Charm++: scheduler running in netpoll mode. Info: NAMD 2.6 for Linux-amd64-Clustermatic-TCP Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: and send feedback or bug reports to namd@ks.uiuc.edu Info: Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 50900 for net-linux-amd64-clustermatic-tcp-iccstatic Info: Built Fri Sep 29 12:00:57 CDT 2006 by david on tbgl-cluster1.physics.uiuc.edu Info: 1 NAMD 2.6 Linux-amd64-Clustermatic-TCP 20 tbgl-cluster1.physics.uiuc.edu david Info: Running on 20 processors. Info: 7620 kB of memory in use. Info: Memory usage based on mallinfo Info: Configuration file is rot-b-long-new.namd TCL: Suspending until startup complete. Info: EXTENDED SYSTEM FILE ../common/rot-eq-2.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 1 Info: NUMBER OF STEPS 20000 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 50 0 0 Info: PERIODIC CELL BASIS 2 0 50 0 Info: PERIODIC CELL BASIS 3 0 0 50 Info: PERIODIC CELL CENTER 0 0 0 Info: LOAD BALANCE STRATEGY Other Info: LDB PERIOD 4000 steps Info: FIRST LDB TIMESTEP 100 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: PME BACKGROUND SCALING 1 Info: MAX SELF PARTITIONS 50 Info: MAX PAIR PARTITIONS 20 Info: SELF PARTITION ATOMS 125 Info: PAIR PARTITION ATOMS 200 Info: PAIR2 PARTITION ATOMS 400 Info: MIN ATOMS PER PATCH 100 Info: VELOCITY FILE ../common/rot-eq-2.vel Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 SCALE FACTOR 1 Info: DCD FILENAME rot-b-long-new.dcd Info: DCD FREQUENCY 100 Info: DCD FIRST STEP 100 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME rot-b-long-new.xst Info: XST FREQUENCY 100 Info: NO VELOCITY DCD OUTPUT Info: OUTPUT FILENAME rot-b-long-new Info: BINARY OUTPUT FILES WILL BE USED Info: RESTART FILENAME rot-b-long-new.restart Info: RESTART FREQUENCY 100 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 5 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 21.5 Info: ENERGY OUTPUT STEPS 100 Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL Info: TIMING OUTPUT STEPS 100 Info: TCL GLOBAL FORCES ACTIVE Info: TCL GLOBAL FORCES SCRIPT rot-b-new.tcl Info: LANGEVIN DYNAMICS ACTIVE Info: LANGEVIN TEMPERATURE 288 Info: LANGEVIN DAMPING COEFFICIENT IS 1 INVERSE PS Info: LANGEVIN DYNAMICS NOT APPLIED TO HYDROGENS Info: PARTICLE MESH EWALD (PME) ACTIVE Info: PME TOLERANCE 1e-06 Info: PME EWALD COEFFICIENT 0.257952 Info: PME INTERPOLATION ORDER 4 Info: PME GRID DIMENSIONS 48 48 48 Info: PME MAXIMUM GRID SPACING 1.5 Info: Attempting to read FFTW data from FFTW_NAMD_2.6_Linux-amd64-Clustermatic-TCP.txt Info: Optimizing 6 FFT steps. 1... 2... 3... 4... 5... 6... Done. Info: Writing FFTW data to FFTW_NAMD_2.6_Linux-amd64-Clustermatic-TCP.txt Info: FULL ELECTROSTATIC EVALUATION FREQUENCY 4 Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: NONBONDED FORCES EVALUATED EVERY 2 STEPS Info: RANDOM NUMBER SEED 1163572946 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB ../common/ubiquitin_solvate.pdb Info: STRUCTURE FILE ../common/ubiquitin_solvate.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS ../common/par_all27_na.inp Info: PARAMETERS ../common/par_all27_prot_lipid.inp Info: USING ARITHMETIC MEAN TO COMBINE L-J SIGMA PARAMETERS Info: BINARY COORDINATES ../common/rot-eq-2.coor Warning: DUPLICATE ANGLE ENTRY FOR CPH1-NR1-CPH2 PREVIOUS VALUES k=130 theta0=107 k_ub=0 r_ub=0 USING VALUES k=130 theta0=107.5 k_ub=0 r_ub=0 Warning: DUPLICATE vdW ENTRY FOR DUM PREVIOUS VALUES sigma=1.7818 epsilon=0 sigma14=1.7818 epsilon14=0 USING VALUES sigma=0 epsilon=0 sigma14=0 epsilon14=0 Info: SUMMARY OF PARAMETERS: Info: 298 BONDS Info: 729 ANGLES Info: 1145 DIHEDRAL Info: 84 IMPROPER Info: 0 CROSSTERM Info: 168 VDW Info: 0 VDW_PAIRS Info: **************************** Info: STRUCTURE SUMMARY: Info: 11317 ATOMS Info: 7961 BONDS Info: 5619 ANGLES Info: 3293 DIHEDRALS Info: 204 IMPROPERS Info: 0 CROSSTERMS Info: 0 EXCLUSIONS Info: 33951 DEGREES OF FREEDOM Info: 3964 HYDROGEN GROUPS Info: TOTAL MASS = 69132.6 amu Info: TOTAL CHARGE = 1.0021e-06 e Info: ***************************** Info: Entering startup phase 0 with 7620 kB of memory in use. Info: Entering startup phase 1 with 7620 kB of memory in use. Info: Entering startup phase 2 with 9092 kB of memory in use. Info: Entering startup phase 3 with 9092 kB of memory in use. Info: PATCH GRID IS 2 (PERIODIC) BY 2 (PERIODIC) BY 2 (PERIODIC) Info: REMOVING COM VELOCITY -0.0715685 0.0080218 -0.0901703 Info: LARGEST PATCH (7) HAS 1504 ATOMS Info: CREATING 1976 COMPUTE OBJECTS Info: Entering startup phase 4 with 11276 kB of memory in use. Info: PME using 16 and 16 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 1 2 3 5 6 7 9 10 11 12 ... Info: PME TRANS LOCATIONS: 1 2 3 5 6 7 9 10 11 12 ... Info: Entering startup phase 5 with 11276 kB of memory in use. Info: Entering startup phase 6 with 11276 kB of memory in use. Measuring processor speeds... Done. Info: Entering startup phase 7 with 11276 kB of memory in use. Info: CREATING 1976 COMPUTE OBJECTS Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625 Info: NONBONDED TABLE SIZE: 769 POINTS TCL: Linear acceleration applied: (10 0 0) Ang*ps^-2 TCL: Angular acceleration applied: (0 0 1) Rad*ps^-2 Info: Entering startup phase 8 with 12256 kB of memory in use. Info: Finished startup with 12256 kB of memory in use. TCL: Center of mass = -0.192638367627 0.243249895589 -0.11600245128 TCL: atom 1: phi = -0.593067026911 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 3320.9226 2485.4973 369.2281 41.8925 -45062.6110 4213.7486 0.0000 0.0000 9511.9860 -25119.3360 281.9740 -24978.2453 -24978.2453 281.9740 448.5697 -1937.0307 125000.0000 448.5697 -1937.0307 OPENING EXTENDED SYSTEM TRAJECTORY FILE TCL: Center of mass = -0.192480341339 0.243106254146 -0.115983413019 TCL: atom 1: phi = -0.592587509643 TCL: Center of mass = -0.192303179055 0.24294091174 -0.115946763421 TCL: atom 1: phi = -0.592001454151 TCL: Center of mass = -0.19214642138 0.242775232679 -0.115904842181 TCL: atom 1: phi = -0.591533516103 TCL: Center of mass = -0.191981780888 0.242576246743 -0.115843002451 TCL: atom 1: phi = -0.591033766443 TCL: Center of mass = -0.19183831943 0.242377215893 -0.115797999788 TCL: atom 1: phi = -0.590602621487 TCL: Center of mass = -0.191708138879 0.242163620744 -0.115711722493 TCL: atom 1: phi = -0.590197642449 TCL: Center of mass = -0.191605951544 0.241986607803 -0.115637679408 TCL: atom 1: phi = -0.589854346653 TCL: Center of mass = -0.19149432301 0.241821982037 -0.115543200469 TCL: atom 1: phi = -0.589385256492 TCL: Center of mass = -0.191374540432 0.241700798445 -0.115455264225 TCL: atom 1: phi = -0.589068308784 TCL: Center of mass = -0.191218069304 0.241594813641 -0.115339586831 TCL: atom 1: phi = -0.588739963396 TCL: Center of mass = -0.191016151049 0.241519257725 -0.115219610967 TCL: atom 1: phi = -0.588549291 TCL: Center of mass = -0.190738294304 0.241431005604 -0.115094110076 TCL: atom 1: phi = -0.588461684092 TCL: Center of mass = -0.19041966461 0.241337617039 -0.114968745488 TCL: atom 1: phi = -0.588622159965 TCL: Center of mass = -0.190061654455 0.241228374529 -0.114837735667 TCL: atom 1: phi = -0.588936084306 TCL: Center of mass = -0.189696676298 0.241118783313 -0.114718831084 TCL: atom 1: phi = -0.589582372219 TCL: Center of mass = -0.189325351589 0.240998049363 -0.114568623054 TCL: atom 1: phi = -0.590382634645 TCL: Center of mass = -0.188956010939 0.24090219919 -0.11443416961 TCL: atom 1: phi = -0.591416225187 TCL: Center of mass = -0.188590302919 0.240813304805 -0.114283096403 TCL: atom 1: phi = -0.592426960084 TCL: Center of mass = -0.188234881367 0.240791576714 -0.114165336135 TCL: atom 1: phi = -0.59347889671 TCL: Center of mass = -0.18788482019 0.240785093917 -0.114059294399 TCL: atom 1: phi = -0.59431193832 TCL: Center of mass = -0.187562846184 0.24079721031 -0.113979660437 TCL: atom 1: phi = -0.595137725914 TCL: Center of mass = -0.18724580038 0.240812314262 -0.113907110831 TCL: atom 1: phi = -0.595813066241 TCL: Center of mass = -0.186976884416 0.240861065076 -0.113845771633 TCL: atom 1: phi = -0.596496891952 TCL: Center of mass = -0.186751308228 0.240883946452 -0.113779694367 TCL: atom 1: phi = -0.597085142809 TCL: Center of mass = -0.186612593248 0.240885253331 -0.113726650486 TCL: atom 1: phi = -0.597636107467 TCL: Center of mass = -0.186525658053 0.240870447626 -0.113673596595 TCL: atom 1: phi = -0.598143855569 TCL: Center of mass = -0.186502323004 0.240834040057 -0.113627875995 TCL: atom 1: phi = -0.598530315674 TCL: Center of mass = -0.186495897821 0.240778455856 -0.113585207693 TCL: atom 1: phi = -0.598757124409 TCL: Center of mass = -0.186526813817 0.240746719161 -0.113559819103 TCL: atom 1: phi = -0.59891688086 TCL: Center of mass = -0.186550159324 0.240719481617 -0.113549518095 TCL: atom 1: phi = -0.598911362525 TCL: Center of mass = -0.186586592944 0.240727167037 -0.113553231419 TCL: atom 1: phi = -0.598878663322 TCL: Center of mass = -0.186626581412 0.240768565246 -0.113558306544 TCL: atom 1: phi = -0.598790120038 TCL: Center of mass = -0.186675844025 0.240815876435 -0.113554150961 TCL: atom 1: phi = -0.598827048641 TCL: Center of mass = -0.186706124035 0.240870421846 -0.113547652392 TCL: atom 1: phi = -0.598966203944 TCL: Center of mass = -0.186742932821 0.240898351243 -0.113534660102 TCL: atom 1: phi = -0.599330001257 TCL: Center of mass = -0.186753926776 0.240885153262 -0.113494935732 TCL: atom 1: phi = -0.599767623845 TCL: Center of mass = -0.186769068724 0.24085268879 -0.113435604351 TCL: atom 1: phi = -0.600441387292 TCL: Center of mass = -0.186744377026 0.240777863537 -0.113377815693 TCL: atom 1: phi = -0.601211896086 TCL: Center of mass = -0.186664076773 0.240692950273 -0.113316505922 TCL: atom 1: phi = -0.602038469794 TCL: Center of mass = -0.186529734041 0.240604226305 -0.113244344993 TCL: atom 1: phi = -0.602727883541 TCL: Center of mass = -0.186366370511 0.240531843595 -0.113168186931 TCL: atom 1: phi = -0.603348715112 TCL: Center of mass = -0.186154912844 0.240445611483 -0.113079757643 TCL: atom 1: phi = -0.603699466434 TCL: Center of mass = -0.185939422026 0.240366213863 -0.112984540821 TCL: atom 1: phi = -0.603953100852 TCL: Center of mass = -0.185716237007 0.240253489229 -0.112882371898 TCL: atom 1: phi = -0.603966989761 TCL: Center of mass = -0.185533368895 0.240142148154 -0.112765481573 TCL: atom 1: phi = -0.603948545974 TCL: Center of mass = -0.185345959097 0.239997738045 -0.112625043718 TCL: atom 1: phi = -0.60386661099 TCL: Center of mass = -0.185163640609 0.239865226044 -0.112495110175 TCL: atom 1: phi = -0.603769793476 TCL: Center of mass = -0.18497375147 0.239689023344 -0.112349929682 TCL: atom 1: phi = -0.603552272366 TCL: Center of mass = -0.184804662895 0.239498402252 -0.11221641594 TCL: atom 1: phi = -0.603306323205 TCL: Center of mass = -0.184622821917 0.239268921288 -0.11210031818 TCL: atom 1: phi = -0.602965173921 TCL: Center of mass = -0.184461405353 0.239039793633 -0.112012443003 TCL: atom 1: phi = -0.602643842898 TCL: Center of mass = -0.184296359273 0.238797733599 -0.111919732348 TCL: atom 1: phi = -0.602210541591 TCL: Center of mass = -0.184157319472 0.23856735897 -0.111852655239 TCL: atom 1: phi = -0.601816037768 TCL: Center of mass = -0.184043713326 0.238333009732 -0.111785754556 TCL: atom 1: phi = -0.601423769394 TCL: Center of mass = -0.18397472173 0.238134039859 -0.111711228774 TCL: atom 1: phi = -0.601228856181 TCL: Center of mass = -0.183927347189 0.237954989739 -0.111629858486 TCL: atom 1: phi = -0.601148829316 TCL: Center of mass = -0.183865291752 0.237791994192 -0.111557812127 TCL: atom 1: phi = -0.60136026205 TCL: Center of mass = -0.183772884938 0.237631974886 -0.111487712364 TCL: atom 1: phi = -0.601648022697 TCL: Center of mass = -0.183640667283 0.237499288992 -0.111420142816 TCL: atom 1: phi = -0.602133717882 TCL: Center of mass = -0.183449494192 0.237366472523 -0.11135072436 TCL: atom 1: phi = -0.602508036133 TCL: Center of mass = -0.183219363065 0.237276941679 -0.111290285198 TCL: atom 1: phi = -0.602952220166 TCL: Center of mass = -0.182958718618 0.237196867267 -0.111233422486 TCL: atom 1: phi = -0.603265246118 TCL: Center of mass = -0.18269197831 0.237143470134 -0.111157666661 TCL: atom 1: phi = -0.603506108263 TCL: Center of mass = -0.182423164403 0.237118927047 -0.111068684442 TCL: atom 1: phi = -0.603476523657 TCL: Center of mass = -0.182200552282 0.237141891074 -0.110982480991 TCL: atom 1: phi = -0.603336426797 TCL: Center of mass = -0.181974032002 0.237175410575 -0.110886414608 TCL: atom 1: phi = -0.602912250925 TCL: Center of mass = -0.181722420756 0.237254827574 -0.110813972452 TCL: atom 1: phi = -0.602434985391 TCL: Center of mass = -0.181439408914 0.237346204602 -0.110747907028 TCL: atom 1: phi = -0.601743308409 TCL: Center of mass = -0.181152479937 0.237465157749 -0.110716756082 TCL: atom 1: phi = -0.601058226099 TCL: Center of mass = -0.180850350609 0.237586799436 -0.110683980027 TCL: atom 1: phi = -0.600172930148 TCL: Center of mass = -0.18056258604 0.237722363974 -0.110669886389 TCL: atom 1: phi = -0.599289722087 TCL: Center of mass = -0.180270633624 0.237855008231 -0.110642619615 TCL: atom 1: phi = -0.598162817224 TCL: Center of mass = -0.180013218452 0.237991487597 -0.110629197234 TCL: atom 1: phi = -0.597141262321 TCL: Center of mass = -0.179780389244 0.238115816241 -0.110587939263 TCL: atom 1: phi = -0.595980452579 TCL: Center of mass = -0.179579358579 0.238256815896 -0.11053443413 TCL: atom 1: phi = -0.595074122925 TCL: Center of mass = -0.179389203868 0.238387137548 -0.110464009283 TCL: atom 1: phi = -0.594205195761 TCL: Center of mass = -0.179186248709 0.238536964902 -0.110409936675 TCL: atom 1: phi = -0.593711582863 TCL: Center of mass = -0.178961925216 0.238687247282 -0.11035847443 TCL: atom 1: phi = -0.593361503079 TCL: Center of mass = -0.178698809074 0.238855408737 -0.110316913501 TCL: atom 1: phi = -0.593403791356 TCL: Center of mass = -0.17839994168 0.239025943283 -0.110278952765 TCL: atom 1: phi = -0.593540759799 TCL: Center of mass = -0.17805592307 0.239188647885 -0.110254620128 TCL: atom 1: phi = -0.593999930043 TCL: Center of mass = -0.177691979018 0.239322261235 -0.110236887207 TCL: atom 1: phi = -0.594482665847 TCL: Center of mass = -0.177316765112 0.239459534926 -0.110253001466 TCL: atom 1: phi = -0.595219268974 TCL: Center of mass = -0.17691964746 0.239549831531 -0.110291590253 TCL: atom 1: phi = -0.595878535871 TCL: Center of mass = -0.176558777741 0.239638580322 -0.110356583151 TCL: atom 1: phi = -0.59664514926 TCL: Center of mass = -0.176199188118 0.239684245895 -0.110431063009 TCL: atom 1: phi = -0.597276634535 TCL: Center of mass = -0.175832551063 0.239723734403 -0.110523436786 TCL: atom 1: phi = -0.597974563849 TCL: Center of mass = -0.175421484283 0.239765469153 -0.110621901036 TCL: atom 1: phi = -0.598528188492 TCL: Center of mass = -0.174977841546 0.239824454828 -0.110727498936 TCL: atom 1: phi = -0.599109389365 TCL: Center of mass = -0.174495832983 0.239879026398 -0.110832492038 TCL: atom 1: phi = -0.599471561056 TCL: Center of mass = -0.173984396329 0.239919499891 -0.110940806982 TCL: atom 1: phi = -0.59979193615 TCL: Center of mass = -0.17346519315 0.239912956776 -0.111035187324 TCL: atom 1: phi = -0.599889569954 TCL: Center of mass = -0.172946975508 0.239894398295 -0.111119802503 TCL: atom 1: phi = -0.599968856254 TCL: Center of mass = -0.172452321855 0.239822922294 -0.11118407464 TCL: atom 1: phi = -0.599741972627 TCL: Center of mass = -0.171998314052 0.239716344752 -0.111232237306 TCL: atom 1: phi = -0.599575973897 TCL: Center of mass = -0.171576074882 0.239579027509 -0.111266672495 TCL: atom 1: phi = -0.599332448766 TCL: Center of mass = -0.171149198668 0.239453026463 -0.111287954226 TCL: atom 1: phi = -0.59926629306 TCL: Center of mass = -0.170692954172 0.239327716654 -0.111295649583 TCL: atom 1: phi = -0.599285910859 TCL: Center of mass = -0.170205832834 0.239220315732 -0.11130203153 TCL: atom 1: phi = -0.599582557187 TCL: Center of mass = -0.169674682442 0.239130831542 -0.111312722341 TCL: atom 1: phi = -0.600038539294 TCL: Center of mass = -0.169121512312 0.239077912275 -0.111339181135 TCL: atom 1: phi = -0.600784477176 Info: Initial time: 20 CPUs 0.0807714 s/step 0.934855 days/ns 13188 kB memory TIMING: 100 CPU: 5.41618, 0.0536018/step Wall: 8.73314, 0.0834327/step, 0.461198 hours remaining, 13188 kB of memory in use. ENERGY: 100 3337.9934 2393.4213 372.0535 37.7361 -44835.1639 4095.6024 0.0000 0.0000 9458.2325 -25140.1247 280.3805 -24997.7540 -24998.5927 281.0545 690.7748 -1789.1063 125000.0000 -1856.0124 -1855.9921 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE AT STEP 100 WRITING COORDINATES TO RESTART FILE AT STEP 100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = -0.168574499059 0.239051058753 -0.111370461769 TCL: atom 1: phi = -0.601548987566 TCL: Center of mass = -0.168050559851 0.239027940993 -0.111402345156 TCL: atom 1: phi = -0.602472340967 TCL: Center of mass = -0.167550814464 0.238999756386 -0.111444504242 TCL: atom 1: phi = -0.603347711656 TCL: Center of mass = -0.167079822956 0.238973697978 -0.111507468438 TCL: atom 1: phi = -0.604357654614 TCL: Center of mass = -0.166619532626 0.238932817816 -0.111568062979 TCL: atom 1: phi = -0.605317532508 TCL: Center of mass = -0.166145758596 0.238912668806 -0.11168360487 TCL: atom 1: phi = -0.606307604239 TCL: Center of mass = -0.165646953174 0.238909801342 -0.111816396729 TCL: atom 1: phi = -0.607239606164 TCL: Center of mass = -0.165142654086 0.238932139052 -0.111968314493 TCL: atom 1: phi = -0.608225543842 TCL: Center of mass = -0.164616608092 0.23898742264 -0.112148398911 TCL: atom 1: phi = -0.609128152096 TCL: Center of mass = -0.164061182356 0.239096787266 -0.112356541384 TCL: atom 1: phi = -0.609985443501 TCL: Center of mass = -0.163494872682 0.239208649081 -0.112562576299 TCL: atom 1: phi = -0.61060297863 TCL: Center of mass = -0.162952337157 0.239331464571 -0.112778016889 TCL: atom 1: phi = -0.611097647718 TCL: Center of mass = -0.162417983787 0.239444116171 -0.112993427586 TCL: atom 1: phi = -0.61122718211 TCL: Center of mass = -0.161921566871 0.239540260185 -0.113215048414 TCL: atom 1: phi = -0.611205232669 TCL: Center of mass = -0.161457483304 0.239608573023 -0.113409427003 TCL: atom 1: phi = -0.610798567239 TCL: Center of mass = -0.161023304967 0.239670033406 -0.113619895588 TCL: atom 1: phi = -0.610294901055 TCL: Center of mass = -0.160601597369 0.239704453963 -0.113812668304 TCL: atom 1: phi = -0.609731222009 TCL: Center of mass = -0.160197113275 0.239735350136 -0.114022901251 TCL: atom 1: phi = -0.609311641056 TCL: Center of mass = -0.159761324942 0.239768966255 -0.114234769823 TCL: atom 1: phi = -0.608921651833 TCL: Center of mass = -0.159315133814 0.239836793475 -0.114451939572 TCL: atom 1: phi = -0.608805710853 TCL: Center of mass = -0.15886020329 0.239912606447 -0.114663851562 TCL: atom 1: phi = -0.60879294644 TCL: Center of mass = -0.158421095273 0.240039552285 -0.114881281914 TCL: atom 1: phi = -0.609040823302 TCL: Center of mass = -0.157956841733 0.240151234841 -0.115082740891 TCL: atom 1: phi = -0.609340154106 TCL: Center of mass = -0.157489982611 0.240307283039 -0.115301914595 TCL: atom 1: phi = -0.609804113617 TCL: Center of mass = -0.156988258855 0.240456704574 -0.11552977178 TCL: atom 1: phi = -0.610176850182 TCL: Center of mass = -0.156457342127 0.240615644222 -0.115759579452 TCL: atom 1: phi = -0.610659027947 TCL: Center of mass = -0.155886035894 0.240768616482 -0.115990554936 TCL: atom 1: phi = -0.611053603764 TCL: Center of mass = -0.155280228611 0.240946488111 -0.116233080542 TCL: atom 1: phi = -0.611482195007 TCL: Center of mass = -0.15461736192 0.241130805773 -0.116474003309 TCL: atom 1: phi = -0.611772868196 TCL: Center of mass = -0.153912181223 0.241318871864 -0.116717775363 TCL: atom 1: phi = -0.61212201219 TCL: Center of mass = -0.153171856171 0.241493027971 -0.116960013043 TCL: atom 1: phi = -0.612346588653 TCL: Center of mass = -0.152417870435 0.241697689652 -0.117187164756 TCL: atom 1: phi = -0.612578626121 TCL: Center of mass = -0.151639246726 0.241874796212 -0.117408279834 TCL: atom 1: phi = -0.61260585254 TCL: Center of mass = -0.150858732161 0.242054885543 -0.11760928311 TCL: atom 1: phi = -0.612535804505 TCL: Center of mass = -0.150033419404 0.242221143914 -0.117805997038 TCL: atom 1: phi = -0.612215747588 TCL: Center of mass = -0.149197260872 0.242371120137 -0.118001163819 TCL: atom 1: phi = -0.611887647402 TCL: Center of mass = -0.148327812391 0.242482572296 -0.118183878425 TCL: atom 1: phi = -0.61139422342 TCL: Center of mass = -0.147422466399 0.242583123538 -0.118348115538 TCL: atom 1: phi = -0.611034274512 TCL: Center of mass = -0.146518524 0.242660639852 -0.118507049727 TCL: atom 1: phi = -0.610628901356 TCL: Center of mass = -0.145632809668 0.242722120875 -0.118633805061 TCL: atom 1: phi = -0.610477360701 TCL: Center of mass = -0.14475329968 0.242766495029 -0.118736702403 TCL: atom 1: phi = -0.610449210597 TCL: Center of mass = -0.143902877574 0.242821413851 -0.118819262372 TCL: atom 1: phi = -0.610757857734 TCL: Center of mass = -0.143057343657 0.242861345134 -0.118888214891 TCL: atom 1: phi = -0.611171831063 TCL: Center of mass = -0.142231637335 0.242922620901 -0.118940916206 TCL: atom 1: phi = -0.611851748006 TCL: Center of mass = -0.14137705492 0.242973770309 -0.118995205595 TCL: atom 1: phi = -0.612653012496 TCL: Center of mass = -0.140497278359 0.243056000725 -0.119028700186 TCL: atom 1: phi = -0.613664424689 TCL: Center of mass = -0.139589995423 0.243133019926 -0.119051892002 TCL: atom 1: phi = -0.614630217843 TCL: Center of mass = -0.138694871947 0.243223897438 -0.119061498713 TCL: atom 1: phi = -0.615747359228 TCL: Center of mass = -0.137787382647 0.243310261372 -0.119066180413 TCL: atom 1: phi = -0.616678527334 TCL: Center of mass = -0.136862616369 0.243405450258 -0.119050663342 TCL: atom 1: phi = -0.617697162906 TCL: Center of mass = -0.135952041875 0.243494008216 -0.119030509372 TCL: atom 1: phi = -0.618555185472 TCL: Center of mass = -0.135063471243 0.243613568287 -0.118999837301 TCL: atom 1: phi = -0.619447167462 TCL: Center of mass = -0.134171000631 0.243721273332 -0.118964092879 TCL: atom 1: phi = -0.620126564339 TCL: Center of mass = -0.133278557855 0.243819597953 -0.118917345504 TCL: atom 1: phi = -0.620697590109 TCL: Center of mass = -0.132366640981 0.243918803769 -0.118851628465 TCL: atom 1: phi = -0.620999679681 TCL: Center of mass = -0.131442624523 0.244024549276 -0.118788298736 TCL: atom 1: phi = -0.621222139341 TCL: Center of mass = -0.130483303541 0.244137401472 -0.118696519794 TCL: atom 1: phi = -0.621182163901 TCL: Center of mass = -0.129507735592 0.244268937098 -0.118600175722 TCL: atom 1: phi = -0.621159734782 TCL: Center of mass = -0.12850663965 0.244384198397 -0.118511333745 TCL: atom 1: phi = -0.620945821173 TCL: Center of mass = -0.127520238429 0.244508812121 -0.118426733233 TCL: atom 1: phi = -0.620891876897 TCL: Center of mass = -0.126549149759 0.244612490161 -0.1183392446 TCL: atom 1: phi = -0.620834424436 TCL: Center of mass = -0.125646721245 0.244727813295 -0.118261942723 TCL: atom 1: phi = -0.621057746513 TCL: Center of mass = -0.124774141865 0.244852118876 -0.118179046025 TCL: atom 1: phi = -0.621355360804 TCL: Center of mass = -0.123931943953 0.244962011142 -0.118097027925 TCL: atom 1: phi = -0.621926622639 TCL: Center of mass = -0.123079006591 0.245050938359 -0.118009652754 TCL: atom 1: phi = -0.622538928211 TCL: Center of mass = -0.122253728841 0.245145734814 -0.117933945191 TCL: atom 1: phi = -0.62328558011 TCL: Center of mass = -0.121404046902 0.245257783231 -0.117856672743 TCL: atom 1: phi = -0.623950348889 TCL: Center of mass = -0.120563588863 0.245391076222 -0.117748689849 TCL: atom 1: phi = -0.624693712265 TCL: Center of mass = -0.119718417038 0.245523457618 -0.117627452734 TCL: atom 1: phi = -0.625202157712 TCL: Center of mass = -0.118896119576 0.245670107411 -0.117495705053 TCL: atom 1: phi = -0.625611349114 TCL: Center of mass = -0.118085327814 0.245796243647 -0.117329926459 TCL: atom 1: phi = -0.625671205333 TCL: Center of mass = -0.117337280146 0.245921218876 -0.117158168157 TCL: atom 1: phi = -0.625625188916 TCL: Center of mass = -0.116604378664 0.246025947859 -0.116987203191 TCL: atom 1: phi = -0.625204337446 TCL: Center of mass = -0.115896400048 0.246159167669 -0.116830445783 TCL: atom 1: phi = -0.62471255436 TCL: Center of mass = -0.115163420769 0.24626703115 -0.116707110439 TCL: atom 1: phi = -0.623871056051 TCL: Center of mass = -0.114415416528 0.246380590212 -0.116618257607 TCL: atom 1: phi = -0.622967487427 TCL: Center of mass = -0.113610185556 0.24646743826 -0.116573134083 TCL: atom 1: phi = -0.621834938355 TCL: Center of mass = -0.112762858603 0.246561094331 -0.116563602434 TCL: atom 1: phi = -0.620755641883 TCL: Center of mass = -0.111878446201 0.246627019234 -0.11658579128 TCL: atom 1: phi = -0.619591777722 TCL: Center of mass = -0.110994929295 0.246694107108 -0.116606361086 TCL: atom 1: phi = -0.618623088016 TCL: Center of mass = -0.110107726495 0.2467364794 -0.116640034705 TCL: atom 1: phi = -0.617735583859 TCL: Center of mass = -0.109252363525 0.24678319028 -0.116699798615 TCL: atom 1: phi = -0.617214816378 TCL: Center of mass = -0.108401321064 0.246787272415 -0.116755625685 TCL: atom 1: phi = -0.616930868716 TCL: Center of mass = -0.1075619497 0.246804276992 -0.116841733028 TCL: atom 1: phi = -0.617180613074 TCL: Center of mass = -0.106704756891 0.246790394556 -0.116957277554 TCL: atom 1: phi = -0.617708878764 TCL: Center of mass = -0.105817979117 0.246753496735 -0.117131048023 TCL: atom 1: phi = -0.618706972957 TCL: Center of mass = -0.104884991357 0.246696923908 -0.117343992438 TCL: atom 1: phi = -0.619874021752 TCL: Center of mass = -0.103946670057 0.246649651055 -0.117561096189 TCL: atom 1: phi = -0.621431950001 TCL: Center of mass = -0.10296621273 0.24659561997 -0.11777536612 TCL: atom 1: phi = -0.623026716597 TCL: Center of mass = -0.102000364026 0.246550021131 -0.11799521812 TCL: atom 1: phi = -0.624855427732 TCL: Center of mass = -0.10104604394 0.246487948523 -0.118210864255 TCL: atom 1: phi = -0.62655363355 TCL: Center of mass = -0.100120472895 0.246414322693 -0.118395032813 TCL: atom 1: phi = -0.628242172548 TCL: Center of mass = -0.0992302454631 0.246336883014 -0.118541498489 TCL: atom 1: phi = -0.629673578233 TCL: Center of mass = -0.0983960039766 0.246255363869 -0.118667691756 TCL: atom 1: phi = -0.630990127546 TCL: Center of mass = -0.0975594652439 0.246190773856 -0.118782135779 TCL: atom 1: phi = -0.631996047972 TCL: Center of mass = -0.0967153896887 0.246130570995 -0.118896449141 TCL: atom 1: phi = -0.632860720565 TCL: Center of mass = -0.0958276271798 0.246061077668 -0.119001192328 TCL: atom 1: phi = -0.633392628255 TCL: Center of mass = -0.094909358005 0.246010277696 -0.119126263596 TCL: atom 1: phi = -0.633737420099 LDB: LOAD: AVG 1.51507 MAX 5.32824 MSGS: TOTAL 80 MAXC 8 MAXP 10 None Info: Adjusted background load on 16 nodes. Info: 419 of 1920 computes have background load > 0.894802 LDB: LOAD: AVG 1.7896 MAX 5.32824 MSGS: TOTAL 80 MAXC 8 MAXP 10 Alg7 Warning: 1 processors are overloaded due to high background load. LDB: LOAD: AVG 1.7896 MAX 5.32824 MSGS: TOTAL 80 MAXC 8 MAXP 10 Alg7 TCL: Center of mass = -0.0939703641998 0.245968491434 -0.119256143805 TCL: atom 1: phi = -0.633754103215 TCL: Center of mass = -0.0930280794562 0.245961584875 -0.11939492941 TCL: atom 1: phi = -0.633639346279 WRITING COORDINATES TO DCD FILE AT STEP 200 WRITING COORDINATES TO RESTART FILE AT STEP 200 FINISHED WRITING RESTART COORDINATES Info: Initial time: 20 CPUs 0.0803315 s/step 0.929763 days/ns 13604 kB memory TIMING: 200 CPU: 10.8274, 0.0541118/step Wall: 17.2222, 0.0848903/step, 0.466897 hours remaining, 13604 kB of memory in use. ENERGY: 200 3317.6381 2353.2314 381.4519 29.8161 -44728.9032 4070.7249 0.0000 0.0000 9419.9904 -25156.0505 279.2468 -25014.4846 -25011.9981 279.1313 269.2360 -1959.9672 125000.0000 -1990.3791 -1986.2318 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200 WRITING VELOCITIES TO RESTART FILE AT STEP 200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = -0.0920825817836 0.245948240852 -0.119523046184 TCL: atom 1: phi = -0.633283805965 TCL: Center of mass = -0.0911413574931 0.245949868983 -0.119662620878 TCL: atom 1: phi = -0.632931323712 TCL: Center of mass = -0.0901990111147 0.245942986638 -0.119800561528 TCL: atom 1: phi = -0.632457233526 TCL: Center of mass = -0.0892562332388 0.24592407368 -0.119991756238 TCL: atom 1: phi = -0.632088597907 TCL: Center of mass = -0.0882930062695 0.245877097395 -0.120194912024 TCL: atom 1: phi = -0.631708220008 TCL: Center of mass = -0.0873241152549 0.245832539226 -0.120432363797 TCL: atom 1: phi = -0.63154802899 TCL: Center of mass = -0.0863123780994 0.245778142006 -0.120678692195 TCL: atom 1: phi = -0.631452274354 TCL: Center of mass = -0.0852972786385 0.245711540596 -0.120974857593 TCL: atom 1: phi = -0.631569328228 TCL: Center of mass = -0.0842442044861 0.245607047022 -0.121308765701 TCL: atom 1: phi = -0.631764415206 TCL: Center of mass = -0.0831709539713 0.245499700627 -0.121684051219 TCL: atom 1: phi = -0.632056745709 TCL: Center of mass = -0.0820665885796 0.24536624982 -0.122085244082 TCL: atom 1: phi = -0.632264286387 TCL: Center of mass = -0.08097427503 0.24526317254 -0.122505394905 TCL: atom 1: phi = -0.632509714476 TCL: Center of mass = -0.0798692138818 0.245116276602 -0.122915037984 TCL: atom 1: phi = -0.632566966444 TCL: Center of mass = -0.078755113401 0.244986125722 -0.123324969239 TCL: atom 1: phi = -0.632536653444 TCL: Center of mass = -0.0776289648223 0.244855135294 -0.123724564707 TCL: atom 1: phi = -0.632232066919 TCL: Center of mass = -0.0764845676594 0.244743107913 -0.124110878392 TCL: atom 1: phi = -0.631808123774 TCL: Center of mass = -0.0753192294244 0.244631511607 -0.124487773036 TCL: atom 1: phi = -0.631089095366 TCL: Center of mass = -0.0741486529825 0.244538178331 -0.124852587125 TCL: atom 1: phi = -0.630317587317 TCL: Center of mass = -0.0729823175247 0.244454957793 -0.125224056898 TCL: atom 1: phi = -0.629421304245 TCL: Center of mass = -0.0718391036334 0.244413921119 -0.12559487722 TCL: atom 1: phi = -0.628527781271 TCL: Center of mass = -0.0707038325987 0.244379353605 -0.125983910802 TCL: atom 1: phi = -0.627524195842 TCL: Center of mass = -0.0695889879954 0.244404763864 -0.126360339604 TCL: atom 1: phi = -0.626598530407 TCL: Center of mass = -0.0684870205165 0.244436258956 -0.126754657992 TCL: atom 1: phi = -0.625654090659 TCL: Center of mass = -0.0674085844738 0.244505766867 -0.127144229134 TCL: atom 1: phi = -0.62487847911 TCL: Center of mass = -0.066328067842 0.244575631262 -0.127532372602 TCL: atom 1: phi = -0.624197042033 TCL: Center of mass = -0.0652597425577 0.24466214288 -0.127907226059 TCL: atom 1: phi = -0.623789535092 TCL: Center of mass = -0.0642009982594 0.244737049759 -0.12826939397 TCL: atom 1: phi = -0.62353728965 TCL: Center of mass = -0.0631627448341 0.244824218229 -0.128634581911 TCL: atom 1: phi = -0.623616921668 TCL: Center of mass = -0.0621499722061 0.244891236289 -0.129002203272 TCL: atom 1: phi = -0.623854005377 TCL: Center of mass = -0.0611635103736 0.244962580843 -0.129359288578 TCL: atom 1: phi = -0.624435920829 TCL: Center of mass = -0.0601934813547 0.245006984911 -0.129695063411 TCL: atom 1: phi = -0.625169856499 TCL: Center of mass = -0.0592310705573 0.245039035863 -0.130032478637 TCL: atom 1: phi = -0.626112284765 TCL: Center of mass = -0.0582546942832 0.245054574769 -0.130349918247 TCL: atom 1: phi = -0.627053357195 TCL: Center of mass = -0.0572367453181 0.245076134331 -0.130619503996 TCL: atom 1: phi = -0.628098408875 TCL: Center of mass = -0.0561677910816 0.245076498932 -0.130856135737 TCL: atom 1: phi = -0.628938209492 TCL: Center of mass = -0.0550460760683 0.245087393724 -0.131055112933 TCL: atom 1: phi = -0.629700154829 TCL: Center of mass = -0.0538656700922 0.245083176082 -0.131219768549 TCL: atom 1: phi = -0.63014891497 TCL: Center of mass = -0.0526776744129 0.245083581717 -0.131324646483 TCL: atom 1: phi = -0.630535683492 TCL: Center of mass = -0.0514917984634 0.245068242667 -0.131386826231 TCL: atom 1: phi = -0.63059483325 TCL: Center of mass = -0.05032668137 0.245052191729 -0.131378916161 TCL: atom 1: phi = -0.630633064249 TCL: Center of mass = -0.0491730695986 0.245003318836 -0.131302996014 TCL: atom 1: phi = -0.630468543726 TCL: Center of mass = -0.0480386565172 0.244978440424 -0.13117535883 TCL: atom 1: phi = -0.630274406062 TCL: Center of mass = -0.0469148454729 0.244961649703 -0.131024842814 TCL: atom 1: phi = -0.629829040936 TCL: Center of mass = -0.0457749617393 0.244955283797 -0.13086009624 TCL: atom 1: phi = -0.629398190753 TCL: Center of mass = -0.0446041440799 0.244960931351 -0.130690651372 TCL: atom 1: phi = -0.628781322608 TCL: Center of mass = -0.0434234657039 0.244994985503 -0.130507587297 TCL: atom 1: phi = -0.628183747356 TCL: Center of mass = -0.0422219192529 0.245023840542 -0.130337580944 TCL: atom 1: phi = -0.627469961065 TCL: Center of mass = -0.0410413823529 0.24508493751 -0.130155311 TCL: atom 1: phi = -0.626886010905 TCL: Center of mass = -0.0398978419515 0.245151134176 -0.129967413736 TCL: atom 1: phi = -0.626261710635 TCL: Center of mass = -0.0388122547357 0.245205257061 -0.129771950825 TCL: atom 1: phi = -0.62586392585 TCL: Center of mass = -0.0377918641111 0.245244009228 -0.12956905581 TCL: atom 1: phi = -0.625479430055 TCL: Center of mass = -0.0368367036281 0.245263696903 -0.129364688072 TCL: atom 1: phi = -0.625257102037 TCL: Center of mass = -0.0359013087087 0.245275439342 -0.129183962786 TCL: atom 1: phi = -0.625043459027 TCL: Center of mass = -0.0349649338725 0.24527942451 -0.129020017133 TCL: atom 1: phi = -0.624949435248 TCL: Center of mass = -0.0339798978048 0.24524395214 -0.128868826566 TCL: atom 1: phi = -0.624737468257 TCL: Center of mass = -0.0329620682862 0.245204533666 -0.128734244348 TCL: atom 1: phi = -0.624562390174 TCL: Center of mass = -0.031875548682 0.245121794485 -0.128609170723 TCL: atom 1: phi = -0.62420799045 TCL: Center of mass = -0.0307532025951 0.245004165161 -0.128475332069 TCL: atom 1: phi = -0.623809254491 TCL: Center of mass = -0.0296172772167 0.24485541535 -0.128325769409 TCL: atom 1: phi = -0.623196596981 TCL: Center of mass = -0.0284958564692 0.24467802076 -0.128143147769 TCL: atom 1: phi = -0.622526338246 TCL: Center of mass = -0.0273975329686 0.244469070461 -0.127919318368 TCL: atom 1: phi = -0.621734013392 TCL: Center of mass = -0.0263024051253 0.244263749898 -0.127655329224 TCL: atom 1: phi = -0.62098553757 TCL: Center of mass = -0.0252029150761 0.244034798483 -0.127338775617 TCL: atom 1: phi = -0.620201618626 TCL: Center of mass = -0.0240845871653 0.243813417742 -0.126994585724 TCL: atom 1: phi = -0.619488527193 TCL: Center of mass = -0.0229161446493 0.24357274641 -0.126630977813 TCL: atom 1: phi = -0.618698342688 TCL: Center of mass = -0.0217322770421 0.243330473308 -0.126269110966 TCL: atom 1: phi = -0.618016665401 TCL: Center of mass = -0.0205195926691 0.243065872046 -0.125906422591 TCL: atom 1: phi = -0.617342354655 TCL: Center of mass = -0.0193353352055 0.242812998481 -0.125554065114 TCL: atom 1: phi = -0.616841298989 TCL: Center of mass = -0.0181624728005 0.242545394315 -0.125185602868 TCL: atom 1: phi = -0.616395237418 TCL: Center of mass = -0.0170549867956 0.242290830995 -0.124796179378 TCL: atom 1: phi = -0.616197314772 TCL: Center of mass = -0.0160072884886 0.242027400684 -0.124409186754 TCL: atom 1: phi = -0.616183970326 TCL: Center of mass = -0.01505761333 0.241771231205 -0.124020354251 TCL: atom 1: phi = -0.616502050082 TCL: Center of mass = -0.0141717387174 0.241487868622 -0.123642174528 TCL: atom 1: phi = -0.61695380255 TCL: Center of mass = -0.0133479504573 0.241197160245 -0.123294071766 TCL: atom 1: phi = -0.617715543805 TCL: Center of mass = -0.0125447171929 0.240924336817 -0.12295888953 TCL: atom 1: phi = -0.618531568849 TCL: Center of mass = -0.0117381710958 0.240667184427 -0.122656779919 TCL: atom 1: phi = -0.619398800643 TCL: Center of mass = -0.0109068413688 0.240417343727 -0.12238454471 TCL: atom 1: phi = -0.620098375813 TCL: Center of mass = -0.0100345060333 0.24016626873 -0.122153106506 TCL: atom 1: phi = -0.620671240917 TCL: Center of mass = -0.0091424194829 0.239889298132 -0.121943334308 TCL: atom 1: phi = -0.620958129692 TCL: Center of mass = -0.00823298564799 0.239612150007 -0.121754147312 TCL: atom 1: phi = -0.621125024528 TCL: Center of mass = -0.00732722163002 0.239311108504 -0.121557832029 TCL: atom 1: phi = -0.621048533783 TCL: Center of mass = -0.00641548215987 0.239012629255 -0.121387665892 TCL: atom 1: phi = -0.620927504134 TCL: Center of mass = -0.00550375350728 0.238714045672 -0.12121990574 TCL: atom 1: phi = -0.620652607091 TCL: Center of mass = -0.00457578226321 0.238424388356 -0.121071541223 TCL: atom 1: phi = -0.620325282616 TCL: Center of mass = -0.00360422380381 0.238160190958 -0.120914696904 TCL: atom 1: phi = -0.619783390398 TCL: Center of mass = -0.00260970945399 0.237926647729 -0.120761518174 TCL: atom 1: phi = -0.619142365263 TCL: Center of mass = -0.00159655871823 0.237713079378 -0.120597775007 TCL: atom 1: phi = -0.618255059106 TCL: Center of mass = -0.000582290233317 0.237527626826 -0.120458419559 TCL: atom 1: phi = -0.617318529826 TCL: Center of mass = 0.000433485653813 0.237319131529 -0.120321576513 TCL: atom 1: phi = -0.616258503101 TCL: Center of mass = 0.00143331293386 0.237127629793 -0.120183419802 TCL: atom 1: phi = -0.615245460839 TCL: Center of mass = 0.00240879781698 0.236921340213 -0.120028989607 TCL: atom 1: phi = -0.61424749101 TCL: Center of mass = 0.00337363499641 0.236720223475 -0.119875161101 TCL: atom 1: phi = -0.613504229099 TCL: Center of mass = 0.00429604054309 0.236517573911 -0.119708628293 TCL: atom 1: phi = -0.612922026207 TCL: Center of mass = 0.00522177800343 0.236336853718 -0.11954077484 TCL: atom 1: phi = -0.612629415513 TCL: Center of mass = 0.0061380049002 0.236143229031 -0.119384969934 TCL: atom 1: phi = -0.612470660299 TCL: Center of mass = 0.00702674490694 0.23596184622 -0.119217493361 TCL: atom 1: phi = -0.612483881998 TCL: Center of mass = 0.0079086317237 0.235779637579 -0.119037347331 TCL: atom 1: phi = -0.61247111276 TCL: Center of mass = 0.00879898618652 0.235575939974 -0.118848183564 TCL: atom 1: phi = -0.612531241639 LDB: LOAD: AVG 1.62947 MAX 5.36921 MSGS: TOTAL 80 MAXC 8 MAXP 10 None Warning: 1 processors are overloaded due to high background load. LDB: LOAD: AVG 1.62947 MAX 5.36921 MSGS: TOTAL 80 MAXC 8 MAXP 10 Refine TCL: Center of mass = 0.00970490579024 0.235370337047 -0.118663020009 TCL: atom 1: phi = -0.612451126587 TCL: Center of mass = 0.0106398018951 0.235149168768 -0.118477889267 TCL: atom 1: phi = -0.612363228855 WRITING COORDINATES TO DCD FILE AT STEP 300 WRITING COORDINATES TO RESTART FILE AT STEP 300 FINISHED WRITING RESTART COORDINATES Info: Initial time: 20 CPUs 0.0634416 s/step 0.734278 days/ns 13604 kB memory TIMING: 300 CPU: 16.1885, 0.0536119/step Wall: 23.8976, 0.0667548/step, 0.365297 hours remaining, 13604 kB of memory in use. ENERGY: 300 3296.6468 2372.9940 386.9170 32.8714 -44903.7050 4186.7555 0.0000 0.0000 9505.3742 -25122.1460 281.7780 -24978.7471 -24983.7356 280.0601 675.9146 -1895.6120 125000.0000 -1831.6188 -1833.9415 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300 WRITING VELOCITIES TO RESTART FILE AT STEP 300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 0.0116063350389 0.234896142122 -0.118321943753 TCL: atom 1: phi = -0.61216158791 TCL: Center of mass = 0.0126182917727 0.234634424963 -0.118192590368 TCL: atom 1: phi = -0.612067156723 TCL: Center of mass = 0.013675442975 0.234336681087 -0.118102232464 TCL: atom 1: phi = -0.612018435696 TCL: Center of mass = 0.0148072312371 0.234044804603 -0.11803809919 TCL: atom 1: phi = -0.612093148372 TCL: Center of mass = 0.0159781274576 0.233734280105 -0.118007539711 TCL: atom 1: phi = -0.612137686849 TCL: Center of mass = 0.0171854013716 0.233427802522 -0.117998985694 TCL: atom 1: phi = -0.612234264897 TCL: Center of mass = 0.0184102707897 0.233110248832 -0.117986981114 TCL: atom 1: phi = -0.612156037728 TCL: Center of mass = 0.0196302857957 0.2327884608 -0.117973313914 TCL: atom 1: phi = -0.612003718177 TCL: Center of mass = 0.0208394091874 0.232451581359 -0.117958243553 TCL: atom 1: phi = -0.611653232608 TCL: Center of mass = 0.0220464282809 0.232109100007 -0.117955398319 TCL: atom 1: phi = -0.611263600387 TCL: Center of mass = 0.0232562796028 0.231766224146 -0.117963089279 TCL: atom 1: phi = -0.610818615137 TCL: Center of mass = 0.0244773895182 0.231432166682 -0.117993500331 TCL: atom 1: phi = -0.610598315108 TCL: Center of mass = 0.0257040539328 0.23109365365 -0.118050761708 TCL: atom 1: phi = -0.610514562665 TCL: Center of mass = 0.0269507679413 0.230787592649 -0.118124799911 TCL: atom 1: phi = -0.610707812059 TCL: Center of mass = 0.0281896647016 0.230489299558 -0.118192871912 TCL: atom 1: phi = -0.611053207633 TCL: Center of mass = 0.0294368351194 0.23020390244 -0.118248890609 TCL: atom 1: phi = -0.611627495618 TCL: Center of mass = 0.0306450092548 0.229928148193 -0.118291726626 TCL: atom 1: phi = -0.612252944829 TCL: Center of mass = 0.0318154493802 0.229668111329 -0.118293938439 TCL: atom 1: phi = -0.613011591726 TCL: Center of mass = 0.0329120731372 0.229410301784 -0.118235161233 TCL: atom 1: phi = -0.613727513777 TCL: Center of mass = 0.0339686652158 0.229143960667 -0.118137311483 TCL: atom 1: phi = -0.614460434353 TCL: Center of mass = 0.0350095607867 0.22887863833 -0.118013436683 TCL: atom 1: phi = -0.61517635346 TCL: Center of mass = 0.0360608749963 0.228603286847 -0.117886104752 TCL: atom 1: phi = -0.615864655082 TCL: Center of mass = 0.0371735951381 0.228334637957 -0.11777900153 TCL: atom 1: phi = -0.616497157779 TCL: Center of mass = 0.0383526353278 0.22807266247 -0.11773288282 TCL: atom 1: phi = -0.617164239509 TCL: Center of mass = 0.039612626814 0.227795653829 -0.117726599077 TCL: atom 1: phi = -0.617701914838 TCL: Center of mass = 0.0409333279971 0.22752550283 -0.117733271024 TCL: atom 1: phi = -0.618163221523 TCL: Center of mass = 0.0422667156799 0.227236213534 -0.117738148632 TCL: atom 1: phi = -0.618492481158 TCL: Center of mass = 0.043598437904 0.22693260791 -0.117742972401 TCL: atom 1: phi = -0.618607912324 TCL: Center of mass = 0.0449275477544 0.226568105572 -0.117746053869 TCL: atom 1: phi = -0.618385263434 TCL: Center of mass = 0.0462447379768 0.226172202955 -0.117732179311 TCL: atom 1: phi = -0.61797169511 TCL: Center of mass = 0.0475637905389 0.225746056514 -0.11771680145 TCL: atom 1: phi = -0.617268109878 TCL: Center of mass = 0.0488870039791 0.225310178961 -0.117709894154 TCL: atom 1: phi = -0.616435611213 TCL: Center of mass = 0.0502438435349 0.224863733204 -0.117698159638 TCL: atom 1: phi = -0.615499764784 TCL: Center of mass = 0.0516347864732 0.224451073602 -0.117711520893 TCL: atom 1: phi = -0.614619586104 TCL: Center of mass = 0.0530569861142 0.224040050871 -0.117747352674 TCL: atom 1: phi = -0.613809408897 TCL: Center of mass = 0.054503649361 0.223653977535 -0.117815811405 TCL: atom 1: phi = -0.613084422058 TCL: Center of mass = 0.0559515507964 0.223275830933 -0.117870751613 TCL: atom 1: phi = -0.61243396632 TCL: Center of mass = 0.0573841590857 0.222924753245 -0.117912788917 TCL: atom 1: phi = -0.611849423595 TCL: Center of mass = 0.0587774968534 0.222565536572 -0.117947151954 TCL: atom 1: phi = -0.611264481404 TCL: Center of mass = 0.0601415742509 0.22223932473 -0.117939310031 TCL: atom 1: phi = -0.610681513318 TCL: Center of mass = 0.0614581822974 0.221911983164 -0.117893552874 TCL: atom 1: phi = -0.610004017192 TCL: Center of mass = 0.0627521756894 0.221589720595 -0.117836730702 TCL: atom 1: phi = -0.609348888392 TCL: Center of mass = 0.0640478557235 0.221273682484 -0.11776794104 TCL: atom 1: phi = -0.608737856311 TCL: Center of mass = 0.0653485225302 0.220996417193 -0.117693594355 TCL: atom 1: phi = -0.608134334956 TCL: Center of mass = 0.0666751934451 0.220730455186 -0.11762572321 TCL: atom 1: phi = -0.607552169455 TCL: Center of mass = 0.0680199227706 0.220495741542 -0.117579248395 TCL: atom 1: phi = -0.607006873222 TCL: Center of mass = 0.0694022544174 0.220274773444 -0.117545613769 TCL: atom 1: phi = -0.606392331375 TCL: Center of mass = 0.0708069258781 0.220061164988 -0.117520476245 TCL: atom 1: phi = -0.605737229817 TCL: Center of mass = 0.072228946196 0.219828987232 -0.117497964448 TCL: atom 1: phi = -0.604926159428 TCL: Center of mass = 0.0736472656212 0.219592837088 -0.117453243802 TCL: atom 1: phi = -0.60401517618 TCL: Center of mass = 0.0750606044633 0.219343604686 -0.117400003743 TCL: atom 1: phi = -0.60299267184 TCL: Center of mass = 0.0764631168222 0.219105305148 -0.117355158056 TCL: atom 1: phi = -0.601866202106 TCL: Center of mass = 0.0778733909069 0.21885900644 -0.117318995222 TCL: atom 1: phi = -0.600671796362 TCL: Center of mass = 0.0792970138124 0.218644977456 -0.117314192806 TCL: atom 1: phi = -0.599574351011 TCL: Center of mass = 0.080752036047 0.218414388221 -0.117340923354 TCL: atom 1: phi = -0.598510758825 TCL: Center of mass = 0.0822265380153 0.218182470152 -0.117396397993 TCL: atom 1: phi = -0.597578968776 TCL: Center of mass = 0.0837252867937 0.217939827487 -0.117465476085 TCL: atom 1: phi = -0.59682146372 TCL: Center of mass = 0.0852243774767 0.217702883235 -0.117561785154 TCL: atom 1: phi = -0.596229178159 TCL: Center of mass = 0.0867221352457 0.217437467763 -0.117655029211 TCL: atom 1: phi = -0.595742531097 TCL: Center of mass = 0.0882075094505 0.217186353284 -0.117734073692 TCL: atom 1: phi = -0.595336459914 TCL: Center of mass = 0.0896582144861 0.216955671523 -0.117790217272 TCL: atom 1: phi = -0.595019930034 TCL: Center of mass = 0.0911017144956 0.216766200708 -0.117819032326 TCL: atom 1: phi = -0.594795718863 TCL: Center of mass = 0.0925181746247 0.21658607228 -0.117837091559 TCL: atom 1: phi = -0.594689946872 TCL: Center of mass = 0.0939253856719 0.216434330697 -0.117841524892 TCL: atom 1: phi = -0.594758983698 TCL: Center of mass = 0.0953312601516 0.216281959966 -0.11784186777 TCL: atom 1: phi = -0.59499356548 TCL: Center of mass = 0.0967315980886 0.216155525395 -0.117792318866 TCL: atom 1: phi = -0.595362234234 TCL: Center of mass = 0.0981081117158 0.216029669293 -0.11774113758 TCL: atom 1: phi = -0.595787327523 TCL: Center of mass = 0.099463388671 0.215940943939 -0.117653260772 TCL: atom 1: phi = -0.596245902663 TCL: Center of mass = 0.100803789349 0.215839081771 -0.117531802694 TCL: atom 1: phi = -0.596570103618 TCL: Center of mass = 0.102128582856 0.215783551381 -0.117382534978 TCL: atom 1: phi = -0.596750740271 TCL: Center of mass = 0.103437949589 0.215719240695 -0.117231396718 TCL: atom 1: phi = -0.596779986808 TCL: Center of mass = 0.104757958104 0.215672165456 -0.117080288462 TCL: atom 1: phi = -0.596637855613 TCL: Center of mass = 0.106103016327 0.215639863165 -0.116942158462 TCL: atom 1: phi = -0.596326986763 TCL: Center of mass = 0.107476020498 0.215642193437 -0.116809495491 TCL: atom 1: phi = -0.595974630812 TCL: Center of mass = 0.10887444337 0.215694458345 -0.116693664381 TCL: atom 1: phi = -0.595598830063 TCL: Center of mass = 0.11027952135 0.21577013411 -0.116572285664 TCL: atom 1: phi = -0.595322617901 TCL: Center of mass = 0.111686587589 0.2158515615 -0.116432778641 TCL: atom 1: phi = -0.595096039712 TCL: Center of mass = 0.113078384934 0.215941003281 -0.116268548111 TCL: atom 1: phi = -0.594939060363 TCL: Center of mass = 0.114460841862 0.216010727129 -0.116116409234 TCL: atom 1: phi = -0.594782946218 TCL: Center of mass = 0.115814247479 0.216080643303 -0.115965556662 TCL: atom 1: phi = -0.594681991756 TCL: Center of mass = 0.11717681811 0.216138621337 -0.115820485367 TCL: atom 1: phi = -0.594656624594 TCL: Center of mass = 0.118533695478 0.216214958589 -0.115704974701 TCL: atom 1: phi = -0.59472857192 TCL: Center of mass = 0.119910655013 0.216298755203 -0.115605463058 TCL: atom 1: phi = -0.594861131488 TCL: Center of mass = 0.121297905881 0.216422457617 -0.115525994938 TCL: atom 1: phi = -0.595080251676 TCL: Center of mass = 0.122700563128 0.216544615981 -0.115457604224 TCL: atom 1: phi = -0.595497480589 TCL: Center of mass = 0.124092179953 0.216683351875 -0.115399958616 TCL: atom 1: phi = -0.596076942979 TCL: Center of mass = 0.125490291187 0.216796347434 -0.115314782742 TCL: atom 1: phi = -0.596753605878 TCL: Center of mass = 0.126847299331 0.216889132391 -0.115205772097 TCL: atom 1: phi = -0.597510445239 TCL: Center of mass = 0.128189007003 0.216937728631 -0.115056311304 TCL: atom 1: phi = -0.598207882506 TCL: Center of mass = 0.129496298367 0.2169690198 -0.114877835537 TCL: atom 1: phi = -0.598760717399 TCL: Center of mass = 0.130803955331 0.216969313014 -0.114684596639 TCL: atom 1: phi = -0.599161440324 TCL: Center of mass = 0.132117933302 0.21696727601 -0.114506741988 TCL: atom 1: phi = -0.599397723046 TCL: Center of mass = 0.133476519572 0.216955795074 -0.11433625463 TCL: atom 1: phi = -0.599359455179 TCL: Center of mass = 0.134868784671 0.216947754331 -0.114180413322 TCL: atom 1: phi = -0.599207661919 TCL: Center of mass = 0.136286207863 0.216937668562 -0.114036693336 TCL: atom 1: phi = -0.598898649107 TCL: Center of mass = 0.137692690912 0.216978054245 -0.113892813192 TCL: atom 1: phi = -0.598502705909 TCL: Center of mass = 0.139075085682 0.217017344566 -0.113734553975 TCL: atom 1: phi = -0.598037232014 TCL: Center of mass = 0.14042271871 0.217061053825 -0.113545749608 TCL: atom 1: phi = -0.597567971924 LDB: LOAD: AVG 1.62176 MAX 5.37038 MSGS: TOTAL 80 MAXC 8 MAXP 10 None Warning: 1 processors are overloaded due to high background load. LDB: LOAD: AVG 1.62176 MAX 5.37038 MSGS: TOTAL 80 MAXC 8 MAXP 10 Refine TCL: Center of mass = 0.141743616935 0.217051344463 -0.113327373172 TCL: atom 1: phi = -0.59701250855 TCL: Center of mass = 0.14301747047 0.217016640749 -0.11311106964 TCL: atom 1: phi = -0.596405461284 WRITING COORDINATES TO DCD FILE AT STEP 400 WRITING COORDINATES TO RESTART FILE AT STEP 400 FINISHED WRITING RESTART COORDINATES Info: Benchmark time: 20 CPUs 0.0626677 s/step 0.725321 days/ns 13604 kB memory TIMING: 400 CPU: 21.5587, 0.0537018/step Wall: 30.4919, 0.0659427/step, 0.359021 hours remaining, 13604 kB of memory in use. ENERGY: 400 3273.3149 2431.1199 379.1585 38.8288 -44686.2486 3977.8744 0.0000 0.0000 9500.3888 -25085.5633 281.6302 -24946.0334 -24936.8311 281.4883 416.4485 -2009.6053 125000.0000 -1893.8306 -1896.7562 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400 WRITING VELOCITIES TO RESTART FILE AT STEP 400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 0.144268962232 0.216942801348 -0.112888984171 TCL: atom 1: phi = -0.595719980382 TCL: Center of mass = 0.145542095696 0.216874406893 -0.112703429277 TCL: atom 1: phi = -0.595001607447 TCL: Center of mass = 0.146824274144 0.216781043024 -0.112569711799 TCL: atom 1: phi = -0.594287834705 TCL: Center of mass = 0.148132381689 0.216665863424 -0.112472742338 TCL: atom 1: phi = -0.593614893018 TCL: Center of mass = 0.149453957481 0.216504867878 -0.11241339497 TCL: atom 1: phi = -0.593039244363 TCL: Center of mass = 0.150778541435 0.216344447836 -0.112377185637 TCL: atom 1: phi = -0.592689073664 TCL: Center of mass = 0.152116199231 0.216160122342 -0.112343642771 TCL: atom 1: phi = -0.592514692314 TCL: Center of mass = 0.15344470519 0.215962262331 -0.112316453252 TCL: atom 1: phi = -0.592559837073 TCL: Center of mass = 0.154756652985 0.215733581028 -0.112284987911 TCL: atom 1: phi = -0.592628712248 TCL: Center of mass = 0.156049126404 0.215476123537 -0.112275500101 TCL: atom 1: phi = -0.592703527755 TCL: Center of mass = 0.15736324831 0.215191473452 -0.11227597024 TCL: atom 1: phi = -0.592647332093 TCL: Center of mass = 0.158697015265 0.214886502898 -0.112294928246 TCL: atom 1: phi = -0.592400419183 TCL: Center of mass = 0.160078854229 0.21454387966 -0.112317690139 TCL: atom 1: phi = -0.591869862156 TCL: Center of mass = 0.161523785621 0.214200096993 -0.112376701037 TCL: atom 1: phi = -0.591050848246 TCL: Center of mass = 0.163042900019 0.213857000219 -0.112447913224 TCL: atom 1: phi = -0.589984246641 TCL: Center of mass = 0.164593223973 0.213546291183 -0.112521846755 TCL: atom 1: phi = -0.588696090369 TCL: Center of mass = 0.166186905648 0.213252288765 -0.112577904151 TCL: atom 1: phi = -0.587264368096 TCL: Center of mass = 0.167796335855 0.212991227934 -0.11265520665 TCL: atom 1: phi = -0.585662794852 TCL: Center of mass = 0.1693940053 0.21274903538 -0.112734424461 TCL: atom 1: phi = -0.583848166706 TCL: Center of mass = 0.17097657983 0.212540984792 -0.112826703286 TCL: atom 1: phi = -0.581817567931 TCL: Center of mass = 0.172539199366 0.212356734968 -0.11294367085 TCL: atom 1: phi = -0.579575493046 TCL: Center of mass = 0.17411237485 0.212196802596 -0.113083810784 TCL: atom 1: phi = -0.577226006954 TCL: Center of mass = 0.175694414974 0.212035387027 -0.113254979658 TCL: atom 1: phi = -0.57476628096 TCL: Center of mass = 0.177315996484 0.211910599596 -0.113434617403 TCL: atom 1: phi = -0.572281864608 TCL: Center of mass = 0.178967247937 0.211783328564 -0.11360990833 TCL: atom 1: phi = -0.569854093556 TCL: Center of mass = 0.180638380309 0.211671312695 -0.11380388206 TCL: atom 1: phi = -0.567631194883 TCL: Center of mass = 0.182314660929 0.211564393557 -0.11400771291 TCL: atom 1: phi = -0.565625152969 TCL: Center of mass = 0.183958970562 0.211487041582 -0.114223545839 TCL: atom 1: phi = -0.563974271105 TCL: Center of mass = 0.185568732826 0.21140978833 -0.114443006635 TCL: atom 1: phi = -0.562610370121 TCL: Center of mass = 0.18713945855 0.211326689356 -0.1146811833 TCL: atom 1: phi = -0.561671747798 TCL: Center of mass = 0.188685973757 0.21123897309 -0.114931309811 TCL: atom 1: phi = -0.561027681913 TCL: Center of mass = 0.190194048834 0.211141069511 -0.11521394868 TCL: atom 1: phi = -0.560639217834 TCL: Center of mass = 0.191682037369 0.211005423429 -0.11550687937 TCL: atom 1: phi = -0.560382465604 TCL: Center of mass = 0.193150291309 0.210856803916 -0.115805605039 TCL: atom 1: phi = -0.560286675361 TCL: Center of mass = 0.194626716857 0.210653687763 -0.116055921652 TCL: atom 1: phi = -0.560212190165 TCL: Center of mass = 0.196108898822 0.210430232791 -0.116304913691 TCL: atom 1: phi = -0.560173492242 TCL: Center of mass = 0.197584113782 0.210160417311 -0.116500997152 TCL: atom 1: phi = -0.560146351149 TCL: Center of mass = 0.199037830471 0.209871569378 -0.116697244423 TCL: atom 1: phi = -0.560246601513 TCL: Center of mass = 0.200502503446 0.2095475544 -0.116886780833 TCL: atom 1: phi = -0.560300219879 TCL: Center of mass = 0.201945243795 0.209205112364 -0.117099801256 TCL: atom 1: phi = -0.560337182426 TCL: Center of mass = 0.203390133972 0.20885204901 -0.117322270676 TCL: atom 1: phi = -0.56030400338 TCL: Center of mass = 0.204843136512 0.208496474785 -0.117595347102 TCL: atom 1: phi = -0.560166273031 TCL: Center of mass = 0.206314082528 0.208134728973 -0.117889247239 TCL: atom 1: phi = -0.559895412528 TCL: Center of mass = 0.207792400419 0.207784105827 -0.118205762968 TCL: atom 1: phi = -0.559583477246 TCL: Center of mass = 0.209274320495 0.207426821884 -0.118511093015 TCL: atom 1: phi = -0.559221436345 TCL: Center of mass = 0.210730412384 0.207071514318 -0.118796258016 TCL: atom 1: phi = -0.558939597161 TCL: Center of mass = 0.212192356627 0.206677177199 -0.119047177915 TCL: atom 1: phi = -0.558781998391 TCL: Center of mass = 0.21365067112 0.206297452213 -0.119307046725 TCL: atom 1: phi = -0.558816459874 TCL: Center of mass = 0.215109961489 0.205910482605 -0.119557555547 TCL: atom 1: phi = -0.559042688723 TCL: Center of mass = 0.216581723042 0.205564561154 -0.119832015793 TCL: atom 1: phi = -0.559509439934 TCL: Center of mass = 0.218086198776 0.205244694956 -0.120136137843 TCL: atom 1: phi = -0.560194655222 TCL: Center of mass = 0.219598197866 0.204970832539 -0.120480200992 TCL: atom 1: phi = -0.561046156677 TCL: Center of mass = 0.22111914353 0.204735772788 -0.120853204752 TCL: atom 1: phi = -0.561982140544 TCL: Center of mass = 0.222618045327 0.204556708246 -0.121240785893 TCL: atom 1: phi = -0.563019601508 TCL: Center of mass = 0.224111670227 0.204374688039 -0.121615924472 TCL: atom 1: phi = -0.563992724641 TCL: Center of mass = 0.225579940728 0.204232721216 -0.121969018491 TCL: atom 1: phi = -0.565016816413 TCL: Center of mass = 0.227016478231 0.204090334543 -0.122255462229 TCL: atom 1: phi = -0.565978572767 TCL: Center of mass = 0.22842815384 0.203962276686 -0.122496931614 TCL: atom 1: phi = -0.56691895984 TCL: Center of mass = 0.229836149594 0.203825469116 -0.122698960832 TCL: atom 1: phi = -0.567724511675 TCL: Center of mass = 0.231252189547 0.203725481287 -0.122886657551 TCL: atom 1: phi = -0.568507189997 TCL: Center of mass = 0.232697658021 0.203638887916 -0.123077703662 TCL: atom 1: phi = -0.569166443673 TCL: Center of mass = 0.234165895969 0.20361446334 -0.123301238654 TCL: atom 1: phi = -0.569756157069 TCL: Center of mass = 0.235680143629 0.203628040827 -0.123536687894 TCL: atom 1: phi = -0.570098005705 TCL: Center of mass = 0.237211967899 0.203663937625 -0.123781099532 TCL: atom 1: phi = -0.570187466917 TCL: Center of mass = 0.238731877129 0.203691554602 -0.123997101376 TCL: atom 1: phi = -0.570083043574 TCL: Center of mass = 0.240222713188 0.203732703955 -0.12419398903 TCL: atom 1: phi = -0.569851152997 TCL: Center of mass = 0.241694605555 0.203760152826 -0.124353542148 TCL: atom 1: phi = -0.569462898975 TCL: Center of mass = 0.243134584332 0.203774608433 -0.124486548264 TCL: atom 1: phi = -0.569085136048 TCL: Center of mass = 0.244571536186 0.203763156191 -0.124581877658 TCL: atom 1: phi = -0.56874261146 TCL: Center of mass = 0.245999180402 0.203744175349 -0.124706645434 TCL: atom 1: phi = -0.568579066054 TCL: Center of mass = 0.247447559964 0.203703303865 -0.124860840324 TCL: atom 1: phi = -0.568498890028 TCL: Center of mass = 0.248928586292 0.203683398207 -0.125082982881 TCL: atom 1: phi = -0.568629718386 TCL: Center of mass = 0.250455675024 0.203679068201 -0.125348988751 TCL: atom 1: phi = -0.56887823768 TCL: Center of mass = 0.25198972873 0.203684306225 -0.125661642791 TCL: atom 1: phi = -0.569288152085 TCL: Center of mass = 0.253544901625 0.203685669931 -0.125994994601 TCL: atom 1: phi = -0.569734786526 TCL: Center of mass = 0.255075168744 0.203698746305 -0.126329598808 TCL: atom 1: phi = -0.570290414098 TCL: Center of mass = 0.256581073389 0.203707373593 -0.126660482008 TCL: atom 1: phi = -0.570812032234 TCL: Center of mass = 0.258060666548 0.203712613298 -0.126971120417 TCL: atom 1: phi = -0.571354418269 TCL: Center of mass = 0.259516767917 0.203677310518 -0.127262226399 TCL: atom 1: phi = -0.571821676858 TCL: Center of mass = 0.260957185958 0.203617164012 -0.127536419069 TCL: atom 1: phi = -0.572321514183 TCL: Center of mass = 0.262432108661 0.203527962623 -0.127792607645 TCL: atom 1: phi = -0.572715142922 TCL: Center of mass = 0.263932339259 0.203445204018 -0.128023777008 TCL: atom 1: phi = -0.572981036586 TCL: Center of mass = 0.265472676526 0.203352094624 -0.1282460721 TCL: atom 1: phi = -0.57294957441 TCL: Center of mass = 0.267057753425 0.203266809821 -0.128458340667 TCL: atom 1: phi = -0.572687722108 TCL: Center of mass = 0.268677728616 0.203162927951 -0.128649074087 TCL: atom 1: phi = -0.572127799064 TCL: Center of mass = 0.270271247572 0.203052471059 -0.128814441813 TCL: atom 1: phi = -0.571375051034 TCL: Center of mass = 0.271853826826 0.202897970416 -0.128935497327 TCL: atom 1: phi = -0.570327021007 TCL: Center of mass = 0.273413036004 0.202691073151 -0.12898614571 TCL: atom 1: phi = -0.569135120761 TCL: Center of mass = 0.274970821329 0.202445276063 -0.129015609175 TCL: atom 1: phi = -0.567762956333 TCL: Center of mass = 0.276567632075 0.202137432275 -0.129013715876 TCL: atom 1: phi = -0.566469903271 TCL: Center of mass = 0.278179921107 0.201797105507 -0.129010245463 TCL: atom 1: phi = -0.565177165539 TCL: Center of mass = 0.279825615142 0.20142203621 -0.129003801068 TCL: atom 1: phi = -0.564130739988 TCL: Center of mass = 0.28148962175 0.201016387693 -0.129008992725 TCL: atom 1: phi = -0.563222955879 TCL: Center of mass = 0.283183941311 0.200584442574 -0.129046279711 TCL: atom 1: phi = -0.562569498407 TCL: Center of mass = 0.284878363182 0.200122525272 -0.12908664325 TCL: atom 1: phi = -0.561993029227 TCL: Center of mass = 0.286547834116 0.199659001454 -0.129133660704 TCL: atom 1: phi = -0.561689868366 TCL: Center of mass = 0.288199956136 0.199187561473 -0.129200691931 TCL: atom 1: phi = -0.561526389119 TCL: Center of mass = 0.289818122915 0.198731687277 -0.129291583193 TCL: atom 1: phi = -0.561644637268 TCL: Center of mass = 0.291423805556 0.198268368068 -0.12940096607 TCL: atom 1: phi = -0.561919745914 TCL: Center of mass = 0.293022993673 0.197787543989 -0.129534158684 TCL: atom 1: phi = -0.562500431134 WRITING COORDINATES TO DCD FILE AT STEP 500 WRITING COORDINATES TO RESTART FILE AT STEP 500 FINISHED WRITING RESTART COORDINATES Info: Benchmark time: 20 CPUs 0.0626441 s/step 0.725047 days/ns 13604 kB memory TIMING: 500 CPU: 26.8829, 0.0532419/step Wall: 36.7571, 0.0626519/step, 0.339365 hours remaining, 13604 kB of memory in use. ENERGY: 500 3369.3104 2392.0977 375.0989 33.9967 -44693.0578 3997.3432 0.0000 0.0000 9464.4847 -25060.7264 280.5658 -24918.1877 -24920.6124 281.1041 363.9977 -2014.3502 125000.0000 -1983.4745 -1983.3008 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500 WRITING VELOCITIES TO RESTART FILE AT STEP 500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 0.294637361365 0.197296870187 -0.129679770766 TCL: atom 1: phi = -0.56312979175 TCL: Center of mass = 0.296246147336 0.196804733543 -0.129825280945 TCL: atom 1: phi = -0.563945318127 TCL: Center of mass = 0.297873794592 0.196312951141 -0.129962685857 TCL: atom 1: phi = -0.564724127209 TCL: Center of mass = 0.299497069743 0.19582790528 -0.130083921816 TCL: atom 1: phi = -0.565551629186 TCL: Center of mass = 0.301128763233 0.195357846124 -0.130174362225 TCL: atom 1: phi = -0.566208167542 TCL: Center of mass = 0.302729219022 0.194898075141 -0.130234848024 TCL: atom 1: phi = -0.566858300027 TCL: Center of mass = 0.304305037724 0.194452272099 -0.130251947881 TCL: atom 1: phi = -0.567300324453 TCL: Center of mass = 0.305860625976 0.194018236907 -0.130270559612 TCL: atom 1: phi = -0.567843916055 TCL: Center of mass = 0.307410698807 0.193605103001 -0.130270280398 TCL: atom 1: phi = -0.568236805742 TCL: Center of mass = 0.308937725877 0.193178406012 -0.130251117615 TCL: atom 1: phi = -0.568746816315 TCL: Center of mass = 0.310476428488 0.192739751846 -0.130234293444 TCL: atom 1: phi = -0.56920604665 TCL: Center of mass = 0.312021677161 0.192310095053 -0.130193181295 TCL: atom 1: phi = -0.569774381453 TCL: Center of mass = 0.313587819697 0.191872679847 -0.130112630598 TCL: atom 1: phi = -0.57028762888 TCL: Center of mass = 0.315159611261 0.191428158856 -0.129963239718 TCL: atom 1: phi = -0.571000688 TCL: Center of mass = 0.316746946197 0.190961494632 -0.129766118813 TCL: atom 1: phi = -0.571693503206 TCL: Center of mass = 0.318322140216 0.190503567325 -0.129523254932 TCL: atom 1: phi = -0.572572655057 TCL: Center of mass = 0.319913637938 0.190055254282 -0.129272890044 TCL: atom 1: phi = -0.573337297594 TCL: Center of mass = 0.321504859051 0.189641072177 -0.12902809431 TCL: atom 1: phi = -0.574213732045 TCL: Center of mass = 0.323112514941 0.189250414805 -0.128829254498 TCL: atom 1: phi = -0.574985744904 TCL: Center of mass = 0.324740371282 0.18888298107 -0.128693668996 TCL: atom 1: phi = -0.575798271934 TCL: Center of mass = 0.326383467751 0.188520430639 -0.128640107485 TCL: atom 1: phi = -0.576505851069 TCL: Center of mass = 0.32801517157 0.188175664803 -0.128650137599 TCL: atom 1: phi = -0.57719816651 TCL: Center of mass = 0.329648003845 0.187816998477 -0.128683252837 TCL: atom 1: phi = -0.577602062201 TCL: Center of mass = 0.331272063426 0.187473175985 -0.128723161016 TCL: atom 1: phi = -0.577918945094 TCL: Center of mass = 0.332872278365 0.187108273408 -0.128755778229 TCL: atom 1: phi = -0.577888206914 TCL: Center of mass = 0.334464800268 0.186731605906 -0.128785604539 TCL: atom 1: phi = -0.57770813117 TCL: Center of mass = 0.336041641383 0.186318530589 -0.12879599848 TCL: atom 1: phi = -0.577213228889 TCL: Center of mass = 0.337604501628 0.1859135496 -0.128793348511 TCL: atom 1: phi = -0.576617685454 TCL: Center of mass = 0.33918811506 0.185491244574 -0.128799104066 TCL: atom 1: phi = -0.575862749439 TCL: Center of mass = 0.340775652323 0.185103318176 -0.128837071276 TCL: atom 1: phi = -0.575151881395 TCL: Center of mass = 0.342374387805 0.184720779544 -0.128909200389 TCL: atom 1: phi = -0.574287083864 TCL: Center of mass = 0.34397821997 0.184367753791 -0.129004052552 TCL: atom 1: phi = -0.573614627397 TCL: Center of mass = 0.345560522453 0.184011440484 -0.129089655841 TCL: atom 1: phi = -0.572879717951 TCL: Center of mass = 0.34709830526 0.183654164927 -0.129139784223 TCL: atom 1: phi = -0.57233435842 TCL: Center of mass = 0.348595569083 0.183248263767 -0.129141317025 TCL: atom 1: phi = -0.571815397152 TCL: Center of mass = 0.350068383171 0.182813382445 -0.12910231322 TCL: atom 1: phi = -0.571562617067 TCL: Center of mass = 0.351520603588 0.182317120452 -0.129034039807 TCL: atom 1: phi = -0.571370694659 TCL: Center of mass = 0.352979097269 0.181827653881 -0.128951959584 TCL: atom 1: phi = -0.571433771758 TCL: Center of mass = 0.354479207625 0.181325019658 -0.128862725705 TCL: atom 1: phi = -0.571623700841 TCL: Center of mass = 0.356026560668 0.180859439839 -0.128796723516 TCL: atom 1: phi = -0.572133813228 TCL: Center of mass = 0.357627751009 0.180403310036 -0.128778081585 TCL: atom 1: phi = -0.572677799371 TCL: Center of mass = 0.359267323301 0.180007240607 -0.128771338434 TCL: atom 1: phi = -0.573425937102 TCL: Center of mass = 0.3609353581 0.179624226819 -0.128782010635 TCL: atom 1: phi = -0.574089223031 TCL: Center of mass = 0.362598510957 0.179261897874 -0.128794240145 TCL: atom 1: phi = -0.574843250919 TCL: Center of mass = 0.364247217753 0.178884722875 -0.128792809742 TCL: atom 1: phi = -0.57538498144 TCL: Center of mass = 0.365867542115 0.178510380199 -0.128775732714 TCL: atom 1: phi = -0.575954374262 TCL: Center of mass = 0.367475496305 0.178108444776 -0.128742848125 TCL: atom 1: phi = -0.576252205417 TCL: Center of mass = 0.369077715769 0.177694033176 -0.128721732691 TCL: atom 1: phi = -0.576580991263 TCL: Center of mass = 0.370699503634 0.177278801889 -0.128699489645 TCL: atom 1: phi = -0.57661477431 TCL: Center of mass = 0.372372188902 0.176879118071 -0.128705184644 TCL: atom 1: phi = -0.576715848198 TCL: Center of mass = 0.374087905804 0.176493437222 -0.128733937196 TCL: atom 1: phi = -0.576590018965 TCL: Center of mass = 0.375824020784 0.176128922465 -0.128784909149 TCL: atom 1: phi = -0.576509313585 TCL: Center of mass = 0.377590721848 0.175791266165 -0.128846291132 TCL: atom 1: phi = -0.576266827737 TCL: Center of mass = 0.379341829264 0.17547711184 -0.128933733649 TCL: atom 1: phi = -0.576080478163 TCL: Center of mass = 0.381060273778 0.175154056218 -0.129018289005 TCL: atom 1: phi = -0.575761060856 TCL: Center of mass = 0.38270149869 0.17482345161 -0.129105828862 TCL: atom 1: phi = -0.575555694774 TCL: Center of mass = 0.384291342749 0.174469725875 -0.129193219965 TCL: atom 1: phi = -0.575290300158 TCL: Center of mass = 0.385831459939 0.174125369964 -0.129312228829 TCL: atom 1: phi = -0.575172221378 TCL: Center of mass = 0.387345411093 0.173757634557 -0.12945123679 TCL: atom 1: phi = -0.575034119568 TCL: Center of mass = 0.388845551005 0.173398465444 -0.129621649277 TCL: atom 1: phi = -0.57514996898 TCL: Center of mass = 0.390366348525 0.173046120751 -0.129827743887 TCL: atom 1: phi = -0.575292831444 TCL: Center of mass = 0.391896880631 0.172713530141 -0.130085933561 TCL: atom 1: phi = -0.575666333007 TCL: Center of mass = 0.393436533724 0.172384974347 -0.13034965001 TCL: atom 1: phi = -0.576055150709 TCL: Center of mass = 0.394957026699 0.17208005978 -0.130641850089 TCL: atom 1: phi = -0.576711450897 TCL: Center of mass = 0.396462870147 0.171782073673 -0.130926906477 TCL: atom 1: phi = -0.577329858486 TCL: Center of mass = 0.397922425677 0.171480092102 -0.131217935075 TCL: atom 1: phi = -0.578061852873 TCL: Center of mass = 0.399341297197 0.171177501566 -0.131502338335 TCL: atom 1: phi = -0.578770726233 TCL: Center of mass = 0.400716633399 0.170860031418 -0.131773501825 TCL: atom 1: phi = -0.57962568604 TCL: Center of mass = 0.402067750907 0.170544934934 -0.132041896654 TCL: atom 1: phi = -0.580360726008 TCL: Center of mass = 0.403417875649 0.170230674656 -0.132332791592 TCL: atom 1: phi = -0.581224376736 TCL: Center of mass = 0.404796206092 0.169915293434 -0.132632560307 TCL: atom 1: phi = -0.582041787094 TCL: Center of mass = 0.406211129016 0.16961918688 -0.132941366729 TCL: atom 1: phi = -0.583022555494 TCL: Center of mass = 0.407666784136 0.16934664427 -0.133237544368 TCL: atom 1: phi = -0.5839772297 TCL: Center of mass = 0.409158710245 0.169118051555 -0.133505515101 TCL: atom 1: phi = -0.585107252481 TCL: Center of mass = 0.410675162914 0.168902113383 -0.133723127768 TCL: atom 1: phi = -0.586219411005 TCL: Center of mass = 0.412188708261 0.168685346526 -0.133902584456 TCL: atom 1: phi = -0.587436666185 TCL: Center of mass = 0.413680689887 0.16843006488 -0.134074933658 TCL: atom 1: phi = -0.588629564376 TCL: Center of mass = 0.415155925 0.168161428198 -0.134221025957 TCL: atom 1: phi = -0.589957898427 TCL: Center of mass = 0.416626998006 0.16785277092 -0.134377802621 TCL: atom 1: phi = -0.591214140897 TCL: Center of mass = 0.418083230392 0.167523847106 -0.134537824111 TCL: atom 1: phi = -0.592630741789 TCL: Center of mass = 0.419549160139 0.167159597132 -0.134682280438 TCL: atom 1: phi = -0.594000928496 TCL: Center of mass = 0.421038476765 0.166772871419 -0.134822099765 TCL: atom 1: phi = -0.595512017634 TCL: Center of mass = 0.422541566351 0.166358354404 -0.134953485939 TCL: atom 1: phi = -0.596968492986 TCL: Center of mass = 0.424062229477 0.165935011929 -0.135085111825 TCL: atom 1: phi = -0.598586743302 TCL: Center of mass = 0.425581889862 0.165512878527 -0.135198272273 TCL: atom 1: phi = -0.600153397568 TCL: Center of mass = 0.427081713093 0.165088100175 -0.135355470301 TCL: atom 1: phi = -0.6017373553 TCL: Center of mass = 0.428604310799 0.164653528115 -0.135537023165 TCL: atom 1: phi = -0.603133305505 TCL: Center of mass = 0.43011736816 0.164227365418 -0.135762645982 TCL: atom 1: phi = -0.604452088196 TCL: Center of mass = 0.431629658953 0.163777251061 -0.136033637726 TCL: atom 1: phi = -0.605513140983 TCL: Center of mass = 0.433121392663 0.163354360007 -0.136305451901 TCL: atom 1: phi = -0.6064584509 TCL: Center of mass = 0.434615530939 0.162941862758 -0.136589493353 TCL: atom 1: phi = -0.60717112905 TCL: Center of mass = 0.43609820052 0.162544929498 -0.136855918594 TCL: atom 1: phi = -0.607800098633 TCL: Center of mass = 0.437602476137 0.162129736218 -0.137082634635 TCL: atom 1: phi = -0.608198118466 TCL: Center of mass = 0.439109692815 0.16175595877 -0.137239026256 TCL: atom 1: phi = -0.608533570891 TCL: Center of mass = 0.440646814563 0.161375692968 -0.13736462559 TCL: atom 1: phi = -0.608734450689 TCL: Center of mass = 0.442203339974 0.161042946489 -0.137458971805 TCL: atom 1: phi = -0.60895461361 TCL: Center of mass = 0.443787833815 0.160717529913 -0.137564084205 TCL: atom 1: phi = -0.609044140766 TCL: Center of mass = 0.445401010632 0.160429765118 -0.137681360432 TCL: atom 1: phi = -0.609157279317 TCL: Center of mass = 0.447058739338 0.160147013075 -0.137825653645 TCL: atom 1: phi = -0.609214431946 TCL: Center of mass = 0.448712943851 0.159913104969 -0.137991298514 TCL: atom 1: phi = -0.609324309678 Info: Benchmark time: 20 CPUs 0.0624682 s/step 0.723012 days/ns 13604 kB memory TIMING: 600 CPU: 32.1941, 0.0531119/step Wall: 43.0047, 0.0624758/step, 0.336675 hours remaining, 13604 kB of memory in use. ENERGY: 600 3381.2487 2457.7474 379.6853 30.5903 -44755.4001 4121.0513 0.0000 0.0000 9323.8709 -25061.2063 276.3975 -24917.3703 -24923.5239 281.3107 402.1589 -1603.1878 125000.0000 -1892.1973 -1890.6506 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600 WRITING COORDINATES TO DCD FILE AT STEP 600 WRITING COORDINATES TO RESTART FILE AT STEP 600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 0.450369677947 0.159692438662 -0.138142044131 TCL: atom 1: phi = -0.609407143725 TCL: Center of mass = 0.451995718088 0.159506731428 -0.138288048258 TCL: atom 1: phi = -0.609562246198 TCL: Center of mass = 0.453582713222 0.159298806771 -0.138402637974 TCL: atom 1: phi = -0.609749634362 TCL: Center of mass = 0.455113348091 0.159114737888 -0.138486647229 TCL: atom 1: phi = -0.610084877908 TCL: Center of mass = 0.456620850029 0.158940665986 -0.138552157288 TCL: atom 1: phi = -0.610485328746 TCL: Center of mass = 0.458113137145 0.158759794725 -0.138617017543 TCL: atom 1: phi = -0.611048457426 TCL: Center of mass = 0.459628242982 0.158559470742 -0.138697769077 TCL: atom 1: phi = -0.61160277195 TCL: Center of mass = 0.461162653866 0.15839410467 -0.138796679063 TCL: atom 1: phi = -0.612247529606 TCL: Center of mass = 0.462766636951 0.158238956152 -0.13894001252 TCL: atom 1: phi = -0.612813613557 TCL: Center of mass = 0.464420446735 0.158117238892 -0.139129976306 TCL: atom 1: phi = -0.613396240154 TCL: Center of mass = 0.466105154659 0.157988614275 -0.139352870907 TCL: atom 1: phi = -0.613780610709 TCL: Center of mass = 0.467804283748 0.157878427287 -0.13955346969 TCL: atom 1: phi = -0.614127391677 TCL: Center of mass = 0.469495468849 0.157754102793 -0.139725919955 TCL: atom 1: phi = -0.614393238028 TCL: Center of mass = 0.471148159601 0.157644383876 -0.139851183207 TCL: atom 1: phi = -0.614659275628 TCL: Center of mass = 0.472796318222 0.157507201975 -0.139917690956 TCL: atom 1: phi = -0.614883175627 TCL: Center of mass = 0.474421544895 0.157374562016 -0.139918611491 TCL: atom 1: phi = -0.615168003085 TCL: Center of mass = 0.476075445564 0.157231756822 -0.139899937698 TCL: atom 1: phi = -0.615472549456 TCL: Center of mass = 0.477760935378 0.157112032408 -0.139857464561 TCL: atom 1: phi = -0.615813099113 TCL: Center of mass = 0.479490617386 0.15699253881 -0.139819230772 TCL: atom 1: phi = -0.616118726825 TCL: Center of mass = 0.481268544075 0.15690277241 -0.139800204232 TCL: atom 1: phi = -0.616488255677 TCL: Center of mass = 0.483095946675 0.156818829695 -0.139797278662 TCL: atom 1: phi = -0.616822537443 TCL: Center of mass = 0.484925330171 0.156707453161 -0.139809034007 TCL: atom 1: phi = -0.617278387664 TCL: Center of mass = 0.486725402981 0.156544103474 -0.1398105769 TCL: atom 1: phi = -0.617701422761 TCL: Center of mass = 0.488462822202 0.156351670996 -0.139766581478 TCL: atom 1: phi = -0.618242674261 TCL: Center of mass = 0.490140830555 0.1561229714 -0.139680128576 TCL: atom 1: phi = -0.618844252094 TCL: Center of mass = 0.491775739556 0.155865498938 -0.13955357843 TCL: atom 1: phi = -0.619638747317 TCL: Center of mass = 0.493382274258 0.155569208556 -0.139436366808 TCL: atom 1: phi = -0.62048171044 TCL: Center of mass = 0.494956812938 0.155241842659 -0.139331792548 TCL: atom 1: phi = -0.62156794381 TCL: Center of mass = 0.496525460878 0.154876975723 -0.139256677719 TCL: atom 1: phi = -0.622772963939 TCL: Center of mass = 0.49813538108 0.154531304348 -0.139225999662 TCL: atom 1: phi = -0.624088364663 TCL: Center of mass = 0.499785088521 0.15417751845 -0.139236355993 TCL: atom 1: phi = -0.625317153815 TCL: Center of mass = 0.501446434956 0.153832410539 -0.139274845888 TCL: atom 1: phi = -0.626565226421 TCL: Center of mass = 0.503123309976 0.153468204123 -0.139301427921 TCL: atom 1: phi = -0.627681758551 TCL: Center of mass = 0.504779988089 0.153107441414 -0.139299955129 TCL: atom 1: phi = -0.628776959246 TCL: Center of mass = 0.506393811631 0.152722572757 -0.139256944913 TCL: atom 1: phi = -0.629750267666 TCL: Center of mass = 0.507965043403 0.152330995155 -0.139175896448 TCL: atom 1: phi = -0.630773611429 TCL: Center of mass = 0.509508222629 0.151940674324 -0.139049463137 TCL: atom 1: phi = -0.631734970628 TCL: Center of mass = 0.511047289427 0.151586098179 -0.138890389108 TCL: atom 1: phi = -0.632674286622 TCL: Center of mass = 0.512599181268 0.151252404539 -0.138718008418 TCL: atom 1: phi = -0.633457555526 TCL: Center of mass = 0.514183042847 0.150969209462 -0.138543119674 TCL: atom 1: phi = -0.634176526622 TCL: Center of mass = 0.515817295227 0.15074278745 -0.138374303847 TCL: atom 1: phi = -0.634688873564 TCL: Center of mass = 0.517466794781 0.150582196984 -0.13820090426 TCL: atom 1: phi = -0.635112931482 TCL: Center of mass = 0.519145175575 0.150466015265 -0.138024026401 TCL: atom 1: phi = -0.635324242747 TCL: Center of mass = 0.52081344879 0.150408774994 -0.137828129922 TCL: atom 1: phi = -0.635541585472 TCL: Center of mass = 0.522468527458 0.150358844077 -0.137641951638 TCL: atom 1: phi = -0.635705474445 TCL: Center of mass = 0.524115421827 0.15033501083 -0.137452209657 TCL: atom 1: phi = -0.636014708119 TCL: Center of mass = 0.525731696554 0.150316701921 -0.137258826866 TCL: atom 1: phi = -0.636369002441 TCL: Center of mass = 0.527322594122 0.150326972346 -0.13706783705 TCL: atom 1: phi = -0.636945737447 TCL: Center of mass = 0.528931920934 0.150310618657 -0.136887245761 TCL: atom 1: phi = -0.637644236663 TCL: Center of mass = 0.530542164477 0.150311178779 -0.136715512882 TCL: atom 1: phi = -0.638542254542 TCL: Center of mass = 0.532164000325 0.150315471549 -0.13656147232 TCL: atom 1: phi = -0.6393650093 TCL: Center of mass = 0.533780550037 0.150341271893 -0.136432763044 TCL: atom 1: phi = -0.640170745404 TCL: Center of mass = 0.535420303679 0.150347690565 -0.136336691789 TCL: atom 1: phi = -0.640810780829 TCL: Center of mass = 0.537048377883 0.150345203968 -0.136279475706 TCL: atom 1: phi = -0.641417303318 TCL: Center of mass = 0.538671546411 0.15031677248 -0.136247703444 TCL: atom 1: phi = -0.641891176868 TCL: Center of mass = 0.540259249105 0.150256989796 -0.136237231253 TCL: atom 1: phi = -0.642408904227 TCL: Center of mass = 0.541810206647 0.150136299784 -0.136265802494 TCL: atom 1: phi = -0.642875330238 TCL: Center of mass = 0.543316313569 0.150003752778 -0.136313357183 TCL: atom 1: phi = -0.643452253433 TCL: Center of mass = 0.54480974689 0.14983221787 -0.136387964498 TCL: atom 1: phi = -0.643924312065 TCL: Center of mass = 0.546276126866 0.149668684296 -0.136474321346 TCL: atom 1: phi = -0.644378088559 TCL: Center of mass = 0.547737964723 0.149463021957 -0.136561300165 TCL: atom 1: phi = -0.644556954 TCL: Center of mass = 0.549183588737 0.149243149405 -0.136648862372 TCL: atom 1: phi = -0.64461730312 TCL: Center of mass = 0.550634962251 0.148992230028 -0.136717333453 TCL: atom 1: phi = -0.64436930545 TCL: Center of mass = 0.552064395798 0.148749676509 -0.13676535963 TCL: atom 1: phi = -0.644060497318 TCL: Center of mass = 0.553477914899 0.148464640319 -0.136781801104 TCL: atom 1: phi = -0.643561618379 TCL: Center of mass = 0.554881875847 0.148157190957 -0.136786015259 TCL: atom 1: phi = -0.643116947952 TCL: Center of mass = 0.556293604427 0.147858116628 -0.136791190254 TCL: atom 1: phi = -0.642666381075 TCL: Center of mass = 0.557697949406 0.147580052999 -0.136808045432 TCL: atom 1: phi = -0.642436023408 TCL: Center of mass = 0.559099718345 0.14729619104 -0.136820557022 TCL: atom 1: phi = -0.642232612724 TCL: Center of mass = 0.56045035424 0.147019504957 -0.136837500443 TCL: atom 1: phi = -0.642224836601 TCL: Center of mass = 0.561760397632 0.146729407123 -0.136823973423 TCL: atom 1: phi = -0.642096444169 TCL: Center of mass = 0.5630336436 0.146435163988 -0.136789304245 TCL: atom 1: phi = -0.642014356479 TCL: Center of mass = 0.564313794368 0.146123048284 -0.136727852477 TCL: atom 1: phi = -0.641748321543 TCL: Center of mass = 0.565561561439 0.145828657688 -0.136653518823 TCL: atom 1: phi = -0.641480092595 TCL: Center of mass = 0.566797655156 0.145541274521 -0.136564995773 TCL: atom 1: phi = -0.640988301249 TCL: Center of mass = 0.568058829674 0.14529733854 -0.136518847245 TCL: atom 1: phi = -0.640562757268 TCL: Center of mass = 0.569360304855 0.14505010397 -0.136507592151 TCL: atom 1: phi = -0.64000603337 TCL: Center of mass = 0.570671137329 0.144847888722 -0.136569877293 TCL: atom 1: phi = -0.639571165488 TCL: Center of mass = 0.572023231757 0.144650411188 -0.136648841475 TCL: atom 1: phi = -0.639029187566 TCL: Center of mass = 0.573372519615 0.144498339704 -0.136755078924 TCL: atom 1: phi = -0.638558105743 TCL: Center of mass = 0.574713737904 0.144345130674 -0.13685958745 TCL: atom 1: phi = -0.637776208996 TCL: Center of mass = 0.576013445656 0.144212537092 -0.136958713368 TCL: atom 1: phi = -0.636960162374 TCL: Center of mass = 0.577274814197 0.144070061814 -0.137058711779 TCL: atom 1: phi = -0.635824905013 TCL: Center of mass = 0.578477393056 0.143945988564 -0.137163638562 TCL: atom 1: phi = -0.634645607761 TCL: Center of mass = 0.579674723371 0.143801589012 -0.137224218892 TCL: atom 1: phi = -0.633257094166 TCL: Center of mass = 0.580839549766 0.143676560915 -0.137295970407 TCL: atom 1: phi = -0.631994893567 TCL: Center of mass = 0.582016117321 0.143535195622 -0.137381472579 TCL: atom 1: phi = -0.630750119171 TCL: Center of mass = 0.583177716346 0.143430580087 -0.137513905675 TCL: atom 1: phi = -0.629831639622 TCL: Center of mass = 0.584371692379 0.143322844561 -0.137661490373 TCL: atom 1: phi = -0.629038682592 TCL: Center of mass = 0.585534264904 0.143237154783 -0.137846676814 TCL: atom 1: phi = -0.628632770978 TCL: Center of mass = 0.586681238334 0.143110408264 -0.138022119599 TCL: atom 1: phi = -0.628386003986 TCL: Center of mass = 0.587764157898 0.142972589976 -0.138197738026 TCL: atom 1: phi = -0.628472452627 TCL: Center of mass = 0.588783777664 0.142793720467 -0.138318379369 TCL: atom 1: phi = -0.628611668517 TCL: Center of mass = 0.589717803463 0.142581179478 -0.138408557504 TCL: atom 1: phi = -0.62906023302 TCL: Center of mass = 0.590610144713 0.14232541618 -0.138483115542 TCL: atom 1: phi = -0.629574023174 TCL: Center of mass = 0.591439100716 0.142094194718 -0.138554886798 TCL: atom 1: phi = -0.630382035232 TCL: Center of mass = 0.592291590471 0.14185766253 -0.138652265738 TCL: atom 1: phi = -0.631290425107 TCL: Center of mass = 0.593161051658 0.141674374494 -0.1387774437 TCL: atom 1: phi = -0.632452904009 TCL: Center of mass = 0.594075489234 0.141502449759 -0.138934233124 TCL: atom 1: phi = -0.633643390956 TCL: Center of mass = 0.595010340976 0.141378383905 -0.139109147835 TCL: atom 1: phi = -0.635053073126 WRITING COORDINATES TO DCD FILE AT STEP 700 WRITING COORDINATES TO RESTART FILE AT STEP 700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 700 FINISHED WRITING RESTART VELOCITIES TIMING: 700 CPU: 37.5193, 0.0532519/step Wall: 49.3731, 0.0636842/step, 0.341418 hours remaining, 13604 kB of memory in use. ENERGY: 700 3383.0836 2420.6516 375.3085 33.8090 -44872.6429 4143.4853 0.0000 0.0000 9481.8588 -25034.4461 281.0809 -24892.1906 -24891.8925 281.8552 391.7104 -1693.9919 125000.0000 -1878.5760 -1875.4722 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700 TCL: Center of mass = 0.595938409254 0.141243762042 -0.139292372184 TCL: atom 1: phi = -0.63636451121 TCL: Center of mass = 0.596860943252 0.141137527687 -0.139464401109 TCL: atom 1: phi = -0.637720793008 TCL: Center of mass = 0.59778501675 0.141009395624 -0.139610425918 TCL: atom 1: phi = -0.638791671751 TCL: Center of mass = 0.598676630352 0.140899630207 -0.139728927475 TCL: atom 1: phi = -0.639670510692 TCL: Center of mass = 0.599552773033 0.140763243928 -0.139801352228 TCL: atom 1: phi = -0.640291642848 TCL: Center of mass = 0.600433108403 0.140660769519 -0.139863748704 TCL: atom 1: phi = -0.640896091582 TCL: Center of mass = 0.60134652207 0.14054980967 -0.139936081224 TCL: atom 1: phi = -0.641332339423 TCL: Center of mass = 0.60228949409 0.140475463342 -0.140014801097 TCL: atom 1: phi = -0.641818581368 TCL: Center of mass = 0.603285913198 0.1404122896 -0.140092570337 TCL: atom 1: phi = -0.642273131895 TCL: Center of mass = 0.604294964044 0.140403226388 -0.140170319912 TCL: atom 1: phi = -0.642828960158 TCL: Center of mass = 0.605299307075 0.14039694447 -0.140223983365 TCL: atom 1: phi = -0.643306610965 TCL: Center of mass = 0.606260144655 0.140400462157 -0.140243019818 TCL: atom 1: phi = -0.643851769212 TCL: Center of mass = 0.607187817719 0.140386146704 -0.140213339073 TCL: atom 1: phi = -0.644337894436 TCL: Center of mass = 0.608065531143 0.140337944273 -0.14014081175 TCL: atom 1: phi = -0.644807927517 TCL: Center of mass = 0.608915154378 0.140240785989 -0.140032114904 TCL: atom 1: phi = -0.645221587224 TCL: Center of mass = 0.609731964539 0.14012635814 -0.139914499441 TCL: atom 1: phi = -0.645657239041 TCL: Center of mass = 0.610535523222 0.139949631471 -0.139777751136 TCL: atom 1: phi = -0.646030886753 TCL: Center of mass = 0.611335700233 0.139790249669 -0.139675840584 TCL: atom 1: phi = -0.646467248617 TCL: Center of mass = 0.612162933905 0.139638274605 -0.139598437389 TCL: atom 1: phi = -0.646913566345 TCL: Center of mass = 0.612981817506 0.139516855664 -0.139570254192 TCL: atom 1: phi = -0.647358790575 TCL: Center of mass = 0.613788336289 0.139415864209 -0.139551228417 TCL: atom 1: phi = -0.647675024796 TCL: Center of mass = 0.61456981483 0.139321355506 -0.139559222912 TCL: atom 1: phi = -0.647916488354 TCL: Center of mass = 0.615324677423 0.139209033617 -0.13956595015 TCL: atom 1: phi = -0.647960919312 TCL: Center of mass = 0.616035777618 0.139085266208 -0.139595264829 TCL: atom 1: phi = -0.647755752535 TCL: Center of mass = 0.616726449571 0.138920180224 -0.139646049496 TCL: atom 1: phi = -0.647241204607 TCL: Center of mass = 0.617429475212 0.138743022579 -0.139724258159 TCL: atom 1: phi = -0.646597045191 TCL: Center of mass = 0.618155886458 0.138544724962 -0.139809830906 TCL: atom 1: phi = -0.645821360791 TCL: Center of mass = 0.618898517087 0.138365004789 -0.139921547111 TCL: atom 1: phi = -0.645207978203 TCL: Center of mass = 0.619672036448 0.138172597067 -0.140048332296 TCL: atom 1: phi = -0.644670868183 TCL: Center of mass = 0.62048191911 0.137998556889 -0.14020960392 TCL: atom 1: phi = -0.644327260423 TCL: Center of mass = 0.621292298972 0.137822620066 -0.140373018418 TCL: atom 1: phi = -0.644085863575 TCL: Center of mass = 0.622078124552 0.137655513371 -0.140550874083 TCL: atom 1: phi = -0.644015689305 TCL: Center of mass = 0.622848454809 0.137462733067 -0.140708796278 TCL: atom 1: phi = -0.643953331541 TCL: Center of mass = 0.623594016027 0.137249147494 -0.1408588056 TCL: atom 1: phi = -0.644043508662 TCL: Center of mass = 0.624321835224 0.136982786867 -0.140993736533 TCL: atom 1: phi = -0.644168768436 TCL: Center of mass = 0.625021484574 0.136694078115 -0.141110197466 TCL: atom 1: phi = -0.644482308576 TCL: Center of mass = 0.62574771916 0.13638074764 -0.141206355746 TCL: atom 1: phi = -0.644895136228 TCL: Center of mass = 0.626489618497 0.136046851235 -0.141310305285 TCL: atom 1: phi = -0.645577958991 TCL: Center of mass = 0.627276893498 0.135696015993 -0.141409330989 TCL: atom 1: phi = -0.646382234815 TCL: Center of mass = 0.628058823311 0.135334942501 -0.141502283493 TCL: atom 1: phi = -0.647389406731 TCL: Center of mass = 0.628858193507 0.134990888819 -0.141559359727 TCL: atom 1: phi = -0.648428192916 TCL: Center of mass = 0.629675751419 0.134674544036 -0.141617234588 TCL: atom 1: phi = -0.649447778895 TCL: Center of mass = 0.630491471981 0.134350993819 -0.141647527189 TCL: atom 1: phi = -0.650337651135 TCL: Center of mass = 0.631296473784 0.134042894649 -0.141667784412 TCL: atom 1: phi = -0.651092781822 TCL: Center of mass = 0.632123302454 0.13372974339 -0.141675755298 TCL: atom 1: phi = -0.651618203552 TCL: Center of mass = 0.632960474822 0.133442288694 -0.141691124432 TCL: atom 1: phi = -0.651988136347 TCL: Center of mass = 0.633827960373 0.13318105457 -0.141709272446 TCL: atom 1: phi = -0.652172008954 TCL: Center of mass = 0.634714765115 0.132971256254 -0.141763339468 TCL: atom 1: phi = -0.652338776858 TCL: Center of mass = 0.635610220094 0.132779840872 -0.141823600832 TCL: atom 1: phi = -0.652499397054 TCL: Center of mass = 0.636507636866 0.132612567529 -0.141908281844 TCL: atom 1: phi = -0.652757536228 TCL: Center of mass = 0.637401617556 0.132435245657 -0.141994474924 TCL: atom 1: phi = -0.65303661171 TCL: Center of mass = 0.638268558846 0.132257888588 -0.142091940652 TCL: atom 1: phi = -0.65339155432 TCL: Center of mass = 0.639109650285 0.132065060547 -0.142217001555 TCL: atom 1: phi = -0.65375116803 TCL: Center of mass = 0.639928650817 0.13184444793 -0.142348185919 TCL: atom 1: phi = -0.654138190442 TCL: Center of mass = 0.640732071009 0.131638645546 -0.142497900749 TCL: atom 1: phi = -0.654534926963 TCL: Center of mass = 0.641537085515 0.131432457028 -0.142682237243 TCL: atom 1: phi = -0.655065736717 TCL: Center of mass = 0.642356158194 0.131238113162 -0.142910883158 TCL: atom 1: phi = -0.655708497483 TCL: Center of mass = 0.64318095894 0.131035846712 -0.143180827057 TCL: atom 1: phi = -0.656579079638 TCL: Center of mass = 0.64401938206 0.130816317578 -0.143458328462 TCL: atom 1: phi = -0.657637840248 TCL: Center of mass = 0.644837183058 0.130588005846 -0.143740841291 TCL: atom 1: phi = -0.658945525057 TCL: Center of mass = 0.645643805406 0.130337303228 -0.143995532041 TCL: atom 1: phi = -0.660375780684 TCL: Center of mass = 0.646424995075 0.130044159496 -0.144214095813 TCL: atom 1: phi = -0.66191532072 TCL: Center of mass = 0.647183730481 0.129690748102 -0.144401293151 TCL: atom 1: phi = -0.663440455065 TCL: Center of mass = 0.647923812104 0.129290984713 -0.144565099715 TCL: atom 1: phi = -0.664900917525 TCL: Center of mass = 0.64868275465 0.128836995752 -0.144716525613 TCL: atom 1: phi = -0.666197751207 TCL: Center of mass = 0.649467573808 0.128353988482 -0.144888338081 TCL: atom 1: phi = -0.667351730523 TCL: Center of mass = 0.650290005191 0.127835854072 -0.145053852364 TCL: atom 1: phi = -0.668316906706 TCL: Center of mass = 0.651148913717 0.127355999287 -0.145235552269 TCL: atom 1: phi = -0.669188735544 TCL: Center of mass = 0.652042349622 0.126900959127 -0.145422622359 TCL: atom 1: phi = -0.669955676572 TCL: Center of mass = 0.652953644682 0.126489862284 -0.145612861025 TCL: atom 1: phi = -0.670728146165 TCL: Center of mass = 0.65386697612 0.126089550636 -0.145766969968 TCL: atom 1: phi = -0.671445029964 TCL: Center of mass = 0.654758599469 0.125719431096 -0.145877173369 TCL: atom 1: phi = -0.672144510006 TCL: Center of mass = 0.655641907648 0.125352190547 -0.145967608358 TCL: atom 1: phi = -0.672800890486 TCL: Center of mass = 0.656517190127 0.125010015027 -0.146043348962 TCL: atom 1: phi = -0.673428247338 TCL: Center of mass = 0.657393560818 0.124669186426 -0.146114803964 TCL: atom 1: phi = -0.673950497666 TCL: Center of mass = 0.658277327544 0.124395753749 -0.146214715935 TCL: atom 1: phi = -0.674426896847 TCL: Center of mass = 0.659171988011 0.124155239871 -0.146349188877 TCL: atom 1: phi = -0.674886440362 TCL: Center of mass = 0.660076618645 0.12397750899 -0.146508305605 TCL: atom 1: phi = -0.675428902361 TCL: Center of mass = 0.660978720982 0.123841159611 -0.146693960658 TCL: atom 1: phi = -0.676052617585 TCL: Center of mass = 0.661872271563 0.123777357598 -0.146890373625 TCL: atom 1: phi = -0.676869546033 TCL: Center of mass = 0.662734330914 0.123703622861 -0.147098526936 TCL: atom 1: phi = -0.677788746291 TCL: Center of mass = 0.663559658536 0.123648081815 -0.147290454356 TCL: atom 1: phi = -0.678781709851 TCL: Center of mass = 0.664368103784 0.123561406968 -0.147475511841 TCL: atom 1: phi = -0.679749117134 TCL: Center of mass = 0.665164137586 0.123482961636 -0.147637566582 TCL: atom 1: phi = -0.680717530576 TCL: Center of mass = 0.665971536671 0.123383613412 -0.147797742021 TCL: atom 1: phi = -0.681573419451 TCL: Center of mass = 0.66678496482 0.123313549362 -0.147930656074 TCL: atom 1: phi = -0.682292209048 TCL: Center of mass = 0.667641496072 0.123241853055 -0.148093604133 TCL: atom 1: phi = -0.682784162311 TCL: Center of mass = 0.668532493821 0.123233096072 -0.148265846468 TCL: atom 1: phi = -0.683145466614 TCL: Center of mass = 0.669453154366 0.12321015373 -0.148443067547 TCL: atom 1: phi = -0.683278456299 TCL: Center of mass = 0.670363630432 0.12323696901 -0.148601458364 TCL: atom 1: phi = -0.683310499348 TCL: Center of mass = 0.67129617598 0.12324606149 -0.148734649079 TCL: atom 1: phi = -0.683279715348 TCL: Center of mass = 0.672203505717 0.123250486969 -0.148823845676 TCL: atom 1: phi = -0.68321513552 TCL: Center of mass = 0.673082899985 0.123214172388 -0.148861512062 TCL: atom 1: phi = -0.682957198355 TCL: Center of mass = 0.673962760862 0.123179130444 -0.148851023451 TCL: atom 1: phi = -0.682617242651 TCL: Center of mass = 0.674868372594 0.12311594325 -0.148803413586 TCL: atom 1: phi = -0.682091764382 TCL: Center of mass = 0.675797563976 0.123066800889 -0.14873842533 TCL: atom 1: phi = -0.681429789694 TCL: Center of mass = 0.676757031982 0.123026268633 -0.148679507807 TCL: atom 1: phi = -0.680584941345 TCL: Center of mass = 0.677726827527 0.123039881075 -0.148614997962 TCL: atom 1: phi = -0.679677705914 TCL: Center of mass = 0.678706326695 0.123056149806 -0.148548828944 TCL: atom 1: phi = -0.678773662137 TCL: Center of mass = 0.67966182236 0.123123744566 -0.148487314748 TCL: atom 1: phi = -0.677978132559 WRITING COORDINATES TO DCD FILE AT STEP 800 WRITING COORDINATES TO RESTART FILE AT STEP 800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 800 FINISHED WRITING RESTART VELOCITIES TIMING: 800 CPU: 42.8365, 0.0531719/step Wall: 55.6826, 0.0630949/step, 0.336506 hours remaining, 13604 kB of memory in use. ENERGY: 800 3411.3916 2415.1910 377.9124 37.7396 -44868.8584 4084.2245 0.0000 0.0000 9542.4263 -24999.9730 282.8763 -24858.4000 -24855.3693 282.7356 276.7993 -1711.8007 125000.0000 -2007.8936 -2008.9110 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800 TCL: Center of mass = 0.680598682454 0.12319807799 -0.148422287018 TCL: atom 1: phi = -0.677262777564 TCL: Center of mass = 0.681499770362 0.12329723701 -0.148345110047 TCL: atom 1: phi = -0.676754599407 TCL: Center of mass = 0.682349710155 0.123363383324 -0.148256412136 TCL: atom 1: phi = -0.676326914791 TCL: Center of mass = 0.683143567882 0.123447219085 -0.148142998065 TCL: atom 1: phi = -0.676062379692 TCL: Center of mass = 0.683924803521 0.123503326613 -0.148032855529 TCL: atom 1: phi = -0.675869825986 TCL: Center of mass = 0.684715600461 0.123595654472 -0.147920986467 TCL: atom 1: phi = -0.675671666938 TCL: Center of mass = 0.685520703181 0.123676717872 -0.14780755739 TCL: atom 1: phi = -0.6753638019 TCL: Center of mass = 0.68633740194 0.123797747595 -0.147718356742 TCL: atom 1: phi = -0.674981013986 TCL: Center of mass = 0.687176793825 0.123917394325 -0.147632428969 TCL: atom 1: phi = -0.674454110009 TCL: Center of mass = 0.688024989653 0.12406892133 -0.147550858728 TCL: atom 1: phi = -0.673934148149 TCL: Center of mass = 0.6888451472 0.124212235286 -0.147458405224 TCL: atom 1: phi = -0.673389989763 TCL: Center of mass = 0.689658409074 0.124367824268 -0.14732773844 TCL: atom 1: phi = -0.672945469817 TCL: Center of mass = 0.690464305039 0.12450926489 -0.147169176036 TCL: atom 1: phi = -0.672559894168 TCL: Center of mass = 0.691277654858 0.124662119516 -0.146990894808 TCL: atom 1: phi = -0.672252823345 TCL: Center of mass = 0.692140082818 0.124803323255 -0.146791617096 TCL: atom 1: phi = -0.671832351237 TCL: Center of mass = 0.693044575159 0.124949991874 -0.146587662687 TCL: atom 1: phi = -0.671439669424 TCL: Center of mass = 0.694006835093 0.125114359804 -0.146362987369 TCL: atom 1: phi = -0.670954615637 TCL: Center of mass = 0.695007061749 0.12529228367 -0.146134456436 TCL: atom 1: phi = -0.670451269387 TCL: Center of mass = 0.696043984273 0.125450507659 -0.145893595254 TCL: atom 1: phi = -0.669935346242 TCL: Center of mass = 0.697085087589 0.125625264849 -0.145664685531 TCL: atom 1: phi = -0.669498542264 TCL: Center of mass = 0.698126282377 0.125788668995 -0.145413847113 TCL: atom 1: phi = -0.669110724404 TCL: Center of mass = 0.699147596587 0.12594357547 -0.145165962005 TCL: atom 1: phi = -0.668900672415 TCL: Center of mass = 0.70018762888 0.126054002585 -0.144933586828 TCL: atom 1: phi = -0.668855321832 TCL: Center of mass = 0.701220450925 0.126167232614 -0.144726806669 TCL: atom 1: phi = -0.669037157657 TCL: Center of mass = 0.702244425356 0.126256641364 -0.144544791121 TCL: atom 1: phi = -0.669287421694 TCL: Center of mass = 0.703281067782 0.126381799884 -0.144396829113 TCL: atom 1: phi = -0.669616521199 TCL: Center of mass = 0.704338262825 0.126504222604 -0.14426670872 TCL: atom 1: phi = -0.669918217891 TCL: Center of mass = 0.705403176598 0.126669664465 -0.144162984543 TCL: atom 1: phi = -0.670178167711 TCL: Center of mass = 0.706469089142 0.126852834369 -0.144081045109 TCL: atom 1: phi = -0.670313416909 TCL: Center of mass = 0.707523382407 0.127034704621 -0.143995941191 TCL: atom 1: phi = -0.670332406065 TCL: Center of mass = 0.708576864184 0.127201669534 -0.14392227354 TCL: atom 1: phi = -0.670226788804 TCL: Center of mass = 0.709617351778 0.127362364764 -0.143839964216 TCL: atom 1: phi = -0.670103191232 TCL: Center of mass = 0.710654782033 0.127492473084 -0.143774233161 TCL: atom 1: phi = -0.669904234986 TCL: Center of mass = 0.711686291705 0.127623049056 -0.143714272137 TCL: atom 1: phi = -0.669672956374 TCL: Center of mass = 0.712747833009 0.12775123829 -0.143671412616 TCL: atom 1: phi = -0.669306911189 TCL: Center of mass = 0.713832017216 0.127905689293 -0.143628452455 TCL: atom 1: phi = -0.668852724026 TCL: Center of mass = 0.714932632108 0.128038233386 -0.143579790164 TCL: atom 1: phi = -0.6681802073 TCL: Center of mass = 0.716062832852 0.128188406915 -0.143529611019 TCL: atom 1: phi = -0.667394772203 TCL: Center of mass = 0.717224226105 0.128313183915 -0.143465393105 TCL: atom 1: phi = -0.666320074448 TCL: Center of mass = 0.718397671936 0.128447494185 -0.143382283178 TCL: atom 1: phi = -0.66509142288 TCL: Center of mass = 0.719574160937 0.128532021436 -0.143258072172 TCL: atom 1: phi = -0.663723910492 TCL: Center of mass = 0.720764238647 0.128594342608 -0.143110144573 TCL: atom 1: phi = -0.662395304395 TCL: Center of mass = 0.721960841728 0.128599797124 -0.142956062646 TCL: atom 1: phi = -0.661079152019 TCL: Center of mass = 0.723196431096 0.128607492587 -0.142817377419 TCL: atom 1: phi = -0.65988120928 TCL: Center of mass = 0.72446687986 0.128589823224 -0.14266459853 TCL: atom 1: phi = -0.658702749839 TCL: Center of mass = 0.725773074255 0.128585006084 -0.142507506888 TCL: atom 1: phi = -0.657586775475 TCL: Center of mass = 0.727098675065 0.128583614771 -0.142345547069 TCL: atom 1: phi = -0.656439672668 TCL: Center of mass = 0.728428049705 0.128593272307 -0.142184190237 TCL: atom 1: phi = -0.655348146758 TCL: Center of mass = 0.729782632819 0.128568849421 -0.141988666465 TCL: atom 1: phi = -0.654159874003 TCL: Center of mass = 0.731121717838 0.12853572842 -0.141772910696 TCL: atom 1: phi = -0.653037018534 TCL: Center of mass = 0.732455800348 0.128460579099 -0.141540738911 TCL: atom 1: phi = -0.651859192408 TCL: Center of mass = 0.733786479445 0.128363010453 -0.141321638106 TCL: atom 1: phi = -0.650807505169 TCL: Center of mass = 0.735115351332 0.12823911975 -0.141099217482 TCL: atom 1: phi = -0.649728964675 TCL: Center of mass = 0.736482426341 0.128126261629 -0.140891778888 TCL: atom 1: phi = -0.648830243016 TCL: Center of mass = 0.737893232257 0.128013863561 -0.140709764296 TCL: atom 1: phi = -0.647958897978 TCL: Center of mass = 0.739321224858 0.127933769475 -0.140588672363 TCL: atom 1: phi = -0.64718884685 TCL: Center of mass = 0.740773124098 0.127860971332 -0.140485261602 TCL: atom 1: phi = -0.646394431838 TCL: Center of mass = 0.742243769467 0.127802107689 -0.140412851075 TCL: atom 1: phi = -0.645616297895 TCL: Center of mass = 0.743718372012 0.127725872891 -0.140325300312 TCL: atom 1: phi = -0.64466366073 TCL: Center of mass = 0.745181445057 0.127637528492 -0.140220893042 TCL: atom 1: phi = -0.643691714071 TCL: Center of mass = 0.746616905035 0.127469201672 -0.140104847044 TCL: atom 1: phi = -0.642660692652 TCL: Center of mass = 0.748046908249 0.127247500227 -0.139981590107 TCL: atom 1: phi = -0.641743250628 TCL: Center of mass = 0.749483479974 0.126967923091 -0.139837162228 TCL: atom 1: phi = -0.640943755649 TCL: Center of mass = 0.750935143282 0.126644359484 -0.13969684272 TCL: atom 1: phi = -0.64038378013 TCL: Center of mass = 0.752421402502 0.1262859588 -0.13957135901 TCL: atom 1: phi = -0.639967846466 TCL: Center of mass = 0.753921286477 0.12594562822 -0.139477000426 TCL: atom 1: phi = -0.639775520702 TCL: Center of mass = 0.755442007833 0.125589745123 -0.139386794177 TCL: atom 1: phi = -0.639704284643 TCL: Center of mass = 0.756955798635 0.125261346567 -0.139280016788 TCL: atom 1: phi = -0.639764153235 TCL: Center of mass = 0.758462273712 0.124909398614 -0.139147201357 TCL: atom 1: phi = -0.63985346216 TCL: Center of mass = 0.759944043378 0.124559483782 -0.138976805259 TCL: atom 1: phi = -0.640019584171 TCL: Center of mass = 0.761407134978 0.124161499256 -0.138768335612 TCL: atom 1: phi = -0.640145172768 TCL: Center of mass = 0.762861435494 0.123752089051 -0.138554547177 TCL: atom 1: phi = -0.640281968814 TCL: Center of mass = 0.764326720382 0.123282733671 -0.138321693395 TCL: atom 1: phi = -0.640361724128 TCL: Center of mass = 0.765814207906 0.122814167385 -0.138102410403 TCL: atom 1: phi = -0.640500341125 TCL: Center of mass = 0.767335098945 0.122333089291 -0.137880368553 TCL: atom 1: phi = -0.640553695657 TCL: Center of mass = 0.768882503335 0.121906140401 -0.137698979102 TCL: atom 1: phi = -0.640705617432 TCL: Center of mass = 0.770461809566 0.12151510965 -0.137524115044 TCL: atom 1: phi = -0.640669009802 TCL: Center of mass = 0.772036171948 0.12120196648 -0.13735925683 TCL: atom 1: phi = -0.640566710949 TCL: Center of mass = 0.773599227657 0.120912245745 -0.137171877649 TCL: atom 1: phi = -0.640224653196 TCL: Center of mass = 0.775154311298 0.120661341586 -0.136978728389 TCL: atom 1: phi = -0.639762244511 TCL: Center of mass = 0.776702170827 0.120384886407 -0.136752563561 TCL: atom 1: phi = -0.639077884849 TCL: Center of mass = 0.778263537753 0.120135573381 -0.13651432029 TCL: atom 1: phi = -0.638399767995 TCL: Center of mass = 0.779832568775 0.119867144389 -0.136274988258 TCL: atom 1: phi = -0.637650003212 TCL: Center of mass = 0.781419925788 0.119633768135 -0.136063977099 TCL: atom 1: phi = -0.637017214993 TCL: Center of mass = 0.783038067195 0.119412577822 -0.135858484325 TCL: atom 1: phi = -0.636454709373 TCL: Center of mass = 0.78465151814 0.119220404874 -0.135666726999 TCL: atom 1: phi = -0.636111709598 TCL: Center of mass = 0.78627900455 0.119012333398 -0.135473764807 TCL: atom 1: phi = -0.635834213497 TCL: Center of mass = 0.787908791396 0.118849858193 -0.135296287688 TCL: atom 1: phi = -0.635741238043 TCL: Center of mass = 0.789512404688 0.118652713466 -0.135112486753 TCL: atom 1: phi = -0.635720748566 TCL: Center of mass = 0.791060607506 0.118474152475 -0.134915497767 TCL: atom 1: phi = -0.635875836629 TCL: Center of mass = 0.7925651973 0.118258323566 -0.134707908734 TCL: atom 1: phi = -0.636035509493 TCL: Center of mass = 0.794040093169 0.118033177958 -0.13450497061 TCL: atom 1: phi = -0.636332904 TCL: Center of mass = 0.795491194831 0.11776991243 -0.134303315754 TCL: atom 1: phi = -0.636665314754 TCL: Center of mass = 0.79692219159 0.117527680071 -0.134131972442 TCL: atom 1: phi = -0.637114195451 TCL: Center of mass = 0.798354781882 0.117256080545 -0.133986575601 TCL: atom 1: phi = -0.63762726263 TCL: Center of mass = 0.799775484661 0.117006495488 -0.133881815622 TCL: atom 1: phi = -0.6382475268 TCL: Center of mass = 0.801210853445 0.116748281184 -0.13378814164 TCL: atom 1: phi = -0.638814072551 TCL: Center of mass = 0.80264154521 0.116499007725 -0.133675915997 TCL: atom 1: phi = -0.639356325116 TCL: Center of mass = 0.804052775134 0.116230544381 -0.13353832125 TCL: atom 1: phi = -0.639769381575 TCL: Center of mass = 0.805441435795 0.115958067984 -0.133386353234 TCL: atom 1: phi = -0.640112007448 WRITING COORDINATES TO DCD FILE AT STEP 900 WRITING COORDINATES TO RESTART FILE AT STEP 900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 900 FINISHED WRITING RESTART VELOCITIES TIMING: 900 CPU: 48.1647, 0.0532819/step Wall: 61.9728, 0.0629024/step, 0.333732 hours remaining, 13604 kB of memory in use. ENERGY: 900 3403.4549 2493.7819 375.8032 30.0880 -44972.4158 4124.1883 0.0000 0.0000 9536.7593 -25008.3402 282.7084 -24865.1779 -24866.7449 283.1779 27.6853 -1820.2737 125000.0000 -1798.0102 -1793.2143 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900 TCL: Center of mass = 0.806814611295 0.115688256494 -0.133210961886 TCL: atom 1: phi = -0.640304913443 TCL: Center of mass = 0.808169010321 0.115422212142 -0.133029465426 TCL: atom 1: phi = -0.640389299317 TCL: Center of mass = 0.809527673003 0.115131010621 -0.1328286469 TCL: atom 1: phi = -0.640336496415 TCL: Center of mass = 0.810903929832 0.114858846484 -0.132641196337 TCL: atom 1: phi = -0.640222154288 TCL: Center of mass = 0.812298598251 0.114596006818 -0.132448431423 TCL: atom 1: phi = -0.639992757234 TCL: Center of mass = 0.813708443975 0.114360770387 -0.132274227315 TCL: atom 1: phi = -0.639817366021 TCL: Center of mass = 0.81514562682 0.114154064217 -0.132083447933 TCL: atom 1: phi = -0.639613702138 TCL: Center of mass = 0.816588468066 0.113985857041 -0.131892727303 TCL: atom 1: phi = -0.639505126508 TCL: Center of mass = 0.818044175495 0.113814877764 -0.131686390668 TCL: atom 1: phi = -0.63941179139 TCL: Center of mass = 0.819496687675 0.113652324939 -0.131477712604 TCL: atom 1: phi = -0.639380423184 TCL: Center of mass = 0.820932360848 0.113470214701 -0.131260494746 TCL: atom 1: phi = -0.639322108657 TCL: Center of mass = 0.822327511331 0.113310704739 -0.131042157906 TCL: atom 1: phi = -0.639301653995 TCL: Center of mass = 0.823690285754 0.113148472472 -0.130844971643 TCL: atom 1: phi = -0.63929772441 TCL: Center of mass = 0.825060951478 0.113029622171 -0.130688512881 TCL: atom 1: phi = -0.63929359054 TCL: Center of mass = 0.826426035016 0.112963899113 -0.130560608589 TCL: atom 1: phi = -0.639208254601 TCL: Center of mass = 0.827769143095 0.11296361327 -0.130437308631 TCL: atom 1: phi = -0.639129721583 TCL: Center of mass = 0.82908893422 0.112974554765 -0.130335964102 TCL: atom 1: phi = -0.639010715956 TCL: Center of mass = 0.830374153761 0.113024336303 -0.130218609876 TCL: atom 1: phi = -0.638926624768 TCL: Center of mass = 0.83163404831 0.113066645364 -0.130104833556 TCL: atom 1: phi = -0.638664398484 TCL: Center of mass = 0.832872966067 0.113078399622 -0.129956544624 TCL: atom 1: phi = -0.638303357889 TCL: Center of mass = 0.834111298708 0.113062668124 -0.129785040651 TCL: atom 1: phi = -0.63771096301 TCL: Center of mass = 0.835349064896 0.113042726252 -0.129616113691 TCL: atom 1: phi = -0.636964891641 TCL: Center of mass = 0.836593871648 0.1130005231 -0.129468637992 TCL: atom 1: phi = -0.635957261586 TCL: Center of mass = 0.8378617464 0.112962657972 -0.129347787072 TCL: atom 1: phi = -0.634823097648 TCL: Center of mass = 0.839144317955 0.112922977623 -0.129234031427 TCL: atom 1: phi = -0.633580278939 TCL: Center of mass = 0.840440333237 0.11289790038 -0.129139087225 TCL: atom 1: phi = -0.632306363196 TCL: Center of mass = 0.841728690644 0.112870684926 -0.129051962718 TCL: atom 1: phi = -0.631038395354 TCL: Center of mass = 0.842997514724 0.112860152542 -0.128950200711 TCL: atom 1: phi = -0.629899762193 TCL: Center of mass = 0.844283653252 0.112819596236 -0.128833799507 TCL: atom 1: phi = -0.628842499332 TCL: Center of mass = 0.845575707833 0.112741186349 -0.128703234611 TCL: atom 1: phi = -0.627992251895 TCL: Center of mass = 0.846869070681 0.112622561144 -0.128568879522 TCL: atom 1: phi = -0.627204627464 TCL: Center of mass = 0.848169908807 0.112456237788 -0.128434332726 TCL: atom 1: phi = -0.626578263761 TCL: Center of mass = 0.849494649909 0.112265660546 -0.128313385273 TCL: atom 1: phi = -0.6260483657 TCL: Center of mass = 0.850846287246 0.112060852671 -0.128237133287 TCL: atom 1: phi = -0.625693496095 TCL: Center of mass = 0.852216488848 0.111857488475 -0.128178569451 TCL: atom 1: phi = -0.625407769936 TCL: Center of mass = 0.853585836556 0.111671920376 -0.128144970592 TCL: atom 1: phi = -0.625338471198 TCL: Center of mass = 0.85493623688 0.111473151064 -0.128101767705 TCL: atom 1: phi = -0.625368377157 TCL: Center of mass = 0.85624596145 0.11127578392 -0.12805735071 TCL: atom 1: phi = -0.625607777465 TCL: Center of mass = 0.857519547138 0.111057194539 -0.127995027165 TCL: atom 1: phi = -0.625884144873 TCL: Center of mass = 0.858747648027 0.110806023144 -0.127905417732 TCL: atom 1: phi = -0.626240537048 TCL: Center of mass = 0.859936594413 0.110527336771 -0.127793589048 TCL: atom 1: phi = -0.62654111707 TCL: Center of mass = 0.861134532988 0.110244321994 -0.127695308872 TCL: atom 1: phi = -0.626819467675 TCL: Center of mass = 0.862365897156 0.109950538284 -0.127604596622 TCL: atom 1: phi = -0.627007188173 TCL: Center of mass = 0.863619954617 0.10966250511 -0.127561567807 TCL: atom 1: phi = -0.627197147633 TCL: Center of mass = 0.864920284255 0.109397036536 -0.127521929339 TCL: atom 1: phi = -0.627278935891 TCL: Center of mass = 0.866230101984 0.109156432942 -0.127472210326 TCL: atom 1: phi = -0.627384284331 TCL: Center of mass = 0.867561845929 0.108951264158 -0.127444038603 TCL: atom 1: phi = -0.627427227886 TCL: Center of mass = 0.868872643828 0.10875936272 -0.127417162138 TCL: atom 1: phi = -0.627569527488 TCL: Center of mass = 0.870180223102 0.108563061481 -0.127369475099 TCL: atom 1: phi = -0.627741321793 TCL: Center of mass = 0.871480155498 0.108353314705 -0.12728724253 TCL: atom 1: phi = -0.628013965976 TCL: Center of mass = 0.87280047325 0.10811111061 -0.127182092834 TCL: atom 1: phi = -0.628367196594 TCL: Center of mass = 0.874145507267 0.107840164274 -0.127091354063 TCL: atom 1: phi = -0.628773583737 TCL: Center of mass = 0.875557629248 0.107550408706 -0.127034811132 TCL: atom 1: phi = -0.629148887869 TCL: Center of mass = 0.877022995087 0.107252911755 -0.126999227813 TCL: atom 1: phi = -0.629617394368 TCL: Center of mass = 0.878558456904 0.106948202826 -0.126988543906 TCL: atom 1: phi = -0.630029832655 TCL: Center of mass = 0.880127896831 0.106650681446 -0.126997605729 TCL: atom 1: phi = -0.630439997216 TCL: Center of mass = 0.881698018931 0.106344384219 -0.127009470772 TCL: atom 1: phi = -0.630790360531 TCL: Center of mass = 0.883269005166 0.106054062768 -0.127013988098 TCL: atom 1: phi = -0.631176177753 TCL: Center of mass = 0.884803156503 0.105735105413 -0.126988567658 TCL: atom 1: phi = -0.631524884304 TCL: Center of mass = 0.886276803353 0.105393501541 -0.126949163403 TCL: atom 1: phi = -0.631903376531 TCL: Center of mass = 0.887741487555 0.105027512437 -0.126894672412 TCL: atom 1: phi = -0.63214308631 TCL: Center of mass = 0.889202107513 0.104656765537 -0.126846226962 TCL: atom 1: phi = -0.632262245193 TCL: Center of mass = 0.890691998432 0.104285851341 -0.126787934428 TCL: atom 1: phi = -0.632146324302 TCL: Center of mass = 0.892205348052 0.103919512016 -0.126737067067 TCL: atom 1: phi = -0.631899461545 TCL: Center of mass = 0.893771429526 0.103585400731 -0.126702862583 TCL: atom 1: phi = -0.631410733195 TCL: Center of mass = 0.895378720307 0.103246675845 -0.126680807367 TCL: atom 1: phi = -0.630796273173 TCL: Center of mass = 0.897000638302 0.102925704303 -0.126635949043 TCL: atom 1: phi = -0.630020440178 TCL: Center of mass = 0.89859624631 0.102614405444 -0.126546379875 TCL: atom 1: phi = -0.62929435987 TCL: Center of mass = 0.900174770682 0.10231266789 -0.126411259487 TCL: atom 1: phi = -0.628550121134 TCL: Center of mass = 0.901686190954 0.102023679616 -0.126237487366 TCL: atom 1: phi = -0.627953815515 TCL: Center of mass = 0.903164508633 0.101744781241 -0.126031193226 TCL: atom 1: phi = -0.627382509656 TCL: Center of mass = 0.904607636164 0.101467957117 -0.125809537548 TCL: atom 1: phi = -0.626984951333 TCL: Center of mass = 0.906064783289 0.101195208822 -0.125596640275 TCL: atom 1: phi = -0.62657950312 TCL: Center of mass = 0.907520785691 0.100948904271 -0.125399930548 TCL: atom 1: phi = -0.626340450299 TCL: Center of mass = 0.909006035773 0.100721244362 -0.125208776202 TCL: atom 1: phi = -0.626083905874 TCL: Center of mass = 0.91050837419 0.100537012969 -0.125054429634 TCL: atom 1: phi = -0.625957628866 TCL: Center of mass = 0.912058303409 0.100371196287 -0.124909446071 TCL: atom 1: phi = -0.625842996205 TCL: Center of mass = 0.913615937068 0.100205272449 -0.124759425837 TCL: atom 1: phi = -0.625988579143 TCL: Center of mass = 0.915176181528 0.100010699363 -0.124606255345 TCL: atom 1: phi = -0.62617669856 TCL: Center of mass = 0.916715197259 0.0997842640511 -0.124457357014 TCL: atom 1: phi = -0.626552189599 TCL: Center of mass = 0.918232277273 0.0995336715293 -0.124299715214 TCL: atom 1: phi = -0.626923582968 TCL: Center of mass = 0.919737460812 0.0992957993272 -0.124185868118 TCL: atom 1: phi = -0.627360425631 TCL: Center of mass = 0.92125569847 0.099048751887 -0.124136147317 TCL: atom 1: phi = -0.627623009267 TCL: Center of mass = 0.92278427222 0.0988110644905 -0.124155577205 TCL: atom 1: phi = -0.627803019796 TCL: Center of mass = 0.9243323348 0.0985838479605 -0.124227110987 TCL: atom 1: phi = -0.627738698928 TCL: Center of mass = 0.92590610827 0.098370076659 -0.124327702833 TCL: atom 1: phi = -0.627590089146 TCL: Center of mass = 0.927514496986 0.0981726622805 -0.124424088656 TCL: atom 1: phi = -0.627229128925 TCL: Center of mass = 0.929113504904 0.0979915573063 -0.124512345444 TCL: atom 1: phi = -0.626807434755 TCL: Center of mass = 0.930718321576 0.0978152671012 -0.124548556695 TCL: atom 1: phi = -0.626212150212 TCL: Center of mass = 0.932311738234 0.0976436697339 -0.124547323316 TCL: atom 1: phi = -0.62572489921 TCL: Center of mass = 0.93392787574 0.0974821464999 -0.124504547924 TCL: atom 1: phi = -0.625190115068 TCL: Center of mass = 0.935536483336 0.0973374194329 -0.124458269101 TCL: atom 1: phi = -0.624825189664 TCL: Center of mass = 0.937150364317 0.0972156183856 -0.124401848736 TCL: atom 1: phi = -0.624410601438 TCL: Center of mass = 0.938758047995 0.0971419351256 -0.124356962326 TCL: atom 1: phi = -0.624116992416 TCL: Center of mass = 0.94036117442 0.0970787392416 -0.124310952508 TCL: atom 1: phi = -0.623709562643 TCL: Center of mass = 0.94194501306 0.097037768593 -0.124250063585 TCL: atom 1: phi = -0.623412354285 TCL: Center of mass = 0.943533390715 0.0970017204544 -0.124171417583 TCL: atom 1: phi = -0.623050459342 TCL: Center of mass = 0.945087746739 0.0969721367934 -0.124072415559 TCL: atom 1: phi = -0.622995202164 TCL: Center of mass = 0.946653372097 0.096923881795 -0.123949955182 TCL: atom 1: phi = -0.623042663833 TCL: Center of mass = 0.948220785133 0.0968642174189 -0.123810240758 TCL: atom 1: phi = -0.623435332799 WRITING COORDINATES TO DCD FILE AT STEP 1000 WRITING COORDINATES TO RESTART FILE AT STEP 1000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1000 FINISHED WRITING RESTART VELOCITIES TIMING: 1000 CPU: 53.4939, 0.0532919/step Wall: 68.268, 0.0629512/step, 0.332242 hours remaining, 13604 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 1000 3400.6943 2446.3933 370.7490 38.2310 -45030.2933 4222.0039 0.0000 0.0000 9530.8828 -25021.3389 282.5341 -24879.7771 -24874.9819 283.2855 172.7634 -1734.7746 125000.0000 -1544.4051 -1547.4138 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000 TCL: Center of mass = 0.949789330678 0.0967716057123 -0.123658900332 TCL: atom 1: phi = -0.623935042393 TCL: Center of mass = 0.951356288005 0.096651011029 -0.12351256233 TCL: atom 1: phi = -0.624709006176 TCL: Center of mass = 0.95294007136 0.0965112347067 -0.12339239001 TCL: atom 1: phi = -0.62538639446 TCL: Center of mass = 0.954497978489 0.0963701840379 -0.123326958051 TCL: atom 1: phi = -0.626130034695 TCL: Center of mass = 0.956039716455 0.0962376733028 -0.123284463613 TCL: atom 1: phi = -0.626580703714 TCL: Center of mass = 0.957536100975 0.0961210488455 -0.123266623183 TCL: atom 1: phi = -0.626977345386 TCL: Center of mass = 0.95900846897 0.0959950770583 -0.123256333021 TCL: atom 1: phi = -0.627079175051 TCL: Center of mass = 0.960450425502 0.0958739068039 -0.123279116386 TCL: atom 1: phi = -0.627130557106 TCL: Center of mass = 0.961901297325 0.0957095968248 -0.123294796513 TCL: atom 1: phi = -0.627050301372 TCL: Center of mass = 0.963347258618 0.0955428571419 -0.123338241605 TCL: atom 1: phi = -0.627185458507 TCL: Center of mass = 0.964826977444 0.0953489011978 -0.123389871762 TCL: atom 1: phi = -0.627308408056 TCL: Center of mass = 0.966351290074 0.0951465560827 -0.123507545809 TCL: atom 1: phi = -0.627665527358 TCL: Center of mass = 0.967904438495 0.0949325966564 -0.123666458363 TCL: atom 1: phi = -0.628014608876 TCL: Center of mass = 0.969472909103 0.0947307272366 -0.123887435303 TCL: atom 1: phi = -0.62852327482 TCL: Center of mass = 0.971025504429 0.0945533849044 -0.124136714508 TCL: atom 1: phi = -0.628941924064 TCL: Center of mass = 0.972551855288 0.0944342493248 -0.124408569293 TCL: atom 1: phi = -0.629517190826 TCL: Center of mass = 0.974066765299 0.0943400182988 -0.12467160854 TCL: atom 1: phi = -0.630007346241 TCL: Center of mass = 0.975569067511 0.0942706369438 -0.12494723612 TCL: atom 1: phi = -0.630768549965 TCL: Center of mass = 0.977070447492 0.0941956350155 -0.125206704618 TCL: atom 1: phi = -0.631584571843 TCL: Center of mass = 0.978570994614 0.0941247324672 -0.125483773252 TCL: atom 1: phi = -0.632768399629 TCL: Center of mass = 0.980080895991 0.0940294435787 -0.125752099718 TCL: atom 1: phi = -0.634057201965 TCL: Center of mass = 0.98163217851 0.0939352173069 -0.126042489326 TCL: atom 1: phi = -0.635612998902 TCL: Center of mass = 0.983196098079 0.0938563540436 -0.126324633254 TCL: atom 1: phi = -0.637204234882 TCL: Center of mass = 0.984767157306 0.093801516068 -0.126606542686 TCL: atom 1: phi = -0.638869437595 TCL: Center of mass = 0.986350910529 0.0937668078342 -0.12686778249 TCL: atom 1: phi = -0.640281124625 TCL: Center of mass = 0.987921778401 0.0937735820385 -0.127111540767 TCL: atom 1: phi = -0.641576670494 TCL: Center of mass = 0.989450011158 0.0937727343719 -0.127308764682 TCL: atom 1: phi = -0.642511777453 TCL: Center of mass = 0.990941730396 0.0937649272169 -0.127479216535 TCL: atom 1: phi = -0.643312094188 TCL: Center of mass = 0.992418586781 0.0937229175824 -0.127624389536 TCL: atom 1: phi = -0.643874893763 TCL: Center of mass = 0.993853971826 0.093657450464 -0.127785010953 TCL: atom 1: phi = -0.644402778218 TCL: Center of mass = 0.995323793296 0.0935514981185 -0.127938807651 TCL: atom 1: phi = -0.644791248744 TCL: Center of mass = 0.996800563222 0.0934233147049 -0.128124038224 TCL: atom 1: phi = -0.645240274192 TCL: Center of mass = 0.998301151107 0.0932621240985 -0.128339287091 TCL: atom 1: phi = -0.645534330868 TCL: Center of mass = 0.999804996234 0.0931132990029 -0.128610261152 TCL: atom 1: phi = -0.645835132885 TCL: Center of mass = 1.00132909637 0.0929656226122 -0.128885250274 TCL: atom 1: phi = -0.645915682195 TCL: Center of mass = 1.00284979567 0.0928174802468 -0.129195573872 TCL: atom 1: phi = -0.645926128549 TCL: Center of mass = 1.00433618865 0.0926744743057 -0.129476364244 TCL: atom 1: phi = -0.645709619508 TCL: Center of mass = 1.00578150186 0.0925011775738 -0.12976926613 TCL: atom 1: phi = -0.645468131072 TCL: Center of mass = 1.00718900723 0.0922791884039 -0.130058098257 TCL: atom 1: phi = -0.645139975172 TCL: Center of mass = 1.0085679495 0.0920193787355 -0.130353258535 TCL: atom 1: phi = -0.644997511729 TCL: Center of mass = 1.00995592212 0.0917157445183 -0.130657190647 TCL: atom 1: phi = -0.644948451296 TCL: Center of mass = 1.01135563313 0.0914125875643 -0.130992427918 TCL: atom 1: phi = -0.645146630778 TCL: Center of mass = 1.01277496034 0.0911134703634 -0.131349004689 TCL: atom 1: phi = -0.645382245543 TCL: Center of mass = 1.01422191658 0.0908306577049 -0.131731322738 TCL: atom 1: phi = -0.645738131617 TCL: Center of mass = 1.01569384933 0.0905541793512 -0.132123819595 TCL: atom 1: phi = -0.645950823143 TCL: Center of mass = 1.01718430177 0.0902975948559 -0.132501793409 TCL: atom 1: phi = -0.646152555046 TCL: Center of mass = 1.01869170832 0.0900333539354 -0.132825414487 TCL: atom 1: phi = -0.646051493768 TCL: Center of mass = 1.02016959881 0.0897722919823 -0.13309956293 TCL: atom 1: phi = -0.645863783595 TCL: Center of mass = 1.02165538037 0.0894821105977 -0.133340889282 TCL: atom 1: phi = -0.645478725906 TCL: Center of mass = 1.02312335826 0.0891941409688 -0.133568386326 TCL: atom 1: phi = -0.645159224534 TCL: Center of mass = 1.02458509618 0.0888874475525 -0.133790336952 TCL: atom 1: phi = -0.644835866583 TCL: Center of mass = 1.02602742055 0.088606718029 -0.134034315504 TCL: atom 1: phi = -0.644718951084 TCL: Center of mass = 1.02747989307 0.0883174745254 -0.134281893584 TCL: atom 1: phi = -0.644622259395 TCL: Center of mass = 1.02894903174 0.0880657933653 -0.134531503131 TCL: atom 1: phi = -0.644702307452 TCL: Center of mass = 1.03044027085 0.0878354482623 -0.13477227641 TCL: atom 1: phi = -0.644656694357 TCL: Center of mass = 1.03194652684 0.0876080241657 -0.134990719671 TCL: atom 1: phi = -0.644598749858 TCL: Center of mass = 1.0334546171 0.0873602893929 -0.13515130757 TCL: atom 1: phi = -0.644358830374 TCL: Center of mass = 1.0349789034 0.0870911796872 -0.135285804262 TCL: atom 1: phi = -0.644193031848 TCL: Center of mass = 1.03650634361 0.0867834231403 -0.13538717516 TCL: atom 1: phi = -0.643946281647 TCL: Center of mass = 1.03801172647 0.0864714894274 -0.135478045871 TCL: atom 1: phi = -0.643837121876 TCL: Center of mass = 1.03948603462 0.0861148161704 -0.135555869764 TCL: atom 1: phi = -0.643807184366 TCL: Center of mass = 1.04094207717 0.085743466991 -0.135664237032 TCL: atom 1: phi = -0.644062313122 TCL: Center of mass = 1.04240686046 0.0853586803763 -0.135786702856 TCL: atom 1: phi = -0.64441647374 TCL: Center of mass = 1.04384202352 0.084993863573 -0.135931446768 TCL: atom 1: phi = -0.64500086424 TCL: Center of mass = 1.04529274342 0.0846215737126 -0.136058448689 TCL: atom 1: phi = -0.64552220279 TCL: Center of mass = 1.0467287352 0.0842733438846 -0.136162637861 TCL: atom 1: phi = -0.646030169828 TCL: Center of mass = 1.04817490599 0.0839024128758 -0.13621944001 TCL: atom 1: phi = -0.64630022981 TCL: Center of mass = 1.04961488631 0.0835329779051 -0.136246749588 TCL: atom 1: phi = -0.646474629078 TCL: Center of mass = 1.05105790906 0.0831408454648 -0.136247035501 TCL: atom 1: phi = -0.646354628868 TCL: Center of mass = 1.0525116408 0.0827357147876 -0.136226465779 TCL: atom 1: phi = -0.64619700632 TCL: Center of mass = 1.05396381761 0.0823023522438 -0.136205748395 TCL: atom 1: phi = -0.645988379609 TCL: Center of mass = 1.05541403028 0.0819028692129 -0.136191437125 TCL: atom 1: phi = -0.645946762297 TCL: Center of mass = 1.05684588012 0.0815008253408 -0.136184216462 TCL: atom 1: phi = -0.645931582182 TCL: Center of mass = 1.05824561758 0.0811490644099 -0.136188047662 TCL: atom 1: phi = -0.646107983396 TCL: Center of mass = 1.05959835049 0.080815060336 -0.136222728832 TCL: atom 1: phi = -0.64623562341 TCL: Center of mass = 1.06093173063 0.080508015152 -0.136248971873 TCL: atom 1: phi = -0.646387434538 TCL: Center of mass = 1.0622372817 0.0801941666305 -0.136270746022 TCL: atom 1: phi = -0.646374737988 TCL: Center of mass = 1.06354123749 0.0798851668302 -0.136274461505 TCL: atom 1: phi = -0.646350179406 TCL: Center of mass = 1.0648287462 0.0795542795319 -0.1362702261 TCL: atom 1: phi = -0.646189166727 TCL: Center of mass = 1.06613502043 0.079236095188 -0.136271554804 TCL: atom 1: phi = -0.64609352992 TCL: Center of mass = 1.06744719363 0.0788803631631 -0.136287213688 TCL: atom 1: phi = -0.645977811825 TCL: Center of mass = 1.06874736196 0.0785405096325 -0.136336132438 TCL: atom 1: phi = -0.646094077139 TCL: Center of mass = 1.0700173875 0.0781984511556 -0.136417664366 TCL: atom 1: phi = -0.646322721121 TCL: Center of mass = 1.0712682754 0.0779074577022 -0.136536808113 TCL: atom 1: phi = -0.646781840425 TCL: Center of mass = 1.07248910477 0.0776252355926 -0.136684082451 TCL: atom 1: phi = -0.647204309259 TCL: Center of mass = 1.07368217553 0.0773568520401 -0.1368612222 TCL: atom 1: phi = -0.647653426561 TCL: Center of mass = 1.07484566029 0.0770663745446 -0.137034526182 TCL: atom 1: phi = -0.647863583473 TCL: Center of mass = 1.07600326616 0.0767691872815 -0.137184837094 TCL: atom 1: phi = -0.647901969801 TCL: Center of mass = 1.07716819335 0.0764090461756 -0.13731665652 TCL: atom 1: phi = -0.647710239476 TCL: Center of mass = 1.07837343437 0.0760375428898 -0.137418960005 TCL: atom 1: phi = -0.64741647839 TCL: Center of mass = 1.0796112602 0.0756511979533 -0.137504507781 TCL: atom 1: phi = -0.646970505587 TCL: Center of mass = 1.08088454314 0.075287460345 -0.13760171192 TCL: atom 1: phi = -0.646576575417 TCL: Center of mass = 1.08216069318 0.0749242058855 -0.137694539461 TCL: atom 1: phi = -0.646188053423 TCL: Center of mass = 1.08344431 0.0746013356489 -0.137779628325 TCL: atom 1: phi = -0.645980554523 TCL: Center of mass = 1.08471672729 0.0742846852724 -0.137833266858 TCL: atom 1: phi = -0.645792261052 TCL: Center of mass = 1.08599674984 0.0739830322408 -0.13785368369 TCL: atom 1: phi = -0.645677191816 TCL: Center of mass = 1.08725770489 0.0736529307422 -0.137845507121 TCL: atom 1: phi = -0.645454483558 TCL: Center of mass = 1.08853037416 0.0733184672363 -0.137831058636 TCL: atom 1: phi = -0.6452024092 TCL: Center of mass = 1.08980939539 0.0729674026339 -0.137803708972 TCL: atom 1: phi = -0.644770425313 TCL: Center of mass = 1.09113536987 0.0726042670556 -0.137776199625 TCL: atom 1: phi = -0.644324121247 WRITING COORDINATES TO DCD FILE AT STEP 1100 WRITING COORDINATES TO RESTART FILE AT STEP 1100 FINISHED WRITING RESTART COORDINATES TIMING: 1100 CPU: 58.8261, 0.0533219/step Wall: 74.5413, 0.0627331/step, 0.329349 hours remaining, 13604 kB of memory in use. ENERGY: 1100 3376.7613 2359.7600 377.1101 38.4527 -44850.7046 4091.1427 0.0000 0.0000 9612.3210 -24995.1570 284.9483 -24853.8988 -24849.5427 283.3564 64.4476 -1779.3779 125000.0000 -1720.1415 -1720.1269 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100 WRITING VELOCITIES TO RESTART FILE AT STEP 1100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.09250324894 0.0722253553805 -0.137748691568 TCL: atom 1: phi = -0.643854236188 TCL: Center of mass = 1.09390900241 0.0718484582189 -0.137727132589 TCL: atom 1: phi = -0.643596944945 TCL: Center of mass = 1.09534247821 0.0714846109849 -0.137697630014 TCL: atom 1: phi = -0.643419016372 TCL: Center of mass = 1.09677287084 0.0711610841 -0.137677860777 TCL: atom 1: phi = -0.643497421753 TCL: Center of mass = 1.09817720519 0.0708396367061 -0.137619682631 TCL: atom 1: phi = -0.643633622056 TCL: Center of mass = 1.09954445051 0.0705288246312 -0.137559493943 TCL: atom 1: phi = -0.643901243551 TCL: Center of mass = 1.10089398758 0.0701775842451 -0.137473225179 TCL: atom 1: phi = -0.644106390137 TCL: Center of mass = 1.1022128649 0.0698234617452 -0.137399771709 TCL: atom 1: phi = -0.644298871065 TCL: Center of mass = 1.10353391934 0.0694124247714 -0.137322011065 TCL: atom 1: phi = -0.644294792393 TCL: Center of mass = 1.1048765789 0.0689787612665 -0.137252820938 TCL: atom 1: phi = -0.644231208016 TCL: Center of mass = 1.10623880828 0.0685437340185 -0.137189528627 TCL: atom 1: phi = -0.644012643131 TCL: Center of mass = 1.10764181284 0.0681353433752 -0.137146879151 TCL: atom 1: phi = -0.643750787203 TCL: Center of mass = 1.1090650984 0.0677219988991 -0.13711342531 TCL: atom 1: phi = -0.643374454511 TCL: Center of mass = 1.1105085937 0.0673486745517 -0.1370703637 TCL: atom 1: phi = -0.643020986057 TCL: Center of mass = 1.11195463887 0.0669723179966 -0.136990010232 TCL: atom 1: phi = -0.642599735097 TCL: Center of mass = 1.11342247009 0.0666351898005 -0.136882914639 TCL: atom 1: phi = -0.642149083951 TCL: Center of mass = 1.11489808923 0.0662865944169 -0.13674238725 TCL: atom 1: phi = -0.641474438921 TCL: Center of mass = 1.11636926099 0.0659592808855 -0.136589720498 TCL: atom 1: phi = -0.640631713693 TCL: Center of mass = 1.11784372655 0.0656076921592 -0.136432425445 TCL: atom 1: phi = -0.639492691516 TCL: Center of mass = 1.11934528967 0.0652743455551 -0.13628306557 TCL: atom 1: phi = -0.638230335187 TCL: Center of mass = 1.12085632251 0.0649292195057 -0.13615985262 TCL: atom 1: phi = -0.636848625654 TCL: Center of mass = 1.122423192 0.0646540079385 -0.136084066918 TCL: atom 1: phi = -0.635479166056 TCL: Center of mass = 1.12401440579 0.0643923113658 -0.136037460284 TCL: atom 1: phi = -0.63408196283 TCL: Center of mass = 1.12561727977 0.0641730114778 -0.136007801224 TCL: atom 1: phi = -0.632883744672 TCL: Center of mass = 1.12722243218 0.0639711238661 -0.135958918086 TCL: atom 1: phi = -0.631717899045 TCL: Center of mass = 1.12884585709 0.0638106600097 -0.135896860961 TCL: atom 1: phi = -0.630793295689 TCL: Center of mass = 1.13043014363 0.0636368866508 -0.13579048439 TCL: atom 1: phi = -0.629934128731 TCL: Center of mass = 1.1320016132 0.063487004497 -0.135702554104 TCL: atom 1: phi = -0.629216104813 TCL: Center of mass = 1.1335752053 0.0632909792694 -0.135620756009 TCL: atom 1: phi = -0.628470470341 TCL: Center of mass = 1.13516773849 0.0630823513342 -0.135592919423 TCL: atom 1: phi = -0.627834733086 TCL: Center of mass = 1.13678831026 0.0628516625197 -0.135585575103 TCL: atom 1: phi = -0.627152511851 TCL: Center of mass = 1.13842720074 0.0626339778491 -0.135637499465 TCL: atom 1: phi = -0.626620620448 TCL: Center of mass = 1.14007924149 0.0624090140097 -0.135725870034 TCL: atom 1: phi = -0.626051279137 TCL: Center of mass = 1.1417563889 0.0622130017424 -0.135831739362 TCL: atom 1: phi = -0.625688115583 TCL: Center of mass = 1.14345830044 0.062014811112 -0.135932434743 TCL: atom 1: phi = -0.625409990883 TCL: Center of mass = 1.14513817243 0.061856504653 -0.136018222157 TCL: atom 1: phi = -0.625391260016 TCL: Center of mass = 1.14683934537 0.061692632752 -0.136072441391 TCL: atom 1: phi = -0.625379045845 TCL: Center of mass = 1.14855056543 0.0615161522873 -0.13611372402 TCL: atom 1: phi = -0.625446618447 TCL: Center of mass = 1.15027231976 0.0612838254315 -0.136132692845 TCL: atom 1: phi = -0.625394302954 TCL: Center of mass = 1.15200946632 0.0610395551905 -0.136174505685 TCL: atom 1: phi = -0.625268019122 TCL: Center of mass = 1.15373773676 0.0607416553764 -0.136219743467 TCL: atom 1: phi = -0.624972153495 TCL: Center of mass = 1.1554618165 0.0604552074575 -0.136295899103 TCL: atom 1: phi = -0.624720583512 TCL: Center of mass = 1.15720244557 0.0601466021029 -0.136388372155 TCL: atom 1: phi = -0.624389712499 TCL: Center of mass = 1.15895978206 0.0598415666602 -0.136498226103 TCL: atom 1: phi = -0.62427886831 TCL: Center of mass = 1.16072389579 0.0595460864941 -0.136591743386 TCL: atom 1: phi = -0.624226165356 TCL: Center of mass = 1.16248258498 0.0592519362445 -0.13667735452 TCL: atom 1: phi = -0.624369262903 TCL: Center of mass = 1.16422709457 0.0589229828628 -0.136742841106 TCL: atom 1: phi = -0.624482617159 TCL: Center of mass = 1.16599958902 0.0585881443252 -0.136808211742 TCL: atom 1: phi = -0.624675593325 TCL: Center of mass = 1.16779714717 0.0582342427996 -0.136866267655 TCL: atom 1: phi = -0.624687999258 TCL: Center of mass = 1.16958725422 0.0578812262005 -0.136940787802 TCL: atom 1: phi = -0.624659508748 TCL: Center of mass = 1.17136507844 0.057520025155 -0.137059735515 TCL: atom 1: phi = -0.624433464802 TCL: Center of mass = 1.17312242002 0.0571750812024 -0.137207516866 TCL: atom 1: phi = -0.624185149853 TCL: Center of mass = 1.17485357878 0.0568251532598 -0.137382314599 TCL: atom 1: phi = -0.623794507629 TCL: Center of mass = 1.17652221453 0.0564712071147 -0.137584125996 TCL: atom 1: phi = -0.623389551658 TCL: Center of mass = 1.17816580664 0.0561275591692 -0.137790542531 TCL: atom 1: phi = -0.622884210298 TCL: Center of mass = 1.17978630823 0.0557982540635 -0.138007956509 TCL: atom 1: phi = -0.622514315005 TCL: Center of mass = 1.18140081788 0.0554723876675 -0.138215557348 TCL: atom 1: phi = -0.622021576267 TCL: Center of mass = 1.18302760076 0.0551513894708 -0.138440274594 TCL: atom 1: phi = -0.621534295398 TCL: Center of mass = 1.184683033 0.0548256907507 -0.138657366642 TCL: atom 1: phi = -0.620860490642 TCL: Center of mass = 1.18633893447 0.0545245443747 -0.138887474023 TCL: atom 1: phi = -0.620160303689 TCL: Center of mass = 1.18800261737 0.0542444252743 -0.139107400967 TCL: atom 1: phi = -0.61917096979 TCL: Center of mass = 1.18966508168 0.0539680444094 -0.139343658699 TCL: atom 1: phi = -0.618148496256 TCL: Center of mass = 1.19128405016 0.0536931223832 -0.139583587999 TCL: atom 1: phi = -0.616992496768 TCL: Center of mass = 1.1928606605 0.0534495485449 -0.139852027102 TCL: atom 1: phi = -0.615978403732 TCL: Center of mass = 1.19439277783 0.0531761224557 -0.14012077815 TCL: atom 1: phi = -0.615030561034 TCL: Center of mass = 1.19588773247 0.0528967515957 -0.140384705417 TCL: atom 1: phi = -0.614411004926 TCL: Center of mass = 1.19737225669 0.0525958780866 -0.140625109419 TCL: atom 1: phi = -0.613880788517 TCL: Center of mass = 1.19886678388 0.0523029220215 -0.140867211096 TCL: atom 1: phi = -0.613692470979 TCL: Center of mass = 1.2003779117 0.052001348208 -0.141137137683 TCL: atom 1: phi = -0.613596094535 TCL: Center of mass = 1.20190795753 0.0517072568879 -0.141443607456 TCL: atom 1: phi = -0.61377189457 TCL: Center of mass = 1.20344750484 0.051383596679 -0.141789267279 TCL: atom 1: phi = -0.61401704074 TCL: Center of mass = 1.20498738068 0.0510697765477 -0.14216157581 TCL: atom 1: phi = -0.614457100955 TCL: Center of mass = 1.20652503821 0.0507388195523 -0.142567809521 TCL: atom 1: phi = -0.614864237918 TCL: Center of mass = 1.20805242858 0.0504148604801 -0.143004288065 TCL: atom 1: phi = -0.615444839808 TCL: Center of mass = 1.20957044406 0.0500551582927 -0.143449012564 TCL: atom 1: phi = -0.616018504684 TCL: Center of mass = 1.21106860685 0.0496673862872 -0.143915540483 TCL: atom 1: phi = -0.616755859537 TCL: Center of mass = 1.21257126805 0.0492380440751 -0.144398734567 TCL: atom 1: phi = -0.617506886541 TCL: Center of mass = 1.21408184565 0.0487753221741 -0.144900253207 TCL: atom 1: phi = -0.618347663976 TCL: Center of mass = 1.21562638151 0.0483100047097 -0.145411546489 TCL: atom 1: phi = -0.619095096027 TCL: Center of mass = 1.2171926474 0.0478688613005 -0.145939220742 TCL: atom 1: phi = -0.619848038353 TCL: Center of mass = 1.21877750426 0.0474550284388 -0.146497999448 TCL: atom 1: phi = -0.620329461947 TCL: Center of mass = 1.22036521418 0.047073706379 -0.147043651318 TCL: atom 1: phi = -0.620751022259 TCL: Center of mass = 1.22192732403 0.0467255013228 -0.147569994686 TCL: atom 1: phi = -0.620869799834 TCL: Center of mass = 1.22344260836 0.0463986009026 -0.148066756197 TCL: atom 1: phi = -0.620975838929 TCL: Center of mass = 1.22493966914 0.0460553847827 -0.148530054266 TCL: atom 1: phi = -0.620871800515 TCL: Center of mass = 1.22640418639 0.0457150672788 -0.148944037771 TCL: atom 1: phi = -0.620784606556 TCL: Center of mass = 1.22785445244 0.0453402352986 -0.149319459873 TCL: atom 1: phi = -0.620602468612 TCL: Center of mass = 1.22929083994 0.0449592869007 -0.149687688877 TCL: atom 1: phi = -0.620510955713 TCL: Center of mass = 1.23074692347 0.0445650847043 -0.150052614423 TCL: atom 1: phi = -0.620376947293 TCL: Center of mass = 1.23221448014 0.0441730231403 -0.150432897381 TCL: atom 1: phi = -0.620297480677 TCL: Center of mass = 1.23370439695 0.0437900575019 -0.15079560616 TCL: atom 1: phi = -0.62019986431 TCL: Center of mass = 1.23518733234 0.0434503256523 -0.151169491338 TCL: atom 1: phi = -0.620171931717 TCL: Center of mass = 1.23667090029 0.0431262382177 -0.15154276897 TCL: atom 1: phi = -0.620062915424 TCL: Center of mass = 1.23815600115 0.0428286984693 -0.151893698893 TCL: atom 1: phi = -0.620029302783 TCL: Center of mass = 1.23964441292 0.0425184787491 -0.152237336447 TCL: atom 1: phi = -0.619877395079 TCL: Center of mass = 1.24112747428 0.0421773816558 -0.152599444361 TCL: atom 1: phi = -0.619809882299 TCL: Center of mass = 1.24264076739 0.0417803786038 -0.152970890557 TCL: atom 1: phi = -0.619679577926 TCL: Center of mass = 1.24415998817 0.0413288637419 -0.153390580223 TCL: atom 1: phi = -0.619683803516 TCL: Center of mass = 1.24569866604 0.0408392266711 -0.153846535277 TCL: atom 1: phi = -0.619645353602 TCL: Center of mass = 1.24726081466 0.0403404612981 -0.154350149651 TCL: atom 1: phi = -0.619685326806 WRITING COORDINATES TO DCD FILE AT STEP 1200 WRITING COORDINATES TO RESTART FILE AT STEP 1200 FINISHED WRITING RESTART COORDINATES TIMING: 1200 CPU: 64.1672, 0.0534119/step Wall: 80.8748, 0.0633351/step, 0.33075 hours remaining, 13604 kB of memory in use. ENERGY: 1200 3330.8861 2410.6986 385.9014 41.3509 -44647.8215 3924.3563 0.0000 0.0000 9611.9738 -24942.6544 284.9380 -24802.6708 -24794.5874 283.1474 -69.3675 -2030.1366 125000.0000 -1986.0124 -1985.6750 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200 WRITING VELOCITIES TO RESTART FILE AT STEP 1200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.2488415994 0.0398304408553 -0.154901222048 TCL: atom 1: phi = -0.619628243193 TCL: Center of mass = 1.25042593373 0.0393233002319 -0.155468223895 TCL: atom 1: phi = -0.619614350012 TCL: Center of mass = 1.25201829644 0.03880732864 -0.156044531985 TCL: atom 1: phi = -0.619442784317 TCL: Center of mass = 1.25359811731 0.0383220071611 -0.156608591476 TCL: atom 1: phi = -0.619318453799 TCL: Center of mass = 1.25514812741 0.037822726366 -0.157145263033 TCL: atom 1: phi = -0.61907905045 TCL: Center of mass = 1.25669933506 0.0373283129452 -0.157665572868 TCL: atom 1: phi = -0.618947525515 TCL: Center of mass = 1.25824933327 0.03681741705 -0.15816367972 TCL: atom 1: phi = -0.618780912195 TCL: Center of mass = 1.25978912899 0.0362963433995 -0.158656274811 TCL: atom 1: phi = -0.618888546917 TCL: Center of mass = 1.26133908512 0.0357471885823 -0.159126576901 TCL: atom 1: phi = -0.619070354619 TCL: Center of mass = 1.26290125961 0.03518114843 -0.159602949421 TCL: atom 1: phi = -0.619536175742 TCL: Center of mass = 1.2644666841 0.0346037426266 -0.160075640856 TCL: atom 1: phi = -0.620096635404 TCL: Center of mass = 1.26604068794 0.034046099779 -0.160549113242 TCL: atom 1: phi = -0.620876665187 TCL: Center of mass = 1.26760489178 0.0334886749888 -0.16101296072 TCL: atom 1: phi = -0.621673525961 TCL: Center of mass = 1.26914042439 0.0329490360531 -0.161479491534 TCL: atom 1: phi = -0.622567605915 TCL: Center of mass = 1.27069333151 0.0324031700585 -0.161932423131 TCL: atom 1: phi = -0.623459709434 TCL: Center of mass = 1.27222988598 0.0318688974172 -0.162363182026 TCL: atom 1: phi = -0.624392996565 TCL: Center of mass = 1.27377790516 0.0313087608517 -0.162818311111 TCL: atom 1: phi = -0.625293075946 TCL: Center of mass = 1.27534222981 0.0307397294085 -0.163305546877 TCL: atom 1: phi = -0.62627174018 TCL: Center of mass = 1.27695171037 0.0301240507064 -0.163821504494 TCL: atom 1: phi = -0.627180252633 TCL: Center of mass = 1.2785867454 0.0294855976903 -0.164402345692 TCL: atom 1: phi = -0.628149779155 TCL: Center of mass = 1.28024977615 0.0288209244973 -0.165019992934 TCL: atom 1: phi = -0.628886819921 TCL: Center of mass = 1.28190596747 0.0281591800627 -0.16566261102 TCL: atom 1: phi = -0.629583363335 TCL: Center of mass = 1.28357493464 0.0275192618793 -0.166338325094 TCL: atom 1: phi = -0.630025803174 TCL: Center of mass = 1.28522500731 0.026922290211 -0.167001458111 TCL: atom 1: phi = -0.630283177182 TCL: Center of mass = 1.28687504557 0.0263371823449 -0.167634818004 TCL: atom 1: phi = -0.630235257916 TCL: Center of mass = 1.28851869417 0.0257916032666 -0.168237238568 TCL: atom 1: phi = -0.630055368022 TCL: Center of mass = 1.29016195689 0.0252601375435 -0.168810788662 TCL: atom 1: phi = -0.629691068091 TCL: Center of mass = 1.29180605864 0.0247574813011 -0.169394044784 TCL: atom 1: phi = -0.629346219794 TCL: Center of mass = 1.29347311804 0.0242399396239 -0.169950906981 TCL: atom 1: phi = -0.628947166832 TCL: Center of mass = 1.29515492905 0.023760400164 -0.170521737658 TCL: atom 1: phi = -0.628732427041 TCL: Center of mass = 1.29685204023 0.0232716453249 -0.171099541065 TCL: atom 1: phi = -0.628533246063 TCL: Center of mass = 1.29851222858 0.022788222596 -0.171678987806 TCL: atom 1: phi = -0.628561127666 TCL: Center of mass = 1.30016543791 0.0223013919042 -0.172234840147 TCL: atom 1: phi = -0.628627396246 TCL: Center of mass = 1.30179540215 0.0218106758107 -0.17276954369 TCL: atom 1: phi = -0.628904496315 TCL: Center of mass = 1.3033924303 0.021284256582 -0.173262517323 TCL: atom 1: phi = -0.62926450582 TCL: Center of mass = 1.30495902718 0.0207493475416 -0.173759001723 TCL: atom 1: phi = -0.629795242818 TCL: Center of mass = 1.30650341929 0.020188938019 -0.174235795368 TCL: atom 1: phi = -0.630411844622 TCL: Center of mass = 1.30804169199 0.0196141542515 -0.174728510955 TCL: atom 1: phi = -0.631257610966 TCL: Center of mass = 1.30957860717 0.0190175171051 -0.175232177214 TCL: atom 1: phi = -0.632174250889 TCL: Center of mass = 1.31109595461 0.0184198792886 -0.175778355866 TCL: atom 1: phi = -0.633321235618 TCL: Center of mass = 1.31260308895 0.0178235033486 -0.176347343319 TCL: atom 1: phi = -0.634480891194 TCL: Center of mass = 1.31407428148 0.0172243432884 -0.17693074611 TCL: atom 1: phi = -0.63576093142 TCL: Center of mass = 1.31551542658 0.0166042201076 -0.177494337255 TCL: atom 1: phi = -0.636889494902 TCL: Center of mass = 1.31693189767 0.0159765488589 -0.178056739845 TCL: atom 1: phi = -0.637983777125 TCL: Center of mass = 1.31832805479 0.0153283576358 -0.178602139372 TCL: atom 1: phi = -0.638826212587 TCL: Center of mass = 1.3197218706 0.0146968469078 -0.179134514522 TCL: atom 1: phi = -0.639572684853 TCL: Center of mass = 1.32113362254 0.0140782374448 -0.179644592311 TCL: atom 1: phi = -0.640079542853 TCL: Center of mass = 1.32254515155 0.0135231228204 -0.180164955006 TCL: atom 1: phi = -0.640556776622 TCL: Center of mass = 1.32398378557 0.0130113513672 -0.180665869433 TCL: atom 1: phi = -0.640958896354 TCL: Center of mass = 1.3254256412 0.0125731872473 -0.181143008383 TCL: atom 1: phi = -0.64141018393 TCL: Center of mass = 1.32687113995 0.0121785839244 -0.18162871515 TCL: atom 1: phi = -0.64183112963 TCL: Center of mass = 1.32828315958 0.011833435916 -0.182105783852 TCL: atom 1: phi = -0.642360388254 TCL: Center of mass = 1.32966616623 0.0114827480288 -0.182576440944 TCL: atom 1: phi = -0.64276765592 TCL: Center of mass = 1.33100854826 0.0111395198135 -0.183022984218 TCL: atom 1: phi = -0.64319610739 TCL: Center of mass = 1.33233656014 0.0107807516321 -0.183473698521 TCL: atom 1: phi = -0.643467323125 TCL: Center of mass = 1.33363106376 0.0104301980443 -0.183921590865 TCL: atom 1: phi = -0.643742164513 TCL: Center of mass = 1.33495627049 0.0100763322836 -0.184347423603 TCL: atom 1: phi = -0.643909271341 TCL: Center of mass = 1.33628440753 0.00973946309542 -0.184765364904 TCL: atom 1: phi = -0.644095527285 TCL: Center of mass = 1.33763138851 0.00939108079193 -0.18519391572 TCL: atom 1: phi = -0.644170893505 TCL: Center of mass = 1.33898414184 0.00906958600264 -0.185639805486 TCL: atom 1: phi = -0.644250639572 TCL: Center of mass = 1.34031861204 0.00876588885883 -0.186091140558 TCL: atom 1: phi = -0.644152825922 TCL: Center of mass = 1.34162154721 0.00850895725811 -0.186561125619 TCL: atom 1: phi = -0.644067366818 TCL: Center of mass = 1.34291269115 0.00824822424895 -0.187047610136 TCL: atom 1: phi = -0.643748949109 TCL: Center of mass = 1.34418694031 0.00797101036028 -0.187547938395 TCL: atom 1: phi = -0.643305345858 TCL: Center of mass = 1.34546473978 0.00765008080892 -0.188063116337 TCL: atom 1: phi = -0.642557445936 TCL: Center of mass = 1.34674009596 0.00729270086651 -0.188602567361 TCL: atom 1: phi = -0.64167277095 TCL: Center of mass = 1.34803524254 0.00689757207079 -0.189147406181 TCL: atom 1: phi = -0.640528465601 TCL: Center of mass = 1.3493601666 0.00651919152726 -0.189726381776 TCL: atom 1: phi = -0.639392848303 TCL: Center of mass = 1.35072887384 0.00613804385582 -0.190304314801 TCL: atom 1: phi = -0.63819288358 TCL: Center of mass = 1.3521039979 0.00582720907944 -0.190897381227 TCL: atom 1: phi = -0.637132067449 TCL: Center of mass = 1.35349448113 0.00553971957581 -0.191465068329 TCL: atom 1: phi = -0.636134478858 TCL: Center of mass = 1.35487579428 0.00531071565517 -0.19202748449 TCL: atom 1: phi = -0.63538543902 TCL: Center of mass = 1.35623757844 0.00509464720082 -0.192558382368 TCL: atom 1: phi = -0.634693847308 TCL: Center of mass = 1.35760100804 0.00489274088975 -0.193053619059 TCL: atom 1: phi = -0.634161983756 TCL: Center of mass = 1.35895132649 0.00465993469439 -0.193540835489 TCL: atom 1: phi = -0.633555875638 TCL: Center of mass = 1.36027591745 0.00439047140708 -0.194005221291 TCL: atom 1: phi = -0.633146283379 TCL: Center of mass = 1.36159394441 0.00405213417065 -0.194486879858 TCL: atom 1: phi = -0.63277229766 TCL: Center of mass = 1.36292635865 0.00370659889357 -0.194957177418 TCL: atom 1: phi = -0.632583724385 TCL: Center of mass = 1.36426120602 0.00335309585569 -0.195428201099 TCL: atom 1: phi = -0.632400190513 TCL: Center of mass = 1.36559328589 0.0030284300899 -0.19591090903 TCL: atom 1: phi = -0.632383661535 TCL: Center of mass = 1.36691929683 0.00270597912296 -0.196368153233 TCL: atom 1: phi = -0.632278316266 TCL: Center of mass = 1.36824310646 0.00241262662871 -0.196804809142 TCL: atom 1: phi = -0.632217910131 TCL: Center of mass = 1.36952981301 0.00211248360034 -0.197200633056 TCL: atom 1: phi = -0.631999119986 TCL: Center of mass = 1.37078150099 0.0018220540366 -0.197589924098 TCL: atom 1: phi = -0.63169244995 TCL: Center of mass = 1.37202699203 0.00150306816737 -0.197966309427 TCL: atom 1: phi = -0.631014390992 TCL: Center of mass = 1.37324960861 0.00118532637157 -0.198360365671 TCL: atom 1: phi = -0.630095637196 TCL: Center of mass = 1.37444814319 0.000822891298262 -0.198773622704 TCL: atom 1: phi = -0.628806624276 TCL: Center of mass = 1.37564604299 0.000464715923227 -0.199211945771 TCL: atom 1: phi = -0.627354009633 TCL: Center of mass = 1.37686335588 0.000125831123553 -0.199683865664 TCL: atom 1: phi = -0.625669166483 TCL: Center of mass = 1.37809511354 -0.000159337767934 -0.200193638768 TCL: atom 1: phi = -0.624008349304 TCL: Center of mass = 1.37932384835 -0.000396785985183 -0.20071352851 TCL: atom 1: phi = -0.622264246816 TCL: Center of mass = 1.38051636673 -0.000542290921771 -0.201256400895 TCL: atom 1: phi = -0.620696150727 TCL: Center of mass = 1.38168857274 -0.000616094808698 -0.201797555102 TCL: atom 1: phi = -0.619151750305 TCL: Center of mass = 1.38285527017 -0.000602710415595 -0.202337295449 TCL: atom 1: phi = -0.6178736173 TCL: Center of mass = 1.38402745917 -0.000572549074056 -0.20286118739 TCL: atom 1: phi = -0.616642227424 TCL: Center of mass = 1.38518607274 -0.000500388700428 -0.203412564343 TCL: atom 1: phi = -0.615577608631 TCL: Center of mass = 1.38634287482 -0.000451645446937 -0.203987312402 TCL: atom 1: phi = -0.61455849473 TCL: Center of mass = 1.38750440031 -0.000399499604102 -0.204592046021 TCL: atom 1: phi = -0.61376045257 TCL: Center of mass = 1.3886709058 -0.000352544075366 -0.205176905632 TCL: atom 1: phi = -0.613042154299 TCL: Center of mass = 1.38984229841 -0.000306292146336 -0.205759405539 TCL: atom 1: phi = -0.612647053121 WRITING COORDINATES TO DCD FILE AT STEP 1300 WRITING COORDINATES TO RESTART FILE AT STEP 1300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1300 FINISHED WRITING RESTART VELOCITIES TIMING: 1300 CPU: 69.4964, 0.0532919/step Wall: 87.2481, 0.0637326/step, 0.331056 hours remaining, 13604 kB of memory in use. ENERGY: 1300 3378.2970 2455.1397 382.3361 31.7690 -44633.0383 3940.9115 0.0000 0.0000 9473.2775 -24971.3075 280.8265 -24830.9146 -24823.0922 282.1863 -408.7312 -2119.7317 125000.0000 -2053.9802 -2056.5180 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300 TCL: Center of mass = 1.39102326168 -0.000277367695304 -0.206319345233 TCL: atom 1: phi = -0.612432715868 TCL: Center of mass = 1.39222058736 -0.000217848694654 -0.206855283911 TCL: atom 1: phi = -0.612512910635 TCL: Center of mass = 1.39343158217 -0.000168907269521 -0.207344282785 TCL: atom 1: phi = -0.612669351253 TCL: Center of mass = 1.39467556488 -0.000127280660945 -0.207818510089 TCL: atom 1: phi = -0.613029551048 TCL: Center of mass = 1.39593308424 -0.000113451646176 -0.208242095477 TCL: atom 1: phi = -0.613289922224 TCL: Center of mass = 1.39719612919 -0.00013676452667 -0.208655973655 TCL: atom 1: phi = -0.613600410203 TCL: Center of mass = 1.39850366875 -0.000214353501703 -0.209046208645 TCL: atom 1: phi = -0.613770994347 TCL: Center of mass = 1.39980641912 -0.000330293012362 -0.209449398373 TCL: atom 1: phi = -0.614014155594 TCL: Center of mass = 1.40110246124 -0.000500304399264 -0.209846575501 TCL: atom 1: phi = -0.614155678893 TCL: Center of mass = 1.40238927138 -0.000679590135556 -0.210263048276 TCL: atom 1: phi = -0.614379766953 TCL: Center of mass = 1.4036640124 -0.000883926913989 -0.210668144028 TCL: atom 1: phi = -0.614567794975 TCL: Center of mass = 1.40491515856 -0.00110295030929 -0.211078481047 TCL: atom 1: phi = -0.614857256473 TCL: Center of mass = 1.40616596712 -0.00133491682297 -0.211458382946 TCL: atom 1: phi = -0.615156035939 TCL: Center of mass = 1.40741688363 -0.00156421799077 -0.211847233424 TCL: atom 1: phi = -0.615507774417 TCL: Center of mass = 1.40866977679 -0.00179509632655 -0.212237290254 TCL: atom 1: phi = -0.615769150413 TCL: Center of mass = 1.40994228297 -0.00198045251002 -0.212647323273 TCL: atom 1: phi = -0.616020568528 TCL: Center of mass = 1.4112107551 -0.00215757370169 -0.21309704257 TCL: atom 1: phi = -0.616132390733 TCL: Center of mass = 1.41250298267 -0.00226323052291 -0.213591784236 TCL: atom 1: phi = -0.616271735945 TCL: Center of mass = 1.41379361286 -0.0023495653762 -0.214106058065 TCL: atom 1: phi = -0.616270195694 TCL: Center of mass = 1.41506125052 -0.00237540832379 -0.214651245591 TCL: atom 1: phi = -0.616329347198 TCL: Center of mass = 1.41631128143 -0.00239908244151 -0.215212487592 TCL: atom 1: phi = -0.616327510706 TCL: Center of mass = 1.41752958696 -0.00238980444366 -0.215771633664 TCL: atom 1: phi = -0.616416733788 TCL: Center of mass = 1.41873325797 -0.00240203217054 -0.216325028708 TCL: atom 1: phi = -0.616419514573 TCL: Center of mass = 1.41994967348 -0.0024122905642 -0.216892935602 TCL: atom 1: phi = -0.616384765943 TCL: Center of mass = 1.42119057258 -0.00243530592682 -0.217465234007 TCL: atom 1: phi = -0.616136901471 TCL: Center of mass = 1.42246668688 -0.00245294459377 -0.218073710397 TCL: atom 1: phi = -0.615676846976 TCL: Center of mass = 1.42378715982 -0.00247135671279 -0.218693591681 TCL: atom 1: phi = -0.614886947096 TCL: Center of mass = 1.42513355463 -0.00246213424246 -0.219373686983 TCL: atom 1: phi = -0.613805805916 TCL: Center of mass = 1.42651497814 -0.00244427456796 -0.220065856626 TCL: atom 1: phi = -0.612475265138 TCL: Center of mass = 1.42790075417 -0.0024114764982 -0.220788117824 TCL: atom 1: phi = -0.611089505513 TCL: Center of mass = 1.42925987472 -0.00241356575317 -0.221519358072 TCL: atom 1: phi = -0.609571111302 TCL: Center of mass = 1.43056707937 -0.002397296287 -0.222252513388 TCL: atom 1: phi = -0.608078504866 TCL: Center of mass = 1.43185436406 -0.00242824599663 -0.222982672256 TCL: atom 1: phi = -0.606496453484 TCL: Center of mass = 1.43314349826 -0.00246515493416 -0.223713246163 TCL: atom 1: phi = -0.605011244121 TCL: Center of mass = 1.43442144616 -0.00254699729058 -0.224441629565 TCL: atom 1: phi = -0.603471643329 TCL: Center of mass = 1.43571698157 -0.00263607935754 -0.225190956945 TCL: atom 1: phi = -0.601990614679 TCL: Center of mass = 1.43703571514 -0.0027181164198 -0.225923616884 TCL: atom 1: phi = -0.600466645923 TCL: Center of mass = 1.4383509866 -0.00276236952317 -0.226653757958 TCL: atom 1: phi = -0.599042150361 TCL: Center of mass = 1.43964279463 -0.00278636202368 -0.227402595098 TCL: atom 1: phi = -0.597700963149 TCL: Center of mass = 1.44090591444 -0.00273856583832 -0.22815964802 TCL: atom 1: phi = -0.596597813565 TCL: Center of mass = 1.44214598065 -0.00264619767604 -0.228902762073 TCL: atom 1: phi = -0.595654002716 TCL: Center of mass = 1.44336917356 -0.00251201374336 -0.229604541177 TCL: atom 1: phi = -0.595048302252 TCL: Center of mass = 1.44456267362 -0.00237298804885 -0.230288262387 TCL: atom 1: phi = -0.594621387958 TCL: Center of mass = 1.44578040471 -0.00226047707603 -0.230959283639 TCL: atom 1: phi = -0.594562643994 TCL: Center of mass = 1.44702321262 -0.00217740365162 -0.231633352562 TCL: atom 1: phi = -0.594538666767 TCL: Center of mass = 1.4482986289 -0.00211700230309 -0.2322908375 TCL: atom 1: phi = -0.594639034752 TCL: Center of mass = 1.44963633853 -0.00206908105126 -0.232935995805 TCL: atom 1: phi = -0.594596728722 TCL: Center of mass = 1.45101043416 -0.00198112673545 -0.233586109976 TCL: atom 1: phi = -0.594583942499 TCL: Center of mass = 1.45242355085 -0.00185946050365 -0.234228512614 TCL: atom 1: phi = -0.594381924225 TCL: Center of mass = 1.45384817215 -0.00169127752676 -0.234834581464 TCL: atom 1: phi = -0.594147026996 TCL: Center of mass = 1.45527442302 -0.00150711303114 -0.235405246105 TCL: atom 1: phi = -0.593739030146 TCL: Center of mass = 1.45669467958 -0.00129906326183 -0.235951582437 TCL: atom 1: phi = -0.593375609911 TCL: Center of mass = 1.45810877458 -0.00111977626702 -0.236468928019 TCL: atom 1: phi = -0.592902094279 TCL: Center of mass = 1.4595167799 -0.000987312476105 -0.236944061037 TCL: atom 1: phi = -0.592506754101 TCL: Center of mass = 1.46093235281 -0.000931021172263 -0.237399557889 TCL: atom 1: phi = -0.591981852037 TCL: Center of mass = 1.46235589211 -0.00092615050603 -0.237848336031 TCL: atom 1: phi = -0.591402976152 TCL: Center of mass = 1.46379637162 -0.000998815819158 -0.238300118929 TCL: atom 1: phi = -0.590555964543 TCL: Center of mass = 1.46527404389 -0.00108913380338 -0.238749655147 TCL: atom 1: phi = -0.589632119322 TCL: Center of mass = 1.46676678286 -0.0011957911464 -0.239214303974 TCL: atom 1: phi = -0.58845293358 TCL: Center of mass = 1.46826989218 -0.00128318969357 -0.239665065903 TCL: atom 1: phi = -0.587249109025 TCL: Center of mass = 1.46977641229 -0.00137422553757 -0.240132230566 TCL: atom 1: phi = -0.585949008015 TCL: Center of mass = 1.47126008193 -0.00143683516355 -0.240571774341 TCL: atom 1: phi = -0.584746113016 TCL: Center of mass = 1.47271699531 -0.00154441093642 -0.241001340377 TCL: atom 1: phi = -0.583561307689 TCL: Center of mass = 1.47414818218 -0.00165402574667 -0.241418566768 TCL: atom 1: phi = -0.582575090863 TCL: Center of mass = 1.47555019707 -0.00181949878101 -0.241852678322 TCL: atom 1: phi = -0.581608257116 TCL: Center of mass = 1.47692584422 -0.00200955193558 -0.242295465808 TCL: atom 1: phi = -0.580807948484 TCL: Center of mass = 1.47828796685 -0.00221961208554 -0.242770281305 TCL: atom 1: phi = -0.57988338063 TCL: Center of mass = 1.47962317778 -0.00242087982573 -0.243281277096 TCL: atom 1: phi = -0.578986885564 TCL: Center of mass = 1.48095062011 -0.00260573866088 -0.243817757413 TCL: atom 1: phi = -0.577965073413 TCL: Center of mass = 1.48226020037 -0.00272843352974 -0.244362183541 TCL: atom 1: phi = -0.577024319504 TCL: Center of mass = 1.48356518851 -0.00282271447257 -0.244916006841 TCL: atom 1: phi = -0.575959819203 TCL: Center of mass = 1.48484446051 -0.00287564843266 -0.245452243212 TCL: atom 1: phi = -0.575124961644 TCL: Center of mass = 1.48613014084 -0.00289179288573 -0.245969289827 TCL: atom 1: phi = -0.574277757901 TCL: Center of mass = 1.48741411798 -0.00287116783115 -0.246452686782 TCL: atom 1: phi = -0.573730231214 TCL: Center of mass = 1.48869134488 -0.00284397304331 -0.24693414237 TCL: atom 1: phi = -0.573244666339 TCL: Center of mass = 1.48996973753 -0.0027878241757 -0.247417177846 TCL: atom 1: phi = -0.573031584909 TCL: Center of mass = 1.49125620378 -0.00271232145875 -0.247892990493 TCL: atom 1: phi = -0.572750046754 TCL: Center of mass = 1.49251220695 -0.00258395863236 -0.24837830299 TCL: atom 1: phi = -0.572629661174 TCL: Center of mass = 1.49374993108 -0.00242341871246 -0.24885030617 TCL: atom 1: phi = -0.572392688574 TCL: Center of mass = 1.49501226867 -0.00219195082964 -0.249298640209 TCL: atom 1: phi = -0.572327223873 TCL: Center of mass = 1.49630137258 -0.00190904895786 -0.249714109907 TCL: atom 1: phi = -0.572160140226 TCL: Center of mass = 1.49760861701 -0.00156019197944 -0.250098846585 TCL: atom 1: phi = -0.572159177577 TCL: Center of mass = 1.49895669955 -0.00122556994188 -0.250431062063 TCL: atom 1: phi = -0.572148076233 TCL: Center of mass = 1.500334078 -0.000860523970715 -0.2507221278 TCL: atom 1: phi = -0.572427812974 TCL: Center of mass = 1.5017229195 -0.000517968500684 -0.250974106667 TCL: atom 1: phi = -0.572738169643 TCL: Center of mass = 1.50313220068 -0.000169516956878 -0.251213923336 TCL: atom 1: phi = -0.573212177902 TCL: Center of mass = 1.50455091452 0.000167730643236 -0.251467189478 TCL: atom 1: phi = -0.573508552029 TCL: Center of mass = 1.50594431546 0.000534457075453 -0.251741145065 TCL: atom 1: phi = -0.573801150455 TCL: Center of mass = 1.50731367906 0.000909427899851 -0.25201526301 TCL: atom 1: phi = -0.573767086496 TCL: Center of mass = 1.50865741572 0.00130998897164 -0.25230617549 TCL: atom 1: phi = -0.573681554221 TCL: Center of mass = 1.5099819571 0.00172060109551 -0.252609609473 TCL: atom 1: phi = -0.573196423157 TCL: Center of mass = 1.51130931175 0.00213598234375 -0.25291792919 TCL: atom 1: phi = -0.572653247313 TCL: Center of mass = 1.51265800093 0.0025082952519 -0.253221574439 TCL: atom 1: phi = -0.571949216196 TCL: Center of mass = 1.51403403073 0.00285764114034 -0.253531780311 TCL: atom 1: phi = -0.571341390325 TCL: Center of mass = 1.51542964026 0.00316728914484 -0.253849211509 TCL: atom 1: phi = -0.570613455227 TCL: Center of mass = 1.51683331291 0.00346156002042 -0.254173639675 TCL: atom 1: phi = -0.570031922608 TCL: Center of mass = 1.5182244782 0.00374270585768 -0.254498236825 TCL: atom 1: phi = -0.569309770135 TCL: Center of mass = 1.51959449357 0.00402915154671 -0.254811907524 TCL: atom 1: phi = -0.568624236987 TCL: Center of mass = 1.5209410011 0.00432508730993 -0.255128807005 TCL: atom 1: phi = -0.567718603985 TCL: Center of mass = 1.52225838714 0.00467690764989 -0.255421457897 TCL: atom 1: phi = -0.566768048651 WRITING COORDINATES TO DCD FILE AT STEP 1400 WRITING COORDINATES TO RESTART FILE AT STEP 1400 FINISHED WRITING RESTART COORDINATES TIMING: 1400 CPU: 74.8276, 0.0533119/step Wall: 93.5612, 0.0631318/step, 0.326181 hours remaining, 13604 kB of memory in use. ENERGY: 1400 3449.6239 2349.1591 392.9331 43.9877 -44795.9221 4053.2689 0.0000 0.0000 9542.4583 -24964.4911 282.8773 -24822.1715 -24821.6065 283.1781 307.4144 -1587.5292 125000.0000 -1906.1446 -1903.9308 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400 WRITING VELOCITIES TO RESTART FILE AT STEP 1400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.52356147019 0.00503237758546 -0.255684339509 TCL: atom 1: phi = -0.565533769 TCL: Center of mass = 1.52485362843 0.00539965936617 -0.255937835765 TCL: atom 1: phi = -0.564389622361 TCL: Center of mass = 1.52618058017 0.00574588688759 -0.25616970443 TCL: atom 1: phi = -0.563201992327 TCL: Center of mass = 1.52755924874 0.00607299519828 -0.25638794495 TCL: atom 1: phi = -0.562229751987 TCL: Center of mass = 1.52900535765 0.00639173644269 -0.256609449664 TCL: atom 1: phi = -0.561339625084 TCL: Center of mass = 1.53050247105 0.00672871423362 -0.256818187081 TCL: atom 1: phi = -0.560719581545 TCL: Center of mass = 1.53203163065 0.00706132389066 -0.257029562215 TCL: atom 1: phi = -0.560068896584 TCL: Center of mass = 1.53351372493 0.00740157657873 -0.257241755201 TCL: atom 1: phi = -0.559608833707 TCL: Center of mass = 1.53497409542 0.00776825153604 -0.257459596201 TCL: atom 1: phi = -0.559051512479 TCL: Center of mass = 1.53640280244 0.00816268512764 -0.257697041181 TCL: atom 1: phi = -0.558633548808 TCL: Center of mass = 1.53778853157 0.00853966151619 -0.257969029081 TCL: atom 1: phi = -0.55809788901 TCL: Center of mass = 1.53915585508 0.00893258212663 -0.258262861273 TCL: atom 1: phi = -0.557647544632 TCL: Center of mass = 1.54051234884 0.00928890204983 -0.258589169105 TCL: atom 1: phi = -0.557054798989 TCL: Center of mass = 1.54186998008 0.00963791231842 -0.258977491296 TCL: atom 1: phi = -0.55664884959 TCL: Center of mass = 1.5432597139 0.00996549406056 -0.25940454341 TCL: atom 1: phi = -0.556172922403 TCL: Center of mass = 1.54467396412 0.0103084290766 -0.259910052742 TCL: atom 1: phi = -0.555934514947 TCL: Center of mass = 1.54610941949 0.010648351364 -0.260472581484 TCL: atom 1: phi = -0.555657435983 TCL: Center of mass = 1.54754150252 0.0110514665838 -0.261069253726 TCL: atom 1: phi = -0.555535068515 TCL: Center of mass = 1.54896686695 0.0115010714432 -0.261679338924 TCL: atom 1: phi = -0.555264957963 TCL: Center of mass = 1.55034426569 0.0119983941763 -0.262284175199 TCL: atom 1: phi = -0.55508873704 TCL: Center of mass = 1.55167655013 0.012494574199 -0.262850584337 TCL: atom 1: phi = -0.55475813243 TCL: Center of mass = 1.55297610221 0.0130098110587 -0.263395303138 TCL: atom 1: phi = -0.554572947308 TCL: Center of mass = 1.55428796 0.013479084126 -0.263936853578 TCL: atom 1: phi = -0.554326619796 TCL: Center of mass = 1.55560080808 0.0139493204673 -0.264475538602 TCL: atom 1: phi = -0.554357041868 TCL: Center of mass = 1.55694763723 0.0143825485244 -0.265013386039 TCL: atom 1: phi = -0.554402405946 TCL: Center of mass = 1.55834469612 0.0148196088815 -0.265547494095 TCL: atom 1: phi = -0.554801006968 TCL: Center of mass = 1.55978239682 0.0152593746727 -0.266048025005 TCL: atom 1: phi = -0.555270764106 TCL: Center of mass = 1.5612361283 0.0157379302308 -0.266518598489 TCL: atom 1: phi = -0.556026222418 TCL: Center of mass = 1.56272185662 0.0162392856798 -0.266939954467 TCL: atom 1: phi = -0.556681669308 TCL: Center of mass = 1.56420668821 0.0167654887028 -0.267308834218 TCL: atom 1: phi = -0.55742014266 TCL: Center of mass = 1.56569301548 0.0172813114813 -0.267616392489 TCL: atom 1: phi = -0.557941453748 TCL: Center of mass = 1.5671574269 0.0177861640856 -0.267870496468 TCL: atom 1: phi = -0.558491619801 TCL: Center of mass = 1.56862095466 0.0182304469985 -0.268104536053 TCL: atom 1: phi = -0.558842415783 TCL: Center of mass = 1.57007803475 0.0186005708353 -0.268341664617 TCL: atom 1: phi = -0.559328412025 TCL: Center of mass = 1.57156087746 0.018885625171 -0.268602988358 TCL: atom 1: phi = -0.55978812406 TCL: Center of mass = 1.57306277066 0.0191443717287 -0.268881139799 TCL: atom 1: phi = -0.560379499749 TCL: Center of mass = 1.57458715088 0.0193799162046 -0.269198011569 TCL: atom 1: phi = -0.560938412041 TCL: Center of mass = 1.57610988162 0.0196279602269 -0.269520910008 TCL: atom 1: phi = -0.561658204708 TCL: Center of mass = 1.57762456292 0.019888947922 -0.26983608168 TCL: atom 1: phi = -0.562208348913 TCL: Center of mass = 1.57911076821 0.0201582894641 -0.270122389367 TCL: atom 1: phi = -0.56281998853 TCL: Center of mass = 1.58057375182 0.0204097202533 -0.270392881582 TCL: atom 1: phi = -0.563188528734 TCL: Center of mass = 1.58200685464 0.0206479563608 -0.270631859951 TCL: atom 1: phi = -0.56354114741 TCL: Center of mass = 1.58344316198 0.0208418583197 -0.270860073209 TCL: atom 1: phi = -0.563699337548 TCL: Center of mass = 1.58482425938 0.0210044202022 -0.271067716984 TCL: atom 1: phi = -0.564017619902 TCL: Center of mass = 1.58618466932 0.0211428470366 -0.271285410292 TCL: atom 1: phi = -0.564321437992 TCL: Center of mass = 1.58751089698 0.0212852719383 -0.271488989321 TCL: atom 1: phi = -0.564875115567 TCL: Center of mass = 1.58882075151 0.0214315226673 -0.271706219017 TCL: atom 1: phi = -0.565503748987 TCL: Center of mass = 1.59010704708 0.0216162113769 -0.271898387654 TCL: atom 1: phi = -0.566345944688 TCL: Center of mass = 1.59138342519 0.0218374033452 -0.27207015136 TCL: atom 1: phi = -0.567116137126 TCL: Center of mass = 1.59264723725 0.0221364027795 -0.27219311284 TCL: atom 1: phi = -0.568026461099 TCL: Center of mass = 1.59391852309 0.0224524143265 -0.272291517854 TCL: atom 1: phi = -0.568805544592 TCL: Center of mass = 1.595184406 0.0227841940101 -0.272367581338 TCL: atom 1: phi = -0.569601670289 TCL: Center of mass = 1.5964736 0.0230921436154 -0.27242383939 TCL: atom 1: phi = -0.570224218377 TCL: Center of mass = 1.59774188894 0.0233695628664 -0.272476295494 TCL: atom 1: phi = -0.5708653079 TCL: Center of mass = 1.59900974838 0.0236081214806 -0.272526840605 TCL: atom 1: phi = -0.571384294959 TCL: Center of mass = 1.6002571521 0.0238399080739 -0.272579169103 TCL: atom 1: phi = -0.572017194673 TCL: Center of mass = 1.60149195078 0.0240558879576 -0.272650500842 TCL: atom 1: phi = -0.57253282618 TCL: Center of mass = 1.60270200191 0.0242807489794 -0.272741198604 TCL: atom 1: phi = -0.573126306181 TCL: Center of mass = 1.60391988872 0.0245061602147 -0.272855802987 TCL: atom 1: phi = -0.573580430938 TCL: Center of mass = 1.60511798192 0.0247097563603 -0.272961690336 TCL: atom 1: phi = -0.574014818954 TCL: Center of mass = 1.60634248849 0.0249102984181 -0.273047585574 TCL: atom 1: phi = -0.574179517942 TCL: Center of mass = 1.60756639873 0.025091706396 -0.27311917927 TCL: atom 1: phi = -0.574223852376 TCL: Center of mass = 1.60880756096 0.0252699405484 -0.273188838604 TCL: atom 1: phi = -0.574017021429 TCL: Center of mass = 1.61005455428 0.0254436923105 -0.273250928697 TCL: atom 1: phi = -0.573725780594 TCL: Center of mass = 1.61130984713 0.0255880519082 -0.273328309777 TCL: atom 1: phi = -0.573307593826 TCL: Center of mass = 1.61255182152 0.0257339373764 -0.273404931147 TCL: atom 1: phi = -0.573004558266 TCL: Center of mass = 1.61375601209 0.0258757177894 -0.27348952969 TCL: atom 1: phi = -0.572687610009 TCL: Center of mass = 1.61492907238 0.0260239449649 -0.273545269967 TCL: atom 1: phi = -0.572542162941 TCL: Center of mass = 1.61607636788 0.0261672391972 -0.273606797391 TCL: atom 1: phi = -0.572326347147 TCL: Center of mass = 1.6172024279 0.0263341039112 -0.27364248225 TCL: atom 1: phi = -0.572219560836 TCL: Center of mass = 1.61833352865 0.0264737490643 -0.273662220283 TCL: atom 1: phi = -0.57204499403 TCL: Center of mass = 1.61947010816 0.0265885998789 -0.273679708639 TCL: atom 1: phi = -0.571912062325 TCL: Center of mass = 1.62063650623 0.0266819128666 -0.273711290138 TCL: atom 1: phi = -0.571694160907 TCL: Center of mass = 1.62183600975 0.0267595716552 -0.273739256618 TCL: atom 1: phi = -0.571559045731 TCL: Center of mass = 1.62303934065 0.0268098316626 -0.273770172128 TCL: atom 1: phi = -0.571343650441 TCL: Center of mass = 1.62423965277 0.0268619786907 -0.273792660598 TCL: atom 1: phi = -0.571204256871 TCL: Center of mass = 1.62542810931 0.0269122107224 -0.273816820633 TCL: atom 1: phi = -0.57110847128 TCL: Center of mass = 1.62658369069 0.0269659853268 -0.273852415855 TCL: atom 1: phi = -0.571132685013 TCL: Center of mass = 1.62771302968 0.0270293374618 -0.273887540997 TCL: atom 1: phi = -0.571069214046 TCL: Center of mass = 1.62881359194 0.0271060367944 -0.273944039905 TCL: atom 1: phi = -0.571040575633 TCL: Center of mass = 1.62989791612 0.0271530713328 -0.274000486658 TCL: atom 1: phi = -0.57084340611 TCL: Center of mass = 1.63100065574 0.0271955318651 -0.274075440351 TCL: atom 1: phi = -0.570587698349 TCL: Center of mass = 1.63214646294 0.0271938816337 -0.274160281866 TCL: atom 1: phi = -0.570109335494 TCL: Center of mass = 1.63334165632 0.0271820007353 -0.27426159641 TCL: atom 1: phi = -0.569613087374 TCL: Center of mass = 1.63458028486 0.0271721229844 -0.274368541596 TCL: atom 1: phi = -0.568983052632 TCL: Center of mass = 1.6358534995 0.0271695668382 -0.274489165823 TCL: atom 1: phi = -0.56836574884 TCL: Center of mass = 1.63713082782 0.0271807115567 -0.274590640784 TCL: atom 1: phi = -0.567733022431 TCL: Center of mass = 1.63841743818 0.0272276056524 -0.274678730935 TCL: atom 1: phi = -0.567234472486 TCL: Center of mass = 1.63967696889 0.0273053204515 -0.274759020491 TCL: atom 1: phi = -0.566740102067 TCL: Center of mass = 1.64091828193 0.0274050853275 -0.274793845195 TCL: atom 1: phi = -0.566326624883 TCL: Center of mass = 1.64215687315 0.0274964059004 -0.274817483788 TCL: atom 1: phi = -0.565848041242 TCL: Center of mass = 1.64339380669 0.0275894838725 -0.274829316448 TCL: atom 1: phi = -0.565383520168 TCL: Center of mass = 1.64463655641 0.0276430939368 -0.27484356747 TCL: atom 1: phi = -0.564843677816 TCL: Center of mass = 1.64588880491 0.0276949521379 -0.274878138954 TCL: atom 1: phi = -0.564333075249 TCL: Center of mass = 1.64715192917 0.027733417379 -0.274929328636 TCL: atom 1: phi = -0.563770203806 TCL: Center of mass = 1.64844457087 0.0278007519579 -0.274976487189 TCL: atom 1: phi = -0.563343229924 TCL: Center of mass = 1.64973181686 0.0278752690984 -0.275017178874 TCL: atom 1: phi = -0.562974335191 TCL: Center of mass = 1.65101520809 0.0279974764511 -0.275025541246 TCL: atom 1: phi = -0.562678092405 TCL: Center of mass = 1.65230185778 0.0280977166461 -0.275028039403 TCL: atom 1: phi = -0.562363391109 TCL: Center of mass = 1.65356537175 0.028197005477 -0.275007329388 TCL: atom 1: phi = -0.562124060163 WRITING COORDINATES TO DCD FILE AT STEP 1500 WRITING COORDINATES TO RESTART FILE AT STEP 1500 FINISHED WRITING RESTART COORDINATES TIMING: 1500 CPU: 80.1608, 0.0533319/step Wall: 99.9294, 0.0636822/step, 0.327256 hours remaining, 13604 kB of memory in use. ENERGY: 1500 3444.6779 2374.2777 377.9783 36.3143 -44879.6747 4101.0236 0.0000 0.0000 9578.8830 -24966.5198 283.9571 -24824.6087 -24820.2595 283.6586 101.4953 -1700.4660 125000.0000 -1667.0135 -1670.0877 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500 WRITING VELOCITIES TO RESTART FILE AT STEP 1500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.65479340688 0.0282562739229 -0.275001893229 TCL: atom 1: phi = -0.561746056257 TCL: Center of mass = 1.65602732902 0.0283019170527 -0.275013565544 TCL: atom 1: phi = -0.561317799563 TCL: Center of mass = 1.65726789959 0.0282950502853 -0.275042401809 TCL: atom 1: phi = -0.560695097214 TCL: Center of mass = 1.65854921959 0.0282472652745 -0.275095021633 TCL: atom 1: phi = -0.560072883241 TCL: Center of mass = 1.65984036729 0.028188226063 -0.27516467639 TCL: atom 1: phi = -0.559339798494 TCL: Center of mass = 1.66117102572 0.0281553119426 -0.275246193456 TCL: atom 1: phi = -0.558687741213 TCL: Center of mass = 1.66251652637 0.0281539524544 -0.275333751041 TCL: atom 1: phi = -0.55797835532 TCL: Center of mass = 1.663869571 0.0282027845699 -0.275399998983 TCL: atom 1: phi = -0.557423902146 TCL: Center of mass = 1.66523490078 0.0282830608141 -0.27545436415 TCL: atom 1: phi = -0.556928950534 TCL: Center of mass = 1.66659586426 0.028389854809 -0.275491307257 TCL: atom 1: phi = -0.556631756762 TCL: Center of mass = 1.66793634367 0.0284888934121 -0.275531791317 TCL: atom 1: phi = -0.556396999456 TCL: Center of mass = 1.66926779201 0.0285832672625 -0.275578359109 TCL: atom 1: phi = -0.556326583513 TCL: Center of mass = 1.67059133411 0.0286342162068 -0.275647463969 TCL: atom 1: phi = -0.556268763749 TCL: Center of mass = 1.67193537073 0.0286795864766 -0.275751013432 TCL: atom 1: phi = -0.556363570948 TCL: Center of mass = 1.6732887421 0.0287275545033 -0.275880854391 TCL: atom 1: phi = -0.556430115629 TCL: Center of mass = 1.67464942399 0.0288225574658 -0.276042587629 TCL: atom 1: phi = -0.556663357453 TCL: Center of mass = 1.67603349813 0.0289272210303 -0.27619975186 TCL: atom 1: phi = -0.556923160505 TCL: Center of mass = 1.67743631458 0.0290758507811 -0.276368164457 TCL: atom 1: phi = -0.557323648978 TCL: Center of mass = 1.67883827059 0.0292242113136 -0.276525437107 TCL: atom 1: phi = -0.557721433125 TCL: Center of mass = 1.68022244285 0.0293915537857 -0.27667708546 TCL: atom 1: phi = -0.558176992875 TCL: Center of mass = 1.68159991107 0.0295464986243 -0.27680941511 TCL: atom 1: phi = -0.558525314324 TCL: Center of mass = 1.68297804771 0.0296611671434 -0.27694127927 TCL: atom 1: phi = -0.558874003077 TCL: Center of mass = 1.68436106229 0.0297250815743 -0.277091564219 TCL: atom 1: phi = -0.558986575111 TCL: Center of mass = 1.68575616723 0.029743775922 -0.27725961202 TCL: atom 1: phi = -0.558919242761 TCL: Center of mass = 1.68714704628 0.0297239917296 -0.277437275491 TCL: atom 1: phi = -0.558567116657 TCL: Center of mass = 1.68852484248 0.0297115554482 -0.277607862758 TCL: atom 1: phi = -0.558045985223 TCL: Center of mass = 1.68990687297 0.0296895129234 -0.277759508968 TCL: atom 1: phi = -0.557277748253 TCL: Center of mass = 1.69127587055 0.0296887199998 -0.277882949074 TCL: atom 1: phi = -0.556414008648 TCL: Center of mass = 1.69265492951 0.02966237388 -0.277978677855 TCL: atom 1: phi = -0.555363455026 TCL: Center of mass = 1.69403122875 0.0296336451284 -0.27802258831 TCL: atom 1: phi = -0.554316512724 TCL: Center of mass = 1.69543426175 0.0295608265028 -0.27801482653 TCL: atom 1: phi = -0.553084544118 TCL: Center of mass = 1.69684237761 0.0294932698963 -0.27796286301 TCL: atom 1: phi = -0.551855671997 TCL: Center of mass = 1.69823627126 0.0294187351281 -0.277871135207 TCL: atom 1: phi = -0.550500205663 TCL: Center of mass = 1.69964050235 0.0293224095772 -0.277766623715 TCL: atom 1: phi = -0.549098690322 TCL: Center of mass = 1.70103143231 0.0292075278778 -0.277641757988 TCL: atom 1: phi = -0.547525019246 TCL: Center of mass = 1.70242065956 0.029114778493 -0.277512498753 TCL: atom 1: phi = -0.545991044712 TCL: Center of mass = 1.70378124772 0.0290141816017 -0.27739163789 TCL: atom 1: phi = -0.544448729062 TCL: Center of mass = 1.70514904325 0.0289450615395 -0.277287557655 TCL: atom 1: phi = -0.543004602831 TCL: Center of mass = 1.7065203677 0.0289001425805 -0.277203527489 TCL: atom 1: phi = -0.541665217666 TCL: Center of mass = 1.70790796904 0.0288686153357 -0.277126945132 TCL: atom 1: phi = -0.540547512143 TCL: Center of mass = 1.70933072646 0.0288481339244 -0.277050231939 TCL: atom 1: phi = -0.539473877633 TCL: Center of mass = 1.71075252494 0.0288133628742 -0.276991043806 TCL: atom 1: phi = -0.538585925724 TCL: Center of mass = 1.71216916516 0.0287504295295 -0.276954284219 TCL: atom 1: phi = -0.537699407046 TCL: Center of mass = 1.71356264281 0.0286643236369 -0.276963833388 TCL: atom 1: phi = -0.536922387045 TCL: Center of mass = 1.71496055393 0.0285816289915 -0.277012638632 TCL: atom 1: phi = -0.536151138563 TCL: Center of mass = 1.71633187298 0.0285209779855 -0.277091363658 TCL: atom 1: phi = -0.535457038367 TCL: Center of mass = 1.71768407815 0.0284839866848 -0.277202292081 TCL: atom 1: phi = -0.534726345527 TCL: Center of mass = 1.71899532998 0.0284596238453 -0.277322601322 TCL: atom 1: phi = -0.534156228019 TCL: Center of mass = 1.72030125306 0.028440417025 -0.277443969381 TCL: atom 1: phi = -0.533649121014 TCL: Center of mass = 1.72159154436 0.0284110607744 -0.27754540244 TCL: atom 1: phi = -0.533310030286 TCL: Center of mass = 1.72290736977 0.0283874488278 -0.277618520928 TCL: atom 1: phi = -0.533008523269 TCL: Center of mass = 1.72420530101 0.0283605126765 -0.277690234753 TCL: atom 1: phi = -0.532883661703 TCL: Center of mass = 1.72553814336 0.0283319200297 -0.2777468967 TCL: atom 1: phi = -0.532848409478 TCL: Center of mass = 1.72687547151 0.0283257586255 -0.277789662594 TCL: atom 1: phi = -0.532932398348 TCL: Center of mass = 1.72822525638 0.0283346078355 -0.277835784614 TCL: atom 1: phi = -0.533025006553 TCL: Center of mass = 1.7295418266 0.0283740581967 -0.277872172024 TCL: atom 1: phi = -0.533185142705 TCL: Center of mass = 1.73082979384 0.0284106400281 -0.277902624705 TCL: atom 1: phi = -0.533302071399 TCL: Center of mass = 1.73205952052 0.0284527399541 -0.27791916919 TCL: atom 1: phi = -0.533508556581 TCL: Center of mass = 1.7332562373 0.028484265324 -0.277919628652 TCL: atom 1: phi = -0.533679002212 TCL: Center of mass = 1.73439406662 0.0285016074362 -0.277928460235 TCL: atom 1: phi = -0.533930682389 TCL: Center of mass = 1.73553911798 0.0284801448451 -0.277938548051 TCL: atom 1: phi = -0.534131061175 TCL: Center of mass = 1.73668137057 0.0284274778084 -0.277961632213 TCL: atom 1: phi = -0.534377944168 TCL: Center of mass = 1.73786797487 0.0283359777531 -0.277993212023 TCL: atom 1: phi = -0.534524548418 TCL: Center of mass = 1.73904256784 0.0282176413162 -0.278034092128 TCL: atom 1: phi = -0.534639941028 TCL: Center of mass = 1.74024441318 0.0280998200634 -0.278102676912 TCL: atom 1: phi = -0.534543482816 TCL: Center of mass = 1.74142818179 0.0280029330506 -0.278185445443 TCL: atom 1: phi = -0.534339112046 TCL: Center of mass = 1.74259471781 0.0279005711548 -0.278302508716 TCL: atom 1: phi = -0.533932144625 TCL: Center of mass = 1.74373149686 0.027805083235 -0.278432516714 TCL: atom 1: phi = -0.533437819966 TCL: Center of mass = 1.7448734302 0.0276708383115 -0.278572805489 TCL: atom 1: phi = -0.532801850608 TCL: Center of mass = 1.74598304937 0.0275064327867 -0.27874585485 TCL: atom 1: phi = -0.532187599004 TCL: Center of mass = 1.74710041791 0.0272853016411 -0.278941600767 TCL: atom 1: phi = -0.531578068908 TCL: Center of mass = 1.74823270592 0.0270513123014 -0.279147582901 TCL: atom 1: phi = -0.531110381868 TCL: Center of mass = 1.749403937 0.026791990457 -0.27934091969 TCL: atom 1: phi = -0.530687517721 TCL: Center of mass = 1.75059989377 0.0265663191743 -0.279524058155 TCL: atom 1: phi = -0.530317942826 TCL: Center of mass = 1.75185389859 0.0263666675493 -0.279680463151 TCL: atom 1: phi = -0.529943344136 TCL: Center of mass = 1.75309995848 0.0262331043296 -0.279819629528 TCL: atom 1: phi = -0.529648779697 TCL: Center of mass = 1.75436193212 0.0261220607615 -0.279946945612 TCL: atom 1: phi = -0.529308544752 TCL: Center of mass = 1.75558904425 0.0260483971465 -0.280042807572 TCL: atom 1: phi = -0.529104014319 TCL: Center of mass = 1.75677287091 0.025993114686 -0.28012724542 TCL: atom 1: phi = -0.528954490905 TCL: Center of mass = 1.7579078778 0.0259406358338 -0.280199928792 TCL: atom 1: phi = -0.528981320596 TCL: Center of mass = 1.75900386277 0.0258821910392 -0.280267790972 TCL: atom 1: phi = -0.529055322415 TCL: Center of mass = 1.76006431851 0.0258419636189 -0.280343075101 TCL: atom 1: phi = -0.529299545573 TCL: Center of mass = 1.7611358279 0.0257999442141 -0.280429690472 TCL: atom 1: phi = -0.529647391089 TCL: Center of mass = 1.76219623084 0.0257980047968 -0.280538536979 TCL: atom 1: phi = -0.530130957859 TCL: Center of mass = 1.76326877794 0.0258225738533 -0.280653599292 TCL: atom 1: phi = -0.530657316995 TCL: Center of mass = 1.76433643083 0.0258771551369 -0.280759288299 TCL: atom 1: phi = -0.531237759612 TCL: Center of mass = 1.76539022402 0.025952219783 -0.280862656265 TCL: atom 1: phi = -0.531697729736 TCL: Center of mass = 1.76643639176 0.026040311351 -0.28094540259 TCL: atom 1: phi = -0.532123697254 TCL: Center of mass = 1.76745760985 0.0261024588786 -0.281012220553 TCL: atom 1: phi = -0.532367057611 TCL: Center of mass = 1.76846272674 0.0261334599714 -0.281071864994 TCL: atom 1: phi = -0.532504354529 TCL: Center of mass = 1.76944605999 0.0261116899997 -0.281129917211 TCL: atom 1: phi = -0.532455258871 TCL: Center of mass = 1.77041338856 0.0260313370831 -0.281195223342 TCL: atom 1: phi = -0.532375967176 TCL: Center of mass = 1.77136771152 0.0259304643961 -0.281273481983 TCL: atom 1: phi = -0.532176888278 TCL: Center of mass = 1.77232394178 0.0257997872874 -0.281363741922 TCL: atom 1: phi = -0.53196220467 TCL: Center of mass = 1.77329122843 0.0256575732956 -0.281439547867 TCL: atom 1: phi = -0.531636807674 TCL: Center of mass = 1.77426072828 0.0255273410144 -0.281500935118 TCL: atom 1: phi = -0.531302548432 TCL: Center of mass = 1.77524935771 0.0253941995005 -0.281525674825 TCL: atom 1: phi = -0.530879415518 TCL: Center of mass = 1.77624387925 0.0252548221986 -0.281501726678 TCL: atom 1: phi = -0.530386786225 TCL: Center of mass = 1.77725305665 0.0250722954833 -0.281410316055 TCL: atom 1: phi = -0.529743582248 TCL: Center of mass = 1.77825462352 0.0248543367192 -0.281270225116 TCL: atom 1: phi = -0.529074325638 WRITING COORDINATES TO DCD FILE AT STEP 1600 WRITING COORDINATES TO RESTART FILE AT STEP 1600 FINISHED WRITING RESTART COORDINATES TIMING: 1600 CPU: 85.493, 0.0533219/step Wall: 106.275, 0.0634512/step, 0.324306 hours remaining, 13604 kB of memory in use. ENERGY: 1600 3433.1862 2437.6519 391.6856 35.2543 -44935.5810 4149.6148 0.0000 0.0000 9542.1378 -24946.0504 282.8678 -24804.0894 -24798.9308 283.9875 60.7256 -1459.3718 125000.0000 -1813.2735 -1813.5926 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600 WRITING VELOCITIES TO RESTART FILE AT STEP 1600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.77928741167 0.02457763352 -0.281115330586 TCL: atom 1: phi = -0.528268626357 TCL: Center of mass = 1.78031266488 0.0242817571298 -0.280970546156 TCL: atom 1: phi = -0.527570781446 TCL: Center of mass = 1.78132178727 0.0239670449989 -0.280853639949 TCL: atom 1: phi = -0.526936991468 TCL: Center of mass = 1.78231030184 0.0236758232573 -0.280760497079 TCL: atom 1: phi = -0.526497568869 TCL: Center of mass = 1.78330798824 0.0234009672058 -0.280683147685 TCL: atom 1: phi = -0.526106919394 TCL: Center of mass = 1.78430331551 0.0231592785114 -0.280620527756 TCL: atom 1: phi = -0.525866518586 TCL: Center of mass = 1.78532868294 0.0229498769111 -0.280556630597 TCL: atom 1: phi = -0.525530848832 TCL: Center of mass = 1.78638221589 0.0227775044388 -0.280467202664 TCL: atom 1: phi = -0.525258547825 TCL: Center of mass = 1.7874519222 0.0225976554465 -0.280365708285 TCL: atom 1: phi = -0.524918129174 TCL: Center of mass = 1.78854358548 0.0224231367888 -0.280250319148 TCL: atom 1: phi = -0.524658087637 TCL: Center of mass = 1.78967686154 0.022211156345 -0.280112734899 TCL: atom 1: phi = -0.52432508176 TCL: Center of mass = 1.79082209195 0.0220157920469 -0.27998382219 TCL: atom 1: phi = -0.524143207457 TCL: Center of mass = 1.79197535742 0.0218016448094 -0.279869103076 TCL: atom 1: phi = -0.523938375049 TCL: Center of mass = 1.79311749352 0.0216108628667 -0.279757313998 TCL: atom 1: phi = -0.523853655417 TCL: Center of mass = 1.79425859939 0.0214297960876 -0.279649265603 TCL: atom 1: phi = -0.523699941639 TCL: Center of mass = 1.79536875355 0.0212996883542 -0.279547733458 TCL: atom 1: phi = -0.523623543494 TCL: Center of mass = 1.79646570916 0.0211795230722 -0.279424732206 TCL: atom 1: phi = -0.523373921026 TCL: Center of mass = 1.79753859342 0.0210917324316 -0.279264832466 TCL: atom 1: phi = -0.523102387779 TCL: Center of mass = 1.79859992315 0.0209927195317 -0.279068073835 TCL: atom 1: phi = -0.522701043102 TCL: Center of mass = 1.79964728585 0.0208990649902 -0.278815210619 TCL: atom 1: phi = -0.52235239622 TCL: Center of mass = 1.80071473499 0.0207917703397 -0.27853291551 TCL: atom 1: phi = -0.521904650788 TCL: Center of mass = 1.80177578985 0.0206975865676 -0.278220893137 TCL: atom 1: phi = -0.521609459057 TCL: Center of mass = 1.80284803448 0.0205946173511 -0.27788255248 TCL: atom 1: phi = -0.521258582391 TCL: Center of mass = 1.80389895115 0.0205090519618 -0.277555113396 TCL: atom 1: phi = -0.521126703616 TCL: Center of mass = 1.80493375284 0.0204147545594 -0.27723927788 TCL: atom 1: phi = -0.520965355446 TCL: Center of mass = 1.8059384442 0.0203558082711 -0.276938378965 TCL: atom 1: phi = -0.520995174988 TCL: Center of mass = 1.80693492343 0.0203006072593 -0.276641011794 TCL: atom 1: phi = -0.520968795627 TCL: Center of mass = 1.80788767754 0.0202439569241 -0.276359235049 TCL: atom 1: phi = -0.521065337917 TCL: Center of mass = 1.80885085414 0.0201482572666 -0.27607904989 TCL: atom 1: phi = -0.521005787301 TCL: Center of mass = 1.80983240597 0.0200476274974 -0.275791200285 TCL: atom 1: phi = -0.521011451033 TCL: Center of mass = 1.81087389434 0.0199193526381 -0.275493567387 TCL: atom 1: phi = -0.520803518656 TCL: Center of mass = 1.81198321992 0.019802671909 -0.275216909053 TCL: atom 1: phi = -0.520692610993 TCL: Center of mass = 1.81314489723 0.0196760250987 -0.274951302633 TCL: atom 1: phi = -0.520465596593 TCL: Center of mass = 1.81431936468 0.0195895171432 -0.274698154883 TCL: atom 1: phi = -0.52043490604 TCL: Center of mass = 1.81549988687 0.01951616359 -0.274460444928 TCL: atom 1: phi = -0.52035681055 TCL: Center of mass = 1.81666024278 0.0194696982221 -0.274227503003 TCL: atom 1: phi = -0.52049877257 TCL: Center of mass = 1.81779347844 0.0194279318324 -0.274002343608 TCL: atom 1: phi = -0.520604186268 TCL: Center of mass = 1.81889234577 0.019411245837 -0.273759158926 TCL: atom 1: phi = -0.520834279307 TCL: Center of mass = 1.81999012614 0.0193533320189 -0.273518923598 TCL: atom 1: phi = -0.520869034505 TCL: Center of mass = 1.82107557255 0.0193017795094 -0.273281882917 TCL: atom 1: phi = -0.521074561643 TCL: Center of mass = 1.82218634759 0.0192396842548 -0.273019664506 TCL: atom 1: phi = -0.521174051009 TCL: Center of mass = 1.82330386783 0.0192043828825 -0.272758566977 TCL: atom 1: phi = -0.52144121823 TCL: Center of mass = 1.82445007452 0.0192017261127 -0.272482740306 TCL: atom 1: phi = -0.521824120575 TCL: Center of mass = 1.82555641454 0.0192546811148 -0.272204382926 TCL: atom 1: phi = -0.522575237646 TCL: Center of mass = 1.82661492867 0.0193391098608 -0.271914614347 TCL: atom 1: phi = -0.523477228521 TCL: Center of mass = 1.82761359963 0.0194515502249 -0.271625417553 TCL: atom 1: phi = -0.524744375026 TCL: Center of mass = 1.82856692901 0.019538582115 -0.271342231956 TCL: atom 1: phi = -0.526175648968 TCL: Center of mass = 1.82946042445 0.0195996421917 -0.271085797483 TCL: atom 1: phi = -0.527839861015 TCL: Center of mass = 1.83030833796 0.0196134802318 -0.27086328239 TCL: atom 1: phi = -0.529423693049 TCL: Center of mass = 1.83112592493 0.0196023645812 -0.270673470834 TCL: atom 1: phi = -0.53104248533 TCL: Center of mass = 1.83195172675 0.0195483328207 -0.270517168795 TCL: atom 1: phi = -0.53250639191 TCL: Center of mass = 1.83279236778 0.0195158118956 -0.270385262515 TCL: atom 1: phi = -0.534000778525 TCL: Center of mass = 1.83364114631 0.0194895245333 -0.270259790994 TCL: atom 1: phi = -0.535296062385 TCL: Center of mass = 1.83450354038 0.0194996388137 -0.270165788852 TCL: atom 1: phi = -0.53658757413 TCL: Center of mass = 1.83538312423 0.0195240680119 -0.270058452313 TCL: atom 1: phi = -0.537695144835 TCL: Center of mass = 1.83625647034 0.0195677176296 -0.269977145111 TCL: atom 1: phi = -0.538764592455 TCL: Center of mass = 1.83714153559 0.0196135121442 -0.26988668588 TCL: atom 1: phi = -0.539616244878 TCL: Center of mass = 1.83801358511 0.0196524242528 -0.269807261896 TCL: atom 1: phi = -0.540284260183 TCL: Center of mass = 1.83889072967 0.0196520707601 -0.269730786967 TCL: atom 1: phi = -0.540554351401 TCL: Center of mass = 1.83977097497 0.0196322936377 -0.269643979763 TCL: atom 1: phi = -0.540569733861 TCL: Center of mass = 1.84067490292 0.0195792545319 -0.269550087335 TCL: atom 1: phi = -0.540162452703 TCL: Center of mass = 1.84160162122 0.0195323472743 -0.269452313814 TCL: atom 1: phi = -0.539612649692 TCL: Center of mass = 1.842570526 0.019517538584 -0.269321342825 TCL: atom 1: phi = -0.538781841965 TCL: Center of mass = 1.84354549633 0.0195621714374 -0.269153052405 TCL: atom 1: phi = -0.537992556304 TCL: Center of mass = 1.84454813564 0.0196596206856 -0.268946150079 TCL: atom 1: phi = -0.537131620483 TCL: Center of mass = 1.84554675495 0.0198080731656 -0.26867502584 TCL: atom 1: phi = -0.536431736135 TCL: Center of mass = 1.84653058236 0.0199677487434 -0.268372435574 TCL: atom 1: phi = -0.535761331116 TCL: Center of mass = 1.84750726123 0.0201198184024 -0.26803297079 TCL: atom 1: phi = -0.535340965598 TCL: Center of mass = 1.84846944192 0.0202484574607 -0.267681083211 TCL: atom 1: phi = -0.534953856921 TCL: Center of mass = 1.84938711851 0.0203424046249 -0.26731591323 TCL: atom 1: phi = -0.534831947625 TCL: Center of mass = 1.85029960079 0.0203903628332 -0.266966699676 TCL: atom 1: phi = -0.534659820098 TCL: Center of mass = 1.85119499189 0.0204441495633 -0.266619072268 TCL: atom 1: phi = -0.534746972202 TCL: Center of mass = 1.85210007947 0.0204954980227 -0.266308974228 TCL: atom 1: phi = -0.534889846296 TCL: Center of mass = 1.85300748401 0.0205758584948 -0.266023375132 TCL: atom 1: phi = -0.535313559048 TCL: Center of mass = 1.85390533504 0.0206809497026 -0.26574479447 TCL: atom 1: phi = -0.535918618583 TCL: Center of mass = 1.85480570211 0.0208390888421 -0.2654928379 TCL: atom 1: phi = -0.536853282632 TCL: Center of mass = 1.85571470732 0.0209984929202 -0.265253576625 TCL: atom 1: phi = -0.53792980059 TCL: Center of mass = 1.85664754726 0.0211774874606 -0.265052783496 TCL: atom 1: phi = -0.539224843695 TCL: Center of mass = 1.85758962025 0.0212983398978 -0.264870506508 TCL: atom 1: phi = -0.540452100998 TCL: Center of mass = 1.85853352295 0.0214089142972 -0.264721201784 TCL: atom 1: phi = -0.541749575616 TCL: Center of mass = 1.85949855463 0.0214893782555 -0.264598492722 TCL: atom 1: phi = -0.542840810712 TCL: Center of mass = 1.86046245387 0.0215881073161 -0.264492043512 TCL: atom 1: phi = -0.543971211658 TCL: Center of mass = 1.86142710138 0.021681866496 -0.264411061609 TCL: atom 1: phi = -0.544972507082 TCL: Center of mass = 1.86238981372 0.0218040393733 -0.264319441838 TCL: atom 1: phi = -0.546086140892 TCL: Center of mass = 1.86337409081 0.0219472053681 -0.264225177608 TCL: atom 1: phi = -0.547223390173 TCL: Center of mass = 1.8643697948 0.0221262980758 -0.264084031364 TCL: atom 1: phi = -0.548513429472 TCL: Center of mass = 1.86538831964 0.0223082871535 -0.263892562766 TCL: atom 1: phi = -0.549795152923 TCL: Center of mass = 1.86641458697 0.0225176715868 -0.26364884845 TCL: atom 1: phi = -0.551237956973 TCL: Center of mass = 1.86746397133 0.0227076459857 -0.263360136308 TCL: atom 1: phi = -0.552617240622 TCL: Center of mass = 1.86854321785 0.0228941117209 -0.263056303555 TCL: atom 1: phi = -0.553955221618 TCL: Center of mass = 1.86963483131 0.0230392420461 -0.262750453572 TCL: atom 1: phi = -0.555038729947 TCL: Center of mass = 1.87070004416 0.0231798969968 -0.262439638867 TCL: atom 1: phi = -0.556025940962 TCL: Center of mass = 1.87172871989 0.023306110115 -0.262152408407 TCL: atom 1: phi = -0.556820030153 TCL: Center of mass = 1.87272311165 0.0234422899713 -0.261858974589 TCL: atom 1: phi = -0.557581141832 TCL: Center of mass = 1.87368461864 0.0235613809921 -0.261566375886 TCL: atom 1: phi = -0.558205896268 TCL: Center of mass = 1.87459271988 0.0236512582122 -0.261266651644 TCL: atom 1: phi = -0.558930150087 TCL: Center of mass = 1.87547526262 0.0237099932503 -0.260966928064 TCL: atom 1: phi = -0.559570298345 TCL: Center of mass = 1.87634812906 0.0237490675575 -0.260679964796 TCL: atom 1: phi = -0.560243842045 TCL: Center of mass = 1.87725527581 0.0237395228475 -0.260410408633 TCL: atom 1: phi = -0.560742421099 TCL: Center of mass = 1.87817584658 0.0236846101635 -0.260182195076 TCL: atom 1: phi = -0.561135720718 WRITING COORDINATES TO DCD FILE AT STEP 1700 WRITING COORDINATES TO RESTART FILE AT STEP 1700 FINISHED WRITING RESTART COORDINATES TIMING: 1700 CPU: 90.8102, 0.0531719/step Wall: 112.637, 0.0636194/step, 0.323399 hours remaining, 13604 kB of memory in use. ENERGY: 1700 3439.0670 2410.6125 390.0272 41.2139 -44811.9018 4098.0750 0.0000 0.0000 9541.1994 -24891.7068 282.8400 -24750.2905 -24742.6138 283.4396 -239.6181 -1681.1293 125000.0000 -1628.4740 -1623.6974 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700 WRITING VELOCITIES TO RESTART FILE AT STEP 1700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.87913670655 0.0236047620943 -0.259966354141 TCL: atom 1: phi = -0.561211838659 TCL: Center of mass = 1.88012038039 0.0235231559508 -0.259794308244 TCL: atom 1: phi = -0.561186753998 TCL: Center of mass = 1.88110941163 0.0234156766214 -0.259645925728 TCL: atom 1: phi = -0.560983435137 TCL: Center of mass = 1.88206337817 0.0233179653422 -0.259528897942 TCL: atom 1: phi = -0.56080023447 TCL: Center of mass = 1.88302198309 0.023202945191 -0.259418911961 TCL: atom 1: phi = -0.560545700879 TCL: Center of mass = 1.8839559335 0.0230768656704 -0.259321653393 TCL: atom 1: phi = -0.560516530856 TCL: Center of mass = 1.88488954484 0.022944286294 -0.259225511472 TCL: atom 1: phi = -0.560548309022 TCL: Center of mass = 1.88583012692 0.0228147095234 -0.25912711359 TCL: atom 1: phi = -0.560856891353 TCL: Center of mass = 1.88684352786 0.0226655567965 -0.259012076955 TCL: atom 1: phi = -0.561249695483 TCL: Center of mass = 1.8879137131 0.0225445022177 -0.258867367762 TCL: atom 1: phi = -0.561823047937 TCL: Center of mass = 1.88906246979 0.0224160948485 -0.25869858799 TCL: atom 1: phi = -0.562436642709 TCL: Center of mass = 1.89028467431 0.0223402069583 -0.258516923348 TCL: atom 1: phi = -0.563218611658 TCL: Center of mass = 1.89155397911 0.0223021991745 -0.258318017129 TCL: atom 1: phi = -0.564046497906 TCL: Center of mass = 1.8928261869 0.0223140981969 -0.258143159533 TCL: atom 1: phi = -0.565023951065 TCL: Center of mass = 1.89408437078 0.0223469954207 -0.25797967328 TCL: atom 1: phi = -0.566058595702 TCL: Center of mass = 1.89531828748 0.02240339547 -0.257816255895 TCL: atom 1: phi = -0.56728821353 TCL: Center of mass = 1.89653090248 0.0224489329946 -0.257664652959 TCL: atom 1: phi = -0.568632982744 TCL: Center of mass = 1.89768837991 0.0224858164829 -0.257522281824 TCL: atom 1: phi = -0.570143067121 TCL: Center of mass = 1.89886223313 0.0224925040026 -0.25738558292 TCL: atom 1: phi = -0.571562134141 TCL: Center of mass = 1.90001612655 0.0225075035684 -0.25724242673 TCL: atom 1: phi = -0.572972016145 TCL: Center of mass = 1.90121053935 0.0225147603911 -0.257107585021 TCL: atom 1: phi = -0.57412398161 TCL: Center of mass = 1.90241953572 0.0225387644781 -0.256979233063 TCL: atom 1: phi = -0.575063022193 TCL: Center of mass = 1.90365315671 0.022578518139 -0.256836518516 TCL: atom 1: phi = -0.575698295899 TCL: Center of mass = 1.90485815751 0.0226458111256 -0.256698744466 TCL: atom 1: phi = -0.576079703423 TCL: Center of mass = 1.90606561233 0.0227085160079 -0.256554719946 TCL: atom 1: phi = -0.576193715937 TCL: Center of mass = 1.90723345168 0.0227716408541 -0.256429982049 TCL: atom 1: phi = -0.576166686185 TCL: Center of mass = 1.90838814285 0.022791288148 -0.256304016864 TCL: atom 1: phi = -0.575976382061 TCL: Center of mass = 1.90950877509 0.0227805058562 -0.256188377885 TCL: atom 1: phi = -0.575755427943 TCL: Center of mass = 1.9106424675 0.0227324880767 -0.256070144434 TCL: atom 1: phi = -0.575409989594 TCL: Center of mass = 1.91179097836 0.0226610750228 -0.255966730399 TCL: atom 1: phi = -0.574938671281 TCL: Center of mass = 1.91297887493 0.0225664355192 -0.255843378392 TCL: atom 1: phi = -0.574282167717 TCL: Center of mass = 1.91419874763 0.0225115065549 -0.255723529806 TCL: atom 1: phi = -0.573487289254 TCL: Center of mass = 1.9154714056 0.022491668089 -0.255594633234 TCL: atom 1: phi = -0.572534300288 TCL: Center of mass = 1.91675630016 0.0225071750839 -0.255425120899 TCL: atom 1: phi = -0.571591685454 TCL: Center of mass = 1.91808292708 0.022535174974 -0.255231102957 TCL: atom 1: phi = -0.570558796716 TCL: Center of mass = 1.91941128379 0.0225889138181 -0.255014726115 TCL: atom 1: phi = -0.569757461528 TCL: Center of mass = 1.92076827209 0.0226204437811 -0.25478762954 TCL: atom 1: phi = -0.569091572789 TCL: Center of mass = 1.92210532698 0.0226403486015 -0.25454796704 TCL: atom 1: phi = -0.568698695701 TCL: Center of mass = 1.92343539201 0.0226390602885 -0.254338092078 TCL: atom 1: phi = -0.568506649537 TCL: Center of mass = 1.92474514806 0.0226064132856 -0.254156590307 TCL: atom 1: phi = -0.568568916207 TCL: Center of mass = 1.92607169833 0.0225528222243 -0.253987552985 TCL: atom 1: phi = -0.568694631372 TCL: Center of mass = 1.92741287475 0.0225153586731 -0.253812958237 TCL: atom 1: phi = -0.568918971162 TCL: Center of mass = 1.92877133058 0.0224904292144 -0.253648906253 TCL: atom 1: phi = -0.569088396825 TCL: Center of mass = 1.93011576175 0.0224982264858 -0.253496479176 TCL: atom 1: phi = -0.569355299997 TCL: Center of mass = 1.93145853384 0.0225317652032 -0.253364113631 TCL: atom 1: phi = -0.569625796715 TCL: Center of mass = 1.93279516653 0.0225719372937 -0.253230569486 TCL: atom 1: phi = -0.570122831613 TCL: Center of mass = 1.93411071346 0.0225990614298 -0.253120625845 TCL: atom 1: phi = -0.570672670374 TCL: Center of mass = 1.93538306257 0.0225830702157 -0.253031338521 TCL: atom 1: phi = -0.571408756163 TCL: Center of mass = 1.93662488275 0.0225394702087 -0.252975672477 TCL: atom 1: phi = -0.572235306761 TCL: Center of mass = 1.93779245346 0.0224857473194 -0.252954903124 TCL: atom 1: phi = -0.573237136584 TCL: Center of mass = 1.93892831916 0.0224251553732 -0.252958251625 TCL: atom 1: phi = -0.574177437754 TCL: Center of mass = 1.94003278939 0.0223812167854 -0.252988772541 TCL: atom 1: phi = -0.575079502141 TCL: Center of mass = 1.94112474774 0.0223520068814 -0.253003462984 TCL: atom 1: phi = -0.575824095081 TCL: Center of mass = 1.94223705815 0.0223779706735 -0.252995082624 TCL: atom 1: phi = -0.576505730326 TCL: Center of mass = 1.94336651369 0.0224194563118 -0.252960228626 TCL: atom 1: phi = -0.577067246947 TCL: Center of mass = 1.94450559773 0.0224750843679 -0.252872968112 TCL: atom 1: phi = -0.577639347103 TCL: Center of mass = 1.9456506175 0.0225058148825 -0.252755218316 TCL: atom 1: phi = -0.578174657481 TCL: Center of mass = 1.94679041979 0.0225315889622 -0.252617667332 TCL: atom 1: phi = -0.578780212721 TCL: Center of mass = 1.94792724992 0.0225348773509 -0.252455832995 TCL: atom 1: phi = -0.57936783935 TCL: Center of mass = 1.9490775329 0.0225389021134 -0.252281528317 TCL: atom 1: phi = -0.579952351124 TCL: Center of mass = 1.95024717038 0.0225218918739 -0.252122300938 TCL: atom 1: phi = -0.580391564104 TCL: Center of mass = 1.95142970532 0.02251096736 -0.251948734797 TCL: atom 1: phi = -0.580700140714 TCL: Center of mass = 1.95261943288 0.022498368342 -0.251781623788 TCL: atom 1: phi = -0.58077340586 TCL: Center of mass = 1.95381797029 0.0225034761608 -0.251613570667 TCL: atom 1: phi = -0.580684093319 TCL: Center of mass = 1.95502194603 0.0225152749452 -0.251431537275 TCL: atom 1: phi = -0.580351118452 TCL: Center of mass = 1.95624881988 0.0225120378659 -0.251232054407 TCL: atom 1: phi = -0.579943842976 TCL: Center of mass = 1.95750075781 0.0224736593065 -0.251036934124 TCL: atom 1: phi = -0.579414205819 TCL: Center of mass = 1.95874925156 0.0224140358743 -0.250853945792 TCL: atom 1: phi = -0.578898940256 TCL: Center of mass = 1.96001617167 0.0223262689931 -0.250700391439 TCL: atom 1: phi = -0.578378388899 TCL: Center of mass = 1.9612629262 0.0222376882645 -0.250592683068 TCL: atom 1: phi = -0.577941380691 TCL: Center of mass = 1.96249160433 0.0221284702024 -0.250513276344 TCL: atom 1: phi = -0.57742647473 TCL: Center of mass = 1.96369602845 0.0220508622262 -0.250470172521 TCL: atom 1: phi = -0.576952945712 TCL: Center of mass = 1.96485667478 0.0219794328427 -0.250448182816 TCL: atom 1: phi = -0.576364316426 TCL: Center of mass = 1.96596645234 0.0219610785594 -0.250436040126 TCL: atom 1: phi = -0.575813171863 TCL: Center of mass = 1.96705211446 0.0219428430825 -0.250429324034 TCL: atom 1: phi = -0.575236243687 TCL: Center of mass = 1.96810703087 0.021959606631 -0.250432501899 TCL: atom 1: phi = -0.574707710063 TCL: Center of mass = 1.96915207654 0.0219701996723 -0.25043400874 TCL: atom 1: phi = -0.574258233354 TCL: Center of mass = 1.97019370611 0.0219849555983 -0.250459843642 TCL: atom 1: phi = -0.574041104946 TCL: Center of mass = 1.97124868572 0.0219884598254 -0.250484231035 TCL: atom 1: phi = -0.57397347117 TCL: Center of mass = 1.9723150387 0.0220342537389 -0.250504632543 TCL: atom 1: phi = -0.57425381026 TCL: Center of mass = 1.97338714621 0.0220997655263 -0.250526778576 TCL: atom 1: phi = -0.574668025491 TCL: Center of mass = 1.97447624178 0.0221900033379 -0.250551455697 TCL: atom 1: phi = -0.575297656891 TCL: Center of mass = 1.97554204314 0.0222775938383 -0.250563955968 TCL: atom 1: phi = -0.575958553984 TCL: Center of mass = 1.97660933614 0.0223968759276 -0.25058361875 TCL: atom 1: phi = -0.576699367608 TCL: Center of mass = 1.97766693014 0.0225093122968 -0.250592913053 TCL: atom 1: phi = -0.577373368765 TCL: Center of mass = 1.97873377814 0.0226236036632 -0.250596808155 TCL: atom 1: phi = -0.578081633827 TCL: Center of mass = 1.9797942564 0.0227131552655 -0.250611081726 TCL: atom 1: phi = -0.578707075507 TCL: Center of mass = 1.98088299158 0.0227932897486 -0.250649275728 TCL: atom 1: phi = -0.579385173003 TCL: Center of mass = 1.98200545226 0.0228552845556 -0.250696693611 TCL: atom 1: phi = -0.579974670251 TCL: Center of mass = 1.98317216917 0.0229302604755 -0.250786284922 TCL: atom 1: phi = -0.580527464805 TCL: Center of mass = 1.98438110495 0.0229983192459 -0.250883311805 TCL: atom 1: phi = -0.580969338521 TCL: Center of mass = 1.98563110276 0.0230883001664 -0.251018262993 TCL: atom 1: phi = -0.581258303382 TCL: Center of mass = 1.9869097043 0.023202983996 -0.251142635871 TCL: atom 1: phi = -0.581242382949 TCL: Center of mass = 1.98819834628 0.0233257946102 -0.251285004269 TCL: atom 1: phi = -0.580967147181 TCL: Center of mass = 1.98948011301 0.0234399314653 -0.2514342949 TCL: atom 1: phi = -0.580345477771 TCL: Center of mass = 1.99075623566 0.0235496183939 -0.251595216307 TCL: atom 1: phi = -0.579535777499 TCL: Center of mass = 1.99202035411 0.0236237476013 -0.25175815251 TCL: atom 1: phi = -0.578499416343 TCL: Center of mass = 1.99329710322 0.0236687759681 -0.25193073987 TCL: atom 1: phi = -0.577386212019 TCL: Center of mass = 1.99456602765 0.023689492747 -0.25208917697 TCL: atom 1: phi = -0.57618274564 TCL: Center of mass = 1.99585820222 0.0237213414744 -0.252241466594 TCL: atom 1: phi = -0.575070595907 WRITING COORDINATES TO DCD FILE AT STEP 1800 WRITING COORDINATES TO RESTART FILE AT STEP 1800 FINISHED WRITING RESTART COORDINATES TIMING: 1800 CPU: 96.1504, 0.0534019/step Wall: 118.965, 0.0632887/step, 0.31996 hours remaining, 13604 kB of memory in use. ENERGY: 1800 3445.4106 2459.8349 382.5834 34.8107 -44979.7641 4151.8018 0.0000 0.0000 9595.5714 -24909.7512 284.4518 -24767.4092 -24763.3781 284.2931 -27.1099 -1753.4025 125000.0000 -1497.5864 -1497.9799 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800 WRITING VELOCITIES TO RESTART FILE AT STEP 1800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.99717843392 0.0237644193861 -0.252390072579 TCL: atom 1: phi = -0.573987504949 TCL: Center of mass = 1.99853121237 0.0238498813045 -0.252526929546 TCL: atom 1: phi = -0.573046998478 TCL: Center of mass = 1.99990891334 0.0239614206856 -0.252635084485 TCL: atom 1: phi = -0.572093764276 TCL: Center of mass = 2.00132301748 0.0240925036596 -0.252725559268 TCL: atom 1: phi = -0.571274399496 TCL: Center of mass = 2.00274618007 0.0242303467195 -0.252795335676 TCL: atom 1: phi = -0.570385376911 TCL: Center of mass = 2.00419521863 0.0243660197771 -0.252851073993 TCL: atom 1: phi = -0.56959577327 TCL: Center of mass = 2.00566571831 0.0244794676337 -0.252895692573 TCL: atom 1: phi = -0.568763428862 TCL: Center of mass = 2.00715501225 0.0245768198984 -0.252951543495 TCL: atom 1: phi = -0.568047360655 TCL: Center of mass = 2.00865381274 0.0246588571635 -0.2530015892 TCL: atom 1: phi = -0.567353896097 TCL: Center of mass = 2.01017184927 0.0247426668848 -0.253045916648 TCL: atom 1: phi = -0.566887788749 TCL: Center of mass = 2.01171057332 0.0248122501907 -0.253082635849 TCL: atom 1: phi = -0.566482592959 TCL: Center of mass = 2.01328475146 0.0249057399793 -0.253106153587 TCL: atom 1: phi = -0.566144644345 TCL: Center of mass = 2.01487450908 0.0250163256142 -0.253118414205 TCL: atom 1: phi = -0.565789501864 TCL: Center of mass = 2.01649990526 0.0251553308577 -0.253110242912 TCL: atom 1: phi = -0.565487797083 TCL: Center of mass = 2.01815450677 0.0252747841156 -0.253103485886 TCL: atom 1: phi = -0.565066972275 TCL: Center of mass = 2.01982361263 0.0253866676439 -0.253120295128 TCL: atom 1: phi = -0.56464297677 TCL: Center of mass = 2.02148978646 0.0254625087158 -0.253162327115 TCL: atom 1: phi = -0.564125913953 TCL: Center of mass = 2.02315502822 0.0255127788107 -0.253210792292 TCL: atom 1: phi = -0.56372671388 TCL: Center of mass = 2.02478915734 0.0255197356836 -0.253294913475 TCL: atom 1: phi = -0.563252845089 TCL: Center of mass = 2.02641856076 0.0255061323352 -0.253388105097 TCL: atom 1: phi = -0.562879792077 TCL: Center of mass = 2.02805490141 0.0255114420631 -0.25348313729 TCL: atom 1: phi = -0.562634976695 TCL: Center of mass = 2.02968043804 0.0255399559004 -0.253530589805 TCL: atom 1: phi = -0.56256672777 TCL: Center of mass = 2.03129266581 0.0255895844557 -0.253548825332 TCL: atom 1: phi = -0.56255668312 TCL: Center of mass = 2.03291493577 0.0256789119601 -0.253534325456 TCL: atom 1: phi = -0.562688837367 TCL: Center of mass = 2.0345721157 0.0257594927778 -0.253492400662 TCL: atom 1: phi = -0.562800349484 TCL: Center of mass = 2.03625517627 0.0258382364487 -0.253438476336 TCL: atom 1: phi = -0.563028924062 TCL: Center of mass = 2.03795978947 0.0258985225317 -0.253381864352 TCL: atom 1: phi = -0.563189379394 TCL: Center of mass = 2.03966780705 0.0259475082944 -0.253324474652 TCL: atom 1: phi = -0.563416819776 TCL: Center of mass = 2.04137343459 0.0259609143146 -0.253272112777 TCL: atom 1: phi = -0.563599658662 TCL: Center of mass = 2.04306242456 0.0260043133453 -0.253220091626 TCL: atom 1: phi = -0.56382097272 TCL: Center of mass = 2.04473923147 0.0260490052204 -0.253144230363 TCL: atom 1: phi = -0.563875840747 TCL: Center of mass = 2.0464164793 0.0261425280502 -0.253037951032 TCL: atom 1: phi = -0.563922282244 TCL: Center of mass = 2.04808425232 0.0262334577881 -0.252902160617 TCL: atom 1: phi = -0.56380198413 TCL: Center of mass = 2.04976757565 0.026346567811 -0.252716665488 TCL: atom 1: phi = -0.563590161752 TCL: Center of mass = 2.0514941528 0.026441297007 -0.252505532431 TCL: atom 1: phi = -0.563147475968 TCL: Center of mass = 2.05325065976 0.0265456585246 -0.252277501307 TCL: atom 1: phi = -0.562591805585 TCL: Center of mass = 2.05501886696 0.0266198216487 -0.252067335627 TCL: atom 1: phi = -0.561808136113 TCL: Center of mass = 2.0567821425 0.026653861113 -0.251877786693 TCL: atom 1: phi = -0.560927375773 TCL: Center of mass = 2.05852797268 0.0266639186241 -0.251734984678 TCL: atom 1: phi = -0.559837387685 TCL: Center of mass = 2.06023688893 0.026688811915 -0.251615597737 TCL: atom 1: phi = -0.55876154467 TCL: Center of mass = 2.06189122633 0.0266967934226 -0.251498994333 TCL: atom 1: phi = -0.557615506318 TCL: Center of mass = 2.06348504799 0.0267192900499 -0.251395113779 TCL: atom 1: phi = -0.55659185322 TCL: Center of mass = 2.06503490139 0.026757301006 -0.251262980076 TCL: atom 1: phi = -0.555543390775 TCL: Center of mass = 2.06655181625 0.0268296982497 -0.251089251412 TCL: atom 1: phi = -0.554687071932 TCL: Center of mass = 2.06804686343 0.0268978010516 -0.250897763293 TCL: atom 1: phi = -0.553881866651 TCL: Center of mass = 2.0695416616 0.0269730308679 -0.250705167781 TCL: atom 1: phi = -0.553329977822 TCL: Center of mass = 2.07106305521 0.0270326537229 -0.250523766661 TCL: atom 1: phi = -0.552890809083 TCL: Center of mass = 2.07258710617 0.0270929290635 -0.250348860366 TCL: atom 1: phi = -0.552770392617 TCL: Center of mass = 2.07412619474 0.027128442297 -0.250185733046 TCL: atom 1: phi = -0.552754172007 TCL: Center of mass = 2.07567183165 0.0271935212428 -0.250034185482 TCL: atom 1: phi = -0.552955665765 TCL: Center of mass = 2.0772074847 0.0272477632351 -0.249880604347 TCL: atom 1: phi = -0.553148242769 TCL: Center of mass = 2.07872498313 0.0273227910435 -0.249718922972 TCL: atom 1: phi = -0.553486215663 TCL: Center of mass = 2.08024193951 0.0273741089254 -0.249526041074 TCL: atom 1: phi = -0.553814909325 TCL: Center of mass = 2.08175831419 0.0274088083213 -0.249306527356 TCL: atom 1: phi = -0.554177221979 TCL: Center of mass = 2.08330355809 0.027391765675 -0.249043523082 TCL: atom 1: phi = -0.554475407201 TCL: Center of mass = 2.08488300672 0.0273407778625 -0.24875207409 TCL: atom 1: phi = -0.554758117873 TCL: Center of mass = 2.08651685196 0.0272298924755 -0.248446485772 TCL: atom 1: phi = -0.554827347697 TCL: Center of mass = 2.08820200002 0.0270826800326 -0.248146753217 TCL: atom 1: phi = -0.554798933642 TCL: Center of mass = 2.08995369066 0.0269005747671 -0.247848432212 TCL: atom 1: phi = -0.554557568529 TCL: Center of mass = 2.09173646493 0.026707267984 -0.24756009912 TCL: atom 1: phi = -0.554286512486 TCL: Center of mass = 2.09352020999 0.0265178422586 -0.247273193531 TCL: atom 1: phi = -0.553820254447 TCL: Center of mass = 2.09529908413 0.0263193259657 -0.246998756467 TCL: atom 1: phi = -0.553360708661 TCL: Center of mass = 2.0970613347 0.0261208484472 -0.246738255958 TCL: atom 1: phi = -0.552878605842 TCL: Center of mass = 2.09879510991 0.0259344472964 -0.246480821977 TCL: atom 1: phi = -0.552507298678 TCL: Center of mass = 2.10050300086 0.0257333576477 -0.246231216358 TCL: atom 1: phi = -0.552093040169 TCL: Center of mass = 2.10217555738 0.0255034916658 -0.246001666675 TCL: atom 1: phi = -0.551826778322 TCL: Center of mass = 2.10384069169 0.0252208581549 -0.245772258405 TCL: atom 1: phi = -0.551545525897 TCL: Center of mass = 2.10550810165 0.0249366229768 -0.24555766583 TCL: atom 1: phi = -0.551387272435 TCL: Center of mass = 2.10717845575 0.0246260220063 -0.2453567146 TCL: atom 1: phi = -0.551197489059 TCL: Center of mass = 2.10884456466 0.0243217000504 -0.245186037241 TCL: atom 1: phi = -0.551178113588 TCL: Center of mass = 2.11050721484 0.0240422579119 -0.245009910084 TCL: atom 1: phi = -0.551133755709 TCL: Center of mass = 2.11215991578 0.0237839020593 -0.24483176438 TCL: atom 1: phi = -0.551247088775 TCL: Center of mass = 2.11379864125 0.0235334085229 -0.244644561626 TCL: atom 1: phi = -0.55136862557 TCL: Center of mass = 2.1154068764 0.0232687637664 -0.244446336823 TCL: atom 1: phi = -0.551651950737 TCL: Center of mass = 2.11700680982 0.0229809301556 -0.244249027227 TCL: atom 1: phi = -0.551874180352 TCL: Center of mass = 2.11859077161 0.0226628341195 -0.244063963416 TCL: atom 1: phi = -0.55214098912 TCL: Center of mass = 2.12016503799 0.0223028745049 -0.243869266964 TCL: atom 1: phi = -0.552304428967 TCL: Center of mass = 2.12173179998 0.021922713967 -0.243683253495 TCL: atom 1: phi = -0.552422978784 TCL: Center of mass = 2.12330870081 0.0215273291159 -0.243484869465 TCL: atom 1: phi = -0.552356203593 TCL: Center of mass = 2.12490914933 0.0211673260276 -0.243274215262 TCL: atom 1: phi = -0.552285355754 TCL: Center of mass = 2.12653198515 0.0208206916553 -0.243034812696 TCL: atom 1: phi = -0.552031362478 TCL: Center of mass = 2.12816451311 0.0204779921364 -0.242766245206 TCL: atom 1: phi = -0.551801660758 TCL: Center of mass = 2.1298101932 0.0201384390638 -0.242442885609 TCL: atom 1: phi = -0.551444797901 TCL: Center of mass = 2.13147005633 0.0198006751104 -0.242100405464 TCL: atom 1: phi = -0.551143465505 TCL: Center of mass = 2.13311131638 0.0194349054858 -0.241745191575 TCL: atom 1: phi = -0.550784529529 TCL: Center of mass = 2.13473913209 0.0190578745922 -0.241389402608 TCL: atom 1: phi = -0.550496987081 TCL: Center of mass = 2.13635467001 0.0186894287452 -0.24102687383 TCL: atom 1: phi = -0.550198239256 TCL: Center of mass = 2.13795135069 0.0183249170304 -0.24069170002 TCL: atom 1: phi = -0.550017872642 TCL: Center of mass = 2.13951063589 0.0179682241221 -0.240385780311 TCL: atom 1: phi = -0.549769355844 TCL: Center of mass = 2.14105270184 0.0176293589254 -0.240062887304 TCL: atom 1: phi = -0.549588672744 TCL: Center of mass = 2.14260092709 0.0173266500587 -0.239716514688 TCL: atom 1: phi = -0.549293877577 TCL: Center of mass = 2.14414165901 0.0170646048262 -0.239371138361 TCL: atom 1: phi = -0.549028422367 TCL: Center of mass = 2.14571418018 0.0168041685941 -0.239020702037 TCL: atom 1: phi = -0.548647130374 TCL: Center of mass = 2.14730142079 0.0165412309962 -0.238657368991 TCL: atom 1: phi = -0.548312186538 TCL: Center of mass = 2.14888825811 0.0162382958423 -0.238296091726 TCL: atom 1: phi = -0.547866017059 TCL: Center of mass = 2.15045754187 0.0159431358632 -0.23794876373 TCL: atom 1: phi = -0.547500186541 TCL: Center of mass = 2.15202104468 0.0155969134399 -0.237604059323 TCL: atom 1: phi = -0.547021454625 TCL: Center of mass = 2.15354587481 0.0152389563266 -0.237272658174 TCL: atom 1: phi = -0.546471338811 TCL: Center of mass = 2.15504320485 0.0148715349753 -0.236951640723 TCL: atom 1: phi = -0.545678614825 TCL: Center of mass = 2.15651680921 0.0145120950146 -0.236602488409 TCL: atom 1: phi = -0.544816090403 WRITING COORDINATES TO DCD FILE AT STEP 1900 WRITING COORDINATES TO RESTART FILE AT STEP 1900 FINISHED WRITING RESTART COORDINATES TIMING: 1900 CPU: 101.479, 0.0532819/step Wall: 125.316, 0.0635032/step, 0.31928 hours remaining, 13604 kB of memory in use. ENERGY: 1900 3359.1446 2453.0407 386.9583 40.7656 -44980.1679 4236.4858 0.0000 0.0000 9628.1209 -24875.6521 285.4167 -24735.3422 -24723.2236 284.9747 561.6005 -1289.4010 125000.0000 -1422.1368 -1421.9320 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900 WRITING VELOCITIES TO RESTART FILE AT STEP 1900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.15797277741 0.0141491334075 -0.236230278743 TCL: atom 1: phi = -0.543786578171 TCL: Center of mass = 2.15943806787 0.0137922284081 -0.235807517407 TCL: atom 1: phi = -0.542751651269 TCL: Center of mass = 2.16090502625 0.0134379718888 -0.235359402591 TCL: atom 1: phi = -0.541660057805 TCL: Center of mass = 2.16240267095 0.013102359863 -0.234892069876 TCL: atom 1: phi = -0.540645590887 TCL: Center of mass = 2.16388735209 0.0127507295606 -0.234425097007 TCL: atom 1: phi = -0.539654983104 TCL: Center of mass = 2.16537061954 0.0124318597 -0.233970392993 TCL: atom 1: phi = -0.538874432506 TCL: Center of mass = 2.16682507073 0.0121161763832 -0.233562292458 TCL: atom 1: phi = -0.538207072579 TCL: Center of mass = 2.16824636318 0.0118208384865 -0.233191060228 TCL: atom 1: phi = -0.537747852834 TCL: Center of mass = 2.16960009352 0.0115398555435 -0.232848752995 TCL: atom 1: phi = -0.537389609529 TCL: Center of mass = 2.17091328338 0.0113006627522 -0.23253990788 TCL: atom 1: phi = -0.53723777562 TCL: Center of mass = 2.17218331557 0.0111088502727 -0.232251302373 TCL: atom 1: phi = -0.537163852839 TCL: Center of mass = 2.17343866741 0.0109734797445 -0.231952709655 TCL: atom 1: phi = -0.537252155029 TCL: Center of mass = 2.17468597872 0.0108722666328 -0.231655267708 TCL: atom 1: phi = -0.537393264265 TCL: Center of mass = 2.17595175574 0.0108122728388 -0.231383658374 TCL: atom 1: phi = -0.537686396197 TCL: Center of mass = 2.17725528276 0.0107484132987 -0.231143922556 TCL: atom 1: phi = -0.538101454392 TCL: Center of mass = 2.17857337466 0.0106965716354 -0.230969774842 TCL: atom 1: phi = -0.53869887032 TCL: Center of mass = 2.17991209406 0.0106336147481 -0.230838371057 TCL: atom 1: phi = -0.539419310752 TCL: Center of mass = 2.18127365066 0.0106145608229 -0.230766863244 TCL: atom 1: phi = -0.540195688917 TCL: Center of mass = 2.18263435317 0.0105997665285 -0.230725163622 TCL: atom 1: phi = -0.54094224836 TCL: Center of mass = 2.18398605722 0.0106278941387 -0.230718330251 TCL: atom 1: phi = -0.541580018342 TCL: Center of mass = 2.18531294688 0.0106703977132 -0.230689178373 TCL: atom 1: phi = -0.542019181123 TCL: Center of mass = 2.18660824615 0.0107788757054 -0.230666493209 TCL: atom 1: phi = -0.542308915311 TCL: Center of mass = 2.18789427669 0.0108812946605 -0.230617409234 TCL: atom 1: phi = -0.542358247283 TCL: Center of mass = 2.189173486 0.0110076985248 -0.230568025965 TCL: atom 1: phi = -0.542239131985 TCL: Center of mass = 2.19045889176 0.0111073998998 -0.23051389736 TCL: atom 1: phi = -0.541918071374 TCL: Center of mass = 2.19177030286 0.0112032736131 -0.230452863379 TCL: atom 1: phi = -0.541582553098 TCL: Center of mass = 2.19309648076 0.0112812626505 -0.230392621826 TCL: atom 1: phi = -0.541113928346 TCL: Center of mass = 2.19443403892 0.0113878858995 -0.230323436698 TCL: atom 1: phi = -0.540622318269 TCL: Center of mass = 2.19577459461 0.0115080106938 -0.230237242512 TCL: atom 1: phi = -0.540039437634 TCL: Center of mass = 2.19710519788 0.011672289891 -0.230120758743 TCL: atom 1: phi = -0.539379338183 TCL: Center of mass = 2.19841740198 0.0118368232061 -0.229949233974 TCL: atom 1: phi = -0.538574389977 TCL: Center of mass = 2.19971533182 0.0120479383011 -0.229754012437 TCL: atom 1: phi = -0.537673593567 TCL: Center of mass = 2.20097839427 0.0122674498382 -0.229515883348 TCL: atom 1: phi = -0.536637555162 TCL: Center of mass = 2.20223678478 0.012498002543 -0.229258731011 TCL: atom 1: phi = -0.535625321617 TCL: Center of mass = 2.20348566032 0.0126920995139 -0.228970581702 TCL: atom 1: phi = -0.534591293094 TCL: Center of mass = 2.20475848461 0.0128951670345 -0.228702553033 TCL: atom 1: phi = -0.533654172331 TCL: Center of mass = 2.20606358876 0.0130698656253 -0.228451511 TCL: atom 1: phi = -0.53284870517 TCL: Center of mass = 2.20739788502 0.0132379207526 -0.228200222542 TCL: atom 1: phi = -0.532249197343 TCL: Center of mass = 2.20875346949 0.0134014182923 -0.2279771724 TCL: atom 1: phi = -0.531719764178 TCL: Center of mass = 2.21014638782 0.0135939122796 -0.22777023964 TCL: atom 1: phi = -0.531300033419 TCL: Center of mass = 2.21155478784 0.0137833436727 -0.227580592782 TCL: atom 1: phi = -0.530887809112 TCL: Center of mass = 2.21299722801 0.0140074702286 -0.227371316858 TCL: atom 1: phi = -0.53048199143 TCL: Center of mass = 2.21447418535 0.0142386798267 -0.227146848939 TCL: atom 1: phi = -0.530048247241 TCL: Center of mass = 2.21596617496 0.0144714675789 -0.226934882339 TCL: atom 1: phi = -0.52970374886 TCL: Center of mass = 2.21744847859 0.0146763236498 -0.226750154574 TCL: atom 1: phi = -0.529418431265 TCL: Center of mass = 2.21892142873 0.0148697126151 -0.226591875922 TCL: atom 1: phi = -0.529323383091 TCL: Center of mass = 2.22039897764 0.0150373522051 -0.226466568744 TCL: atom 1: phi = -0.529408043441 TCL: Center of mass = 2.22189061074 0.0152095736129 -0.226389933611 TCL: atom 1: phi = -0.529678263838 TCL: Center of mass = 2.22339132863 0.0153797662119 -0.226348256719 TCL: atom 1: phi = -0.53004957643 TCL: Center of mass = 2.22490980966 0.0155888967467 -0.226355576045 TCL: atom 1: phi = -0.530584506411 TCL: Center of mass = 2.22644711161 0.0158113680793 -0.226357896824 TCL: atom 1: phi = -0.531131818608 TCL: Center of mass = 2.22797859359 0.0160798325262 -0.226391698036 TCL: atom 1: phi = -0.531714748378 TCL: Center of mass = 2.229500872 0.0163369567235 -0.226433400072 TCL: atom 1: phi = -0.532213751858 TCL: Center of mass = 2.23098583028 0.0166003499228 -0.226498876064 TCL: atom 1: phi = -0.532736305235 TCL: Center of mass = 2.23241803476 0.0168126742829 -0.226562751371 TCL: atom 1: phi = -0.533168588904 TCL: Center of mass = 2.23382454504 0.017025820722 -0.226672282937 TCL: atom 1: phi = -0.533708542981 TCL: Center of mass = 2.23519626797 0.0172008797347 -0.22681520382 TCL: atom 1: phi = -0.534263781997 TCL: Center of mass = 2.23653635925 0.0173676025986 -0.226980080174 TCL: atom 1: phi = -0.534876482741 TCL: Center of mass = 2.23787858746 0.0175039998151 -0.227164035212 TCL: atom 1: phi = -0.535450578063 TCL: Center of mass = 2.23922853986 0.017654454106 -0.227364205171 TCL: atom 1: phi = -0.535983130152 TCL: Center of mass = 2.24061557416 0.0177967795994 -0.227562883027 TCL: atom 1: phi = -0.53628930239 TCL: Center of mass = 2.24203392377 0.0179428815616 -0.227739944911 TCL: atom 1: phi = -0.536473869422 TCL: Center of mass = 2.24348810653 0.0180836415957 -0.22789071703 TCL: atom 1: phi = -0.536400479591 TCL: Center of mass = 2.24497111347 0.0182316518135 -0.228050923792 TCL: atom 1: phi = -0.536189806439 TCL: Center of mass = 2.24647318387 0.0183572290366 -0.228219378087 TCL: atom 1: phi = -0.53577367401 TCL: Center of mass = 2.2479656329 0.0184732476574 -0.228412818241 TCL: atom 1: phi = -0.53537985486 TCL: Center of mass = 2.24947899386 0.0185761722583 -0.228616949074 TCL: atom 1: phi = -0.534912772006 TCL: Center of mass = 2.25099269813 0.0186551726489 -0.228840198482 TCL: atom 1: phi = -0.534516774457 TCL: Center of mass = 2.25252888993 0.0187257751278 -0.229068354257 TCL: atom 1: phi = -0.534095341048 TCL: Center of mass = 2.25407894792 0.0188364091236 -0.229305730974 TCL: atom 1: phi = -0.53374145991 TCL: Center of mass = 2.25566205757 0.0189507160984 -0.229525737975 TCL: atom 1: phi = -0.533275426063 TCL: Center of mass = 2.25727454888 0.0191143057752 -0.229758520699 TCL: atom 1: phi = -0.532876659702 TCL: Center of mass = 2.25891916847 0.0192920998033 -0.229985159402 TCL: atom 1: phi = -0.532351193054 TCL: Center of mass = 2.26055795054 0.0195309302223 -0.230222027405 TCL: atom 1: phi = -0.531915311959 TCL: Center of mass = 2.26220145824 0.0197655170947 -0.230467954803 TCL: atom 1: phi = -0.531452243521 TCL: Center of mass = 2.26380744535 0.0199952511319 -0.230722248396 TCL: atom 1: phi = -0.531222027394 TCL: Center of mass = 2.26538411349 0.0202193058664 -0.230999902077 TCL: atom 1: phi = -0.531098229821 TCL: Center of mass = 2.26688409483 0.020472602665 -0.231301250906 TCL: atom 1: phi = -0.531334832086 TCL: Center of mass = 2.26834112216 0.0207350101565 -0.231602602421 TCL: atom 1: phi = -0.531738344165 TCL: Center of mass = 2.26977423981 0.0210316536458 -0.231893096638 TCL: atom 1: phi = -0.532507996993 TCL: Center of mass = 2.27119908889 0.0213333831326 -0.232175831399 TCL: atom 1: phi = -0.533311590818 TCL: Center of mass = 2.27263374377 0.0216299272795 -0.232441492778 TCL: atom 1: phi = -0.534376335816 TCL: Center of mass = 2.2740909535 0.0218918862246 -0.232690077632 TCL: atom 1: phi = -0.535398880104 TCL: Center of mass = 2.27558651296 0.022132750311 -0.232920609037 TCL: atom 1: phi = -0.536661193251 TCL: Center of mass = 2.27711114624 0.0223407030306 -0.233136003066 TCL: atom 1: phi = -0.537954640643 TCL: Center of mass = 2.27862849728 0.0225077652124 -0.233347770863 TCL: atom 1: phi = -0.539492437259 TCL: Center of mass = 2.28013503904 0.0226053621222 -0.233559658139 TCL: atom 1: phi = -0.54110782244 TCL: Center of mass = 2.28163102806 0.0226727479577 -0.23373082205 TCL: atom 1: phi = -0.543099926875 TCL: Center of mass = 2.28311189837 0.0227106306631 -0.233859409911 TCL: atom 1: phi = -0.545176675916 TCL: Center of mass = 2.28458074861 0.0227367094753 -0.233961159179 TCL: atom 1: phi = -0.547474189662 TCL: Center of mass = 2.2860492163 0.0227478143108 -0.234027547705 TCL: atom 1: phi = -0.549699061965 TCL: Center of mass = 2.28750082746 0.0227544474145 -0.234056590788 TCL: atom 1: phi = -0.551903061281 TCL: Center of mass = 2.28895554606 0.0227453971251 -0.23406073418 TCL: atom 1: phi = -0.553840387002 TCL: Center of mass = 2.2904162233 0.0227166311517 -0.234078744065 TCL: atom 1: phi = -0.555676257147 TCL: Center of mass = 2.29190036442 0.0226678854367 -0.234111525469 TCL: atom 1: phi = -0.55732572446 TCL: Center of mass = 2.29340321031 0.0226261562591 -0.234188527194 TCL: atom 1: phi = -0.558972609208 TCL: Center of mass = 2.29491945936 0.0225912446452 -0.234302558056 TCL: atom 1: phi = -0.560517004432 TCL: Center of mass = 2.29641321461 0.0225879685538 -0.234458930197 TCL: atom 1: phi = -0.562077044867 TCL: Center of mass = 2.29789315934 0.0226075171674 -0.234642344287 TCL: atom 1: phi = -0.563550893941 TCL: Center of mass = 2.29936057103 0.0226405289459 -0.234845661008 TCL: atom 1: phi = -0.565020619189 WRITING COORDINATES TO DCD FILE AT STEP 2000 WRITING COORDINATES TO RESTART FILE AT STEP 2000 FINISHED WRITING RESTART COORDINATES TIMING: 2000 CPU: 106.809, 0.0533019/step Wall: 131.664, 0.063481/step, 0.317405 hours remaining, 13604 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2000 3345.7989 2437.6539 379.6850 27.9917 -44825.6808 4101.0077 0.0000 0.0000 9670.4436 -24863.1001 286.6713 -24721.5106 -24714.4153 284.5701 380.7014 -1845.0064 125000.0000 -1725.5789 -1722.9647 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000 WRITING VELOCITIES TO RESTART FILE AT STEP 2000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.30079889972 0.0226949565726 -0.235066615615 TCL: atom 1: phi = -0.566242678551 TCL: Center of mass = 2.30221841387 0.022767540849 -0.235276753273 TCL: atom 1: phi = -0.567308211654 TCL: Center of mass = 2.30364186263 0.0228343460917 -0.235489627403 TCL: atom 1: phi = -0.568081404714 TCL: Center of mass = 2.30509139799 0.0228842329764 -0.235711915073 TCL: atom 1: phi = -0.568741282584 TCL: Center of mass = 2.30654965754 0.0229136627876 -0.235986254178 TCL: atom 1: phi = -0.569227008921 TCL: Center of mass = 2.30803771992 0.0229138359612 -0.236268353224 TCL: atom 1: phi = -0.569691274065 TCL: Center of mass = 2.30954671457 0.0228973552939 -0.236574125037 TCL: atom 1: phi = -0.570119818463 TCL: Center of mass = 2.31107890609 0.0228749340598 -0.236896848715 TCL: atom 1: phi = -0.570650275857 TCL: Center of mass = 2.31262721797 0.0228410249869 -0.237217285671 TCL: atom 1: phi = -0.571167663793 TCL: Center of mass = 2.31419524521 0.0227957027574 -0.237533460052 TCL: atom 1: phi = -0.571804607212 TCL: Center of mass = 2.31576486496 0.0227211192677 -0.237845974301 TCL: atom 1: phi = -0.572340016864 TCL: Center of mass = 2.31733316658 0.0226357589681 -0.238129780698 TCL: atom 1: phi = -0.572888010409 TCL: Center of mass = 2.31890605963 0.022513930266 -0.238385009324 TCL: atom 1: phi = -0.573257158377 TCL: Center of mass = 2.32049575062 0.0223643044919 -0.238610351434 TCL: atom 1: phi = -0.573605429194 TCL: Center of mass = 2.3221149109 0.0221785203106 -0.238817184617 TCL: atom 1: phi = -0.573786627826 TCL: Center of mass = 2.32375167367 0.0219446861501 -0.238985634538 TCL: atom 1: phi = -0.574059815851 TCL: Center of mass = 2.32541345284 0.0216757740049 -0.239138715842 TCL: atom 1: phi = -0.574336362067 TCL: Center of mass = 2.32705830508 0.0213846291377 -0.239248876427 TCL: atom 1: phi = -0.57478722866 TCL: Center of mass = 2.32870783241 0.0210958183408 -0.239316628715 TCL: atom 1: phi = -0.575378939841 TCL: Center of mass = 2.33034379358 0.0208182752266 -0.239324133372 TCL: atom 1: phi = -0.576212765533 TCL: Center of mass = 2.33196360217 0.0205458847225 -0.239285961521 TCL: atom 1: phi = -0.57706542794 TCL: Center of mass = 2.33353964163 0.02029211014 -0.239182717908 TCL: atom 1: phi = -0.578047285469 TCL: Center of mass = 2.33509748504 0.020038377976 -0.239047952313 TCL: atom 1: phi = -0.578990097051 TCL: Center of mass = 2.33663337712 0.0198097497945 -0.238904350332 TCL: atom 1: phi = -0.580031788664 TCL: Center of mass = 2.33815119989 0.0195852735627 -0.238764290226 TCL: atom 1: phi = -0.581029233042 TCL: Center of mass = 2.33965503557 0.0193794163412 -0.238632327196 TCL: atom 1: phi = -0.582129401891 TCL: Center of mass = 2.3411542502 0.0191752942864 -0.238502170866 TCL: atom 1: phi = -0.583236682039 TCL: Center of mass = 2.34264367094 0.0190077675459 -0.238395100731 TCL: atom 1: phi = -0.584545290713 TCL: Center of mass = 2.34413409621 0.0188500369232 -0.238303059576 TCL: atom 1: phi = -0.58589411126 TCL: Center of mass = 2.34562044328 0.0187046976312 -0.238221170712 TCL: atom 1: phi = -0.587426660523 TCL: Center of mass = 2.34710430921 0.0185387904308 -0.23814483152 TCL: atom 1: phi = -0.588863923013 TCL: Center of mass = 2.34854986208 0.018351739383 -0.238078745002 TCL: atom 1: phi = -0.590353543078 TCL: Center of mass = 2.34996603732 0.0181175093965 -0.238053151365 TCL: atom 1: phi = -0.591681535014 TCL: Center of mass = 2.35133351962 0.0178658010125 -0.238039397738 TCL: atom 1: phi = -0.593005215316 TCL: Center of mass = 2.35266630385 0.0175502774612 -0.238039437603 TCL: atom 1: phi = -0.594116056975 TCL: Center of mass = 2.35393158013 0.0171974218158 -0.238047545641 TCL: atom 1: phi = -0.595162708495 TCL: Center of mass = 2.35515969428 0.0168334141822 -0.2380567316 TCL: atom 1: phi = -0.596030299173 TCL: Center of mass = 2.35636445051 0.016448820724 -0.238061607874 TCL: atom 1: phi = -0.596950363523 TCL: Center of mass = 2.35756397763 0.016055789752 -0.238055697091 TCL: atom 1: phi = -0.597793872168 TCL: Center of mass = 2.35876302175 0.0156916491456 -0.238027488907 TCL: atom 1: phi = -0.598626481236 TCL: Center of mass = 2.35997313009 0.0153256517175 -0.237969491901 TCL: atom 1: phi = -0.599402874608 TCL: Center of mass = 2.36118396872 0.0149642977806 -0.237879704906 TCL: atom 1: phi = -0.600213840581 TCL: Center of mass = 2.36238521706 0.0145999361133 -0.237785765127 TCL: atom 1: phi = -0.600808255046 TCL: Center of mass = 2.36357174692 0.0142246524137 -0.237693027126 TCL: atom 1: phi = -0.601315897029 TCL: Center of mass = 2.36474454931 0.0138362704879 -0.237608314989 TCL: atom 1: phi = -0.601661638811 TCL: Center of mass = 2.36589825291 0.0134671896826 -0.237518860042 TCL: atom 1: phi = -0.601975191618 TCL: Center of mass = 2.36704922401 0.0131020699193 -0.237421196261 TCL: atom 1: phi = -0.602163601245 TCL: Center of mass = 2.36822283962 0.0127796360334 -0.237352626156 TCL: atom 1: phi = -0.602373477037 TCL: Center of mass = 2.36940639464 0.0125223936028 -0.23731600104 TCL: atom 1: phi = -0.60258233227 TCL: Center of mass = 2.37062319125 0.0123271707201 -0.237291043334 TCL: atom 1: phi = -0.602912687203 TCL: Center of mass = 2.37185843411 0.0121679367115 -0.237294802042 TCL: atom 1: phi = -0.60318490063 TCL: Center of mass = 2.37312290029 0.0120329383593 -0.237328041966 TCL: atom 1: phi = -0.603525929172 TCL: Center of mass = 2.37440287284 0.0119053000716 -0.237372969008 TCL: atom 1: phi = -0.603705112701 TCL: Center of mass = 2.37569048614 0.011780670828 -0.237436719419 TCL: atom 1: phi = -0.603818028909 TCL: Center of mass = 2.37696145331 0.0116094193759 -0.237522807726 TCL: atom 1: phi = -0.603675773996 TCL: Center of mass = 2.37820969187 0.0114458220587 -0.237625884647 TCL: atom 1: phi = -0.603419506108 TCL: Center of mass = 2.37943429308 0.0112481397581 -0.237746218654 TCL: atom 1: phi = -0.603013937792 TCL: Center of mass = 2.38064249242 0.0110515980639 -0.237880783975 TCL: atom 1: phi = -0.602625152903 TCL: Center of mass = 2.38185658528 0.0108623544339 -0.237999393484 TCL: atom 1: phi = -0.602205140694 TCL: Center of mass = 2.38310985277 0.0106894731736 -0.238103467966 TCL: atom 1: phi = -0.60188369896 TCL: Center of mass = 2.38438787937 0.0105267642004 -0.238182348427 TCL: atom 1: phi = -0.601624331111 TCL: Center of mass = 2.38568508895 0.0103658276267 -0.238225855986 TCL: atom 1: phi = -0.601533311381 TCL: Center of mass = 2.38699311293 0.0101770560243 -0.238238903751 TCL: atom 1: phi = -0.601459265505 TCL: Center of mass = 2.38831639521 0.00996606472558 -0.238236510333 TCL: atom 1: phi = -0.601423744566 TCL: Center of mass = 2.38963435341 0.00968690729183 -0.238207464153 TCL: atom 1: phi = -0.601327228791 TCL: Center of mass = 2.39093226497 0.00941459258225 -0.238160185186 TCL: atom 1: phi = -0.601281608414 TCL: Center of mass = 2.39222413812 0.00910503691913 -0.238102758782 TCL: atom 1: phi = -0.601178235225 TCL: Center of mass = 2.39354127643 0.00880994612592 -0.238046580506 TCL: atom 1: phi = -0.601152792999 TCL: Center of mass = 2.39487622404 0.00849126362158 -0.237963789372 TCL: atom 1: phi = -0.601058192767 TCL: Center of mass = 2.39624092415 0.00819201722469 -0.237875595255 TCL: atom 1: phi = -0.601054478352 TCL: Center of mass = 2.39764831695 0.00790109966377 -0.23780059379 TCL: atom 1: phi = -0.600998704068 TCL: Center of mass = 2.39910589328 0.00763841273712 -0.237744339756 TCL: atom 1: phi = -0.600950175022 TCL: Center of mass = 2.40059555612 0.00735800023651 -0.237697071957 TCL: atom 1: phi = -0.600686602589 TCL: Center of mass = 2.4021327034 0.00709728256013 -0.237672740484 TCL: atom 1: phi = -0.600332492333 TCL: Center of mass = 2.40368685095 0.00681835904087 -0.237670985929 TCL: atom 1: phi = -0.599676714521 TCL: Center of mass = 2.40523881608 0.00657507015899 -0.23769025547 TCL: atom 1: phi = -0.598890590746 TCL: Center of mass = 2.40675875313 0.00632614759089 -0.23770453116 TCL: atom 1: phi = -0.59789051581 TCL: Center of mass = 2.40826320429 0.00609898057361 -0.23773188189 TCL: atom 1: phi = -0.596789627523 TCL: Center of mass = 2.40975751897 0.00586508721217 -0.237769223044 TCL: atom 1: phi = -0.595531874413 TCL: Center of mass = 2.41121080971 0.00563575415207 -0.237842620959 TCL: atom 1: phi = -0.594314716184 TCL: Center of mass = 2.41265555899 0.00538605351213 -0.237911571368 TCL: atom 1: phi = -0.592956613671 TCL: Center of mass = 2.41410178568 0.00515880188294 -0.237979395278 TCL: atom 1: phi = -0.591589601128 TCL: Center of mass = 2.41557884916 0.00492478424488 -0.238042613584 TCL: atom 1: phi = -0.590043595034 TCL: Center of mass = 2.4170320562 0.00470210762078 -0.238126707384 TCL: atom 1: phi = -0.588537337511 TCL: Center of mass = 2.41849409971 0.00444896164355 -0.23821341875 TCL: atom 1: phi = -0.586825453696 TCL: Center of mass = 2.41992587477 0.0042019578738 -0.238282789625 TCL: atom 1: phi = -0.585159617766 TCL: Center of mass = 2.42135074135 0.00394329951604 -0.238324181669 TCL: atom 1: phi = -0.583362463685 TCL: Center of mass = 2.42274577462 0.00370304077331 -0.238351736084 TCL: atom 1: phi = -0.581725568323 TCL: Center of mass = 2.42412880355 0.00345178054523 -0.238335805995 TCL: atom 1: phi = -0.580091937328 TCL: Center of mass = 2.42547527546 0.00324701471879 -0.2382833909 TCL: atom 1: phi = -0.578647080198 TCL: Center of mass = 2.42681867044 0.00305192126372 -0.2381919253 TCL: atom 1: phi = -0.577277496563 TCL: Center of mass = 2.4281372891 0.00286154970841 -0.238065933539 TCL: atom 1: phi = -0.576101811964 TCL: Center of mass = 2.42946005036 0.00265957745665 -0.237930587418 TCL: atom 1: phi = -0.574883175062 TCL: Center of mass = 2.43078568401 0.00248743445108 -0.237800982255 TCL: atom 1: phi = -0.573813748529 TCL: Center of mass = 2.43212443883 0.00232463199249 -0.237689769201 TCL: atom 1: phi = -0.57270618903 TCL: Center of mass = 2.43348703082 0.00219366349641 -0.237618202461 TCL: atom 1: phi = -0.571718389095 TCL: Center of mass = 2.4348668145 0.0020868401438 -0.237560046418 TCL: atom 1: phi = -0.570682143176 TCL: Center of mass = 2.43625766978 0.0020262546991 -0.237487149672 TCL: atom 1: phi = -0.569763167385 TCL: Center of mass = 2.43766107385 0.00197143824873 -0.237407639355 TCL: atom 1: phi = -0.568817332753 TCL: Center of mass = 2.43903283763 0.00193921676742 -0.237333852028 TCL: atom 1: phi = -0.56811902882 WRITING COORDINATES TO DCD FILE AT STEP 2100 WRITING COORDINATES TO RESTART FILE AT STEP 2100 FINISHED WRITING RESTART COORDINATES TIMING: 2100 CPU: 112.145, 0.0533619/step Wall: 138.012, 0.0634809/step, 0.315641 hours remaining, 13604 kB of memory in use. ENERGY: 2100 3354.0969 2428.7313 390.1517 36.6900 -44560.8688 3996.6221 0.0000 0.0000 9513.6994 -24840.8773 282.0248 -24696.6937 -24699.4834 284.4900 444.2045 -1802.5479 125000.0000 -1468.1519 -1473.7332 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100 WRITING VELOCITIES TO RESTART FILE AT STEP 2100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.44040087854 0.00190024763068 -0.237286858887 TCL: atom 1: phi = -0.567389458297 TCL: Center of mass = 2.44174342475 0.00187921839128 -0.237276401393 TCL: atom 1: phi = -0.566835061031 TCL: Center of mass = 2.44307005225 0.00182487795977 -0.237277603924 TCL: atom 1: phi = -0.566190159929 TCL: Center of mass = 2.44437118929 0.00176141586476 -0.23732609113 TCL: atom 1: phi = -0.565662850895 TCL: Center of mass = 2.4456910311 0.00168696633562 -0.237399993627 TCL: atom 1: phi = -0.564987212702 TCL: Center of mass = 2.44702073052 0.00166954685635 -0.237498511164 TCL: atom 1: phi = -0.564478086067 TCL: Center of mass = 2.44837046692 0.00165603075313 -0.237593339518 TCL: atom 1: phi = -0.563921622031 TCL: Center of mass = 2.44972168428 0.00167599204081 -0.237668908409 TCL: atom 1: phi = -0.56354623924 TCL: Center of mass = 2.45108238712 0.00168310142373 -0.237735479865 TCL: atom 1: phi = -0.563118105905 TCL: Center of mass = 2.45244114745 0.00168681136555 -0.237764059791 TCL: atom 1: phi = -0.562900390728 TCL: Center of mass = 2.4537892025 0.00165143553179 -0.237746184626 TCL: atom 1: phi = -0.562580983374 TCL: Center of mass = 2.45509177108 0.00161938643299 -0.23768625272 TCL: atom 1: phi = -0.562386786107 TCL: Center of mass = 2.45637474393 0.0015508481224 -0.237603495503 TCL: atom 1: phi = -0.561978255286 TCL: Center of mass = 2.45763536696 0.00148322108954 -0.237494338262 TCL: atom 1: phi = -0.561576334618 TCL: Center of mass = 2.4588989368 0.00141586198123 -0.237385963586 TCL: atom 1: phi = -0.56088411886 TCL: Center of mass = 2.46014352742 0.00136844926424 -0.237274673887 TCL: atom 1: phi = -0.560142301572 TCL: Center of mass = 2.46139420449 0.00133172273232 -0.237158034382 TCL: atom 1: phi = -0.55911338598 TCL: Center of mass = 2.46266834611 0.00133171386635 -0.237026025603 TCL: atom 1: phi = -0.55805485454 TCL: Center of mass = 2.46395857879 0.00134600907289 -0.236869519811 TCL: atom 1: phi = -0.556819162278 TCL: Center of mass = 2.46525026818 0.00136230504939 -0.236725175183 TCL: atom 1: phi = -0.555636755035 TCL: Center of mass = 2.46655957747 0.00136283878048 -0.236593323812 TCL: atom 1: phi = -0.554287685583 TCL: Center of mass = 2.46786438915 0.00137643463738 -0.236457843057 TCL: atom 1: phi = -0.553042748954 TCL: Center of mass = 2.46916856979 0.00136120097689 -0.236317174054 TCL: atom 1: phi = -0.551674663221 TCL: Center of mass = 2.47042103346 0.0013397583512 -0.236212562574 TCL: atom 1: phi = -0.550442063797 TCL: Center of mass = 2.47165783088 0.00127598228189 -0.236138877447 TCL: atom 1: phi = -0.549092835974 TCL: Center of mass = 2.47285431768 0.00122442771427 -0.236096303256 TCL: atom 1: phi = -0.547844394155 TCL: Center of mass = 2.47404212608 0.00121185626377 -0.236097193046 TCL: atom 1: phi = -0.546558654724 TCL: Center of mass = 2.47522531048 0.00122626081125 -0.236155144893 TCL: atom 1: phi = -0.545495576409 TCL: Center of mass = 2.4764377209 0.00124097065265 -0.23624074498 TCL: atom 1: phi = -0.544429373294 TCL: Center of mass = 2.47768472457 0.00128206753447 -0.236343331838 TCL: atom 1: phi = -0.543639440771 TCL: Center of mass = 2.478964932 0.00130648564023 -0.236446547227 TCL: atom 1: phi = -0.54290175814 TCL: Center of mass = 2.48026503969 0.00132767961662 -0.23657087591 TCL: atom 1: phi = -0.542347475638 TCL: Center of mass = 2.48157101313 0.00133076812371 -0.236704195978 TCL: atom 1: phi = -0.541749147886 TCL: Center of mass = 2.48288385687 0.00134708686819 -0.236830576506 TCL: atom 1: phi = -0.541259464427 TCL: Center of mass = 2.48421398609 0.00137681215711 -0.236948160777 TCL: atom 1: phi = -0.540693500818 TCL: Center of mass = 2.48551671747 0.00143637917851 -0.237037476962 TCL: atom 1: phi = -0.540259662877 TCL: Center of mass = 2.48680889394 0.00152129830725 -0.237082170633 TCL: atom 1: phi = -0.539790204909 TCL: Center of mass = 2.48807975222 0.00163606967988 -0.237095666946 TCL: atom 1: phi = -0.53954556577 TCL: Center of mass = 2.48936260431 0.00174991290742 -0.237078752988 TCL: atom 1: phi = -0.539356291407 TCL: Center of mass = 2.49065615725 0.00188060818794 -0.237034011547 TCL: atom 1: phi = -0.539374206871 TCL: Center of mass = 2.49198025175 0.0019883509012 -0.236957465981 TCL: atom 1: phi = -0.539386789555 TCL: Center of mass = 2.49332145541 0.0021077728541 -0.236872471111 TCL: atom 1: phi = -0.539512083381 TCL: Center of mass = 2.49470591578 0.00219010711111 -0.236749343161 TCL: atom 1: phi = -0.539538839829 TCL: Center of mass = 2.49608687787 0.002257386359 -0.23660782695 TCL: atom 1: phi = -0.539629645104 TCL: Center of mass = 2.49746925291 0.00229780336197 -0.236452148695 TCL: atom 1: phi = -0.539604901031 TCL: Center of mass = 2.49883422814 0.0023439732939 -0.236293303504 TCL: atom 1: phi = -0.539609274754 TCL: Center of mass = 2.50016910637 0.00237072648413 -0.236114156175 TCL: atom 1: phi = -0.539559173389 TCL: Center of mass = 2.50144934187 0.0024144108685 -0.23591995736 TCL: atom 1: phi = -0.539625534542 TCL: Center of mass = 2.50271593657 0.00242320963981 -0.235743782668 TCL: atom 1: phi = -0.539651869717 TCL: Center of mass = 2.50395562507 0.00241391322181 -0.235583707284 TCL: atom 1: phi = -0.539746457334 TCL: Center of mass = 2.50521128368 0.00238623264868 -0.235438857026 TCL: atom 1: phi = -0.539778691263 TCL: Center of mass = 2.50644189511 0.00233708156894 -0.23532262327 TCL: atom 1: phi = -0.539847538037 TCL: Center of mass = 2.50767967819 0.00227220859961 -0.235243442185 TCL: atom 1: phi = -0.539874366027 TCL: Center of mass = 2.50891603988 0.0021863895371 -0.235183209044 TCL: atom 1: phi = -0.540011849267 TCL: Center of mass = 2.51014950699 0.00209606886213 -0.235116917559 TCL: atom 1: phi = -0.54014557035 TCL: Center of mass = 2.51135697643 0.00202351398231 -0.235048923492 TCL: atom 1: phi = -0.540388875947 TCL: Center of mass = 2.51253873677 0.00197193812526 -0.234989813237 TCL: atom 1: phi = -0.540645181671 TCL: Center of mass = 2.51368067593 0.00196341460478 -0.234924447271 TCL: atom 1: phi = -0.54104036368 TCL: Center of mass = 2.51481966814 0.00197205885117 -0.234860852229 TCL: atom 1: phi = -0.541403713705 TCL: Center of mass = 2.51593377182 0.00198155424377 -0.234791624097 TCL: atom 1: phi = -0.541809070056 TCL: Center of mass = 2.51705686828 0.00200295093637 -0.234701541605 TCL: atom 1: phi = -0.542093751407 TCL: Center of mass = 2.51816422982 0.00202847736204 -0.234629367375 TCL: atom 1: phi = -0.542343264845 TCL: Center of mass = 2.51927368881 0.00203545515467 -0.234561669171 TCL: atom 1: phi = -0.542415193612 TCL: Center of mass = 2.52037743935 0.00202197258386 -0.23450947139 TCL: atom 1: phi = -0.542413635642 TCL: Center of mass = 2.52147338703 0.00197771226093 -0.234453132367 TCL: atom 1: phi = -0.542278738372 TCL: Center of mass = 2.52254863241 0.00192553543743 -0.234397053959 TCL: atom 1: phi = -0.542151018139 TCL: Center of mass = 2.52359949858 0.00186291385131 -0.234328989865 TCL: atom 1: phi = -0.542012252085 TCL: Center of mass = 2.52463730234 0.00181290223832 -0.234264626568 TCL: atom 1: phi = -0.542012959881 TCL: Center of mass = 2.52567652738 0.00173493974039 -0.234183843213 TCL: atom 1: phi = -0.542044799282 TCL: Center of mass = 2.52670550727 0.00166059596388 -0.234108377118 TCL: atom 1: phi = -0.54213815987 TCL: Center of mass = 2.52770001516 0.00157832329293 -0.2340553816 TCL: atom 1: phi = -0.542219327189 TCL: Center of mass = 2.52866436872 0.00147499760302 -0.234037230899 TCL: atom 1: phi = -0.542288133315 TCL: Center of mass = 2.52961726307 0.00135907801556 -0.234048490378 TCL: atom 1: phi = -0.542284960544 TCL: Center of mass = 2.53056640604 0.00124120962331 -0.234099494467 TCL: atom 1: phi = -0.542299717038 TCL: Center of mass = 2.53153786424 0.00109504853552 -0.234158682504 TCL: atom 1: phi = -0.542246493515 TCL: Center of mass = 2.53252489787 0.000955183295651 -0.234222206313 TCL: atom 1: phi = -0.542294450152 TCL: Center of mass = 2.53354774608 0.00080690178736 -0.234260685389 TCL: atom 1: phi = -0.542436387097 TCL: Center of mass = 2.53456424765 0.000655234390191 -0.234272798618 TCL: atom 1: phi = -0.542696044595 TCL: Center of mass = 2.53559930138 0.000503467886218 -0.234259232821 TCL: atom 1: phi = -0.543022178389 TCL: Center of mass = 2.53661577156 0.000320354371125 -0.234191480537 TCL: atom 1: phi = -0.543436037261 TCL: Center of mass = 2.53763163274 0.000127926701243 -0.234107261401 TCL: atom 1: phi = -0.543835817052 TCL: Center of mass = 2.53862975208 -5.62051665583e-05 -0.234012697403 TCL: atom 1: phi = -0.544161040693 TCL: Center of mass = 2.53964625913 -0.000214952808882 -0.233915018227 TCL: atom 1: phi = -0.544352033659 TCL: Center of mass = 2.54067336025 -0.000335066308936 -0.233818187445 TCL: atom 1: phi = -0.544545246312 TCL: Center of mass = 2.54170636223 -0.000454653154079 -0.233716357303 TCL: atom 1: phi = -0.544612451604 TCL: Center of mass = 2.5427458276 -0.00054100646026 -0.233600216355 TCL: atom 1: phi = -0.544759232461 TCL: Center of mass = 2.54380689458 -0.000631508545998 -0.233460871666 TCL: atom 1: phi = -0.544872110576 TCL: Center of mass = 2.54487531633 -0.000721869878319 -0.233297306993 TCL: atom 1: phi = -0.545105654029 TCL: Center of mass = 2.54594315282 -0.000839465958401 -0.233120735462 TCL: atom 1: phi = -0.5453635195 TCL: Center of mass = 2.54701508677 -0.000971610318804 -0.232922275771 TCL: atom 1: phi = -0.545717725442 TCL: Center of mass = 2.54807315563 -0.00113169314481 -0.232718624064 TCL: atom 1: phi = -0.546064458221 TCL: Center of mass = 2.54910555258 -0.00128600038813 -0.23251792418 TCL: atom 1: phi = -0.546430086703 TCL: Center of mass = 2.55010102579 -0.00146930342359 -0.2323166062 TCL: atom 1: phi = -0.54668560387 TCL: Center of mass = 2.55106868815 -0.00165925495793 -0.232138022788 TCL: atom 1: phi = -0.546901422237 TCL: Center of mass = 2.55203091638 -0.00184301820133 -0.231980683001 TCL: atom 1: phi = -0.546999743958 TCL: Center of mass = 2.55301196813 -0.00200925881066 -0.231858557862 TCL: atom 1: phi = -0.547126956129 TCL: Center of mass = 2.55400176594 -0.00219314437132 -0.231733541205 TCL: atom 1: phi = -0.547294455536 TCL: Center of mass = 2.55503381636 -0.00235727221756 -0.231609821906 TCL: atom 1: phi = -0.547591922697 TCL: Center of mass = 2.55610341107 -0.00253300592051 -0.231461741224 TCL: atom 1: phi = -0.548015361338 TCL: Center of mass = 2.55719708484 -0.0027142314326 -0.231308969678 TCL: atom 1: phi = -0.548577155902 TIMING: 2200 CPU: 117.477, 0.0533219/step Wall: 144.305, 0.0629341/step, 0.311174 hours remaining, 13604 kB of memory in use. ENERGY: 2200 3362.2580 2445.2105 390.6955 40.0656 -44811.1621 4055.7446 0.0000 0.0000 9648.4418 -24868.7462 286.0191 -24725.3137 -24727.2159 284.2018 666.6472 -1684.2591 125000.0000 -2081.7493 -2081.3980 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200 WRITING COORDINATES TO DCD FILE AT STEP 2200 WRITING COORDINATES TO RESTART FILE AT STEP 2200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.55831337434 -0.00292017154414 -0.231150355242 TCL: atom 1: phi = -0.549087024639 TCL: Center of mass = 2.55941182001 -0.00314641566487 -0.230988716803 TCL: atom 1: phi = -0.549589003217 TCL: Center of mass = 2.5605120224 -0.00339635086311 -0.230833679566 TCL: atom 1: phi = -0.54996518657 TCL: Center of mass = 2.56161938689 -0.00362992592303 -0.230696141468 TCL: atom 1: phi = -0.550253491494 TCL: Center of mass = 2.56275477199 -0.00385161132747 -0.230565959836 TCL: atom 1: phi = -0.550344878691 TCL: Center of mass = 2.56394061027 -0.00402919776192 -0.230450300943 TCL: atom 1: phi = -0.550470898839 TCL: Center of mass = 2.56516629964 -0.00418484190981 -0.230331060381 TCL: atom 1: phi = -0.550606464791 TCL: Center of mass = 2.56644422569 -0.00432585268443 -0.230226749476 TCL: atom 1: phi = -0.550811654017 TCL: Center of mass = 2.56775065364 -0.00450976203678 -0.230093324077 TCL: atom 1: phi = -0.55107200496 TCL: Center of mass = 2.56910772014 -0.00469465078985 -0.229971627824 TCL: atom 1: phi = -0.551424143377 TCL: Center of mass = 2.57050005278 -0.00493802933279 -0.229821674254 TCL: atom 1: phi = -0.551814009383 TCL: Center of mass = 2.57190846658 -0.00519274535087 -0.229670806595 TCL: atom 1: phi = -0.552233375934 TCL: Center of mass = 2.57333480901 -0.00548633784168 -0.229517755539 TCL: atom 1: phi = -0.552610645778 TCL: Center of mass = 2.57477766229 -0.00576338722624 -0.22937067925 TCL: atom 1: phi = -0.552943840778 TCL: Center of mass = 2.57622033147 -0.00606003354624 -0.229223336575 TCL: atom 1: phi = -0.553250554795 TCL: Center of mass = 2.57767908728 -0.0063172928212 -0.229078228966 TCL: atom 1: phi = -0.553645492525 TCL: Center of mass = 2.57915800545 -0.00654789509422 -0.228915742177 TCL: atom 1: phi = -0.554192320551 TCL: Center of mass = 2.58065102994 -0.00673916187862 -0.228764259251 TCL: atom 1: phi = -0.554981795886 TCL: Center of mass = 2.58214438932 -0.00695306536916 -0.228598066563 TCL: atom 1: phi = -0.556004298595 TCL: Center of mass = 2.58363763723 -0.00717114238091 -0.228439159586 TCL: atom 1: phi = -0.55733061621 TCL: Center of mass = 2.58511007826 -0.00743174552092 -0.228304938655 TCL: atom 1: phi = -0.558849039775 TCL: Center of mass = 2.586582953 -0.00768493812817 -0.228174281444 TCL: atom 1: phi = -0.560509241766 TCL: Center of mass = 2.58805272597 -0.00795326896013 -0.228053789453 TCL: atom 1: phi = -0.562187288921 TCL: Center of mass = 2.5895237561 -0.00819547292493 -0.22794386873 TCL: atom 1: phi = -0.563879361615 TCL: Center of mass = 2.59098682493 -0.00845180692577 -0.227850591368 TCL: atom 1: phi = -0.565484605867 TCL: Center of mass = 2.59246345515 -0.00868414812967 -0.22774514215 TCL: atom 1: phi = -0.56707893635 TCL: Center of mass = 2.59395095716 -0.00889859670036 -0.227642166296 TCL: atom 1: phi = -0.56862121424 TCL: Center of mass = 2.59543996177 -0.00906986977788 -0.227534888389 TCL: atom 1: phi = -0.57023997479 TCL: Center of mass = 2.59691191277 -0.00924540507146 -0.227427434114 TCL: atom 1: phi = -0.57183376549 TCL: Center of mass = 2.59837227651 -0.00941879126187 -0.227332394564 TCL: atom 1: phi = -0.573426863717 TCL: Center of mass = 2.5998118775 -0.00960833005108 -0.227255330609 TCL: atom 1: phi = -0.57495622597 TCL: Center of mass = 2.60121261552 -0.00981302691859 -0.227172355943 TCL: atom 1: phi = -0.576352219092 TCL: Center of mass = 2.60261960907 -0.0100609487463 -0.227088703845 TCL: atom 1: phi = -0.577509550516 TCL: Center of mass = 2.60402856375 -0.0102893148971 -0.22698502126 TCL: atom 1: phi = -0.578389867906 TCL: Center of mass = 2.60545468066 -0.0105224551527 -0.22687049656 TCL: atom 1: phi = -0.578979540182 TCL: Center of mass = 2.60687052044 -0.0107390071892 -0.226743147704 TCL: atom 1: phi = -0.579380849671 TCL: Center of mass = 2.60829884797 -0.010938817116 -0.226584550084 TCL: atom 1: phi = -0.57964784147 TCL: Center of mass = 2.60969422511 -0.0111069012442 -0.226397748274 TCL: atom 1: phi = -0.579889234969 TCL: Center of mass = 2.61109070577 -0.0112686905193 -0.226203952331 TCL: atom 1: phi = -0.580134145437 TCL: Center of mass = 2.612462873 -0.0113755728847 -0.226029173713 TCL: atom 1: phi = -0.580471543537 TCL: Center of mass = 2.61382302772 -0.0114920281153 -0.225853625169 TCL: atom 1: phi = -0.580760142702 TCL: Center of mass = 2.6151677863 -0.0115787103467 -0.225675790458 TCL: atom 1: phi = -0.581106984762 TCL: Center of mass = 2.61651391509 -0.0116823579929 -0.225493129451 TCL: atom 1: phi = -0.581361036955 TCL: Center of mass = 2.61783961439 -0.0117539230804 -0.225327972571 TCL: atom 1: phi = -0.581597519933 TCL: Center of mass = 2.6191712322 -0.0118371019295 -0.225159903072 TCL: atom 1: phi = -0.581668672405 TCL: Center of mass = 2.62049167536 -0.0118887575264 -0.22500909573 TCL: atom 1: phi = -0.58173681016 TCL: Center of mass = 2.62179008449 -0.0119275129945 -0.224886033653 TCL: atom 1: phi = -0.581775540271 TCL: Center of mass = 2.62306815556 -0.0119366316509 -0.224808571577 TCL: atom 1: phi = -0.581971647056 TCL: Center of mass = 2.62432264441 -0.0119339650902 -0.224772254717 TCL: atom 1: phi = -0.582360228406 TCL: Center of mass = 2.62550797527 -0.0119097176116 -0.224807135343 TCL: atom 1: phi = -0.582996485312 TCL: Center of mass = 2.62664923792 -0.0118872275556 -0.224876148838 TCL: atom 1: phi = -0.583692621035 TCL: Center of mass = 2.62776708251 -0.011861412585 -0.224979645595 TCL: atom 1: phi = -0.584525497712 TCL: Center of mass = 2.62885758405 -0.0118370231452 -0.225107483728 TCL: atom 1: phi = -0.585300753115 TCL: Center of mass = 2.62991287127 -0.011779991668 -0.225250981815 TCL: atom 1: phi = -0.586075345446 TCL: Center of mass = 2.63095879972 -0.0117231050744 -0.225356883718 TCL: atom 1: phi = -0.586677992301 TCL: Center of mass = 2.63198232131 -0.0116400447784 -0.225449365932 TCL: atom 1: phi = -0.587263828394 TCL: Center of mass = 2.63301449188 -0.011559877592 -0.225505866277 TCL: atom 1: phi = -0.587777957531 TCL: Center of mass = 2.63402438856 -0.0114476667521 -0.225548722608 TCL: atom 1: phi = -0.588496339275 TCL: Center of mass = 2.63501607972 -0.0113414798437 -0.225580746987 TCL: atom 1: phi = -0.589283829514 TCL: Center of mass = 2.63599390417 -0.011215882124 -0.225595136896 TCL: atom 1: phi = -0.590294102499 TCL: Center of mass = 2.63693375622 -0.0110911658356 -0.2256146627 TCL: atom 1: phi = -0.591337951576 TCL: Center of mass = 2.63784976176 -0.0109237226399 -0.225645839557 TCL: atom 1: phi = -0.592548290318 TCL: Center of mass = 2.63877326356 -0.0107514378526 -0.225676409131 TCL: atom 1: phi = -0.593677689258 TCL: Center of mass = 2.639720274 -0.0105561568518 -0.225726681765 TCL: atom 1: phi = -0.594794129115 TCL: Center of mass = 2.64068885663 -0.0103766650489 -0.225770521779 TCL: atom 1: phi = -0.595742541204 TCL: Center of mass = 2.64167558761 -0.010180524811 -0.225813691065 TCL: atom 1: phi = -0.596659012097 TCL: Center of mass = 2.64271480756 -0.0100235618835 -0.225837176632 TCL: atom 1: phi = -0.59745883677 TCL: Center of mass = 2.64375818969 -0.00988932204289 -0.225867345224 TCL: atom 1: phi = -0.598367690733 TCL: Center of mass = 2.64481841762 -0.00979952139592 -0.225907865728 TCL: atom 1: phi = -0.599213487295 TCL: Center of mass = 2.64587456723 -0.00972621688167 -0.225996834563 TCL: atom 1: phi = -0.60017800893 TCL: Center of mass = 2.64694775064 -0.0096805963719 -0.226132966502 TCL: atom 1: phi = -0.601058402357 TCL: Center of mass = 2.64800447939 -0.0096315178195 -0.226324596187 TCL: atom 1: phi = -0.601919484523 TCL: Center of mass = 2.64908224099 -0.00958799800231 -0.226535967385 TCL: atom 1: phi = -0.602468025072 TCL: Center of mass = 2.65016579623 -0.00951038427569 -0.226800589678 TCL: atom 1: phi = -0.602844234777 TCL: Center of mass = 2.65127059348 -0.00945769098799 -0.22707151495 TCL: atom 1: phi = -0.602875991176 TCL: Center of mass = 2.65240219934 -0.00938782947373 -0.227362475511 TCL: atom 1: phi = -0.602783144604 TCL: Center of mass = 2.65357568894 -0.00934402319468 -0.227632458137 TCL: atom 1: phi = -0.602441807205 TCL: Center of mass = 2.65475089133 -0.00927417769583 -0.227883422562 TCL: atom 1: phi = -0.602158298739 TCL: Center of mass = 2.65593394481 -0.00922551215686 -0.228116519779 TCL: atom 1: phi = -0.601836599526 TCL: Center of mass = 2.65710737036 -0.00917801161201 -0.228360086069 TCL: atom 1: phi = -0.601765494797 TCL: Center of mass = 2.65829483463 -0.00914710867189 -0.228619632362 TCL: atom 1: phi = -0.60171582723 TCL: Center of mass = 2.65947389711 -0.00909309393248 -0.228879364901 TCL: atom 1: phi = -0.601844657711 TCL: Center of mass = 2.66064737378 -0.0090201256671 -0.229159261124 TCL: atom 1: phi = -0.601880688503 TCL: Center of mass = 2.66181898619 -0.00888126259691 -0.229447725931 TCL: atom 1: phi = -0.602065579071 TCL: Center of mass = 2.66300259507 -0.00871487721794 -0.229718338055 TCL: atom 1: phi = -0.602120280073 TCL: Center of mass = 2.66418549739 -0.00849287079553 -0.2299883508 TCL: atom 1: phi = -0.602240791995 TCL: Center of mass = 2.665384133 -0.00825836038187 -0.230229082323 TCL: atom 1: phi = -0.602266669092 TCL: Center of mass = 2.66660124991 -0.00799463592283 -0.230467247788 TCL: atom 1: phi = -0.602494178573 TCL: Center of mass = 2.66782630838 -0.00773465622179 -0.230695197527 TCL: atom 1: phi = -0.602771611592 TCL: Center of mass = 2.66905043786 -0.00746758686212 -0.230908635558 TCL: atom 1: phi = -0.603362895237 TCL: Center of mass = 2.67029183328 -0.00724628871231 -0.231109572956 TCL: atom 1: phi = -0.604080840832 TCL: Center of mass = 2.67154763948 -0.0070062915993 -0.231307319035 TCL: atom 1: phi = -0.604971257846 TCL: Center of mass = 2.67282739583 -0.00675660714289 -0.231500313516 TCL: atom 1: phi = -0.605833115502 TCL: Center of mass = 2.67413661901 -0.00647610950372 -0.231699618415 TCL: atom 1: phi = -0.606769584595 TCL: Center of mass = 2.67546186309 -0.00618404510901 -0.231898729902 TCL: atom 1: phi = -0.60749995403 TCL: Center of mass = 2.67678521376 -0.00583998978623 -0.232108989131 TCL: atom 1: phi = -0.608223994147 TCL: Center of mass = 2.67814053216 -0.00552200345634 -0.232320690998 TCL: atom 1: phi = -0.608773414018 TCL: Center of mass = 2.67949670641 -0.00523400836212 -0.232524879765 TCL: atom 1: phi = -0.609433939655 TCL: Center of mass = 2.68088148355 -0.00501449586224 -0.232687489984 TCL: atom 1: phi = -0.610137835522 TCL: Center of mass = 2.68227136388 -0.00483462222144 -0.232834231347 TCL: atom 1: phi = -0.611077529073 WRITING COORDINATES TO DCD FILE AT STEP 2300 WRITING COORDINATES TO RESTART FILE AT STEP 2300 FINISHED WRITING RESTART COORDINATES TIMING: 2300 CPU: 122.799, 0.0532219/step Wall: 150.71, 0.0640426/step, 0.314876 hours remaining, 13604 kB of memory in use. ENERGY: 2300 3317.1244 2382.8170 393.5876 43.7152 -44694.7287 4060.9066 0.0000 0.0000 9629.7454 -24866.8325 285.4648 -24724.9542 -24719.8220 284.2339 683.3165 -1682.8496 125000.0000 -1676.0933 -1677.9287 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300 WRITING VELOCITIES TO RESTART FILE AT STEP 2300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.68367412141 -0.00470060205784 -0.232951758239 TCL: atom 1: phi = -0.612035233618 TCL: Center of mass = 2.68506866377 -0.00459438592939 -0.23304340224 TCL: atom 1: phi = -0.613267558749 TCL: Center of mass = 2.68649880588 -0.00451757411384 -0.233087050441 TCL: atom 1: phi = -0.614401956204 TCL: Center of mass = 2.68795473808 -0.00443960794317 -0.233083788854 TCL: atom 1: phi = -0.615601642882 TCL: Center of mass = 2.68941030153 -0.0043428179408 -0.233044653571 TCL: atom 1: phi = -0.616560217082 TCL: Center of mass = 2.6908771303 -0.00418977123946 -0.232988234372 TCL: atom 1: phi = -0.617456306807 TCL: Center of mass = 2.69236493244 -0.00400222218748 -0.232909618191 TCL: atom 1: phi = -0.61811404079 TCL: Center of mass = 2.69389084996 -0.00377008363357 -0.232818453278 TCL: atom 1: phi = -0.618842508717 TCL: Center of mass = 2.69543221161 -0.00354438421262 -0.23272202668 TCL: atom 1: phi = -0.619470230049 TCL: Center of mass = 2.69697894978 -0.00331267073682 -0.232610064543 TCL: atom 1: phi = -0.620300601339 TCL: Center of mass = 2.69854233742 -0.00309860974582 -0.232487481533 TCL: atom 1: phi = -0.621077865553 TCL: Center of mass = 2.70013848812 -0.00289209746863 -0.232372099158 TCL: atom 1: phi = -0.621970201836 TCL: Center of mass = 2.70176466339 -0.00269982258653 -0.232255312025 TCL: atom 1: phi = -0.622737129568 TCL: Center of mass = 2.70338617488 -0.0024976545288 -0.232143523992 TCL: atom 1: phi = -0.623470772465 TCL: Center of mass = 2.70502687117 -0.00231067531269 -0.23205436143 TCL: atom 1: phi = -0.623860140137 TCL: Center of mass = 2.70667713066 -0.00209921183689 -0.231977374744 TCL: atom 1: phi = -0.624120146916 TCL: Center of mass = 2.7083356909 -0.00188597011678 -0.231930967641 TCL: atom 1: phi = -0.624064770973 TCL: Center of mass = 2.70998686334 -0.00166515158747 -0.231935103244 TCL: atom 1: phi = -0.624035343373 TCL: Center of mass = 2.71161335945 -0.00145362975198 -0.231967969057 TCL: atom 1: phi = -0.623885929097 TCL: Center of mass = 2.71322128953 -0.00124708162255 -0.232055084315 TCL: atom 1: phi = -0.623892190405 TCL: Center of mass = 2.71480299958 -0.00108438417478 -0.232148785682 TCL: atom 1: phi = -0.623873826057 TCL: Center of mass = 2.71636489911 -0.000934181966532 -0.232251113629 TCL: atom 1: phi = -0.624026628942 TCL: Center of mass = 2.71792014322 -0.000834488919723 -0.23235759418 TCL: atom 1: phi = -0.62400067855 TCL: Center of mass = 2.71948154606 -0.000757154202528 -0.23243998503 TCL: atom 1: phi = -0.624055014146 TCL: Center of mass = 2.72103372568 -0.000729769595466 -0.232499563119 TCL: atom 1: phi = -0.623863088837 TCL: Center of mass = 2.7225822651 -0.000709835735806 -0.232553194089 TCL: atom 1: phi = -0.623628134862 TCL: Center of mass = 2.7241000554 -0.000700352526757 -0.23258433892 TCL: atom 1: phi = -0.623142570537 TCL: Center of mass = 2.72558974465 -0.000670799531327 -0.232605783839 TCL: atom 1: phi = -0.622652267396 TCL: Center of mass = 2.72705471681 -0.000639889894912 -0.232623640922 TCL: atom 1: phi = -0.622004071422 TCL: Center of mass = 2.72849458186 -0.00059457608993 -0.232632963321 TCL: atom 1: phi = -0.621469967214 TCL: Center of mass = 2.72993331355 -0.000551780523399 -0.232627438112 TCL: atom 1: phi = -0.62087311749 TCL: Center of mass = 2.73137686183 -0.000484978801294 -0.232581894718 TCL: atom 1: phi = -0.620404194794 TCL: Center of mass = 2.73281735088 -0.000424159377577 -0.232500491628 TCL: atom 1: phi = -0.619788708405 TCL: Center of mass = 2.7342515178 -0.000349332909215 -0.232402949161 TCL: atom 1: phi = -0.619158405768 TCL: Center of mass = 2.73570725542 -0.000288986365312 -0.232261629071 TCL: atom 1: phi = -0.618258343253 TCL: Center of mass = 2.73718305404 -0.000240747076132 -0.232081975666 TCL: atom 1: phi = -0.617223189939 TCL: Center of mass = 2.73865001877 -0.000224939309799 -0.231878218432 TCL: atom 1: phi = -0.615927961985 TCL: Center of mass = 2.74011244292 -0.000202046137089 -0.231679958453 TCL: atom 1: phi = -0.614699258919 TCL: Center of mass = 2.74157066053 -0.000226910906828 -0.231494533765 TCL: atom 1: phi = -0.613360399807 TCL: Center of mass = 2.74303109922 -0.000249128482053 -0.231346682678 TCL: atom 1: phi = -0.612205130922 TCL: Center of mass = 2.74451788185 -0.000283034820536 -0.231238806447 TCL: atom 1: phi = -0.611032515803 TCL: Center of mass = 2.74600800571 -0.000305753345721 -0.231143862628 TCL: atom 1: phi = -0.610114419594 TCL: Center of mass = 2.74750677409 -0.000350463352319 -0.23107865109 TCL: atom 1: phi = -0.609241610609 TCL: Center of mass = 2.74900465274 -0.000414497415993 -0.231012289982 TCL: atom 1: phi = -0.608646002866 TCL: Center of mass = 2.75054238957 -0.00051714409453 -0.230933495929 TCL: atom 1: phi = -0.607989964773 TCL: Center of mass = 2.75208043182 -0.000658609889187 -0.230832146647 TCL: atom 1: phi = -0.607474064426 TCL: Center of mass = 2.7536324238 -0.000833720809115 -0.23071094671 TCL: atom 1: phi = -0.606871791631 TCL: Center of mass = 2.75517035958 -0.00103077743991 -0.230571146392 TCL: atom 1: phi = -0.606457226505 TCL: Center of mass = 2.75671225237 -0.00126260166995 -0.230440903826 TCL: atom 1: phi = -0.606057451632 TCL: Center of mass = 2.75825569112 -0.00149307106189 -0.230306524313 TCL: atom 1: phi = -0.605913966837 TCL: Center of mass = 2.75979050176 -0.00171518650601 -0.230208108932 TCL: atom 1: phi = -0.605766527941 TCL: Center of mass = 2.76131342175 -0.00189044101808 -0.23011902651 TCL: atom 1: phi = -0.605900626533 TCL: Center of mass = 2.7628581091 -0.00205802488987 -0.230071280817 TCL: atom 1: phi = -0.605913782119 TCL: Center of mass = 2.76438539769 -0.00218266355706 -0.230015280873 TCL: atom 1: phi = -0.605960454764 TCL: Center of mass = 2.76592552599 -0.0022868156132 -0.229937764132 TCL: atom 1: phi = -0.605696233821 TCL: Center of mass = 2.76745436615 -0.00237069494964 -0.229832502188 TCL: atom 1: phi = -0.605293189461 TCL: Center of mass = 2.76897667082 -0.00243524002639 -0.229680602214 TCL: atom 1: phi = -0.604534917698 TCL: Center of mass = 2.77046885663 -0.00248959407755 -0.229506796515 TCL: atom 1: phi = -0.603823730513 TCL: Center of mass = 2.77193116467 -0.00254161994745 -0.229304892589 TCL: atom 1: phi = -0.602966332179 TCL: Center of mass = 2.77335319323 -0.00256842601521 -0.229100243437 TCL: atom 1: phi = -0.602309141811 TCL: Center of mass = 2.77474915006 -0.00258754550637 -0.228901858773 TCL: atom 1: phi = -0.601576825945 TCL: Center of mass = 2.77610262837 -0.00254565972496 -0.228721513264 TCL: atom 1: phi = -0.601100362443 TCL: Center of mass = 2.77744157874 -0.00248728114466 -0.228542676624 TCL: atom 1: phi = -0.600606422703 TCL: Center of mass = 2.77874205449 -0.00238296625799 -0.228360201095 TCL: atom 1: phi = -0.600313259729 TCL: Center of mass = 2.78002558203 -0.00228126135464 -0.228115852589 TCL: atom 1: phi = -0.599936642781 TCL: Center of mass = 2.78126567557 -0.00216066527747 -0.227825892911 TCL: atom 1: phi = -0.599685895205 TCL: Center of mass = 2.78249674462 -0.00206796320944 -0.227478786558 TCL: atom 1: phi = -0.599289691599 TCL: Center of mass = 2.78370490066 -0.00198625005701 -0.227099994364 TCL: atom 1: phi = -0.599067852638 TCL: Center of mass = 2.78489979703 -0.00195377446559 -0.226692161667 TCL: atom 1: phi = -0.598833189494 TCL: Center of mass = 2.7860957793 -0.00194583686067 -0.226258862501 TCL: atom 1: phi = -0.598831318957 TCL: Center of mass = 2.78729136238 -0.00196255787719 -0.225807440615 TCL: atom 1: phi = -0.598903284152 TCL: Center of mass = 2.78851212457 -0.00197095954181 -0.225368078136 TCL: atom 1: phi = -0.599203216272 TCL: Center of mass = 2.78974942672 -0.00200179956796 -0.224932412536 TCL: atom 1: phi = -0.599414271922 TCL: Center of mass = 2.79100071421 -0.00199845549963 -0.224516503592 TCL: atom 1: phi = -0.59969824511 TCL: Center of mass = 2.79224812827 -0.00197098737713 -0.224117308586 TCL: atom 1: phi = -0.599797875272 TCL: Center of mass = 2.79350207477 -0.00193642715609 -0.223742681194 TCL: atom 1: phi = -0.599880778589 TCL: Center of mass = 2.79477346148 -0.00192502530274 -0.223366023754 TCL: atom 1: phi = -0.599767389294 TCL: Center of mass = 2.79603534857 -0.00191979049701 -0.222986924514 TCL: atom 1: phi = -0.599708872221 TCL: Center of mass = 2.79731385687 -0.00194475196833 -0.222607841522 TCL: atom 1: phi = -0.599522676275 TCL: Center of mass = 2.79858811713 -0.00195074880285 -0.222254853706 TCL: atom 1: phi = -0.599484852729 TCL: Center of mass = 2.79986912417 -0.00197598420801 -0.221919618107 TCL: atom 1: phi = -0.599460596129 TCL: Center of mass = 2.80115489098 -0.00194519371464 -0.221615518905 TCL: atom 1: phi = -0.599621617499 TCL: Center of mass = 2.80244892288 -0.00189004623776 -0.221302210157 TCL: atom 1: phi = -0.5997815471 TCL: Center of mass = 2.8037314744 -0.00177892304986 -0.221019922251 TCL: atom 1: phi = -0.60003356111 TCL: Center of mass = 2.80500210182 -0.00165324429151 -0.220744629462 TCL: atom 1: phi = -0.600170980513 TCL: Center of mass = 2.80625632288 -0.0014839755087 -0.220501592012 TCL: atom 1: phi = -0.600385688949 TCL: Center of mass = 2.80747377456 -0.00134120830778 -0.220265390853 TCL: atom 1: phi = -0.600431163553 TCL: Center of mass = 2.80867574708 -0.00117736526631 -0.220062573717 TCL: atom 1: phi = -0.600521515313 TCL: Center of mass = 2.80986825541 -0.00104151421495 -0.21985641052 TCL: atom 1: phi = -0.600531324652 TCL: Center of mass = 2.81103512277 -0.000898490135555 -0.219658067251 TCL: atom 1: phi = -0.600676140495 TCL: Center of mass = 2.81218480072 -0.000771110206245 -0.219435570181 TCL: atom 1: phi = -0.600799877862 TCL: Center of mass = 2.81335924207 -0.000656022269714 -0.219212064327 TCL: atom 1: phi = -0.601048771183 TCL: Center of mass = 2.81454551003 -0.000551546540506 -0.218966797004 TCL: atom 1: phi = -0.601226804194 TCL: Center of mass = 2.81574437966 -0.000449630833907 -0.218708547566 TCL: atom 1: phi = -0.601375143273 TCL: Center of mass = 2.81697664329 -0.000375647752457 -0.218444765545 TCL: atom 1: phi = -0.60128738882 TCL: Center of mass = 2.8182061474 -0.000314664704241 -0.218179613735 TCL: atom 1: phi = -0.601024158833 TCL: Center of mass = 2.81943973747 -0.00029801496793 -0.217910537545 TCL: atom 1: phi = -0.60045584221 TCL: Center of mass = 2.82065931494 -0.0002686454923 -0.217647431848 TCL: atom 1: phi = -0.599812590649 TCL: Center of mass = 2.82187240743 -0.000272712483868 -0.217386575996 TCL: atom 1: phi = -0.598983739261 TCL: Center of mass = 2.82307292095 -0.000276458546969 -0.217154263445 TCL: atom 1: phi = -0.59821659157 WRITING COORDINATES TO DCD FILE AT STEP 2400 WRITING COORDINATES TO RESTART FILE AT STEP 2400 FINISHED WRITING RESTART COORDINATES TIMING: 2400 CPU: 128.134, 0.0533419/step Wall: 157.025, 0.0631526/step, 0.308746 hours remaining, 13604 kB of memory in use. ENERGY: 2400 3448.3531 2346.2190 396.4030 35.9964 -45054.7976 4386.1672 0.0000 0.0000 9566.5590 -24875.0999 283.5917 -24728.3586 -24740.4717 285.0690 1242.4848 -1037.3241 125000.0000 -1362.3052 -1364.2099 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400 WRITING VELOCITIES TO RESTART FILE AT STEP 2400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.82427160263 -0.000292654232852 -0.216913530296 TCL: atom 1: phi = -0.597357084772 TCL: Center of mass = 2.82545970106 -0.000277110356162 -0.216678268341 TCL: atom 1: phi = -0.596521121793 TCL: Center of mass = 2.8266534527 -0.000264355049147 -0.216418430537 TCL: atom 1: phi = -0.595626271918 TCL: Center of mass = 2.82786035121 -0.000211310011692 -0.216167710742 TCL: atom 1: phi = -0.594780460859 TCL: Center of mass = 2.8290858504 -0.000148822156428 -0.215937418055 TCL: atom 1: phi = -0.593802428478 TCL: Center of mass = 2.83030086716 -4.23381902733e-05 -0.215736355382 TCL: atom 1: phi = -0.592826763255 TCL: Center of mass = 2.8315023086 6.35971028168e-05 -0.215527944984 TCL: atom 1: phi = -0.591756443172 TCL: Center of mass = 2.83270603945 0.000221829098945 -0.215355536779 TCL: atom 1: phi = -0.590692488679 TCL: Center of mass = 2.83391061284 0.000404809086476 -0.215199261951 TCL: atom 1: phi = -0.589611284475 TCL: Center of mass = 2.83510058834 0.000661585530822 -0.215055684048 TCL: atom 1: phi = -0.588712169067 TCL: Center of mass = 2.83626602302 0.000961118599658 -0.214881963847 TCL: atom 1: phi = -0.587927757357 TCL: Center of mass = 2.8374159656 0.00129264393273 -0.214706829367 TCL: atom 1: phi = -0.587348849862 TCL: Center of mass = 2.83856540572 0.00160609966742 -0.214531391031 TCL: atom 1: phi = -0.586821905855 TCL: Center of mass = 2.83972123022 0.00194403574939 -0.214350047013 TCL: atom 1: phi = -0.586441524239 TCL: Center of mass = 2.84090114233 0.00227417034748 -0.21414169092 TCL: atom 1: phi = -0.586016045507 TCL: Center of mass = 2.84209703293 0.00257718393171 -0.213951939586 TCL: atom 1: phi = -0.585582712882 TCL: Center of mass = 2.84331222059 0.00284537971511 -0.2137865466 TCL: atom 1: phi = -0.585039117806 TCL: Center of mass = 2.84453240233 0.00311080198458 -0.213657465855 TCL: atom 1: phi = -0.584485521512 TCL: Center of mass = 2.84575800928 0.00334310831263 -0.213560680207 TCL: atom 1: phi = -0.583849437757 TCL: Center of mass = 2.84698495658 0.00357273301959 -0.213506833494 TCL: atom 1: phi = -0.583339899455 TCL: Center of mass = 2.84821012318 0.0037874755332 -0.213465945941 TCL: atom 1: phi = -0.582919385081 TCL: Center of mass = 2.84944173455 0.00398665861052 -0.213451277771 TCL: atom 1: phi = -0.582718219132 TCL: Center of mass = 2.85069219791 0.00413152241551 -0.213431453138 TCL: atom 1: phi = -0.582581685377 TCL: Center of mass = 2.85193136369 0.00423001886965 -0.213426492982 TCL: atom 1: phi = -0.582607489359 TCL: Center of mass = 2.85318113231 0.00430344631442 -0.213417591652 TCL: atom 1: phi = -0.582618673307 TCL: Center of mass = 2.85443334623 0.00435362964791 -0.21343306049 TCL: atom 1: phi = -0.582749555239 TCL: Center of mass = 2.8556876143 0.00437406420573 -0.213444457343 TCL: atom 1: phi = -0.582800282044 TCL: Center of mass = 2.85694557119 0.0043850007081 -0.213470514016 TCL: atom 1: phi = -0.582941537078 TCL: Center of mass = 2.85817490898 0.00440096223352 -0.213500785376 TCL: atom 1: phi = -0.583045161113 TCL: Center of mass = 2.85939929762 0.00445190642557 -0.213557308663 TCL: atom 1: phi = -0.583262778139 TCL: Center of mass = 2.86063052192 0.0045207397496 -0.21360921259 TCL: atom 1: phi = -0.583395215522 TCL: Center of mass = 2.86185603612 0.00463885157704 -0.213662369834 TCL: atom 1: phi = -0.583627738129 TCL: Center of mass = 2.86308617275 0.00477695672055 -0.213682206817 TCL: atom 1: phi = -0.583753303937 TCL: Center of mass = 2.86432609762 0.00494920205808 -0.213669304164 TCL: atom 1: phi = -0.583861097918 TCL: Center of mass = 2.86558602999 0.00511218535519 -0.213613371647 TCL: atom 1: phi = -0.583783427229 TCL: Center of mass = 2.86687178712 0.00525827963918 -0.213529614181 TCL: atom 1: phi = -0.583533419712 TCL: Center of mass = 2.86818079315 0.00539302452841 -0.213417644901 TCL: atom 1: phi = -0.583050079377 TCL: Center of mass = 2.86951347696 0.00553432855725 -0.21328000803 TCL: atom 1: phi = -0.582404351822 TCL: Center of mass = 2.87086646909 0.00564592371745 -0.213135086684 TCL: atom 1: phi = -0.581569929852 TCL: Center of mass = 2.8722425835 0.00574495078912 -0.212972504724 TCL: atom 1: phi = -0.580757527998 TCL: Center of mass = 2.87363276817 0.00582775954884 -0.212795975662 TCL: atom 1: phi = -0.579880881644 TCL: Center of mass = 2.87503694004 0.00591071841092 -0.212609317519 TCL: atom 1: phi = -0.579145809832 TCL: Center of mass = 2.87644525081 0.0059719986801 -0.21240655372 TCL: atom 1: phi = -0.578397172455 TCL: Center of mass = 2.8778632696 0.00603590271136 -0.212202843228 TCL: atom 1: phi = -0.577787769646 TCL: Center of mass = 2.8792796197 0.00608538350597 -0.211997699942 TCL: atom 1: phi = -0.577156301852 TCL: Center of mass = 2.88068076006 0.00612448359936 -0.211784880671 TCL: atom 1: phi = -0.576660810123 TCL: Center of mass = 2.88206806231 0.00613153073735 -0.21155799397 TCL: atom 1: phi = -0.5762010402 TCL: Center of mass = 2.88343146598 0.00614895976498 -0.211372589874 TCL: atom 1: phi = -0.575924971464 TCL: Center of mass = 2.88479140548 0.00617328144546 -0.211207820499 TCL: atom 1: phi = -0.575679605268 TCL: Center of mass = 2.88613065857 0.00624684211601 -0.211091102194 TCL: atom 1: phi = -0.575641522619 TCL: Center of mass = 2.88746186474 0.00634881514234 -0.210991480878 TCL: atom 1: phi = -0.575717109456 TCL: Center of mass = 2.88876763585 0.00651965138855 -0.210904224911 TCL: atom 1: phi = -0.576023794344 TCL: Center of mass = 2.89008649725 0.00672101087116 -0.210810652283 TCL: atom 1: phi = -0.576378220074 TCL: Center of mass = 2.89136603183 0.00698131464189 -0.21070565572 TCL: atom 1: phi = -0.576905106072 TCL: Center of mass = 2.89262641584 0.00727139843436 -0.210581588538 TCL: atom 1: phi = -0.577350564439 TCL: Center of mass = 2.89385386987 0.00760427910161 -0.210433763437 TCL: atom 1: phi = -0.577799237927 TCL: Center of mass = 2.89507691103 0.00793777466935 -0.210246959412 TCL: atom 1: phi = -0.578078589024 TCL: Center of mass = 2.89627986485 0.00830635812584 -0.210042419565 TCL: atom 1: phi = -0.578328817421 TCL: Center of mass = 2.89748462909 0.00867092268671 -0.209811538341 TCL: atom 1: phi = -0.578405427654 TCL: Center of mass = 2.89870108847 0.00905901547153 -0.209563228163 TCL: atom 1: phi = -0.578488848898 TCL: Center of mass = 2.89994869494 0.00946257319226 -0.209298693928 TCL: atom 1: phi = -0.57839310264 TCL: Center of mass = 2.90123201927 0.00986489196366 -0.209027797605 TCL: atom 1: phi = -0.578271486537 TCL: Center of mass = 2.90254926807 0.0102294460587 -0.20875663202 TCL: atom 1: phi = -0.578013641949 TCL: Center of mass = 2.90385724279 0.010562222735 -0.208467632525 TCL: atom 1: phi = -0.57777356339 TCL: Center of mass = 2.90518662449 0.0108218969716 -0.208145358499 TCL: atom 1: phi = -0.577375076301 TCL: Center of mass = 2.90649730421 0.0110318711485 -0.20777892958 TCL: atom 1: phi = -0.576932285256 TCL: Center of mass = 2.90780457756 0.011165584879 -0.207388341896 TCL: atom 1: phi = -0.576311543321 TCL: Center of mass = 2.90909715868 0.0112687098965 -0.206986739942 TCL: atom 1: phi = -0.575735981143 TCL: Center of mass = 2.9103835139 0.0113562301787 -0.206577158617 TCL: atom 1: phi = -0.575075320205 TCL: Center of mass = 2.91168713037 0.0114317069845 -0.20620141082 TCL: atom 1: phi = -0.574509776986 TCL: Center of mass = 2.91301824505 0.011490258178 -0.205828132008 TCL: atom 1: phi = -0.573911482684 TCL: Center of mass = 2.91434532191 0.0115621033802 -0.205492026136 TCL: atom 1: phi = -0.573367328622 TCL: Center of mass = 2.91569524773 0.0116164165709 -0.20517344576 TCL: atom 1: phi = -0.572784011884 TCL: Center of mass = 2.91701864451 0.0116966429604 -0.204895003205 TCL: atom 1: phi = -0.572267488387 TCL: Center of mass = 2.91834581438 0.0117697544965 -0.20461458554 TCL: atom 1: phi = -0.571710505126 TCL: Center of mass = 2.91964172664 0.0118537283312 -0.204373964546 TCL: atom 1: phi = -0.571156118082 TCL: Center of mass = 2.92093646353 0.0119383988033 -0.204151584312 TCL: atom 1: phi = -0.570476045526 TCL: Center of mass = 2.92220588356 0.0120637751237 -0.203950630336 TCL: atom 1: phi = -0.569773406234 TCL: Center of mass = 2.92347571443 0.0121823669295 -0.203771840495 TCL: atom 1: phi = -0.568903779241 TCL: Center of mass = 2.92472617852 0.0123446580322 -0.203617987274 TCL: atom 1: phi = -0.568052728323 TCL: Center of mass = 2.92600357828 0.0125078343603 -0.203475553926 TCL: atom 1: phi = -0.567107711066 TCL: Center of mass = 2.92726088131 0.0126874146923 -0.203339670881 TCL: atom 1: phi = -0.566235803222 TCL: Center of mass = 2.92855429815 0.0128440614997 -0.203210762624 TCL: atom 1: phi = -0.565297034297 TCL: Center of mass = 2.92985414411 0.0130182788719 -0.20307671331 TCL: atom 1: phi = -0.564454179151 TCL: Center of mass = 2.93115462242 0.0131906290946 -0.202943630037 TCL: atom 1: phi = -0.56359029931 TCL: Center of mass = 2.93244627669 0.0133652864078 -0.202805315553 TCL: atom 1: phi = -0.562876127813 TCL: Center of mass = 2.93373765062 0.0134987338924 -0.202671672719 TCL: atom 1: phi = -0.562130205249 TCL: Center of mass = 2.93501226816 0.0136198705005 -0.202519156155 TCL: atom 1: phi = -0.561562499693 TCL: Center of mass = 2.93627740495 0.0137205864752 -0.202355407748 TCL: atom 1: phi = -0.561089656646 TCL: Center of mass = 2.9375552133 0.0138167753277 -0.202177821564 TCL: atom 1: phi = -0.560927972115 TCL: Center of mass = 2.93885031366 0.0138801646727 -0.201981595754 TCL: atom 1: phi = -0.56096912499 TCL: Center of mass = 2.94016565733 0.0139379449181 -0.201783244958 TCL: atom 1: phi = -0.56131369631 TCL: Center of mass = 2.94146655118 0.0139818314881 -0.201589854484 TCL: atom 1: phi = -0.561811301614 TCL: Center of mass = 2.94277430638 0.0140398544914 -0.20139290196 TCL: atom 1: phi = -0.562608088602 TCL: Center of mass = 2.94408333323 0.0140946165343 -0.201215221911 TCL: atom 1: phi = -0.563460815483 TCL: Center of mass = 2.94538522368 0.0141611773172 -0.201050658346 TCL: atom 1: phi = -0.56446495572 TCL: Center of mass = 2.94670167793 0.0142414810677 -0.200892396663 TCL: atom 1: phi = -0.565416082648 TCL: Center of mass = 2.9480240266 0.0143488226227 -0.200755605738 TCL: atom 1: phi = -0.566454360667 TCL: Center of mass = 2.94935501443 0.0144692114951 -0.200632205777 TCL: atom 1: phi = -0.56738804491 TCL: Center of mass = 2.95067307735 0.0146351257168 -0.200537517009 TCL: atom 1: phi = -0.568436285934 WRITING COORDINATES TO DCD FILE AT STEP 2500 WRITING COORDINATES TO RESTART FILE AT STEP 2500 FINISHED WRITING RESTART COORDINATES TIMING: 2500 CPU: 133.449, 0.0531519/step Wall: 163.374, 0.0634886/step, 0.308625 hours remaining, 13604 kB of memory in use. ENERGY: 2500 3281.0755 2464.0628 389.7656 35.4209 -45011.8695 4314.8647 0.0000 0.0000 9614.6291 -24912.0510 285.0167 -24769.3405 -24764.8842 284.0769 1249.3488 -1202.4216 125000.0000 -1195.7142 -1201.8697 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500 WRITING VELOCITIES TO RESTART FILE AT STEP 2500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.95200026126 0.0148227262301 -0.200432413903 TCL: atom 1: phi = -0.569404546247 TCL: Center of mass = 2.95331103033 0.0150327195707 -0.20036155514 TCL: atom 1: phi = -0.570376007488 TCL: Center of mass = 2.95461431761 0.015234467311 -0.200298186756 TCL: atom 1: phi = -0.57124301964 TCL: Center of mass = 2.95588563351 0.0154385998324 -0.200249961906 TCL: atom 1: phi = -0.572100275134 TCL: Center of mass = 2.95714731197 0.0156326582241 -0.200206333955 TCL: atom 1: phi = -0.572787720835 TCL: Center of mass = 2.9584000423 0.0158387739006 -0.200192318069 TCL: atom 1: phi = -0.573349216143 TCL: Center of mass = 2.95964530973 0.0160365459859 -0.200177958913 TCL: atom 1: phi = -0.573620033238 TCL: Center of mass = 2.96088947412 0.016220282662 -0.2001817518 TCL: atom 1: phi = -0.573855451124 TCL: Center of mass = 2.96213735011 0.0163714707645 -0.200181424954 TCL: atom 1: phi = -0.573881134617 TCL: Center of mass = 2.96339966429 0.0165073632296 -0.200187589541 TCL: atom 1: phi = -0.573914444335 TCL: Center of mass = 2.9646624354 0.0166230217176 -0.200169959162 TCL: atom 1: phi = -0.573764142739 TCL: Center of mass = 2.96590242569 0.0167011984661 -0.200142174661 TCL: atom 1: phi = -0.573675990613 TCL: Center of mass = 2.96714542598 0.0167236609386 -0.200099973362 TCL: atom 1: phi = -0.573503524332 TCL: Center of mass = 2.96838091976 0.0167242773848 -0.200073172882 TCL: atom 1: phi = -0.573426243218 TCL: Center of mass = 2.96962007299 0.0166820179 -0.200052211923 TCL: atom 1: phi = -0.573320403336 TCL: Center of mass = 2.9708680544 0.0166495197808 -0.20004478095 TCL: atom 1: phi = -0.573299581234 TCL: Center of mass = 2.97212336098 0.0165973544723 -0.200029507486 TCL: atom 1: phi = -0.573219082005 TCL: Center of mass = 2.97339561456 0.0165571072879 -0.200028566925 TCL: atom 1: phi = -0.573269494909 TCL: Center of mass = 2.97470451769 0.0165296811282 -0.200027179387 TCL: atom 1: phi = -0.5733104467 TCL: Center of mass = 2.97602262563 0.0165303543231 -0.200047054918 TCL: atom 1: phi = -0.573471725749 TCL: Center of mass = 2.97736156886 0.0165512522788 -0.200080015147 TCL: atom 1: phi = -0.573631365856 TCL: Center of mass = 2.97870674995 0.0166152417939 -0.200118324794 TCL: atom 1: phi = -0.573897987513 TCL: Center of mass = 2.98006487507 0.016685723412 -0.200132181003 TCL: atom 1: phi = -0.574102735429 TCL: Center of mass = 2.98141178222 0.016782615579 -0.200159449104 TCL: atom 1: phi = -0.574329337134 TCL: Center of mass = 2.98275346141 0.0168869831921 -0.200179616811 TCL: atom 1: phi = -0.574550317818 TCL: Center of mass = 2.98408714165 0.0170230099741 -0.200217243982 TCL: atom 1: phi = -0.574847792535 TCL: Center of mass = 2.98542060765 0.0171525305719 -0.200258409909 TCL: atom 1: phi = -0.575114842622 TCL: Center of mass = 2.98671889309 0.0173041214313 -0.200314631434 TCL: atom 1: phi = -0.575458610475 TCL: Center of mass = 2.98802656949 0.0174509061245 -0.200391881387 TCL: atom 1: phi = -0.575764009891 TCL: Center of mass = 2.98932571538 0.0176124141228 -0.200482352407 TCL: atom 1: phi = -0.576147141012 TCL: Center of mass = 2.99062518101 0.0177586002947 -0.200571205335 TCL: atom 1: phi = -0.576590376897 TCL: Center of mass = 2.99190082255 0.0178830649039 -0.200656107679 TCL: atom 1: phi = -0.577175795755 TCL: Center of mass = 2.99318034709 0.0179811299606 -0.200707039855 TCL: atom 1: phi = -0.577718926604 TCL: Center of mass = 2.99443212535 0.0180545911959 -0.200765363422 TCL: atom 1: phi = -0.578371173766 TCL: Center of mass = 2.99565643532 0.0180636577513 -0.200830754297 TCL: atom 1: phi = -0.578949512594 TCL: Center of mass = 2.99685970303 0.0180267757052 -0.20089210138 TCL: atom 1: phi = -0.579567361676 TCL: Center of mass = 2.99805307019 0.017937795909 -0.200947294326 TCL: atom 1: phi = -0.580081734423 TCL: Center of mass = 2.99921751817 0.0178413681671 -0.201019361255 TCL: atom 1: phi = -0.580596081138 TCL: Center of mass = 3.00036989651 0.0177180570226 -0.201093781302 TCL: atom 1: phi = -0.581022644728 TCL: Center of mass = 3.00151956771 0.017600179498 -0.201187237561 TCL: atom 1: phi = -0.581476229213 TCL: Center of mass = 3.00268782443 0.0174782235554 -0.201302303142 TCL: atom 1: phi = -0.581780066325 TCL: Center of mass = 3.0038396711 0.0173872111657 -0.20140853453 TCL: atom 1: phi = -0.582032207143 TCL: Center of mass = 3.0049942941 0.0172961079919 -0.201496217625 TCL: atom 1: phi = -0.58209203164 TCL: Center of mass = 3.00613641487 0.0172281420954 -0.201588299168 TCL: atom 1: phi = -0.582082791405 TCL: Center of mass = 3.0072820746 0.0171573891783 -0.20167653383 TCL: atom 1: phi = -0.581895926413 TCL: Center of mass = 3.0084222947 0.0171311413089 -0.201764368964 TCL: atom 1: phi = -0.581653771811 TCL: Center of mass = 3.00957722566 0.0171307644534 -0.201836759709 TCL: atom 1: phi = -0.58129891794 TCL: Center of mass = 3.0107096621 0.0171593886939 -0.20192583137 TCL: atom 1: phi = -0.581005458438 TCL: Center of mass = 3.01186242075 0.0172098979645 -0.202022279537 TCL: atom 1: phi = -0.580654509981 TCL: Center of mass = 3.01301122718 0.0172737730925 -0.202130604597 TCL: atom 1: phi = -0.580435055262 TCL: Center of mass = 3.01418505356 0.0173551248132 -0.202252437859 TCL: atom 1: phi = -0.580220909248 TCL: Center of mass = 3.01535777198 0.0174675895225 -0.202364646508 TCL: atom 1: phi = -0.580162051835 TCL: Center of mass = 3.01654357523 0.0175767754221 -0.202460438126 TCL: atom 1: phi = -0.580119182746 TCL: Center of mass = 3.0177262292 0.0176779507413 -0.202532583358 TCL: atom 1: phi = -0.580273131805 TCL: Center of mass = 3.01891179507 0.0177549437811 -0.202539064554 TCL: atom 1: phi = -0.580475758505 TCL: Center of mass = 3.02009150742 0.0178480614682 -0.202529324176 TCL: atom 1: phi = -0.580896832179 TCL: Center of mass = 3.0212909732 0.0179445414882 -0.202492903407 TCL: atom 1: phi = -0.581381287257 TCL: Center of mass = 3.022500713 0.0180427153342 -0.202432662658 TCL: atom 1: phi = -0.582040300321 TCL: Center of mass = 3.02373003447 0.0180943929107 -0.202344144814 TCL: atom 1: phi = -0.582728225088 TCL: Center of mass = 3.0249704628 0.0181495524576 -0.202258962646 TCL: atom 1: phi = -0.583578895013 TCL: Center of mass = 3.02622531223 0.0181961159363 -0.202179074462 TCL: atom 1: phi = -0.584383636466 TCL: Center of mass = 3.02746455364 0.018240083397 -0.202116399518 TCL: atom 1: phi = -0.585329154918 TCL: Center of mass = 3.02868608872 0.0182717625525 -0.202048406973 TCL: atom 1: phi = -0.586149921363 TCL: Center of mass = 3.02986358799 0.0183228293025 -0.201981510743 TCL: atom 1: phi = -0.58698531821 TCL: Center of mass = 3.03102357343 0.0183723442311 -0.201912013188 TCL: atom 1: phi = -0.587686860843 TCL: Center of mass = 3.03214957533 0.0184245635008 -0.201833532799 TCL: atom 1: phi = -0.588483706275 TCL: Center of mass = 3.03328413244 0.0184564430861 -0.201741354485 TCL: atom 1: phi = -0.589244671788 TCL: Center of mass = 3.03441085647 0.0185195654048 -0.20163280286 TCL: atom 1: phi = -0.590050091817 TCL: Center of mass = 3.03554125782 0.0185914662679 -0.201515363751 TCL: atom 1: phi = -0.590829854687 TCL: Center of mass = 3.03665334596 0.0186899158674 -0.201413649539 TCL: atom 1: phi = -0.591739185586 TCL: Center of mass = 3.03777704925 0.0187917389563 -0.201319024718 TCL: atom 1: phi = -0.592639684542 TCL: Center of mass = 3.03889375787 0.0189255956757 -0.201258756245 TCL: atom 1: phi = -0.593618674821 TCL: Center of mass = 3.04001284619 0.0190679853088 -0.201207555821 TCL: atom 1: phi = -0.594533047667 TCL: Center of mass = 3.04110091034 0.019238714383 -0.201176423104 TCL: atom 1: phi = -0.595484928197 TCL: Center of mass = 3.0421843131 0.0194026330858 -0.201152275789 TCL: atom 1: phi = -0.596308834926 TCL: Center of mass = 3.0432396098 0.0195937761838 -0.201123127254 TCL: atom 1: phi = -0.597133051896 TCL: Center of mass = 3.0442896648 0.019768801241 -0.201089816315 TCL: atom 1: phi = -0.597791033017 TCL: Center of mass = 3.04533749027 0.019950816504 -0.201046555742 TCL: atom 1: phi = -0.598418326904 TCL: Center of mass = 3.0464043595 0.0201330916185 -0.200993547035 TCL: atom 1: phi = -0.598984730427 TCL: Center of mass = 3.04747397188 0.0203224231013 -0.200928630845 TCL: atom 1: phi = -0.599598205779 TCL: Center of mass = 3.0485645158 0.0204775861729 -0.200876633881 TCL: atom 1: phi = -0.600036225733 TCL: Center of mass = 3.04964896693 0.0206404245466 -0.200838353334 TCL: atom 1: phi = -0.600511692866 TCL: Center of mass = 3.05072753226 0.0207629723658 -0.200823647484 TCL: atom 1: phi = -0.60074970022 TCL: Center of mass = 3.05177333264 0.0208804549904 -0.20081864303 TCL: atom 1: phi = -0.600927915494 TCL: Center of mass = 3.05281643942 0.0209771351747 -0.200819978488 TCL: atom 1: phi = -0.600785486354 TCL: Center of mass = 3.05383310527 0.0210859661857 -0.200839670038 TCL: atom 1: phi = -0.600595460784 TCL: Center of mass = 3.05484981864 0.0211934880942 -0.200850099628 TCL: atom 1: phi = -0.600221778347 TCL: Center of mass = 3.05583752578 0.0213286089741 -0.20084573511 TCL: atom 1: phi = -0.599787380914 TCL: Center of mass = 3.05684147139 0.0214492767366 -0.200843631281 TCL: atom 1: phi = -0.599310353889 TCL: Center of mass = 3.05785236151 0.021626212528 -0.200815695949 TCL: atom 1: phi = -0.598882753365 TCL: Center of mass = 3.05888850112 0.0217953231857 -0.200760191561 TCL: atom 1: phi = -0.598439143696 TCL: Center of mass = 3.0599284765 0.0219876517954 -0.200689235575 TCL: atom 1: phi = -0.598118963678 TCL: Center of mass = 3.06097423828 0.0221662207497 -0.200621067029 TCL: atom 1: phi = -0.597736963758 TCL: Center of mass = 3.06201963258 0.0223520063431 -0.200523781335 TCL: atom 1: phi = -0.597435505139 TCL: Center of mass = 3.06306531596 0.0225205785854 -0.200422042036 TCL: atom 1: phi = -0.597042555274 TCL: Center of mass = 3.06410591083 0.0227052140032 -0.200291085208 TCL: atom 1: phi = -0.596649104663 TCL: Center of mass = 3.0651435384 0.0228829230608 -0.20016670402 TCL: atom 1: phi = -0.596204436212 TCL: Center of mass = 3.06617761282 0.0230695013973 -0.200030295055 TCL: atom 1: phi = -0.59581941544 TCL: Center of mass = 3.06721312067 0.0232556365222 -0.199888127041 TCL: atom 1: phi = -0.595430471876 TCL: Center of mass = 3.06824152357 0.0234610693563 -0.199712069191 TCL: atom 1: phi = -0.595194452951 WRITING COORDINATES TO DCD FILE AT STEP 2600 WRITING COORDINATES TO RESTART FILE AT STEP 2600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2600 FINISHED WRITING RESTART VELOCITIES TIMING: 2600 CPU: 138.769, 0.0532019/step Wall: 169.732, 0.0635816/step, 0.307311 hours remaining, 13604 kB of memory in use. ENERGY: 2600 3427.1673 2442.6879 377.6338 40.9877 -44839.2827 4131.8408 0.0000 0.0000 9514.4767 -24904.4885 282.0478 -24759.0241 -24766.2704 283.4031 341.7353 -1892.0283 125000.0000 -1501.8934 -1500.1391 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600 TCL: Center of mass = 3.06928593924 0.0236405675497 -0.199516999399 TCL: atom 1: phi = -0.594969973039 TCL: Center of mass = 3.0703409787 0.0238240822969 -0.199323024526 TCL: atom 1: phi = -0.59486004107 TCL: Center of mass = 3.07139178741 0.0239509126588 -0.199124158873 TCL: atom 1: phi = -0.594688711595 TCL: Center of mass = 3.07245130707 0.0240617903267 -0.198929222195 TCL: atom 1: phi = -0.594499612358 TCL: Center of mass = 3.07348714762 0.0241201134583 -0.19874201358 TCL: atom 1: phi = -0.594105611657 TCL: Center of mass = 3.07451864723 0.0241497830108 -0.198575562323 TCL: atom 1: phi = -0.593631086212 TCL: Center of mass = 3.07553028923 0.0241347533906 -0.198410019239 TCL: atom 1: phi = -0.592936969661 TCL: Center of mass = 3.07654482019 0.0240970609279 -0.198221837941 TCL: atom 1: phi = -0.592221947656 TCL: Center of mass = 3.07758248341 0.0240271958161 -0.198025352011 TCL: atom 1: phi = -0.591439980064 TCL: Center of mass = 3.07861839305 0.0239510516369 -0.19782254514 TCL: atom 1: phi = -0.590721439279 TCL: Center of mass = 3.07966676426 0.0238514197735 -0.19759108685 TCL: atom 1: phi = -0.589941611535 TCL: Center of mass = 3.08072416107 0.0237411721086 -0.197357139116 TCL: atom 1: phi = -0.589257543276 TCL: Center of mass = 3.08178944205 0.023609383235 -0.197093134406 TCL: atom 1: phi = -0.588449051805 TCL: Center of mass = 3.08285553184 0.0234367554018 -0.196816612087 TCL: atom 1: phi = -0.587644734236 TCL: Center of mass = 3.08393306869 0.023211774819 -0.196519333586 TCL: atom 1: phi = -0.586666009916 TCL: Center of mass = 3.08502195947 0.0229739393336 -0.196205840156 TCL: atom 1: phi = -0.58564491512 TCL: Center of mass = 3.08613994556 0.0226988298592 -0.195863206882 TCL: atom 1: phi = -0.584469180812 TCL: Center of mass = 3.0872558677 0.0224206664234 -0.195531551064 TCL: atom 1: phi = -0.583360682118 TCL: Center of mass = 3.08837906532 0.0221026257673 -0.195167877377 TCL: atom 1: phi = -0.582259779395 TCL: Center of mass = 3.08948923564 0.0217919359024 -0.194785857819 TCL: atom 1: phi = -0.581335153642 TCL: Center of mass = 3.0905961905 0.0214591259482 -0.194395099607 TCL: atom 1: phi = -0.580468322485 TCL: Center of mass = 3.09169770382 0.021123850573 -0.194001828678 TCL: atom 1: phi = -0.579809432842 TCL: Center of mass = 3.09279231529 0.0207639370542 -0.193608407274 TCL: atom 1: phi = -0.579103959429 TCL: Center of mass = 3.09386820859 0.0203890632793 -0.193200325742 TCL: atom 1: phi = -0.578401807658 TCL: Center of mass = 3.09494641543 0.0199843798102 -0.192757953078 TCL: atom 1: phi = -0.577506210465 TCL: Center of mass = 3.09601227553 0.0195783208765 -0.192328633753 TCL: atom 1: phi = -0.576516653428 TCL: Center of mass = 3.09708985399 0.0191533218811 -0.191896450657 TCL: atom 1: phi = -0.575355347658 TCL: Center of mass = 3.0981645797 0.0187283794643 -0.191493298118 TCL: atom 1: phi = -0.57414036451 TCL: Center of mass = 3.09925262144 0.0182947587471 -0.191077917896 TCL: atom 1: phi = -0.572789038256 TCL: Center of mass = 3.10034721132 0.0178690682666 -0.19067371575 TCL: atom 1: phi = -0.571511674973 TCL: Center of mass = 3.10146928384 0.0174588913349 -0.190271930885 TCL: atom 1: phi = -0.570212407484 TCL: Center of mass = 3.10259147719 0.0170755325837 -0.189864143928 TCL: atom 1: phi = -0.569002780887 TCL: Center of mass = 3.10372651334 0.016697975949 -0.189441218359 TCL: atom 1: phi = -0.567722933298 TCL: Center of mass = 3.10487265062 0.016351163117 -0.189022699256 TCL: atom 1: phi = -0.566530719668 TCL: Center of mass = 3.10603755169 0.0160107014293 -0.188578231716 TCL: atom 1: phi = -0.565153800698 TCL: Center of mass = 3.10722081569 0.0157078319301 -0.188162105908 TCL: atom 1: phi = -0.563747692092 TCL: Center of mass = 3.10841884724 0.0153847061844 -0.187741037158 TCL: atom 1: phi = -0.562174310935 TCL: Center of mass = 3.10963976896 0.0150708876947 -0.187358921803 TCL: atom 1: phi = -0.560676411811 TCL: Center of mass = 3.11088003571 0.0147322971011 -0.187018349499 TCL: atom 1: phi = -0.559130680871 TCL: Center of mass = 3.11212756576 0.014402659362 -0.186713506323 TCL: atom 1: phi = -0.557764156796 TCL: Center of mass = 3.11336953111 0.0140706003115 -0.186454055263 TCL: atom 1: phi = -0.556470362555 TCL: Center of mass = 3.11461712385 0.0137268654584 -0.186246076984 TCL: atom 1: phi = -0.555474524765 TCL: Center of mass = 3.11585943056 0.0133648439703 -0.186056087847 TCL: atom 1: phi = -0.554588170747 TCL: Center of mass = 3.11711297284 0.0130041425296 -0.185916446561 TCL: atom 1: phi = -0.55391394016 TCL: Center of mass = 3.11839573365 0.0126231155872 -0.185770844222 TCL: atom 1: phi = -0.553213815422 TCL: Center of mass = 3.11969360725 0.0122537314806 -0.18563983595 TCL: atom 1: phi = -0.55261942025 TCL: Center of mass = 3.12102245847 0.011852935942 -0.185489213709 TCL: atom 1: phi = -0.551914113358 TCL: Center of mass = 3.12234484462 0.0114528983368 -0.185343682233 TCL: atom 1: phi = -0.551281316441 TCL: Center of mass = 3.12367559717 0.0110320673554 -0.185188144775 TCL: atom 1: phi = -0.550548628079 TCL: Center of mass = 3.12501434138 0.0106221547617 -0.185060736528 TCL: atom 1: phi = -0.549991957475 TCL: Center of mass = 3.12635627878 0.010203250531 -0.184942705264 TCL: atom 1: phi = -0.549409147715 TCL: Center of mass = 3.12770316938 0.00980978641455 -0.184853353322 TCL: atom 1: phi = -0.549060467126 TCL: Center of mass = 3.12903738623 0.00940493337327 -0.184748344561 TCL: atom 1: phi = -0.548656461237 TCL: Center of mass = 3.13036200743 0.00904352377688 -0.184645760076 TCL: atom 1: phi = -0.548419464473 TCL: Center of mass = 3.13171113755 0.00867696804292 -0.184513749079 TCL: atom 1: phi = -0.548054829438 TCL: Center of mass = 3.13309651792 0.00836961790974 -0.184358943062 TCL: atom 1: phi = -0.547704404254 TCL: Center of mass = 3.13453497821 0.00807287088358 -0.184173704821 TCL: atom 1: phi = -0.547126407638 TCL: Center of mass = 3.13602572646 0.00782121028459 -0.1839653386 TCL: atom 1: phi = -0.54657418453 TCL: Center of mass = 3.13756110655 0.0075645113704 -0.183725293923 TCL: atom 1: phi = -0.545918151012 TCL: Center of mass = 3.13911773581 0.00732458883409 -0.183454506414 TCL: atom 1: phi = -0.54545845292 TCL: Center of mass = 3.14068318765 0.0070475234084 -0.183164564348 TCL: atom 1: phi = -0.54501059097 TCL: Center of mass = 3.14225402323 0.00677583895465 -0.182869915619 TCL: atom 1: phi = -0.544798841236 TCL: Center of mass = 3.14382011976 0.00647871003692 -0.182562177431 TCL: atom 1: phi = -0.544645481715 TCL: Center of mass = 3.14540252101 0.00618909838123 -0.182272479503 TCL: atom 1: phi = -0.544642730419 TCL: Center of mass = 3.14699017308 0.00586368346643 -0.181955145957 TCL: atom 1: phi = -0.544557921949 TCL: Center of mass = 3.14859841032 0.00553844462263 -0.181634621027 TCL: atom 1: phi = -0.54445867103 TCL: Center of mass = 3.15023113384 0.00519918582993 -0.181318507122 TCL: atom 1: phi = -0.544114051354 TCL: Center of mass = 3.15187533918 0.0048858018725 -0.181025169778 TCL: atom 1: phi = -0.543718797671 TCL: Center of mass = 3.15353672759 0.00456567136366 -0.180735287426 TCL: atom 1: phi = -0.543133898221 TCL: Center of mass = 3.15520090066 0.0042640427722 -0.180468758441 TCL: atom 1: phi = -0.542589395557 TCL: Center of mass = 3.15687357035 0.00394670437476 -0.180222711596 TCL: atom 1: phi = -0.542010644361 TCL: Center of mass = 3.15852980676 0.00365107711412 -0.179997546161 TCL: atom 1: phi = -0.541545789125 TCL: Center of mass = 3.16016701007 0.00335647660348 -0.179785042917 TCL: atom 1: phi = -0.540981327141 TCL: Center of mass = 3.16177949906 0.00308114859762 -0.179603533797 TCL: atom 1: phi = -0.540429061612 TCL: Center of mass = 3.16335990447 0.00280775883758 -0.179454097749 TCL: atom 1: phi = -0.539780380892 TCL: Center of mass = 3.16490965262 0.00256597605475 -0.179306326499 TCL: atom 1: phi = -0.538998955215 TCL: Center of mass = 3.16644123502 0.00236336336129 -0.17913597013 TCL: atom 1: phi = -0.537985414591 TCL: Center of mass = 3.16798013616 0.00220522160988 -0.178962283135 TCL: atom 1: phi = -0.536918773935 TCL: Center of mass = 3.16953386194 0.00205226127143 -0.178780589682 TCL: atom 1: phi = -0.535782544007 TCL: Center of mass = 3.17109561226 0.00193325460109 -0.178630394068 TCL: atom 1: phi = -0.534746332537 TCL: Center of mass = 3.17267096604 0.00181637156331 -0.178463304233 TCL: atom 1: phi = -0.533782670594 TCL: Center of mass = 3.17424577428 0.00171665791382 -0.178298581659 TCL: atom 1: phi = -0.533067795303 TCL: Center of mass = 3.1757847588 0.0015913409732 -0.178137917873 TCL: atom 1: phi = -0.53244060773 TCL: Center of mass = 3.17730548398 0.00145212075356 -0.177963837943 TCL: atom 1: phi = -0.532020863359 TCL: Center of mass = 3.17882114272 0.0012868201733 -0.177781815657 TCL: atom 1: phi = -0.531618071507 TCL: Center of mass = 3.18032664942 0.00114597112059 -0.177590049138 TCL: atom 1: phi = -0.531323514628 TCL: Center of mass = 3.18184131556 0.000979484958566 -0.177379264805 TCL: atom 1: phi = -0.530915244029 TCL: Center of mass = 3.18337554656 0.0008345787831 -0.177163161158 TCL: atom 1: phi = -0.530507938616 TCL: Center of mass = 3.18492113709 0.000683718242817 -0.176945240366 TCL: atom 1: phi = -0.530061411555 TCL: Center of mass = 3.18649866625 0.000549770509038 -0.176730895452 TCL: atom 1: phi = -0.529713506523 TCL: Center of mass = 3.1880936186 0.000406618811434 -0.176532663065 TCL: atom 1: phi = -0.529429186334 TCL: Center of mass = 3.18970557242 0.000272462052068 -0.176349469039 TCL: atom 1: phi = -0.529301728198 TCL: Center of mass = 3.1913215872 0.000120659152217 -0.176192388413 TCL: atom 1: phi = -0.529240987281 TCL: Center of mass = 3.19292633428 -3.77750038813e-05 -0.176043743925 TCL: atom 1: phi = -0.529306074579 TCL: Center of mass = 3.19453702914 -0.000240008839526 -0.175907393428 TCL: atom 1: phi = -0.529312428837 TCL: Center of mass = 3.19615073093 -0.000410829154982 -0.175761575077 TCL: atom 1: phi = -0.529291801614 TCL: Center of mass = 3.1977692452 -0.000582766531385 -0.175611492975 TCL: atom 1: phi = -0.529055092471 TCL: Center of mass = 3.19936656115 -0.000718630033379 -0.175471951613 TCL: atom 1: phi = -0.528725216051 TCL: Center of mass = 3.20094908344 -0.00086863356686 -0.175336257014 TCL: atom 1: phi = -0.52826610507 TCL: Center of mass = 3.20250683051 -0.00097269534772 -0.175211779666 TCL: atom 1: phi = -0.527826855534 WRITING COORDINATES TO DCD FILE AT STEP 2700 WRITING COORDINATES TO RESTART FILE AT STEP 2700 FINISHED WRITING RESTART COORDINATES TIMING: 2700 CPU: 144.07, 0.0530119/step Wall: 176.017, 0.0628511/step, 0.302034 hours remaining, 13604 kB of memory in use. ENERGY: 2700 3365.2978 2425.0645 370.7569 39.0189 -44852.1924 4169.9816 0.0000 0.0000 9601.9853 -24880.0874 284.6419 -24737.5829 -24733.7865 283.9517 876.2340 -1429.9045 125000.0000 -1642.4679 -1644.9947 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700 WRITING VELOCITIES TO RESTART FILE AT STEP 2700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 3.20407048953 -0.00107730061398 -0.175090385866 TCL: atom 1: phi = -0.527390792917 TCL: Center of mass = 3.20560950505 -0.0011253504825 -0.174946834712 TCL: atom 1: phi = -0.527086752461 TCL: Center of mass = 3.20710902779 -0.00117411955714 -0.174775675943 TCL: atom 1: phi = -0.526802886769 TCL: Center of mass = 3.20859331984 -0.00118002943371 -0.174589732527 TCL: atom 1: phi = -0.526624085784 TCL: Center of mass = 3.21007306473 -0.00117336882065 -0.174397970983 TCL: atom 1: phi = -0.52634545694 TCL: Center of mass = 3.21153982742 -0.00112416188784 -0.174177131265 TCL: atom 1: phi = -0.525984618165 TCL: Center of mass = 3.2129898454 -0.00107232436734 -0.173955762025 TCL: atom 1: phi = -0.525358919371 TCL: Center of mass = 3.21444160581 -0.000984558517858 -0.173707303616 TCL: atom 1: phi = -0.52449372334 TCL: Center of mass = 3.21589786344 -0.000892503267851 -0.173437780016 TCL: atom 1: phi = -0.523294793606 TCL: Center of mass = 3.21735440043 -0.000761580643721 -0.173148607667 TCL: atom 1: phi = -0.521967667791 TCL: Center of mass = 3.21881253488 -0.000622771475736 -0.172864603903 TCL: atom 1: phi = -0.520521564445 TCL: Center of mass = 3.22026844758 -0.0004474252666 -0.172588927933 TCL: atom 1: phi = -0.519050648529 TCL: Center of mass = 3.22172769186 -0.000283129371367 -0.172317170082 TCL: atom 1: phi = -0.517526048153 TCL: Center of mass = 3.22320038629 -8.00781557778e-05 -0.172039878756 TCL: atom 1: phi = -0.516075765163 TCL: Center of mass = 3.22467292695 7.72630585501e-05 -0.171756872003 TCL: atom 1: phi = -0.514586990338 TCL: Center of mass = 3.22613743064 0.00026916921752 -0.171472961996 TCL: atom 1: phi = -0.513160164845 TCL: Center of mass = 3.22759886846 0.000461680639355 -0.171206196885 TCL: atom 1: phi = -0.511579755188 TCL: Center of mass = 3.22908975213 0.000683465534121 -0.170971220447 TCL: atom 1: phi = -0.50998300338 TCL: Center of mass = 3.23058362547 0.000888339467479 -0.170770781139 TCL: atom 1: phi = -0.508308490562 TCL: Center of mass = 3.23207795596 0.00112364872376 -0.170618175802 TCL: atom 1: phi = -0.506794193875 TCL: Center of mass = 3.23355447439 0.00133462256712 -0.170474091855 TCL: atom 1: phi = -0.505313274347 TCL: Center of mass = 3.23503666056 0.00157919083711 -0.170359859245 TCL: atom 1: phi = -0.504188363303 TCL: Center of mass = 3.23651562094 0.00180234056614 -0.170243340892 TCL: atom 1: phi = -0.503267658417 TCL: Center of mass = 3.23798305265 0.00202874751521 -0.170099579948 TCL: atom 1: phi = -0.502808185946 TCL: Center of mass = 3.23944648997 0.00227015608959 -0.169932834139 TCL: atom 1: phi = -0.502589646338 TCL: Center of mass = 3.24089792391 0.002541190767 -0.16972345212 TCL: atom 1: phi = -0.502799767756 TCL: Center of mass = 3.24233806745 0.00279134553038 -0.16948899351 TCL: atom 1: phi = -0.503128165293 TCL: Center of mass = 3.24377561735 0.00305599421024 -0.169249708146 TCL: atom 1: phi = -0.503705498912 TCL: Center of mass = 3.24517953559 0.00330299999345 -0.168990595414 TCL: atom 1: phi = -0.504278433915 TCL: Center of mass = 3.24654215264 0.00355272030818 -0.168701474336 TCL: atom 1: phi = -0.505005170575 TCL: Center of mass = 3.24787821608 0.00378910934022 -0.168418428258 TCL: atom 1: phi = -0.505649916015 TCL: Center of mass = 3.24920233785 0.0040248794063 -0.168148518076 TCL: atom 1: phi = -0.506395379027 TCL: Center of mass = 3.25051132414 0.00423094598135 -0.167873327153 TCL: atom 1: phi = -0.507058495688 TCL: Center of mass = 3.251817172 0.00444028686382 -0.167578626834 TCL: atom 1: phi = -0.50780748424 TCL: Center of mass = 3.25312515496 0.00463146285041 -0.16726660715 TCL: atom 1: phi = -0.508455189005 TCL: Center of mass = 3.25441192862 0.00484269330395 -0.16695635647 TCL: atom 1: phi = -0.509062883906 TCL: Center of mass = 3.25571023123 0.00504094887198 -0.166668275081 TCL: atom 1: phi = -0.509427056684 TCL: Center of mass = 3.25702594904 0.00526286805384 -0.166399908944 TCL: atom 1: phi = -0.509613143604 TCL: Center of mass = 3.25835649514 0.00545764457315 -0.166170528579 TCL: atom 1: phi = -0.509404692445 TCL: Center of mass = 3.2596838877 0.00566914285104 -0.165988847675 TCL: atom 1: phi = -0.509015815223 TCL: Center of mass = 3.26101295666 0.00586108466043 -0.165869903379 TCL: atom 1: phi = -0.508385427976 TCL: Center of mass = 3.26234082539 0.00606526298286 -0.165835999894 TCL: atom 1: phi = -0.507729054449 TCL: Center of mass = 3.26368250575 0.00627033159659 -0.165862443559 TCL: atom 1: phi = -0.506943092806 TCL: Center of mass = 3.26502234622 0.00651347138015 -0.165931769668 TCL: atom 1: phi = -0.506162733448 TCL: Center of mass = 3.26638730709 0.00680017765872 -0.16603484877 TCL: atom 1: phi = -0.5052609145 TCL: Center of mass = 3.26774330521 0.00715633067089 -0.16615650002 TCL: atom 1: phi = -0.504383559255 TCL: Center of mass = 3.269127823 0.00755083657999 -0.166272617765 TCL: atom 1: phi = -0.503401083274 TCL: Center of mass = 3.27052019826 0.00801031137477 -0.166388133511 TCL: atom 1: phi = -0.502330935943 TCL: Center of mass = 3.2719195762 0.00849149921087 -0.166520214297 TCL: atom 1: phi = -0.501045951095 TCL: Center of mass = 3.27331396858 0.0089955704086 -0.166668984157 TCL: atom 1: phi = -0.499683095456 TCL: Center of mass = 3.27471120547 0.00949689362512 -0.166842572409 TCL: atom 1: phi = -0.498180903509 TCL: Center of mass = 3.27606740767 0.0100244685883 -0.167005345666 TCL: atom 1: phi = -0.496729446456 TCL: Center of mass = 3.27742698882 0.0105545093058 -0.167126087122 TCL: atom 1: phi = -0.495256739302 TCL: Center of mass = 3.27874828226 0.0111030298512 -0.167214807399 TCL: atom 1: phi = -0.493910322724 TCL: Center of mass = 3.280044353 0.0116577907063 -0.167260179143 TCL: atom 1: phi = -0.492584049954 TCL: Center of mass = 3.28131099682 0.0122458215606 -0.167252012971 TCL: atom 1: phi = -0.491490359863 TCL: Center of mass = 3.28256376811 0.012860401048 -0.167171458648 TCL: atom 1: phi = -0.490445598638 TCL: Center of mass = 3.28380663618 0.0134977573488 -0.16704177467 TCL: atom 1: phi = -0.489558805027 TCL: Center of mass = 3.28503738181 0.0141371310437 -0.166840125633 TCL: atom 1: phi = -0.48864597882 TCL: Center of mass = 3.28623785628 0.0147637634935 -0.166623163263 TCL: atom 1: phi = -0.487924183131 TCL: Center of mass = 3.28742570017 0.0153415334366 -0.166392369841 TCL: atom 1: phi = -0.487255670156 TCL: Center of mass = 3.28856716579 0.0159081962433 -0.166134989348 TCL: atom 1: phi = -0.486873836303 TCL: Center of mass = 3.28968560328 0.0164275675561 -0.165857433056 TCL: atom 1: phi = -0.486611727935 TCL: Center of mass = 3.29076973194 0.0169366573702 -0.165580510995 TCL: atom 1: phi = -0.486728918756 TCL: Center of mass = 3.29182632407 0.017417449353 -0.165303822143 TCL: atom 1: phi = -0.487113644671 TCL: Center of mass = 3.29288429578 0.0178945500665 -0.165045632389 TCL: atom 1: phi = -0.487878856444 TCL: Center of mass = 3.29393615045 0.0183607628472 -0.164800677525 TCL: atom 1: phi = -0.488817480517 TCL: Center of mass = 3.29500397981 0.0188243723129 -0.164617524208 TCL: atom 1: phi = -0.489999778944 TCL: Center of mass = 3.29611168817 0.0192594071606 -0.164480771508 TCL: atom 1: phi = -0.491259924694 TCL: Center of mass = 3.29725566718 0.0196898263126 -0.164410428896 TCL: atom 1: phi = -0.492737238682 TCL: Center of mass = 3.29843521655 0.0200855453797 -0.164352700873 TCL: atom 1: phi = -0.494181766437 TCL: Center of mass = 3.2996292892 0.0204827505528 -0.164335861257 TCL: atom 1: phi = -0.495700189717 TCL: Center of mass = 3.30085082757 0.0208745202344 -0.164341889222 TCL: atom 1: phi = -0.497118393225 TCL: Center of mass = 3.30209701767 0.0212880391972 -0.164364637786 TCL: atom 1: phi = -0.498540677971 TCL: Center of mass = 3.30334458986 0.0216831664317 -0.164409906209 TCL: atom 1: phi = -0.49977424865 TCL: Center of mass = 3.30459332588 0.0220770520678 -0.164485799868 TCL: atom 1: phi = -0.500935776964 TCL: Center of mass = 3.30585868512 0.022452236032 -0.164580406282 TCL: atom 1: phi = -0.501864021962 TCL: Center of mass = 3.3071191967 0.0228530809147 -0.164682762655 TCL: atom 1: phi = -0.502691629366 TCL: Center of mass = 3.30838639398 0.0232434272893 -0.164810072539 TCL: atom 1: phi = -0.503267941005 TCL: Center of mass = 3.30966872954 0.0236450924927 -0.16495504084 TCL: atom 1: phi = -0.503715342814 TCL: Center of mass = 3.31095320924 0.0240394659152 -0.16510417279 TCL: atom 1: phi = -0.503871659478 TCL: Center of mass = 3.31223773074 0.0244280891679 -0.165268814431 TCL: atom 1: phi = -0.503886780698 TCL: Center of mass = 3.31350895276 0.0248119856058 -0.165426915806 TCL: atom 1: phi = -0.503660309286 TCL: Center of mass = 3.31475680225 0.025195708455 -0.165617394235 TCL: atom 1: phi = -0.503368681366 TCL: Center of mass = 3.3159792158 0.0255709986767 -0.165806336232 TCL: atom 1: phi = -0.502932523952 TCL: Center of mass = 3.31715875389 0.0259329311546 -0.166030340236 TCL: atom 1: phi = -0.502529065572 TCL: Center of mass = 3.31830766396 0.0262947128438 -0.166282522876 TCL: atom 1: phi = -0.502070003849 TCL: Center of mass = 3.31941785854 0.0266665229397 -0.166599603063 TCL: atom 1: phi = -0.501698326263 TCL: Center of mass = 3.3205382816 0.0270242486536 -0.166953357698 TCL: atom 1: phi = -0.501248792537 TCL: Center of mass = 3.32165110439 0.0273403066434 -0.167370290196 TCL: atom 1: phi = -0.500906735029 TCL: Center of mass = 3.32278587405 0.0276212378967 -0.167834139188 TCL: atom 1: phi = -0.500505614772 TCL: Center of mass = 3.3239429883 0.0278782519843 -0.168343723027 TCL: atom 1: phi = -0.50027548954 TCL: Center of mass = 3.32513850231 0.028091036327 -0.16886875703 TCL: atom 1: phi = -0.500082519586 TCL: Center of mass = 3.32635214418 0.0282991297238 -0.169410606758 TCL: atom 1: phi = -0.500158206103 TCL: Center of mass = 3.32760954787 0.0284664707159 -0.169951149489 TCL: atom 1: phi = -0.500259172198 TCL: Center of mass = 3.32890472678 0.0286185416978 -0.170500352269 TCL: atom 1: phi = -0.500644566715 TCL: Center of mass = 3.33024493025 0.0287475158939 -0.171047655192 TCL: atom 1: phi = -0.501063532006 TCL: Center of mass = 3.33161966395 0.0288752989098 -0.171614838624 TCL: atom 1: phi = -0.501772437011 TCL: Center of mass = 3.33301762689 0.029006487601 -0.172168918701 TCL: atom 1: phi = -0.502532721571 TCL: Center of mass = 3.33441762762 0.0291682301103 -0.172720838187 TCL: atom 1: phi = -0.503598211599 WRITING COORDINATES TO DCD FILE AT STEP 2800 WRITING COORDINATES TO RESTART FILE AT STEP 2800 FINISHED WRITING RESTART COORDINATES TIMING: 2800 CPU: 149.393, 0.0532319/step Wall: 182.352, 0.0633525/step, 0.302684 hours remaining, 13604 kB of memory in use. ENERGY: 2800 3426.5303 2407.5181 381.2468 32.2104 -44906.7573 4148.0939 0.0000 0.0000 9608.3291 -24902.8288 284.8300 -24759.3046 -24758.7390 285.2331 649.2060 -1673.8911 125000.0000 -1568.5123 -1571.7049 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800 WRITING VELOCITIES TO RESTART FILE AT STEP 2800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 3.33582675289 0.0293124843484 -0.173247576198 TCL: atom 1: phi = -0.504706074603 TCL: Center of mass = 3.33722254868 0.0294808283704 -0.173748474421 TCL: atom 1: phi = -0.506171736779 TCL: Center of mass = 3.3386317802 0.0296378476523 -0.174186315031 TCL: atom 1: phi = -0.507677093129 TCL: Center of mass = 3.34001456031 0.0298095066172 -0.174590548543 TCL: atom 1: phi = -0.509449079648 TCL: Center of mass = 3.34137947665 0.0299834666078 -0.174955024924 TCL: atom 1: phi = -0.511205214321 TCL: Center of mass = 3.34270631514 0.0301775622755 -0.17530715291 TCL: atom 1: phi = -0.513173660203 TCL: Center of mass = 3.34398536225 0.0303893496215 -0.17563770987 TCL: atom 1: phi = -0.515022542994 TCL: Center of mass = 3.34521647828 0.0306328625224 -0.17596903615 TCL: atom 1: phi = -0.517022484561 TCL: Center of mass = 3.34641117263 0.0308834053761 -0.176315976523 TCL: atom 1: phi = -0.51883506133 TCL: Center of mass = 3.34757486025 0.031145076276 -0.176704915992 TCL: atom 1: phi = -0.520704412641 TCL: Center of mass = 3.34870853947 0.0314017453681 -0.177129575502 TCL: atom 1: phi = -0.522452234883 TCL: Center of mass = 3.34980772089 0.0316794612559 -0.177575275442 TCL: atom 1: phi = -0.524265004441 TCL: Center of mass = 3.35089973767 0.0319395952269 -0.178038975398 TCL: atom 1: phi = -0.525885135902 TCL: Center of mass = 3.35199682908 0.0322046775796 -0.178517445134 TCL: atom 1: phi = -0.52749443006 TCL: Center of mass = 3.35310905846 0.0324356032295 -0.179008219598 TCL: atom 1: phi = -0.528794495935 TCL: Center of mass = 3.35422298621 0.0326840627706 -0.179532213355 TCL: atom 1: phi = -0.530028402654 TCL: Center of mass = 3.35538006557 0.0329046009422 -0.180080268076 TCL: atom 1: phi = -0.530948315299 TCL: Center of mass = 3.35657012068 0.0331459662216 -0.180661697964 TCL: atom 1: phi = -0.53177166576 TCL: Center of mass = 3.35780296688 0.0333638217013 -0.181271096113 TCL: atom 1: phi = -0.532296121842 TCL: Center of mass = 3.35909153881 0.0335653309714 -0.181924183973 TCL: atom 1: phi = -0.532809616405 TCL: Center of mass = 3.36043195697 0.0337412310964 -0.182594396187 TCL: atom 1: phi = -0.533057273511 TCL: Center of mass = 3.36177686705 0.0339212864679 -0.18326698989 TCL: atom 1: phi = -0.533313621457 TCL: Center of mass = 3.36316254175 0.0340887283416 -0.183916045433 TCL: atom 1: phi = -0.533387668602 TCL: Center of mass = 3.36454840656 0.0342612965555 -0.18455475996 TCL: atom 1: phi = -0.533508135614 TCL: Center of mass = 3.36597978638 0.0344478404366 -0.185157506317 TCL: atom 1: phi = -0.533459309506 TCL: Center of mass = 3.36742340746 0.0346561170942 -0.185744039646 TCL: atom 1: phi = -0.533454503618 TCL: Center of mass = 3.36887327615 0.0348547414438 -0.186297219429 TCL: atom 1: phi = -0.533282926952 TCL: Center of mass = 3.37030351757 0.0350649185766 -0.186829800178 TCL: atom 1: phi = -0.53323956975 TCL: Center of mass = 3.37171409099 0.0352613191515 -0.187349657844 TCL: atom 1: phi = -0.533082423628 TCL: Center of mass = 3.37307906333 0.0354687829143 -0.187877074564 TCL: atom 1: phi = -0.533102470258 TCL: Center of mass = 3.37442023581 0.0356577289124 -0.188386001082 TCL: atom 1: phi = -0.533028269892 TCL: Center of mass = 3.37574056117 0.0358663052633 -0.188872583407 TCL: atom 1: phi = -0.53313378821 TCL: Center of mass = 3.37702107321 0.0360786232201 -0.189334610252 TCL: atom 1: phi = -0.533146570555 TCL: Center of mass = 3.37824200272 0.0363224003937 -0.189756002712 TCL: atom 1: phi = -0.533243495364 TCL: Center of mass = 3.3794467107 0.0365672363022 -0.190135170918 TCL: atom 1: phi = -0.533174962872 TCL: Center of mass = 3.3806404072 0.0368541858707 -0.190488189873 TCL: atom 1: phi = -0.533148365839 TCL: Center of mass = 3.38183688286 0.0371462010749 -0.190803574965 TCL: atom 1: phi = -0.532923907651 TCL: Center of mass = 3.38303184022 0.0374383736764 -0.191107658221 TCL: atom 1: phi = -0.532807229644 TCL: Center of mass = 3.38423825933 0.0377141604595 -0.191410285506 TCL: atom 1: phi = -0.532619309547 TCL: Center of mass = 3.38542891686 0.0379996943473 -0.191702934686 TCL: atom 1: phi = -0.532643423514 TCL: Center of mass = 3.38661815265 0.0382517801098 -0.191966366067 TCL: atom 1: phi = -0.532635543954 TCL: Center of mass = 3.38778869388 0.0385087200665 -0.192223331922 TCL: atom 1: phi = -0.532859053478 TCL: Center of mass = 3.38896183934 0.0387548945574 -0.192471014855 TCL: atom 1: phi = -0.533090548222 TCL: Center of mass = 3.3901409739 0.0390287059515 -0.192722332866 TCL: atom 1: phi = -0.533482113842 TCL: Center of mass = 3.39133112695 0.0393073612137 -0.192942591129 TCL: atom 1: phi = -0.533840823706 TCL: Center of mass = 3.39254757969 0.0396071546197 -0.193155828909 TCL: atom 1: phi = -0.534306813093 TCL: Center of mass = 3.39379868359 0.0399128406486 -0.193351280606 TCL: atom 1: phi = -0.53468012559 TCL: Center of mass = 3.39505429066 0.0402473342871 -0.193509709833 TCL: atom 1: phi = -0.535237981591 TCL: Center of mass = 3.39632965555 0.0405719105369 -0.19365916513 TCL: atom 1: phi = -0.535748650473 TCL: Center of mass = 3.39760390371 0.0408985482718 -0.193813175561 TCL: atom 1: phi = -0.536449859101 TCL: Center of mass = 3.39887496832 0.0411702220028 -0.19395736587 TCL: atom 1: phi = -0.537124074637 TCL: Center of mass = 3.40012424588 0.0414303465907 -0.194110146881 TCL: atom 1: phi = -0.537937384578 TCL: Center of mass = 3.4013570519 0.0416640049584 -0.194260130063 TCL: atom 1: phi = -0.538708660039 TCL: Center of mass = 3.40255191804 0.0419022293706 -0.194398828435 TCL: atom 1: phi = -0.539560489847 TCL: Center of mass = 3.40373803829 0.0421340662626 -0.194528918284 TCL: atom 1: phi = -0.54020165675 TCL: Center of mass = 3.40490257857 0.0423869253454 -0.194639558955 TCL: atom 1: phi = -0.540803954861 TCL: Center of mass = 3.40603093239 0.0426232614162 -0.194726726861 TCL: atom 1: phi = -0.541120029441 TCL: Center of mass = 3.40713747979 0.0428799795419 -0.194807788715 TCL: atom 1: phi = -0.54141500761 TCL: Center of mass = 3.40822723488 0.0431125316761 -0.194879276989 TCL: atom 1: phi = -0.541577484533 TCL: Center of mass = 3.40930936889 0.0433269715693 -0.194918885071 TCL: atom 1: phi = -0.541785427037 TCL: Center of mass = 3.41036655128 0.0435118747147 -0.194949463755 TCL: atom 1: phi = -0.541883699023 TCL: Center of mass = 3.41142484569 0.0437043686717 -0.194980192227 TCL: atom 1: phi = -0.542144677886 TCL: Center of mass = 3.41249871093 0.043855714066 -0.195010903328 TCL: atom 1: phi = -0.54238449759 TCL: Center of mass = 3.41356345857 0.0439798209823 -0.195027983081 TCL: atom 1: phi = -0.54282222991 TCL: Center of mass = 3.41465780318 0.0440739103913 -0.195043681408 TCL: atom 1: phi = -0.543074545023 TCL: Center of mass = 3.41576111106 0.0441881495655 -0.195042962074 TCL: atom 1: phi = -0.543418097092 TCL: Center of mass = 3.4168863664 0.0442978865099 -0.195041920002 TCL: atom 1: phi = -0.543643239402 TCL: Center of mass = 3.41804746708 0.0444158597227 -0.195021187695 TCL: atom 1: phi = -0.54394353249 TCL: Center of mass = 3.41921625542 0.0444975553924 -0.194969986015 TCL: atom 1: phi = -0.544166644242 TCL: Center of mass = 3.42038541996 0.0445525074109 -0.194888883035 TCL: atom 1: phi = -0.54456480017 TCL: Center of mass = 3.42158535116 0.0445745263458 -0.194764332051 TCL: atom 1: phi = -0.544959624137 TCL: Center of mass = 3.42280142397 0.0445645879312 -0.194619280731 TCL: atom 1: phi = -0.545564974334 TCL: Center of mass = 3.42402248578 0.0444974610608 -0.194477477404 TCL: atom 1: phi = -0.546206409316 TCL: Center of mass = 3.42527410362 0.0444105188711 -0.194362474921 TCL: atom 1: phi = -0.546976295474 TCL: Center of mass = 3.42652028547 0.0442899592274 -0.194238931828 TCL: atom 1: phi = -0.547586517514 TCL: Center of mass = 3.42777490876 0.0441943227202 -0.194142171667 TCL: atom 1: phi = -0.548221342362 TCL: Center of mass = 3.42904731115 0.0441098875476 -0.19404470744 TCL: atom 1: phi = -0.548634520661 TCL: Center of mass = 3.43033159584 0.0440328367704 -0.193927898587 TCL: atom 1: phi = -0.549012220109 TCL: Center of mass = 3.43163503299 0.0439644256824 -0.193804698836 TCL: atom 1: phi = -0.549198156374 TCL: Center of mass = 3.43295962668 0.0439042602778 -0.193678911357 TCL: atom 1: phi = -0.549463681689 TCL: Center of mass = 3.43430596223 0.0438280563477 -0.193528063201 TCL: atom 1: phi = -0.549639271336 TCL: Center of mass = 3.43563777625 0.0437720909994 -0.193335166109 TCL: atom 1: phi = -0.54993398143 TCL: Center of mass = 3.43695011523 0.043697970282 -0.193143428642 TCL: atom 1: phi = -0.550215892035 TCL: Center of mass = 3.43825347065 0.0436394165811 -0.192961464701 TCL: atom 1: phi = -0.55055530252 TCL: Center of mass = 3.43956853503 0.0435765886043 -0.192794933187 TCL: atom 1: phi = -0.550753796109 TCL: Center of mass = 3.44090161017 0.0435385202917 -0.192647941955 TCL: atom 1: phi = -0.550937414517 TCL: Center of mass = 3.4422359798 0.0434887641535 -0.192526424889 TCL: atom 1: phi = -0.550862085773 TCL: Center of mass = 3.44359199351 0.0434650289686 -0.192391637835 TCL: atom 1: phi = -0.550684380398 TCL: Center of mass = 3.44497508886 0.0434530350548 -0.192290058815 TCL: atom 1: phi = -0.550301379993 TCL: Center of mass = 3.44635796496 0.0434684790657 -0.192188235415 TCL: atom 1: phi = -0.549952348962 TCL: Center of mass = 3.44774706859 0.0434785236388 -0.192091958052 TCL: atom 1: phi = -0.549572250374 TCL: Center of mass = 3.44912900509 0.0435006222828 -0.191999740657 TCL: atom 1: phi = -0.549302220642 TCL: Center of mass = 3.45049937644 0.0434995355104 -0.191885217407 TCL: atom 1: phi = -0.549066957334 TCL: Center of mass = 3.45186631175 0.0434923966613 -0.191753956117 TCL: atom 1: phi = -0.54899217625 TCL: Center of mass = 3.45324866474 0.0434723101092 -0.191627524181 TCL: atom 1: phi = -0.548816810216 TCL: Center of mass = 3.45463723039 0.0434590481163 -0.19149663848 TCL: atom 1: phi = -0.548648596895 TCL: Center of mass = 3.45604600612 0.0433976707819 -0.191380851653 TCL: atom 1: phi = -0.548230842982 TCL: Center of mass = 3.45746637722 0.0433186388147 -0.191276973636 TCL: atom 1: phi = -0.547753259661 TCL: Center of mass = 3.45887286921 0.0432033979152 -0.191201138526 TCL: atom 1: phi = -0.547042649212 TCL: Center of mass = 3.46026388627 0.043084914581 -0.191148314518 TCL: atom 1: phi = -0.546353186953 WRITING COORDINATES TO DCD FILE AT STEP 2900 WRITING COORDINATES TO RESTART FILE AT STEP 2900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2900 FINISHED WRITING RESTART VELOCITIES TIMING: 2900 CPU: 154.709, 0.0531619/step Wall: 188.677, 0.063243/step, 0.300404 hours remaining, 13604 kB of memory in use. ENERGY: 2900 3349.8257 2421.0831 388.8531 39.8169 -44665.6537 3997.2504 0.0000 0.0000 9545.0253 -24923.7992 282.9534 -24779.8501 -24781.2476 283.8162 569.5054 -1955.8778 125000.0000 -1713.0913 -1711.2095 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900 TCL: Center of mass = 3.46165890771 0.0429472447956 -0.191112531063 TCL: atom 1: phi = -0.545617043687 TCL: Center of mass = 3.46305468279 0.042798855984 -0.191087402318 TCL: atom 1: phi = -0.545041019101 TCL: Center of mass = 3.4644355717 0.0426200756244 -0.191046492407 TCL: atom 1: phi = -0.544503602171 TCL: Center of mass = 3.46581264235 0.0424660447633 -0.190974865476 TCL: atom 1: phi = -0.544151671025 TCL: Center of mass = 3.46718156947 0.0422961636005 -0.1908800229 TCL: atom 1: phi = -0.543769461197 TCL: Center of mass = 3.46855414474 0.0421278423566 -0.190791906753 TCL: atom 1: phi = -0.543509576576 TCL: Center of mass = 3.46993443723 0.0419539693502 -0.190733229941 TCL: atom 1: phi = -0.543092607516 TCL: Center of mass = 3.47132216234 0.0417969560214 -0.190705585392 TCL: atom 1: phi = -0.542674232279 TCL: Center of mass = 3.47273716239 0.0416520984751 -0.190721713943 TCL: atom 1: phi = -0.542079118377 TCL: Center of mass = 3.47414854638 0.0415356906981 -0.190756249045 TCL: atom 1: phi = -0.541519940823 TCL: Center of mass = 3.47556439456 0.0414293791872 -0.19081439973 TCL: atom 1: phi = -0.540998414208 TCL: Center of mass = 3.4769817672 0.0413475969716 -0.19085648417 TCL: atom 1: phi = -0.540681806992 TCL: Center of mass = 3.47842181504 0.0412771561255 -0.190893999428 TCL: atom 1: phi = -0.54041399329 TCL: Center of mass = 3.47986458236 0.041243059656 -0.19089410881 TCL: atom 1: phi = -0.540345714966 TCL: Center of mass = 3.48130411022 0.0412394196134 -0.190870419315 TCL: atom 1: phi = -0.540254759713 TCL: Center of mass = 3.48273279525 0.04123963761 -0.190810523187 TCL: atom 1: phi = -0.540236627923 TCL: Center of mass = 3.48416450986 0.0412454310185 -0.190726539757 TCL: atom 1: phi = -0.540044914421 TCL: Center of mass = 3.48558414423 0.0412550680126 -0.190647423908 TCL: atom 1: phi = -0.539729447965 TCL: Center of mass = 3.48701486061 0.0412624438095 -0.190566635984 TCL: atom 1: phi = -0.539172063702 TCL: Center of mass = 3.48843692022 0.0412736811568 -0.19049733684 TCL: atom 1: phi = -0.538595077053 TCL: Center of mass = 3.489870089 0.0412841201582 -0.190438569046 TCL: atom 1: phi = -0.537923763848 TCL: Center of mass = 3.49128045353 0.0413162326545 -0.190411568094 TCL: atom 1: phi = -0.537439760236 TCL: Center of mass = 3.49267567754 0.0413673371733 -0.190368867497 TCL: atom 1: phi = -0.536956976891 TCL: Center of mass = 3.49404017383 0.0414412048975 -0.190326503412 TCL: atom 1: phi = -0.536734080011 TCL: Center of mass = 3.49539000177 0.0415014054998 -0.190256981572 TCL: atom 1: phi = -0.536579682348 TCL: Center of mass = 3.49669289383 0.0415495227304 -0.190165783209 TCL: atom 1: phi = -0.536526539347 TCL: Center of mass = 3.49796397324 0.0415631026565 -0.190060319333 TCL: atom 1: phi = -0.536358598783 TCL: Center of mass = 3.49920891339 0.0415567050086 -0.189959784483 TCL: atom 1: phi = -0.53619386543 TCL: Center of mass = 3.50045035946 0.0414891747392 -0.189848227221 TCL: atom 1: phi = -0.535878639121 TCL: Center of mass = 3.50165561252 0.041422903311 -0.189749643723 TCL: atom 1: phi = -0.535593419488 TCL: Center of mass = 3.50285227677 0.0413171977352 -0.189675526674 TCL: atom 1: phi = -0.535263528206 TCL: Center of mass = 3.50403721729 0.0412122406205 -0.189610338169 TCL: atom 1: phi = -0.535144447285 TCL: Center of mass = 3.50522099537 0.0411116234292 -0.189553723783 TCL: atom 1: phi = -0.53512205992 TCL: Center of mass = 3.50639815177 0.0410445206548 -0.189506963218 TCL: atom 1: phi = -0.535346481819 TCL: Center of mass = 3.50757088924 0.0409807808953 -0.189429901322 TCL: atom 1: phi = -0.535589853443 TCL: Center of mass = 3.50870994753 0.0409356145514 -0.189325425751 TCL: atom 1: phi = -0.535928819351 TCL: Center of mass = 3.50985958625 0.0408926989801 -0.189190009177 TCL: atom 1: phi = -0.536117720463 TCL: Center of mass = 3.51100056988 0.0408477856065 -0.189046730169 TCL: atom 1: phi = -0.536209764952 TCL: Center of mass = 3.51215697485 0.0407664557497 -0.18887515025 TCL: atom 1: phi = -0.535996070852 TCL: Center of mass = 3.51330560374 0.0406755753449 -0.188695277012 TCL: atom 1: phi = -0.535648076844 TCL: Center of mass = 3.51447746606 0.0405574299155 -0.188501929452 TCL: atom 1: phi = -0.535111163668 TCL: Center of mass = 3.51563512374 0.0404451939184 -0.188325452631 TCL: atom 1: phi = -0.534632042932 TCL: Center of mass = 3.5168035067 0.0403153177858 -0.188131281437 TCL: atom 1: phi = -0.534129049265 TCL: Center of mass = 3.51795271997 0.0402164916155 -0.187933289522 TCL: atom 1: phi = -0.533741812189 TCL: Center of mass = 3.51909728953 0.0401164777822 -0.187716576947 TCL: atom 1: phi = -0.533357463168 TCL: Center of mass = 3.52021396703 0.0400290883872 -0.187480567876 TCL: atom 1: phi = -0.53308245483 TCL: Center of mass = 3.52132247314 0.0399357095059 -0.187229850113 TCL: atom 1: phi = -0.5326380128 TCL: Center of mass = 3.52241429155 0.0398573037035 -0.186951250791 TCL: atom 1: phi = -0.532137909106 TCL: Center of mass = 3.52352439735 0.0397617081469 -0.186651185186 TCL: atom 1: phi = -0.531387370903 TCL: Center of mass = 3.52462425825 0.0396518848807 -0.186336000511 TCL: atom 1: phi = -0.530578653905 TCL: Center of mass = 3.52572209059 0.0395027583272 -0.186021961411 TCL: atom 1: phi = -0.52960046292 TCL: Center of mass = 3.52682301758 0.0393403935562 -0.185694052058 TCL: atom 1: phi = -0.528676713835 TCL: Center of mass = 3.52791858384 0.0391730655901 -0.185376209636 TCL: atom 1: phi = -0.527679684132 TCL: Center of mass = 3.52901310493 0.0390306972064 -0.185080866033 TCL: atom 1: phi = -0.526802534992 TCL: Center of mass = 3.53013160248 0.0389053834516 -0.184774297174 TCL: atom 1: phi = -0.525885242402 TCL: Center of mass = 3.53123878225 0.0388181207123 -0.184465769026 TCL: atom 1: phi = -0.52504100548 TCL: Center of mass = 3.53235594984 0.0387566408655 -0.184128767198 TCL: atom 1: phi = -0.52407109454 TCL: Center of mass = 3.53347099969 0.0387300098154 -0.18378188202 TCL: atom 1: phi = -0.523016431467 TCL: Center of mass = 3.53459295094 0.0386876824247 -0.183400783496 TCL: atom 1: phi = -0.521710989899 TCL: Center of mass = 3.53571961201 0.0386409410576 -0.182989703541 TCL: atom 1: phi = -0.520321542194 TCL: Center of mass = 3.53685535851 0.038561116699 -0.182560971229 TCL: atom 1: phi = -0.518793494769 TCL: Center of mass = 3.53798976656 0.0384933034976 -0.182123325895 TCL: atom 1: phi = -0.517414305323 TCL: Center of mass = 3.53912469713 0.0384243432447 -0.181680070406 TCL: atom 1: phi = -0.516066178864 TCL: Center of mass = 3.54026012604 0.0383816532889 -0.181245866352 TCL: atom 1: phi = -0.515030015213 TCL: Center of mass = 3.54138398003 0.0383210824163 -0.180817936831 TCL: atom 1: phi = -0.514163502009 TCL: Center of mass = 3.54249339079 0.0382642530772 -0.180409279535 TCL: atom 1: phi = -0.513596612193 TCL: Center of mass = 3.5435901888 0.0381966510116 -0.180005841883 TCL: atom 1: phi = -0.513077630558 TCL: Center of mass = 3.54465231837 0.0381599372383 -0.179586624054 TCL: atom 1: phi = -0.512696717852 TCL: Center of mass = 3.54570638176 0.0381264511442 -0.179153551454 TCL: atom 1: phi = -0.51219187644 TCL: Center of mass = 3.54672143253 0.0381392631388 -0.178681331952 TCL: atom 1: phi = -0.511766913099 TCL: Center of mass = 3.54771376799 0.0381418853646 -0.178174841504 TCL: atom 1: phi = -0.511238841707 TCL: Center of mass = 3.54870607845 0.0381745020544 -0.177644023572 TCL: atom 1: phi = -0.510862557746 TCL: Center of mass = 3.54968361283 0.0382119413805 -0.177085982005 TCL: atom 1: phi = -0.510545746765 TCL: Center of mass = 3.55064941302 0.0382827833982 -0.176525338704 TCL: atom 1: phi = -0.51046414052 TCL: Center of mass = 3.55163142275 0.0383648776737 -0.175978710122 TCL: atom 1: phi = -0.510506515962 TCL: Center of mass = 3.55262257023 0.0384699957598 -0.175440800084 TCL: atom 1: phi = -0.510806966226 TCL: Center of mass = 3.55362784634 0.0386038325849 -0.174929085381 TCL: atom 1: phi = -0.511066497021 TCL: Center of mass = 3.55465516369 0.0387564174287 -0.174428327757 TCL: atom 1: phi = -0.511283582878 TCL: Center of mass = 3.55571125911 0.0389107837422 -0.173921341734 TCL: atom 1: phi = -0.511214141068 TCL: Center of mass = 3.55680376258 0.0390936375656 -0.173404196886 TCL: atom 1: phi = -0.510950960061 TCL: Center of mass = 3.55790223742 0.0392792168244 -0.172883124858 TCL: atom 1: phi = -0.510331727208 TCL: Center of mass = 3.55901778571 0.0394764512454 -0.172352973295 TCL: atom 1: phi = -0.509619313251 TCL: Center of mass = 3.56013729213 0.0396823530796 -0.171810676099 TCL: atom 1: phi = -0.508726268609 TCL: Center of mass = 3.56124395997 0.0399221798815 -0.171288488653 TCL: atom 1: phi = -0.507903876462 TCL: Center of mass = 3.56233995502 0.0401440375673 -0.170794503453 TCL: atom 1: phi = -0.507010181318 TCL: Center of mass = 3.56343221511 0.0403522405685 -0.170366460674 TCL: atom 1: phi = -0.50627496865 TCL: Center of mass = 3.56451863512 0.0405433317477 -0.169983857128 TCL: atom 1: phi = -0.505478630881 TCL: Center of mass = 3.56558545661 0.0407286702334 -0.169651850702 TCL: atom 1: phi = -0.504738326323 TCL: Center of mass = 3.5666678656 0.0408987520663 -0.169332966435 TCL: atom 1: phi = -0.503813402663 TCL: Center of mass = 3.56775112251 0.0410543040972 -0.169032542849 TCL: atom 1: phi = -0.502842544177 TCL: Center of mass = 3.56884090032 0.0411861456102 -0.168734241225 TCL: atom 1: phi = -0.501751153647 TCL: Center of mass = 3.56990446051 0.0413436605628 -0.168439756469 TCL: atom 1: phi = -0.500805930022 TCL: Center of mass = 3.5709499287 0.0415079749682 -0.168148202231 TCL: atom 1: phi = -0.499888542425 TCL: Center of mass = 3.57196836559 0.0416912090105 -0.16786599787 TCL: atom 1: phi = -0.49927563151 TCL: Center of mass = 3.57295441998 0.04188676583 -0.16758697489 TCL: atom 1: phi = -0.498827908279 TCL: Center of mass = 3.57392605456 0.0421046974451 -0.167350226084 TCL: atom 1: phi = -0.498699934569 TCL: Center of mass = 3.57489459525 0.0423280810784 -0.167131547073 TCL: atom 1: phi = -0.498679001079 TCL: Center of mass = 3.5758735419 0.0425522358275 -0.166932691039 TCL: atom 1: phi = -0.49885844466 TCL: Center of mass = 3.57686189259 0.0427619447388 -0.166728889434 TCL: atom 1: phi = -0.49893338438 TCL: Center of mass = 3.57789100621 0.0429519053523 -0.166533186955 TCL: atom 1: phi = -0.499053503318 WRITING COORDINATES TO DCD FILE AT STEP 3000 WRITING COORDINATES TO RESTART FILE AT STEP 3000 FINISHED WRITING RESTART COORDINATES TIMING: 3000 CPU: 160.03, 0.0532019/step Wall: 194.956, 0.0627925/step, 0.29652 hours remaining, 13604 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3000 3361.1387 2462.1043 380.1747 37.5673 -44932.5843 4158.5295 0.0000 0.0000 9604.8287 -24928.2410 284.7262 -24784.8468 -24783.3784 284.9411 1045.0241 -1361.1590 125000.0000 -1793.5679 -1789.8356 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000 WRITING VELOCITIES TO RESTART FILE AT STEP 3000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 3.57894370205 0.0431458031798 -0.166319663731 TCL: atom 1: phi = -0.499006951899 TCL: Center of mass = 3.58003214046 0.0433499357496 -0.166107905332 TCL: atom 1: phi = -0.499035842089 TCL: Center of mass = 3.58114318033 0.0435793698121 -0.16587589308 TCL: atom 1: phi = -0.498995536531 TCL: Center of mass = 3.58227572724 0.0438426397607 -0.165643271631 TCL: atom 1: phi = -0.499182394381 TCL: Center of mass = 3.58341193696 0.0441288239435 -0.16544149182 TCL: atom 1: phi = -0.499387650989 TCL: Center of mass = 3.58453985695 0.0444156016685 -0.165265604216 TCL: atom 1: phi = -0.499807100192 TCL: Center of mass = 3.58567254177 0.0446832193344 -0.165098906145 TCL: atom 1: phi = -0.500236710608 TCL: Center of mass = 3.58683177198 0.0449199605631 -0.164969613331 TCL: atom 1: phi = -0.500800715548 TCL: Center of mass = 3.58799685938 0.0451179256467 -0.16486602023 TCL: atom 1: phi = -0.501309916308 TCL: Center of mass = 3.58918428253 0.0452655544589 -0.164823483987 TCL: atom 1: phi = -0.501822297681 TCL: Center of mass = 3.59042004577 0.0453630099156 -0.164798151992 TCL: atom 1: phi = -0.502071894752 TCL: Center of mass = 3.59168255962 0.0454382890893 -0.164800843415 TCL: atom 1: phi = -0.502274797257 TCL: Center of mass = 3.59296718772 0.0455074110916 -0.164810442309 TCL: atom 1: phi = -0.502340056522 TCL: Center of mass = 3.59425756011 0.0455757639066 -0.164838817723 TCL: atom 1: phi = -0.502543450206 TCL: Center of mass = 3.5955519062 0.0456427882407 -0.164846607956 TCL: atom 1: phi = -0.502714754914 TCL: Center of mass = 3.59685151025 0.0457378409872 -0.164838650653 TCL: atom 1: phi = -0.502973007335 TCL: Center of mass = 3.5981412063 0.0458420971874 -0.164816428169 TCL: atom 1: phi = -0.503173156569 TCL: Center of mass = 3.59944013228 0.0459475232677 -0.164780179817 TCL: atom 1: phi = -0.503376916344 TCL: Center of mass = 3.60076375734 0.046027498577 -0.164698998269 TCL: atom 1: phi = -0.503343073817 TCL: Center of mass = 3.60210234428 0.0461210822988 -0.164580950725 TCL: atom 1: phi = -0.503142966622 TCL: Center of mass = 3.60346622629 0.0461978662281 -0.164429430705 TCL: atom 1: phi = -0.502568924131 TCL: Center of mass = 3.60482869647 0.0462859663851 -0.164264094141 TCL: atom 1: phi = -0.501874003577 TCL: Center of mass = 3.60619996388 0.0463796296091 -0.164097434004 TCL: atom 1: phi = -0.500910989616 TCL: Center of mass = 3.60759961213 0.0464928996897 -0.163913670531 TCL: atom 1: phi = -0.499944665043 TCL: Center of mass = 3.60900817872 0.0466243041433 -0.163700368807 TCL: atom 1: phi = -0.49896494488 TCL: Center of mass = 3.61040491172 0.0467677731702 -0.163478785915 TCL: atom 1: phi = -0.498158743391 TCL: Center of mass = 3.61175756489 0.0469045237839 -0.163249856648 TCL: atom 1: phi = -0.497366955158 TCL: Center of mass = 3.61308149194 0.0470397244956 -0.162983102102 TCL: atom 1: phi = -0.496772037505 TCL: Center of mass = 3.61436260596 0.0471366640917 -0.162698294047 TCL: atom 1: phi = -0.49614860716 TCL: Center of mass = 3.61561717792 0.0472302507961 -0.162421458819 TCL: atom 1: phi = -0.495654969761 TCL: Center of mass = 3.61684315039 0.0472895843664 -0.16212583001 TCL: atom 1: phi = -0.49505318508 TCL: Center of mass = 3.61806333228 0.0473306050166 -0.161864118903 TCL: atom 1: phi = -0.494581587866 TCL: Center of mass = 3.61928932772 0.0473476244556 -0.161637376563 TCL: atom 1: phi = -0.494097547717 TCL: Center of mass = 3.62053169792 0.0473528462438 -0.161461327569 TCL: atom 1: phi = -0.493922223545 TCL: Center of mass = 3.62176841136 0.0473397206516 -0.161335044315 TCL: atom 1: phi = -0.493874340321 TCL: Center of mass = 3.62301038093 0.0473215997991 -0.161240133557 TCL: atom 1: phi = -0.494105686171 TCL: Center of mass = 3.62422034143 0.0472843671798 -0.161164424296 TCL: atom 1: phi = -0.494433805137 TCL: Center of mass = 3.62539254279 0.0472582982359 -0.161101748599 TCL: atom 1: phi = -0.494955644281 TCL: Center of mass = 3.6265374704 0.0472234423661 -0.161014799221 TCL: atom 1: phi = -0.495441167425 TCL: Center of mass = 3.62762148954 0.0472112709396 -0.160929919125 TCL: atom 1: phi = -0.49600076235 TCL: Center of mass = 3.6286801479 0.0472028726285 -0.160823155105 TCL: atom 1: phi = -0.496335334268 TCL: Center of mass = 3.62972693237 0.0472219868136 -0.160730121492 TCL: atom 1: phi = -0.496584820792 TCL: Center of mass = 3.63076191607 0.0472368074864 -0.16066923334 TCL: atom 1: phi = -0.496618664206 TCL: Center of mass = 3.63177918343 0.0473066412017 -0.160640947039 TCL: atom 1: phi = -0.496619024985 TCL: Center of mass = 3.63279654965 0.0474115905996 -0.160624434527 TCL: atom 1: phi = -0.496494982692 TCL: Center of mass = 3.63382430626 0.0475787301517 -0.160626403836 TCL: atom 1: phi = -0.496423148357 TCL: Center of mass = 3.63487179844 0.0477410175754 -0.160615417883 TCL: atom 1: phi = -0.496271578974 TCL: Center of mass = 3.63591870804 0.0479553290349 -0.160575251511 TCL: atom 1: phi = -0.496162679673 TCL: Center of mass = 3.63697057436 0.0482086772851 -0.160477456404 TCL: atom 1: phi = -0.495989095177 TCL: Center of mass = 3.63801907915 0.0485122030924 -0.160337050163 TCL: atom 1: phi = -0.495780888225 TCL: Center of mass = 3.63905786298 0.0488427162856 -0.160151061027 TCL: atom 1: phi = -0.495376752733 TCL: Center of mass = 3.64006764186 0.0492024711536 -0.159932280163 TCL: atom 1: phi = -0.494901346344 TCL: Center of mass = 3.64108210352 0.0495488714117 -0.159722251069 TCL: atom 1: phi = -0.494310015568 TCL: Center of mass = 3.64208003216 0.0499114952608 -0.159518000317 TCL: atom 1: phi = -0.493751235153 TCL: Center of mass = 3.64308567137 0.0502605833483 -0.159343270361 TCL: atom 1: phi = -0.493183653163 TCL: Center of mass = 3.6441020838 0.0505915829089 -0.159202325128 TCL: atom 1: phi = -0.492761379985 TCL: Center of mass = 3.64514518688 0.0508992067203 -0.159100355696 TCL: atom 1: phi = -0.492351298762 TCL: Center of mass = 3.64619956388 0.0512144559886 -0.159041380834 TCL: atom 1: phi = -0.492052968855 TCL: Center of mass = 3.64727693264 0.0515415087713 -0.158977085373 TCL: atom 1: phi = -0.491715889409 TCL: Center of mass = 3.64835116253 0.0519002732982 -0.158896901063 TCL: atom 1: phi = -0.491419790346 TCL: Center of mass = 3.64941589712 0.052241138239 -0.15879377149 TCL: atom 1: phi = -0.49092115638 TCL: Center of mass = 3.65047237647 0.0525903348343 -0.158667571664 TCL: atom 1: phi = -0.490295973524 TCL: Center of mass = 3.65150113207 0.0529384045843 -0.158555681628 TCL: atom 1: phi = -0.489452745332 TCL: Center of mass = 3.65250493649 0.0532722317011 -0.158443770551 TCL: atom 1: phi = -0.488554641601 TCL: Center of mass = 3.65350492053 0.0535696354022 -0.158358230945 TCL: atom 1: phi = -0.487570568002 TCL: Center of mass = 3.65450149863 0.053843285687 -0.158272897771 TCL: atom 1: phi = -0.486679191543 TCL: Center of mass = 3.65549991148 0.0540640960827 -0.158179892946 TCL: atom 1: phi = -0.485894624544 TCL: Center of mass = 3.65653284663 0.054264328621 -0.158082456723 TCL: atom 1: phi = -0.485349345769 TCL: Center of mass = 3.65757491931 0.0544683871842 -0.157973382295 TCL: atom 1: phi = -0.484912040081 TCL: Center of mass = 3.65863808397 0.0546932685278 -0.157826781061 TCL: atom 1: phi = -0.484674253518 TCL: Center of mass = 3.65971383467 0.0549091510038 -0.157632831205 TCL: atom 1: phi = -0.484467359096 TCL: Center of mass = 3.66075813865 0.0551698862981 -0.157395097736 TCL: atom 1: phi = -0.484426313038 TCL: Center of mass = 3.66178020961 0.0554515030073 -0.15710495241 TCL: atom 1: phi = -0.484418094968 TCL: Center of mass = 3.66278298095 0.0557759981697 -0.156782492647 TCL: atom 1: phi = -0.484487532898 TCL: Center of mass = 3.66377002064 0.0561041544451 -0.156447446229 TCL: atom 1: phi = -0.484609367722 TCL: Center of mass = 3.66478568828 0.0564506254094 -0.156114830192 TCL: atom 1: phi = -0.484919534113 TCL: Center of mass = 3.66582317038 0.0567903293255 -0.155799428445 TCL: atom 1: phi = -0.485234384056 TCL: Center of mass = 3.66693045475 0.0571542633161 -0.155497612378 TCL: atom 1: phi = -0.485707603782 TCL: Center of mass = 3.66807525088 0.0575050331697 -0.155227702815 TCL: atom 1: phi = -0.486135278538 TCL: Center of mass = 3.66925682523 0.0578880377565 -0.154967326369 TCL: atom 1: phi = -0.486639870916 TCL: Center of mass = 3.67046082238 0.0582965391349 -0.154705826075 TCL: atom 1: phi = -0.486992127174 TCL: Center of mass = 3.6716820591 0.0587463513667 -0.154451334869 TCL: atom 1: phi = -0.487213293107 TCL: Center of mass = 3.67292874542 0.0592207858685 -0.154208927675 TCL: atom 1: phi = -0.48718584636 TCL: Center of mass = 3.67418253825 0.0597177928042 -0.153971849576 TCL: atom 1: phi = -0.487029748321 TCL: Center of mass = 3.67544646327 0.0602175356487 -0.153723920274 TCL: atom 1: phi = -0.486623686784 TCL: Center of mass = 3.6767385166 0.0607294294262 -0.15348013235 TCL: atom 1: phi = -0.48616490823 TCL: Center of mass = 3.67804083082 0.0612433666272 -0.153255186843 TCL: atom 1: phi = -0.485584388302 TCL: Center of mass = 3.67935587738 0.0617496112442 -0.153064977164 TCL: atom 1: phi = -0.485063987042 TCL: Center of mass = 3.68071716084 0.0622394724594 -0.152901150358 TCL: atom 1: phi = -0.484455942834 TCL: Center of mass = 3.68211783775 0.0627086373832 -0.152768954561 TCL: atom 1: phi = -0.483996838874 TCL: Center of mass = 3.6835744292 0.0631531188868 -0.152668556787 TCL: atom 1: phi = -0.483508318418 TCL: Center of mass = 3.68505115778 0.0636121485794 -0.152589819799 TCL: atom 1: phi = -0.483163948798 TCL: Center of mass = 3.68653467639 0.0640639854966 -0.152519415733 TCL: atom 1: phi = -0.482762261646 TCL: Center of mass = 3.68799073563 0.0644936442784 -0.152430957861 TCL: atom 1: phi = -0.482483588912 TCL: Center of mass = 3.68942029357 0.0648915148274 -0.152349692265 TCL: atom 1: phi = -0.482187204575 TCL: Center of mass = 3.69083613517 0.065260474713 -0.152267620277 TCL: atom 1: phi = -0.482044884027 TCL: Center of mass = 3.69225380008 0.0655967846315 -0.152176815675 TCL: atom 1: phi = -0.481929328215 TCL: Center of mass = 3.6936749443 0.0658947754385 -0.15209323374 TCL: atom 1: phi = -0.482038443313 TCL: Center of mass = 3.69511737771 0.0661413932891 -0.15202450877 TCL: atom 1: phi = -0.48223672818 TCL: Center of mass = 3.69659369669 0.0664030962729 -0.151975326014 TCL: atom 1: phi = -0.482604255283 WRITING COORDINATES TO DCD FILE AT STEP 3100 WRITING COORDINATES TO RESTART FILE AT STEP 3100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100 FINISHED WRITING RESTART VELOCITIES TIMING: 3100 CPU: 165.352, 0.0532219/step Wall: 201.31, 0.0635427/step, 0.298298 hours remaining, 13604 kB of memory in use. ENERGY: 3100 3406.3987 2376.3436 380.7779 35.3441 -45071.9405 4291.6916 0.0000 0.0000 9665.6751 -24915.7094 286.5299 -24769.7228 -24776.2482 286.6546 760.5721 -1597.1246 125000.0000 -1481.3163 -1483.0382 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100 TCL: Center of mass = 3.6980779441 0.0666550371537 -0.151942652961 TCL: atom 1: phi = -0.482989440133 TCL: Center of mass = 3.69958299181 0.0669045317251 -0.1519318159 TCL: atom 1: phi = -0.483446985435 TCL: Center of mass = 3.70111768167 0.0671373575603 -0.151938470291 TCL: atom 1: phi = -0.48382143338 TCL: Center of mass = 3.70267428413 0.0673924027705 -0.151945253868 TCL: atom 1: phi = -0.484132719067 TCL: Center of mass = 3.70424893214 0.067658718365 -0.151939564546 TCL: atom 1: phi = -0.484250458455 TCL: Center of mass = 3.70583450738 0.067953241019 -0.151908842114 TCL: atom 1: phi = -0.484369369163 TCL: Center of mass = 3.70740257578 0.068263963646 -0.151839126225 TCL: atom 1: phi = -0.484373206091 TCL: Center of mass = 3.70898171922 0.0685906130173 -0.151730762423 TCL: atom 1: phi = -0.484487044505 TCL: Center of mass = 3.71056289915 0.0689094836995 -0.151600243325 TCL: atom 1: phi = -0.484628656221 TCL: Center of mass = 3.71216149672 0.0692530666371 -0.151470898611 TCL: atom 1: phi = -0.484949671245 TCL: Center of mass = 3.7137822349 0.0695845596395 -0.151349732369 TCL: atom 1: phi = -0.485343994454 TCL: Center of mass = 3.71541590212 0.0698963475302 -0.151246544276 TCL: atom 1: phi = -0.485895272009 TCL: Center of mass = 3.71705630134 0.0702163943167 -0.151174734039 TCL: atom 1: phi = -0.486532605022 TCL: Center of mass = 3.71869455828 0.0705614799897 -0.15112304255 TCL: atom 1: phi = -0.487376715284 TCL: Center of mass = 3.72033117857 0.0709137488952 -0.151088225012 TCL: atom 1: phi = -0.488281672869 TCL: Center of mass = 3.72194556917 0.0712929315975 -0.151039958567 TCL: atom 1: phi = -0.489357291815 TCL: Center of mass = 3.72354548238 0.071663582489 -0.150980371421 TCL: atom 1: phi = -0.490470882402 TCL: Center of mass = 3.72512082493 0.0720306900198 -0.150915030907 TCL: atom 1: phi = -0.491737517282 TCL: Center of mass = 3.72667218304 0.0723917932903 -0.150846225817 TCL: atom 1: phi = -0.493054421076 TCL: Center of mass = 3.72822593504 0.0727420605579 -0.15075777807 TCL: atom 1: phi = -0.494467182794 TCL: Center of mass = 3.72981825621 0.0731059254216 -0.150698030895 TCL: atom 1: phi = -0.495911075603 TCL: Center of mass = 3.73142737283 0.0734759253357 -0.150677199905 TCL: atom 1: phi = -0.497347026457 TCL: Center of mass = 3.73304477478 0.0738249458299 -0.150713976898 TCL: atom 1: phi = -0.498642539772 TCL: Center of mass = 3.73467394313 0.0741581985745 -0.150790644558 TCL: atom 1: phi = -0.499882249666 TCL: Center of mass = 3.73630066364 0.0744720244796 -0.150890127664 TCL: atom 1: phi = -0.500918921359 TCL: Center of mass = 3.73790893619 0.0748017876546 -0.150993934075 TCL: atom 1: phi = -0.501894005413 TCL: Center of mass = 3.73951080142 0.0751446963876 -0.151065916336 TCL: atom 1: phi = -0.502646601103 TCL: Center of mass = 3.74107986126 0.0754964344831 -0.151108260462 TCL: atom 1: phi = -0.503286291678 TCL: Center of mass = 3.74264556888 0.0758737156823 -0.15110479746 TCL: atom 1: phi = -0.503752114297 TCL: Center of mass = 3.74418779076 0.0762998935931 -0.151051597336 TCL: atom 1: phi = -0.50423045043 TCL: Center of mass = 3.74573443281 0.0767403034167 -0.150971584594 TCL: atom 1: phi = -0.504594139922 TCL: Center of mass = 3.74728448232 0.0771932505251 -0.150880046439 TCL: atom 1: phi = -0.504949468538 TCL: Center of mass = 3.74885396712 0.0776485069507 -0.15080640576 TCL: atom 1: phi = -0.505228420528 TCL: Center of mass = 3.75043350367 0.0780751237594 -0.150764877833 TCL: atom 1: phi = -0.505529433727 TCL: Center of mass = 3.75203308809 0.0784656961591 -0.150747658507 TCL: atom 1: phi = -0.505785662077 TCL: Center of mass = 3.75365330817 0.0788513496455 -0.150727505783 TCL: atom 1: phi = -0.506065305197 TCL: Center of mass = 3.75530247979 0.0792456331908 -0.150710408379 TCL: atom 1: phi = -0.506268048695 TCL: Center of mass = 3.75698329563 0.0796526192522 -0.150693194777 TCL: atom 1: phi = -0.506460869118 TCL: Center of mass = 3.75867226042 0.0800598296687 -0.150656488585 TCL: atom 1: phi = -0.506578142946 TCL: Center of mass = 3.76035674782 0.0804799735672 -0.150610756114 TCL: atom 1: phi = -0.506797204161 TCL: Center of mass = 3.76205040992 0.0808950475273 -0.150552670565 TCL: atom 1: phi = -0.50695740935 TCL: Center of mass = 3.76374454729 0.0813138398495 -0.150491111797 TCL: atom 1: phi = -0.507155627936 TCL: Center of mass = 3.765460847 0.0817005111676 -0.150454455595 TCL: atom 1: phi = -0.507331253363 TCL: Center of mass = 3.76719225921 0.0820584062414 -0.150467030615 TCL: atom 1: phi = -0.507482181959 TCL: Center of mass = 3.7689645838 0.0823583256785 -0.150533028584 TCL: atom 1: phi = -0.507500968098 TCL: Center of mass = 3.77076058433 0.0826321252129 -0.150646017174 TCL: atom 1: phi = -0.507474919362 TCL: Center of mass = 3.77259092781 0.0828704964153 -0.150794413612 TCL: atom 1: phi = -0.507291613185 TCL: Center of mass = 3.77442278768 0.083102520818 -0.150965116855 TCL: atom 1: phi = -0.507041791349 TCL: Center of mass = 3.77624286227 0.0833231852637 -0.151123159961 TCL: atom 1: phi = -0.506643903137 TCL: Center of mass = 3.77802550923 0.0836069496851 -0.151261304081 TCL: atom 1: phi = -0.50623475933 TCL: Center of mass = 3.77977509368 0.0839456103469 -0.151376549547 TCL: atom 1: phi = -0.505709478687 TCL: Center of mass = 3.78146072411 0.084338755648 -0.151466030762 TCL: atom 1: phi = -0.505206067813 TCL: Center of mass = 3.78310120736 0.0847673456504 -0.151524579249 TCL: atom 1: phi = -0.504705410407 TCL: Center of mass = 3.78470058484 0.0852450335343 -0.151572061043 TCL: atom 1: phi = -0.504268201739 TCL: Center of mass = 3.78629226103 0.0857144251758 -0.151615195376 TCL: atom 1: phi = -0.503760588408 TCL: Center of mass = 3.7878853695 0.086228177297 -0.151646099628 TCL: atom 1: phi = -0.503198092953 TCL: Center of mass = 3.78948841983 0.0867532609681 -0.151660380788 TCL: atom 1: phi = -0.502519123873 TCL: Center of mass = 3.79109036179 0.0873226843693 -0.151689704007 TCL: atom 1: phi = -0.501847637302 TCL: Center of mass = 3.79271230962 0.0879124689201 -0.151727664213 TCL: atom 1: phi = -0.501021026537 TCL: Center of mass = 3.79433543134 0.0885753462624 -0.151767520763 TCL: atom 1: phi = -0.500270346617 TCL: Center of mass = 3.79593253551 0.0892821814587 -0.151775107476 TCL: atom 1: phi = -0.499535498458 TCL: Center of mass = 3.7975092125 0.0900578231342 -0.151770946038 TCL: atom 1: phi = -0.498924656555 TCL: Center of mass = 3.79906712501 0.0908559420352 -0.151733792196 TCL: atom 1: phi = -0.498314221053 TCL: Center of mass = 3.80061430053 0.0916771348802 -0.151709403693 TCL: atom 1: phi = -0.497842241111 TCL: Center of mass = 3.80217182263 0.0924631246681 -0.151699058524 TCL: atom 1: phi = -0.497366928424 TCL: Center of mass = 3.80376843674 0.0932282578332 -0.151730671399 TCL: atom 1: phi = -0.496996551921 TCL: Center of mass = 3.80540110009 0.0939378682459 -0.151781287458 TCL: atom 1: phi = -0.496492139373 TCL: Center of mass = 3.80709536792 0.0946190192922 -0.151897096901 TCL: atom 1: phi = -0.496067689628 TCL: Center of mass = 3.80882141567 0.0952633031581 -0.152058629699 TCL: atom 1: phi = -0.495557715063 TCL: Center of mass = 3.81059639362 0.095897883871 -0.152277115666 TCL: atom 1: phi = -0.495093363784 TCL: Center of mass = 3.81239911973 0.096491453645 -0.152505116001 TCL: atom 1: phi = -0.494606362111 TCL: Center of mass = 3.81420255269 0.0970838151042 -0.152769457378 TCL: atom 1: phi = -0.494275704533 TCL: Center of mass = 3.81597305217 0.0976484573682 -0.153048829965 TCL: atom 1: phi = -0.493949418325 TCL: Center of mass = 3.81771926402 0.0982116252741 -0.153332131005 TCL: atom 1: phi = -0.49376981307 TCL: Center of mass = 3.8194432433 0.0987525656228 -0.153581098047 TCL: atom 1: phi = -0.493515216997 TCL: Center of mass = 3.8211760092 0.0992881735604 -0.153816615765 TCL: atom 1: phi = -0.493287663613 TCL: Center of mass = 3.8229269266 0.0998020226122 -0.154045302997 TCL: atom 1: phi = -0.492884425202 TCL: Center of mass = 3.82471163739 0.100311514305 -0.15426438113 TCL: atom 1: phi = -0.492433267667 TCL: Center of mass = 3.82652827639 0.100788850526 -0.154481890537 TCL: atom 1: phi = -0.491770634163 TCL: Center of mass = 3.82836460087 0.101270777503 -0.154691937935 TCL: atom 1: phi = -0.491109572363 TCL: Center of mass = 3.83021703916 0.101751682639 -0.15490863747 TCL: atom 1: phi = -0.490304273234 TCL: Center of mass = 3.83205924813 0.102254123183 -0.155112629497 TCL: atom 1: phi = -0.489621616549 TCL: Center of mass = 3.83389010149 0.102764170144 -0.155312684863 TCL: atom 1: phi = -0.488938410911 TCL: Center of mass = 3.83568344426 0.10329929207 -0.155472457913 TCL: atom 1: phi = -0.488351966738 TCL: Center of mass = 3.8374349779 0.103832795342 -0.155606477334 TCL: atom 1: phi = -0.487745475085 TCL: Center of mass = 3.83914119329 0.104392884435 -0.155739403536 TCL: atom 1: phi = -0.48718915221 TCL: Center of mass = 3.84084375758 0.104957628518 -0.155860470294 TCL: atom 1: phi = -0.486520872485 TCL: Center of mass = 3.84252466494 0.105533820495 -0.1559871789 TCL: atom 1: phi = -0.485855902317 TCL: Center of mass = 3.8442088624 0.10609434586 -0.156117249769 TCL: atom 1: phi = -0.485076082262 TCL: Center of mass = 3.8458969208 0.106643029274 -0.156313159147 TCL: atom 1: phi = -0.48433825118 TCL: Center of mass = 3.84762401319 0.107179468254 -0.156548309486 TCL: atom 1: phi = -0.483593984807 TCL: Center of mass = 3.84934166907 0.107715825673 -0.156820397259 TCL: atom 1: phi = -0.482983834547 TCL: Center of mass = 3.85108639993 0.108260770073 -0.157103696659 TCL: atom 1: phi = -0.482417378809 TCL: Center of mass = 3.85283544245 0.108820457777 -0.15738762185 TCL: atom 1: phi = -0.481995054085 TCL: Center of mass = 3.85459999828 0.109410431349 -0.157651499838 TCL: atom 1: phi = -0.481659173534 TCL: Center of mass = 3.85635416648 0.110018732009 -0.157901262758 TCL: atom 1: phi = -0.481422498507 TCL: Center of mass = 3.85809020328 0.110621246219 -0.158117643295 TCL: atom 1: phi = -0.481090202926 TCL: Center of mass = 3.85981935307 0.111241888509 -0.158316438433 TCL: atom 1: phi = -0.480723844812 TCL: Center of mass = 3.86154460827 0.111849799424 -0.158496171475 TCL: atom 1: phi = -0.480211364272 TCL: Center of mass = 3.86328390029 0.112444048739 -0.158674853286 TCL: atom 1: phi = -0.47969969086 WRITING COORDINATES TO DCD FILE AT STEP 3200 WRITING COORDINATES TO RESTART FILE AT STEP 3200 FINISHED WRITING RESTART COORDINATES TIMING: 3200 CPU: 170.677, 0.0532519/step Wall: 207.64, 0.0633006/step, 0.295403 hours remaining, 13604 kB of memory in use. ENERGY: 3200 3354.3929 2385.4589 388.8517 40.2748 -44966.7129 4190.1581 0.0000 0.0000 9701.2043 -24906.3722 287.5832 -24763.0683 -24758.6537 286.5726 1022.0028 -1609.3586 125000.0000 -1443.2494 -1444.8690 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200 WRITING VELOCITIES TO RESTART FILE AT STEP 3200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 3.86503961143 0.113026808371 -0.158859209751 TCL: atom 1: phi = -0.479086634942 TCL: Center of mass = 3.86680660476 0.11361648438 -0.159059286671 TCL: atom 1: phi = -0.478485279343 TCL: Center of mass = 3.86858750514 0.114167554218 -0.159282143603 TCL: atom 1: phi = -0.477862096719 TCL: Center of mass = 3.87034539041 0.114698804345 -0.159488259171 TCL: atom 1: phi = -0.477368370775 TCL: Center of mass = 3.87209583973 0.115202835404 -0.159660591696 TCL: atom 1: phi = -0.476846151673 TCL: Center of mass = 3.87381953955 0.115694066861 -0.159803804547 TCL: atom 1: phi = -0.476448756314 TCL: Center of mass = 3.87551968415 0.116173547406 -0.15989536878 TCL: atom 1: phi = -0.475882815505 TCL: Center of mass = 3.87719808979 0.11667398334 -0.159954201483 TCL: atom 1: phi = -0.475250889474 TCL: Center of mass = 3.87885828216 0.117182685674 -0.159965907014 TCL: atom 1: phi = -0.474317356752 TCL: Center of mass = 3.88049929609 0.117733940424 -0.159956475972 TCL: atom 1: phi = -0.4732400431 TCL: Center of mass = 3.88213717663 0.118279381815 -0.159933052731 TCL: atom 1: phi = -0.471858671919 TCL: Center of mass = 3.88376291945 0.118830317778 -0.159926458254 TCL: atom 1: phi = -0.470446046118 TCL: Center of mass = 3.88540534241 0.119349789597 -0.159935797145 TCL: atom 1: phi = -0.468894982813 TCL: Center of mass = 3.88705188514 0.119850186652 -0.15998225309 TCL: atom 1: phi = -0.467422036329 TCL: Center of mass = 3.88871167114 0.120322782224 -0.160037007505 TCL: atom 1: phi = -0.465901347633 TCL: Center of mass = 3.89033728686 0.120807637433 -0.160114267785 TCL: atom 1: phi = -0.464483606611 TCL: Center of mass = 3.89197244001 0.121296612459 -0.160159596293 TCL: atom 1: phi = -0.462867115634 TCL: Center of mass = 3.89360981668 0.121794194069 -0.160187087024 TCL: atom 1: phi = -0.461220261731 TCL: Center of mass = 3.89524325771 0.122308987762 -0.160157553402 TCL: atom 1: phi = -0.459357937248 TCL: Center of mass = 3.89683961186 0.122831384835 -0.160113623533 TCL: atom 1: phi = -0.457455118014 TCL: Center of mass = 3.89842804489 0.123354499926 -0.160052581011 TCL: atom 1: phi = -0.455378359473 TCL: Center of mass = 3.900015992 0.123869546276 -0.160022331313 TCL: atom 1: phi = -0.453435004155 TCL: Center of mass = 3.90163491776 0.12438310376 -0.160012639179 TCL: atom 1: phi = -0.451508791467 TCL: Center of mass = 3.90326850878 0.124848582051 -0.160057722818 TCL: atom 1: phi = -0.449945897696 TCL: Center of mass = 3.90495126187 0.125274114875 -0.160151515087 TCL: atom 1: phi = -0.448565807693 TCL: Center of mass = 3.90666045771 0.125646857759 -0.160272664839 TCL: atom 1: phi = -0.447601222261 TCL: Center of mass = 3.90838544417 0.125983026181 -0.16037696456 TCL: atom 1: phi = -0.446742237188 TCL: Center of mass = 3.91007196956 0.126315436495 -0.160481831975 TCL: atom 1: phi = -0.446165683048 TCL: Center of mass = 3.91173625379 0.126634752163 -0.160551342312 TCL: atom 1: phi = -0.445515200826 TCL: Center of mass = 3.91335406333 0.12696665125 -0.160614488516 TCL: atom 1: phi = -0.445048289554 TCL: Center of mass = 3.91492958205 0.127293834322 -0.160649314125 TCL: atom 1: phi = -0.444492193374 TCL: Center of mass = 3.916438191 0.127607288068 -0.160675710972 TCL: atom 1: phi = -0.444175565251 TCL: Center of mass = 3.917930457 0.127911827598 -0.16069702774 TCL: atom 1: phi = -0.443880004013 TCL: Center of mass = 3.91938207312 0.128214604183 -0.160766922315 TCL: atom 1: phi = -0.443958944905 TCL: Center of mass = 3.92085520559 0.128468121266 -0.160874672614 TCL: atom 1: phi = -0.444066531234 TCL: Center of mass = 3.92233409962 0.128688456676 -0.161033762302 TCL: atom 1: phi = -0.444513105337 TCL: Center of mass = 3.92384136043 0.128878245178 -0.1612118507 TCL: atom 1: phi = -0.444926560931 TCL: Center of mass = 3.92534620181 0.129064491455 -0.161424774727 TCL: atom 1: phi = -0.445480169901 TCL: Center of mass = 3.92685956633 0.129260284071 -0.16160622714 TCL: atom 1: phi = -0.445828713645 TCL: Center of mass = 3.92837710415 0.129482800445 -0.161774706619 TCL: atom 1: phi = -0.446099449585 TCL: Center of mass = 3.92987054538 0.129735455034 -0.161906237235 TCL: atom 1: phi = -0.446057588251 TCL: Center of mass = 3.93131772715 0.130019075965 -0.162012042726 TCL: atom 1: phi = -0.445982584658 TCL: Center of mass = 3.93275506467 0.130325689537 -0.162104255361 TCL: atom 1: phi = -0.445715477787 TCL: Center of mass = 3.93417555537 0.130642287738 -0.162206118641 TCL: atom 1: phi = -0.445615708381 TCL: Center of mass = 3.93560880238 0.130955372126 -0.162313778095 TCL: atom 1: phi = -0.445475161832 TCL: Center of mass = 3.9370543907 0.131265384703 -0.162444482683 TCL: atom 1: phi = -0.445579864499 TCL: Center of mass = 3.93853379916 0.131548051608 -0.162593954807 TCL: atom 1: phi = -0.445609137962 TCL: Center of mass = 3.94004193846 0.131826624814 -0.162754781887 TCL: atom 1: phi = -0.445766359796 TCL: Center of mass = 3.94158870181 0.132065041033 -0.162899757694 TCL: atom 1: phi = -0.445667021095 TCL: Center of mass = 3.94314460133 0.132300069653 -0.163039286796 TCL: atom 1: phi = -0.445605018557 TCL: Center of mass = 3.94468338659 0.132526719612 -0.163163620603 TCL: atom 1: phi = -0.445267286221 TCL: Center of mass = 3.9461854465 0.132758962629 -0.163248915642 TCL: atom 1: phi = -0.44505990823 TCL: Center of mass = 3.94766503064 0.132978498476 -0.163319347896 TCL: atom 1: phi = -0.444727527997 TCL: Center of mass = 3.94911111293 0.133200265116 -0.163392341352 TCL: atom 1: phi = -0.444578248946 TCL: Center of mass = 3.95057277793 0.133416834326 -0.163462063524 TCL: atom 1: phi = -0.444436362653 TCL: Center of mass = 3.95206190685 0.133615380841 -0.163537995519 TCL: atom 1: phi = -0.444645832417 TCL: Center of mass = 3.95360950981 0.133790322267 -0.163652046684 TCL: atom 1: phi = -0.444766865058 TCL: Center of mass = 3.95519656981 0.133943371531 -0.163797319127 TCL: atom 1: phi = -0.44515549344 TCL: Center of mass = 3.95685435632 0.134074296478 -0.163963938241 TCL: atom 1: phi = -0.445375151699 TCL: Center of mass = 3.95854981539 0.134191572881 -0.164171921443 TCL: atom 1: phi = -0.4457268271 TCL: Center of mass = 3.96029095432 0.134285685283 -0.164387839985 TCL: atom 1: phi = -0.445958131218 TCL: Center of mass = 3.96203352695 0.134349734571 -0.164566282416 TCL: atom 1: phi = -0.44643003529 TCL: Center of mass = 3.96378808754 0.134419162736 -0.164700245605 TCL: atom 1: phi = -0.446873791062 TCL: Center of mass = 3.96552906767 0.134497831324 -0.164779226457 TCL: atom 1: phi = -0.447668338965 TCL: Center of mass = 3.96726100755 0.134568439359 -0.164807614854 TCL: atom 1: phi = -0.448615509539 TCL: Center of mass = 3.96898124598 0.134650934286 -0.164791948173 TCL: atom 1: phi = -0.450023609125 TCL: Center of mass = 3.97071100299 0.134726842947 -0.164749691982 TCL: atom 1: phi = -0.451567549841 TCL: Center of mass = 3.97243980251 0.134798706938 -0.164709615087 TCL: atom 1: phi = -0.453391339874 TCL: Center of mass = 3.97420748877 0.134843338509 -0.164664903118 TCL: atom 1: phi = -0.455182981596 TCL: Center of mass = 3.97597695423 0.134875451343 -0.164639939501 TCL: atom 1: phi = -0.45715618333 TCL: Center of mass = 3.9777788191 0.134886603036 -0.164613713374 TCL: atom 1: phi = -0.45905438768 TCL: Center of mass = 3.97958538525 0.134902806844 -0.164577586353 TCL: atom 1: phi = -0.460986258565 TCL: Center of mass = 3.98138191195 0.134898436287 -0.16452021264 TCL: atom 1: phi = -0.462833740579 TCL: Center of mass = 3.98312752831 0.134882982216 -0.164463930166 TCL: atom 1: phi = -0.464852849263 TCL: Center of mass = 3.98482378824 0.134852700583 -0.164384341471 TCL: atom 1: phi = -0.466888079736 TCL: Center of mass = 3.98646563169 0.134825928464 -0.164303859487 TCL: atom 1: phi = -0.469014839463 TCL: Center of mass = 3.98808117932 0.134810776171 -0.164233073632 TCL: atom 1: phi = -0.471030598283 TCL: Center of mass = 3.98965611244 0.134797032869 -0.16418755357 TCL: atom 1: phi = -0.472941585591 TCL: Center of mass = 3.99122148832 0.134762245143 -0.164187719566 TCL: atom 1: phi = -0.474560987459 TCL: Center of mass = 3.99277992346 0.134727873394 -0.164259030561 TCL: atom 1: phi = -0.47586464952 TCL: Center of mass = 3.9943745043 0.134653427043 -0.164392226148 TCL: atom 1: phi = -0.476736177686 TCL: Center of mass = 3.99598665352 0.134564791138 -0.164553900028 TCL: atom 1: phi = -0.477262638679 TCL: Center of mass = 3.99761827544 0.134449363354 -0.164730613708 TCL: atom 1: phi = -0.477408933733 TCL: Center of mass = 3.9992330616 0.134313407975 -0.164928719899 TCL: atom 1: phi = -0.477424712418 TCL: Center of mass = 4.00084702958 0.134181110245 -0.165110564116 TCL: atom 1: phi = -0.477300313249 TCL: Center of mass = 4.00240205384 0.134068424733 -0.165284777417 TCL: atom 1: phi = -0.477270053628 TCL: Center of mass = 4.00392001501 0.133948775073 -0.165431258282 TCL: atom 1: phi = -0.477164006568 TCL: Center of mass = 4.00538558773 0.13385743931 -0.165569328676 TCL: atom 1: phi = -0.477096224125 TCL: Center of mass = 4.00683665435 0.133760957721 -0.165683871704 TCL: atom 1: phi = -0.476944321119 TCL: Center of mass = 4.00821690145 0.133681317912 -0.165800950242 TCL: atom 1: phi = -0.476783204602 TCL: Center of mass = 4.00960821024 0.133586962671 -0.165916981882 TCL: atom 1: phi = -0.476526611425 TCL: Center of mass = 4.01099732204 0.133496567199 -0.166041746397 TCL: atom 1: phi = -0.476271532864 TCL: Center of mass = 4.01240889956 0.133371932986 -0.166179340572 TCL: atom 1: phi = -0.475965720144 TCL: Center of mass = 4.01379634731 0.133221202361 -0.166340383183 TCL: atom 1: phi = -0.475821293943 TCL: Center of mass = 4.01519992368 0.133047162968 -0.166485709829 TCL: atom 1: phi = -0.47578609568 TCL: Center of mass = 4.01654158596 0.132889209915 -0.166637909039 TCL: atom 1: phi = -0.476009347413 TCL: Center of mass = 4.01786964658 0.132744997724 -0.166774957813 TCL: atom 1: phi = -0.476366060188 TCL: Center of mass = 4.01913562657 0.132633096674 -0.166905975408 TCL: atom 1: phi = -0.476878474908 TCL: Center of mass = 4.02035742157 0.132531304964 -0.167032090018 TCL: atom 1: phi = -0.47732674129 TCL: Center of mass = 4.02151016357 0.132474572024 -0.167183459482 TCL: atom 1: phi = -0.477700504279 WRITING COORDINATES TO DCD FILE AT STEP 3300 WRITING COORDINATES TO RESTART FILE AT STEP 3300 FINISHED WRITING RESTART COORDINATES TIMING: 3300 CPU: 175.987, 0.0531019/step Wall: 213.977, 0.0633667/step, 0.293951 hours remaining, 13604 kB of memory in use. ENERGY: 3300 3368.2310 2429.7483 368.3150 33.8267 -44993.7492 4239.2004 0.0000 0.0000 9653.7692 -24900.6587 286.1770 -24756.9473 -24754.2618 286.1590 1053.9640 -1364.5188 125000.0000 -1500.1041 -1497.5965 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300 WRITING VELOCITIES TO RESTART FILE AT STEP 3300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 4.02267565439 0.132428528269 -0.167367909223 TCL: atom 1: phi = -0.477773152592 TCL: Center of mass = 4.02385550011 0.132409402065 -0.167612301087 TCL: atom 1: phi = -0.477645869811 TCL: Center of mass = 4.02509494833 0.132404107391 -0.1678772325 TCL: atom 1: phi = -0.477238299634 TCL: Center of mass = 4.02638020078 0.132424872261 -0.16817112986 TCL: atom 1: phi = -0.476818790497 TCL: Center of mass = 4.02773040094 0.132440707266 -0.168467087764 TCL: atom 1: phi = -0.476378461578 TCL: Center of mass = 4.02913992972 0.132479366449 -0.168789617086 TCL: atom 1: phi = -0.47611906328 TCL: Center of mass = 4.03056637695 0.132547071344 -0.169097998511 TCL: atom 1: phi = -0.47591681477 TCL: Center of mass = 4.03200423118 0.132652509575 -0.169390562592 TCL: atom 1: phi = -0.475863801352 TCL: Center of mass = 4.03344024802 0.132781292103 -0.169641785716 TCL: atom 1: phi = -0.475718298071 TCL: Center of mass = 4.0348750261 0.13296209297 -0.169878080055 TCL: atom 1: phi = -0.475561515329 TCL: Center of mass = 4.03629193958 0.133143287804 -0.170074393622 TCL: atom 1: phi = -0.475201267536 TCL: Center of mass = 4.03771239993 0.133341570224 -0.170274544054 TCL: atom 1: phi = -0.474839128765 TCL: Center of mass = 4.03915146285 0.133521636616 -0.170460325032 TCL: atom 1: phi = -0.474351405408 TCL: Center of mass = 4.04063118592 0.133712381327 -0.170658000863 TCL: atom 1: phi = -0.47394441113 TCL: Center of mass = 4.04214834727 0.133897354137 -0.170858595544 TCL: atom 1: phi = -0.473594432738 TCL: Center of mass = 4.0436943627 0.134086070007 -0.171039960387 TCL: atom 1: phi = -0.47341833241 TCL: Center of mass = 4.04526130871 0.134268852311 -0.171202440079 TCL: atom 1: phi = -0.473245686086 TCL: Center of mass = 4.04680901705 0.134469178783 -0.171379147622 TCL: atom 1: phi = -0.473194648953 TCL: Center of mass = 4.04832122837 0.134682355633 -0.171542093478 TCL: atom 1: phi = -0.473057328695 TCL: Center of mass = 4.04977287244 0.134927118269 -0.171724642723 TCL: atom 1: phi = -0.472840498877 TCL: Center of mass = 4.05115282261 0.135181490195 -0.171887614044 TCL: atom 1: phi = -0.472265614156 TCL: Center of mass = 4.05246242317 0.135461260275 -0.172066956101 TCL: atom 1: phi = -0.471473257054 TCL: Center of mass = 4.0537422504 0.135737540257 -0.172250439855 TCL: atom 1: phi = -0.470364116052 TCL: Center of mass = 4.05498347815 0.136008374378 -0.172457596929 TCL: atom 1: phi = -0.469186104961 TCL: Center of mass = 4.05624012534 0.13625335488 -0.172669230096 TCL: atom 1: phi = -0.467939840064 TCL: Center of mass = 4.05747434303 0.136502555027 -0.172909278886 TCL: atom 1: phi = -0.466879583173 TCL: Center of mass = 4.05873655465 0.136722511646 -0.173175147888 TCL: atom 1: phi = -0.465885084204 TCL: Center of mass = 4.06000525279 0.136957595426 -0.173433092515 TCL: atom 1: phi = -0.465116065311 TCL: Center of mass = 4.06126931775 0.137207341546 -0.173678053838 TCL: atom 1: phi = -0.464338385441 TCL: Center of mass = 4.06253382196 0.137475965349 -0.173916526296 TCL: atom 1: phi = -0.463681602309 TCL: Center of mass = 4.06374877158 0.137762698708 -0.174137715517 TCL: atom 1: phi = -0.462934364182 TCL: Center of mass = 4.06492605749 0.138090747405 -0.17438177957 TCL: atom 1: phi = -0.462226546874 TCL: Center of mass = 4.06609940205 0.1384186349 -0.174622154379 TCL: atom 1: phi = -0.461373546032 TCL: Center of mass = 4.06726303456 0.138785317796 -0.174874569002 TCL: atom 1: phi = -0.460663754055 TCL: Center of mass = 4.06844200023 0.139140478118 -0.175119854924 TCL: atom 1: phi = -0.459996777651 TCL: Center of mass = 4.06964962358 0.139490736645 -0.175370838539 TCL: atom 1: phi = -0.459628650598 TCL: Center of mass = 4.07090111816 0.13982859994 -0.175649432857 TCL: atom 1: phi = -0.459411305113 TCL: Center of mass = 4.07219734018 0.140175592578 -0.17592390302 TCL: atom 1: phi = -0.459450447254 TCL: Center of mass = 4.07351388755 0.140506715406 -0.176191792813 TCL: atom 1: phi = -0.459560805319 TCL: Center of mass = 4.07481085038 0.140848201085 -0.176441562303 TCL: atom 1: phi = -0.459723197137 TCL: Center of mass = 4.07610256525 0.141179916442 -0.17667272055 TCL: atom 1: phi = -0.459627424066 TCL: Center of mass = 4.0773667248 0.141516389174 -0.176881602267 TCL: atom 1: phi = -0.459326128127 TCL: Center of mass = 4.07857970953 0.14185233879 -0.177062194578 TCL: atom 1: phi = -0.458705461501 TCL: Center of mass = 4.07975269157 0.142189368373 -0.177215727816 TCL: atom 1: phi = -0.457936734346 TCL: Center of mass = 4.08089966147 0.142529292773 -0.177346674987 TCL: atom 1: phi = -0.45689855314 TCL: Center of mass = 4.08203467358 0.142872560741 -0.177488051109 TCL: atom 1: phi = -0.455841512711 TCL: Center of mass = 4.0831650252 0.143222703954 -0.17762221286 TCL: atom 1: phi = -0.45468601401 TCL: Center of mass = 4.08431208115 0.143582647151 -0.177729085415 TCL: atom 1: phi = -0.453675510362 TCL: Center of mass = 4.08546346791 0.143903377894 -0.177832504797 TCL: atom 1: phi = -0.452601309738 TCL: Center of mass = 4.08660889731 0.144237124668 -0.177909542728 TCL: atom 1: phi = -0.451662577557 TCL: Center of mass = 4.08774763837 0.144566167005 -0.17792207879 TCL: atom 1: phi = -0.450620896878 TCL: Center of mass = 4.0888516364 0.144915460619 -0.177879782504 TCL: atom 1: phi = -0.449689914072 TCL: Center of mass = 4.08993725598 0.145253072293 -0.177782113694 TCL: atom 1: phi = -0.448673558134 TCL: Center of mass = 4.09100509846 0.145592627473 -0.17762732497 TCL: atom 1: phi = -0.447847199992 TCL: Center of mass = 4.09206122415 0.145917423881 -0.177415192679 TCL: atom 1: phi = -0.447032467112 TCL: Center of mass = 4.0931197219 0.146265317891 -0.177174208841 TCL: atom 1: phi = -0.446538883546 TCL: Center of mass = 4.09417668297 0.146596688044 -0.176912708918 TCL: atom 1: phi = -0.446232513684 TCL: Center of mass = 4.09523944368 0.146915266608 -0.17663945926 TCL: atom 1: phi = -0.446318409234 TCL: Center of mass = 4.09633793138 0.147176661788 -0.176341240291 TCL: atom 1: phi = -0.446540379809 TCL: Center of mass = 4.09747331156 0.147426918324 -0.17604320202 TCL: atom 1: phi = -0.447058110986 TCL: Center of mass = 4.0986572169 0.147625363329 -0.175721833067 TCL: atom 1: phi = -0.447572087497 TCL: Center of mass = 4.0998686605 0.147799031671 -0.175384797092 TCL: atom 1: phi = -0.448209754406 TCL: Center of mass = 4.10111957695 0.147955198035 -0.175028043425 TCL: atom 1: phi = -0.448683163965 TCL: Center of mass = 4.10236762338 0.148068742515 -0.174665518431 TCL: atom 1: phi = -0.449123100538 TCL: Center of mass = 4.10361256419 0.148160307658 -0.174294101763 TCL: atom 1: phi = -0.449321493314 TCL: Center of mass = 4.10484995536 0.148228045103 -0.173940194673 TCL: atom 1: phi = -0.449620308346 TCL: Center of mass = 4.10608772143 0.148265819479 -0.173587905367 TCL: atom 1: phi = -0.449783465884 TCL: Center of mass = 4.10727300935 0.148293847112 -0.173273795623 TCL: atom 1: phi = -0.450105311759 TCL: Center of mass = 4.10846336954 0.148315845032 -0.172980126116 TCL: atom 1: phi = -0.450258727883 TCL: Center of mass = 4.10962011935 0.148325892477 -0.17272025918 TCL: atom 1: phi = -0.45047013721 TCL: Center of mass = 4.11077918761 0.14831014164 -0.17247249156 TCL: atom 1: phi = -0.450470273531 TCL: Center of mass = 4.11193937304 0.148307494912 -0.172269358632 TCL: atom 1: phi = -0.450401144453 TCL: Center of mass = 4.11311500473 0.148306499484 -0.172072291001 TCL: atom 1: phi = -0.450034942184 TCL: Center of mass = 4.1142692321 0.148323260748 -0.171882577484 TCL: atom 1: phi = -0.449579644645 TCL: Center of mass = 4.11541468488 0.148345720971 -0.171677048672 TCL: atom 1: phi = -0.44893427349 TCL: Center of mass = 4.11651865196 0.148359686666 -0.171483990254 TCL: atom 1: phi = -0.448376661021 TCL: Center of mass = 4.11758024705 0.148397986754 -0.171284633064 TCL: atom 1: phi = -0.447732003191 TCL: Center of mass = 4.11858189087 0.148456932934 -0.171105070441 TCL: atom 1: phi = -0.447264291965 TCL: Center of mass = 4.11954825938 0.148508804819 -0.170937816867 TCL: atom 1: phi = -0.446814349199 TCL: Center of mass = 4.12048917046 0.148541029741 -0.170784933024 TCL: atom 1: phi = -0.446572532571 TCL: Center of mass = 4.1214390282 0.14857656615 -0.170614888613 TCL: atom 1: phi = -0.446350776 TCL: Center of mass = 4.12240072678 0.148600761554 -0.170463421901 TCL: atom 1: phi = -0.446199203599 TCL: Center of mass = 4.12343181986 0.148595888028 -0.170298321832 TCL: atom 1: phi = -0.445827398859 TCL: Center of mass = 4.12451564949 0.148588329917 -0.170142703962 TCL: atom 1: phi = -0.445389566429 TCL: Center of mass = 4.12563889568 0.148586648251 -0.169981475024 TCL: atom 1: phi = -0.444812341323 TCL: Center of mass = 4.1267832565 0.148562904532 -0.169819131756 TCL: atom 1: phi = -0.444296069841 TCL: Center of mass = 4.1279485753 0.148522771374 -0.169646959947 TCL: atom 1: phi = -0.443665350601 TCL: Center of mass = 4.12910825177 0.148491479409 -0.169511653749 TCL: atom 1: phi = -0.443220480142 TCL: Center of mass = 4.1302586965 0.148447490829 -0.169374075051 TCL: atom 1: phi = -0.442818757779 TCL: Center of mass = 4.13138865463 0.148384807519 -0.169255786345 TCL: atom 1: phi = -0.442673401637 TCL: Center of mass = 4.13250292653 0.148318309289 -0.169126736617 TCL: atom 1: phi = -0.442608734112 TCL: Center of mass = 4.13364159242 0.148260394978 -0.169015695474 TCL: atom 1: phi = -0.442690142954 TCL: Center of mass = 4.13484625236 0.148159389844 -0.168880827217 TCL: atom 1: phi = -0.442744492831 TCL: Center of mass = 4.13613069287 0.148031992646 -0.168762691937 TCL: atom 1: phi = -0.442910409375 TCL: Center of mass = 4.13748187838 0.147881107328 -0.168645163175 TCL: atom 1: phi = -0.443043908415 TCL: Center of mass = 4.13888489523 0.147733524816 -0.168533622537 TCL: atom 1: phi = -0.443363930692 TCL: Center of mass = 4.14030964325 0.147545326232 -0.168422887845 TCL: atom 1: phi = -0.443730756571 TCL: Center of mass = 4.14172085229 0.147333483915 -0.168333938054 TCL: atom 1: phi = -0.444306015092 TCL: Center of mass = 4.14311982267 0.147092441041 -0.168249849623 TCL: atom 1: phi = -0.444933500951 TCL: Center of mass = 4.14448546219 0.146850789363 -0.168200178417 TCL: atom 1: phi = -0.445773382165 WRITING COORDINATES TO DCD FILE AT STEP 3400 WRITING COORDINATES TO RESTART FILE AT STEP 3400 FINISHED WRITING RESTART COORDINATES TIMING: 3400 CPU: 181.3, 0.0531319/step Wall: 220.272, 0.0629478/step, 0.290259 hours remaining, 13604 kB of memory in use. ENERGY: 3400 3434.1059 2407.6148 373.6102 33.6394 -44704.7103 4112.1998 0.0000 0.0000 9501.1958 -24842.3444 281.6541 -24696.9443 -24702.5483 284.8892 801.7783 -1529.0062 125000.0000 -1469.5717 -1476.4649 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400 WRITING VELOCITIES TO RESTART FILE AT STEP 3400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 4.14583539468 0.146591931001 -0.168136422174 TCL: atom 1: phi = -0.446661562555 TCL: Center of mass = 4.14717798538 0.146339910201 -0.16808827681 TCL: atom 1: phi = -0.447656698563 TCL: Center of mass = 4.14854484108 0.146072745197 -0.16803603597 TCL: atom 1: phi = -0.448544084198 TCL: Center of mass = 4.14997812725 0.145807302287 -0.168006670185 TCL: atom 1: phi = -0.449440811617 TCL: Center of mass = 4.1514765923 0.145533967087 -0.167991695966 TCL: atom 1: phi = -0.45009623418 TCL: Center of mass = 4.1530318793 0.145258585287 -0.168013671245 TCL: atom 1: phi = -0.450677569534 TCL: Center of mass = 4.15463605274 0.144981880108 -0.168044865571 TCL: atom 1: phi = -0.45107848941 TCL: Center of mass = 4.15625838247 0.144726123473 -0.168116232839 TCL: atom 1: phi = -0.451419685176 TCL: Center of mass = 4.15788661668 0.144478173626 -0.168214547856 TCL: atom 1: phi = -0.451614979261 TCL: Center of mass = 4.15948279044 0.144261897202 -0.168347405454 TCL: atom 1: phi = -0.451773547461 TCL: Center of mass = 4.16106425119 0.144049814225 -0.168489594584 TCL: atom 1: phi = -0.45173951735 TCL: Center of mass = 4.16263627606 0.14388999523 -0.168656903825 TCL: atom 1: phi = -0.451584034463 TCL: Center of mass = 4.16421232143 0.143741533812 -0.168817111237 TCL: atom 1: phi = -0.45120976859 TCL: Center of mass = 4.1658067196 0.143616667526 -0.16899361084 TCL: atom 1: phi = -0.450777283747 TCL: Center of mass = 4.1674574991 0.143494781235 -0.169159592886 TCL: atom 1: phi = -0.45012019921 TCL: Center of mass = 4.16914856368 0.143371753209 -0.169291091605 TCL: atom 1: phi = -0.449454470197 TCL: Center of mass = 4.1708952999 0.143244304939 -0.169417004531 TCL: atom 1: phi = -0.448701483607 TCL: Center of mass = 4.17266899225 0.143108152256 -0.16953049397 TCL: atom 1: phi = -0.448081570076 TCL: Center of mass = 4.17443949217 0.142946931775 -0.169648503228 TCL: atom 1: phi = -0.447509485662 TCL: Center of mass = 4.17616636157 0.142803247548 -0.169756812925 TCL: atom 1: phi = -0.447155772451 TCL: Center of mass = 4.17786455966 0.142635940064 -0.169830389745 TCL: atom 1: phi = -0.44684492212 TCL: Center of mass = 4.17950162495 0.142478369232 -0.16989451955 TCL: atom 1: phi = -0.446703874321 TCL: Center of mass = 4.18106612816 0.142333929715 -0.169923630233 TCL: atom 1: phi = -0.44668228699 TCL: Center of mass = 4.1825882195 0.142225251439 -0.169917578739 TCL: atom 1: phi = -0.446792348475 TCL: Center of mass = 4.18409597904 0.142124359515 -0.169873703464 TCL: atom 1: phi = -0.446897904949 TCL: Center of mass = 4.18558378426 0.142048156501 -0.169808484545 TCL: atom 1: phi = -0.447116828015 TCL: Center of mass = 4.18707358566 0.141964132298 -0.169714397152 TCL: atom 1: phi = -0.447319211931 TCL: Center of mass = 4.18857238096 0.141851180894 -0.16962201793 TCL: atom 1: phi = -0.447596580977 TCL: Center of mass = 4.1900991536 0.141714952577 -0.169530209258 TCL: atom 1: phi = -0.447804841119 TCL: Center of mass = 4.19163223286 0.141605391969 -0.169427760977 TCL: atom 1: phi = -0.448042096414 TCL: Center of mass = 4.19316880993 0.141509140256 -0.169323049982 TCL: atom 1: phi = -0.448231624041 TCL: Center of mass = 4.19468399364 0.141466066743 -0.169221840883 TCL: atom 1: phi = -0.44853063893 TCL: Center of mass = 4.19618304923 0.141450858814 -0.169137104846 TCL: atom 1: phi = -0.448778002786 TCL: Center of mass = 4.19766549196 0.141488598244 -0.169068457153 TCL: atom 1: phi = -0.449112263913 TCL: Center of mass = 4.19912900557 0.141553943163 -0.168995469946 TCL: atom 1: phi = -0.449356687415 TCL: Center of mass = 4.20061608784 0.141663233522 -0.168941466036 TCL: atom 1: phi = -0.449663164709 TCL: Center of mass = 4.20214075637 0.141793993727 -0.168901496179 TCL: atom 1: phi = -0.449855056908 TCL: Center of mass = 4.20369666393 0.141946173132 -0.168867373616 TCL: atom 1: phi = -0.45009810274 TCL: Center of mass = 4.20530409601 0.142080184253 -0.168827440305 TCL: atom 1: phi = -0.450271365932 TCL: Center of mass = 4.2069504162 0.142225185412 -0.168781599469 TCL: atom 1: phi = -0.450550032453 TCL: Center of mass = 4.20864778258 0.14236049824 -0.168714052417 TCL: atom 1: phi = -0.450830023264 TCL: Center of mass = 4.21039949186 0.142496662739 -0.168622586949 TCL: atom 1: phi = -0.451194965886 TCL: Center of mass = 4.21219444137 0.142640639278 -0.168523199304 TCL: atom 1: phi = -0.451505417089 TCL: Center of mass = 4.21399829647 0.142804500613 -0.168452258235 TCL: atom 1: phi = -0.451859425352 TCL: Center of mass = 4.21580780449 0.142981167095 -0.168388661357 TCL: atom 1: phi = -0.452164922599 TCL: Center of mass = 4.21758261707 0.143176960988 -0.168353197168 TCL: atom 1: phi = -0.452513455027 TCL: Center of mass = 4.21934463023 0.143394357949 -0.168331215532 TCL: atom 1: phi = -0.452646530886 TCL: Center of mass = 4.22108048339 0.143609727967 -0.16833560404 TCL: atom 1: phi = -0.452728508784 TCL: Center of mass = 4.22281530376 0.14380807814 -0.168355226592 TCL: atom 1: phi = -0.452653800996 TCL: Center of mass = 4.22453424301 0.143985131409 -0.1683897441 TCL: atom 1: phi = -0.45247331126 TCL: Center of mass = 4.22625158878 0.144114084414 -0.168427830355 TCL: atom 1: phi = -0.452119423417 TCL: Center of mass = 4.22796584538 0.144221008838 -0.168470370459 TCL: atom 1: phi = -0.451780276523 TCL: Center of mass = 4.22970791288 0.14430498854 -0.168515006891 TCL: atom 1: phi = -0.451373091556 TCL: Center of mass = 4.23142695513 0.144389248376 -0.168559470779 TCL: atom 1: phi = -0.45097846246 TCL: Center of mass = 4.23312755341 0.144476236061 -0.168606684663 TCL: atom 1: phi = -0.45044567102 TCL: Center of mass = 4.23478217411 0.144577703209 -0.168687975427 TCL: atom 1: phi = -0.449860534007 TCL: Center of mass = 4.23640160991 0.144660812826 -0.168780336434 TCL: atom 1: phi = -0.449078576627 TCL: Center of mass = 4.23797428117 0.144762639035 -0.168895663814 TCL: atom 1: phi = -0.448176126729 TCL: Center of mass = 4.23953469723 0.144860213853 -0.168976814651 TCL: atom 1: phi = -0.447096617127 TCL: Center of mass = 4.2410919953 0.144946031373 -0.169055699215 TCL: atom 1: phi = -0.446088316051 TCL: Center of mass = 4.24267062036 0.145016299388 -0.169128218958 TCL: atom 1: phi = -0.445067158589 TCL: Center of mass = 4.24428105521 0.145062083295 -0.169194403794 TCL: atom 1: phi = -0.444272745604 TCL: Center of mass = 4.24591091321 0.145097313337 -0.16923712206 TCL: atom 1: phi = -0.443565183848 TCL: Center of mass = 4.24757511661 0.145139219922 -0.169270309605 TCL: atom 1: phi = -0.443104232418 TCL: Center of mass = 4.2492672521 0.145166756624 -0.169279707948 TCL: atom 1: phi = -0.442734485631 TCL: Center of mass = 4.25091953797 0.145195131673 -0.169298276435 TCL: atom 1: phi = -0.44256412763 TCL: Center of mass = 4.25254770117 0.145205384948 -0.169321332016 TCL: atom 1: phi = -0.442409919396 TCL: Center of mass = 4.25410863777 0.145214673984 -0.169345971779 TCL: atom 1: phi = -0.442412212172 TCL: Center of mass = 4.25562667819 0.145218031627 -0.16937844992 TCL: atom 1: phi = -0.44231499085 TCL: Center of mass = 4.25710748869 0.145234500823 -0.169415320567 TCL: atom 1: phi = -0.442288944993 TCL: Center of mass = 4.25858372342 0.145215177628 -0.169467369936 TCL: atom 1: phi = -0.44226688255 TCL: Center of mass = 4.26007192044 0.145198453778 -0.1695474982 TCL: atom 1: phi = -0.442375832996 TCL: Center of mass = 4.26159468287 0.14516094133 -0.169636227378 TCL: atom 1: phi = -0.442477562345 TCL: Center of mass = 4.26311368024 0.145102206108 -0.169740258221 TCL: atom 1: phi = -0.442635642462 TCL: Center of mass = 4.26464559183 0.145000798051 -0.169866517071 TCL: atom 1: phi = -0.442633471524 TCL: Center of mass = 4.26615236228 0.144882102647 -0.170040889835 TCL: atom 1: phi = -0.442615108365 TCL: Center of mass = 4.26763935506 0.144744357129 -0.170266430733 TCL: atom 1: phi = -0.442357968317 TCL: Center of mass = 4.2690820982 0.144608835633 -0.170536862384 TCL: atom 1: phi = -0.441921517507 TCL: Center of mass = 4.27046081222 0.144443940723 -0.170840276684 TCL: atom 1: phi = -0.441151761499 TCL: Center of mass = 4.2717872806 0.144286255795 -0.171165425099 TCL: atom 1: phi = -0.440267652955 TCL: Center of mass = 4.27310297575 0.144126289387 -0.17149465124 TCL: atom 1: phi = -0.439225958211 TCL: Center of mass = 4.27440561036 0.143990659856 -0.171839557915 TCL: atom 1: phi = -0.438227747176 TCL: Center of mass = 4.27574639971 0.14383858768 -0.172193243281 TCL: atom 1: phi = -0.437221228584 TCL: Center of mass = 4.2771180379 0.143707138266 -0.172552411406 TCL: atom 1: phi = -0.436404224786 TCL: Center of mass = 4.2785356853 0.14355502809 -0.172890749184 TCL: atom 1: phi = -0.435665282227 TCL: Center of mass = 4.27999374004 0.143409050112 -0.17323158382 TCL: atom 1: phi = -0.435105109944 TCL: Center of mass = 4.28147280117 0.143263093052 -0.173561331482 TCL: atom 1: phi = -0.434548325228 TCL: Center of mass = 4.28296535657 0.143143186416 -0.173895775766 TCL: atom 1: phi = -0.434096410357 TCL: Center of mass = 4.28444668484 0.143046146963 -0.174216897213 TCL: atom 1: phi = -0.433545637527 TCL: Center of mass = 4.28592337172 0.142979543445 -0.174531863425 TCL: atom 1: phi = -0.432989848786 TCL: Center of mass = 4.28737354614 0.142933187155 -0.174807148288 TCL: atom 1: phi = -0.432302478765 TCL: Center of mass = 4.28883810646 0.142938362743 -0.175043829722 TCL: atom 1: phi = -0.43166221362 TCL: Center of mass = 4.29033464301 0.142943244898 -0.175258390186 TCL: atom 1: phi = -0.430933275859 TCL: Center of mass = 4.29185751055 0.14296055555 -0.175446922003 TCL: atom 1: phi = -0.430358749168 TCL: Center of mass = 4.29341106482 0.142968898557 -0.175624488627 TCL: atom 1: phi = -0.429731759703 TCL: Center of mass = 4.29499104971 0.142957232906 -0.175794440159 TCL: atom 1: phi = -0.429187579649 TCL: Center of mass = 4.29658089234 0.142934483275 -0.175951253322 TCL: atom 1: phi = -0.428492733186 TCL: Center of mass = 4.29814054763 0.142911674195 -0.176107727886 TCL: atom 1: phi = -0.42780467217 TCL: Center of mass = 4.29967859097 0.142860541736 -0.176246904465 TCL: atom 1: phi = -0.426867393761 TCL: Center of mass = 4.30118046811 0.142832100761 -0.176386837738 TCL: atom 1: phi = -0.425894875343 WRITING COORDINATES TO DCD FILE AT STEP 3500 WRITING COORDINATES TO RESTART FILE AT STEP 3500 FINISHED WRITING RESTART COORDINATES TIMING: 3500 CPU: 186.606, 0.0530519/step Wall: 226.555, 0.0628299/step, 0.28797 hours remaining, 13604 kB of memory in use. ENERGY: 3500 3334.5510 2389.9170 364.5982 31.9917 -44669.9476 4054.7917 0.0000 0.0000 9650.0602 -24844.0379 286.0670 -24701.5043 -24697.3351 284.8407 821.6757 -1557.1064 125000.0000 -1668.8456 -1668.0905 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500 WRITING VELOCITIES TO RESTART FILE AT STEP 3500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 4.30265086221 0.142797276351 -0.17652253212 TCL: atom 1: phi = -0.424767862713 TCL: Center of mass = 4.3040764309 0.142777580576 -0.176672442856 TCL: atom 1: phi = -0.423723970613 TCL: Center of mass = 4.30549098525 0.142759410609 -0.176818337262 TCL: atom 1: phi = -0.422713802686 TCL: Center of mass = 4.30688094287 0.142748812344 -0.176991925741 TCL: atom 1: phi = -0.421988107137 TCL: Center of mass = 4.30828125991 0.142724420146 -0.177167379532 TCL: atom 1: phi = -0.421367722752 TCL: Center of mass = 4.30966734984 0.142706786574 -0.177353096407 TCL: atom 1: phi = -0.421127650572 TCL: Center of mass = 4.31106876781 0.142676706585 -0.177538597562 TCL: atom 1: phi = -0.421017657588 TCL: Center of mass = 4.3124529047 0.142637708599 -0.177699993918 TCL: atom 1: phi = -0.421131436266 TCL: Center of mass = 4.31382646564 0.142583906427 -0.177832370782 TCL: atom 1: phi = -0.421196715293 TCL: Center of mass = 4.3152006459 0.142548720631 -0.177931524972 TCL: atom 1: phi = -0.42139637405 TCL: Center of mass = 4.31656217214 0.142518107297 -0.178030570278 TCL: atom 1: phi = -0.421555214679 TCL: Center of mass = 4.31790563421 0.142535596253 -0.178113742368 TCL: atom 1: phi = -0.421891148993 TCL: Center of mass = 4.31927609078 0.142581947854 -0.178197155101 TCL: atom 1: phi = -0.422253462754 TCL: Center of mass = 4.32063218173 0.142686300337 -0.178291726975 TCL: atom 1: phi = -0.422834822942 TCL: Center of mass = 4.3220101667 0.142826017948 -0.178405704749 TCL: atom 1: phi = -0.423473652422 TCL: Center of mass = 4.32338432882 0.142996774122 -0.178558450505 TCL: atom 1: phi = -0.424293199923 TCL: Center of mass = 4.32476513677 0.143175216834 -0.178703162748 TCL: atom 1: phi = -0.425026456451 TCL: Center of mass = 4.32614740119 0.143367308725 -0.178849296289 TCL: atom 1: phi = -0.425787265057 TCL: Center of mass = 4.32755172557 0.143544279659 -0.178973517148 TCL: atom 1: phi = -0.426275768102 TCL: Center of mass = 4.32896676358 0.143695541916 -0.179095201937 TCL: atom 1: phi = -0.426634239244 TCL: Center of mass = 4.3303917795 0.143829984179 -0.179203444951 TCL: atom 1: phi = -0.426640025896 TCL: Center of mass = 4.33180705025 0.143985693576 -0.179318629584 TCL: atom 1: phi = -0.426485555421 TCL: Center of mass = 4.33324307116 0.144129008521 -0.179439470713 TCL: atom 1: phi = -0.426050459583 TCL: Center of mass = 4.3346454226 0.144278471189 -0.17959392916 TCL: atom 1: phi = -0.425673146455 TCL: Center of mass = 4.33604755031 0.144437177747 -0.179784287883 TCL: atom 1: phi = -0.425169997903 TCL: Center of mass = 4.33742838303 0.144600445456 -0.179988012101 TCL: atom 1: phi = -0.424803243011 TCL: Center of mass = 4.33881563935 0.144751507266 -0.180192604193 TCL: atom 1: phi = -0.424353648131 TCL: Center of mass = 4.34020552985 0.144880872005 -0.180389039951 TCL: atom 1: phi = -0.423957022033 TCL: Center of mass = 4.34159318326 0.144946566644 -0.18053622758 TCL: atom 1: phi = -0.423361487819 TCL: Center of mass = 4.34299291503 0.144976074667 -0.180646072095 TCL: atom 1: phi = -0.42268679711 TCL: Center of mass = 4.34442636068 0.144962776873 -0.180704001959 TCL: atom 1: phi = -0.421798677721 TCL: Center of mass = 4.34588576729 0.14493292722 -0.180710895055 TCL: atom 1: phi = -0.420943822227 TCL: Center of mass = 4.3473824328 0.144898838039 -0.180694662027 TCL: atom 1: phi = -0.420006906577 TCL: Center of mass = 4.34889873992 0.144879018911 -0.180664282558 TCL: atom 1: phi = -0.419292369844 TCL: Center of mass = 4.35042872529 0.144850121854 -0.180626398965 TCL: atom 1: phi = -0.418642244786 TCL: Center of mass = 4.35194601499 0.144868250532 -0.180571085888 TCL: atom 1: phi = -0.418231127887 TCL: Center of mass = 4.35347397578 0.144913437717 -0.18049492868 TCL: atom 1: phi = -0.417810661119 TCL: Center of mass = 4.35501058674 0.14497980759 -0.180395007303 TCL: atom 1: phi = -0.417535848849 TCL: Center of mass = 4.35654917485 0.145051024747 -0.180267540284 TCL: atom 1: phi = -0.417076308329 TCL: Center of mass = 4.35809365108 0.145107462762 -0.180117452311 TCL: atom 1: phi = -0.416647028071 TCL: Center of mass = 4.35967862622 0.145180304851 -0.179955557283 TCL: atom 1: phi = -0.415963808848 TCL: Center of mass = 4.36129310139 0.145249423433 -0.179791750888 TCL: atom 1: phi = -0.415308089539 TCL: Center of mass = 4.36294560777 0.145301019004 -0.179611756126 TCL: atom 1: phi = -0.414551552437 TCL: Center of mass = 4.36459398398 0.145349699158 -0.179452466771 TCL: atom 1: phi = -0.413927750402 TCL: Center of mass = 4.36623708207 0.145409429629 -0.179308767022 TCL: atom 1: phi = -0.413368934859 TCL: Center of mass = 4.36783818484 0.145485772138 -0.179214244162 TCL: atom 1: phi = -0.413123219399 TCL: Center of mass = 4.36940546382 0.145584962875 -0.179134360453 TCL: atom 1: phi = -0.412921614349 TCL: Center of mass = 4.37091869172 0.14569086763 -0.179104334583 TCL: atom 1: phi = -0.412943441205 TCL: Center of mass = 4.37239788643 0.145789733298 -0.179082501497 TCL: atom 1: phi = -0.412931589127 TCL: Center of mass = 4.37384673588 0.145879620173 -0.179074982747 TCL: atom 1: phi = -0.413078141983 TCL: Center of mass = 4.37528863779 0.145942506211 -0.179079205576 TCL: atom 1: phi = -0.413153969744 TCL: Center of mass = 4.37675556643 0.145983282527 -0.179090417352 TCL: atom 1: phi = -0.413306635931 TCL: Center of mass = 4.37825625673 0.145967933232 -0.179111922428 TCL: atom 1: phi = -0.413433007149 TCL: Center of mass = 4.3797718572 0.145933857113 -0.179155209963 TCL: atom 1: phi = -0.413766293282 TCL: Center of mass = 4.38131240357 0.145863653602 -0.179212456543 TCL: atom 1: phi = -0.414196586261 TCL: Center of mass = 4.38282792937 0.14578383532 -0.179310497487 TCL: atom 1: phi = -0.414871964907 TCL: Center of mass = 4.38433370744 0.145698709815 -0.179413219346 TCL: atom 1: phi = -0.415606802979 TCL: Center of mass = 4.38578707749 0.145621109994 -0.179543032465 TCL: atom 1: phi = -0.416533331593 TCL: Center of mass = 4.38723786251 0.145546617672 -0.179680033035 TCL: atom 1: phi = -0.417304224188 TCL: Center of mass = 4.38866596095 0.145500035982 -0.179823133559 TCL: atom 1: phi = -0.418046340514 TCL: Center of mass = 4.39012161621 0.145427237023 -0.179973301195 TCL: atom 1: phi = -0.418528125778 TCL: Center of mass = 4.3915820862 0.145382833125 -0.180104876147 TCL: atom 1: phi = -0.418933985633 TCL: Center of mass = 4.39309779668 0.145339038797 -0.180190509676 TCL: atom 1: phi = -0.419069171088 TCL: Center of mass = 4.39464431703 0.145299824947 -0.180300440972 TCL: atom 1: phi = -0.419227879808 TCL: Center of mass = 4.39622342218 0.145270611737 -0.180402643106 TCL: atom 1: phi = -0.419285848441 TCL: Center of mass = 4.39780022725 0.145257926842 -0.180510599736 TCL: atom 1: phi = -0.419547889924 TCL: Center of mass = 4.39937610378 0.145275003183 -0.180581886775 TCL: atom 1: phi = -0.419757177466 TCL: Center of mass = 4.40091177035 0.145342812142 -0.180641612085 TCL: atom 1: phi = -0.420078569157 TCL: Center of mass = 4.40243898711 0.145440226117 -0.180689537054 TCL: atom 1: phi = -0.420280539479 TCL: Center of mass = 4.40395434674 0.145578904963 -0.180730292587 TCL: atom 1: phi = -0.420509878457 TCL: Center of mass = 4.40546583609 0.145726413156 -0.180749355403 TCL: atom 1: phi = -0.420480369125 TCL: Center of mass = 4.40699693482 0.145908403761 -0.180767058567 TCL: atom 1: phi = -0.420409631855 TCL: Center of mass = 4.40855804894 0.146094367356 -0.180785365501 TCL: atom 1: phi = -0.420197491283 TCL: Center of mass = 4.41012666653 0.146299960811 -0.180807191148 TCL: atom 1: phi = -0.420102562012 TCL: Center of mass = 4.41174062235 0.146481955452 -0.180796412798 TCL: atom 1: phi = -0.42000527444 TCL: Center of mass = 4.4133712946 0.146662480925 -0.180783678989 TCL: atom 1: phi = -0.420222947112 TCL: Center of mass = 4.4150263124 0.146814706094 -0.180759534065 TCL: atom 1: phi = -0.420571007429 TCL: Center of mass = 4.41665994212 0.146955063961 -0.180735005495 TCL: atom 1: phi = -0.421201310131 TCL: Center of mass = 4.41830792571 0.147079248763 -0.180694194508 TCL: atom 1: phi = -0.421822058398 TCL: Center of mass = 4.41994431436 0.147205782155 -0.180661239833 TCL: atom 1: phi = -0.422576704899 TCL: Center of mass = 4.42157446214 0.147327236708 -0.180637011004 TCL: atom 1: phi = -0.42310343936 TCL: Center of mass = 4.4231925882 0.147443447738 -0.180624242004 TCL: atom 1: phi = -0.423655059999 TCL: Center of mass = 4.42482853452 0.147556147163 -0.180634126094 TCL: atom 1: phi = -0.423995657578 TCL: Center of mass = 4.42645523094 0.147661979738 -0.18065605545 TCL: atom 1: phi = -0.424432828818 TCL: Center of mass = 4.42806574371 0.147748731093 -0.18066778733 TCL: atom 1: phi = -0.424896423815 TCL: Center of mass = 4.42963987771 0.147820740182 -0.180670124957 TCL: atom 1: phi = -0.425615121427 TCL: Center of mass = 4.43120038961 0.147859443658 -0.180648017755 TCL: atom 1: phi = -0.426365004348 TCL: Center of mass = 4.43271888901 0.147870104594 -0.18059814138 TCL: atom 1: phi = -0.427334742476 TCL: Center of mass = 4.43420147855 0.147852819227 -0.180516259023 TCL: atom 1: phi = -0.428286978003 TCL: Center of mass = 4.43562021624 0.14785165592 -0.180412906714 TCL: atom 1: phi = -0.429252818898 TCL: Center of mass = 4.43702723934 0.147855146215 -0.180315877938 TCL: atom 1: phi = -0.429900247073 TCL: Center of mass = 4.4383988508 0.147873548451 -0.180196415462 TCL: atom 1: phi = -0.430363202015 TCL: Center of mass = 4.43975629142 0.147906772118 -0.180069175381 TCL: atom 1: phi = -0.430577816144 TCL: Center of mass = 4.44107279944 0.147933692395 -0.179931916805 TCL: atom 1: phi = -0.430742034476 TCL: Center of mass = 4.44240276177 0.14794708279 -0.179769771643 TCL: atom 1: phi = -0.430778592026 TCL: Center of mass = 4.44371467765 0.147964062863 -0.179594603097 TCL: atom 1: phi = -0.430932763219 TCL: Center of mass = 4.44500275956 0.147951467999 -0.179381331724 TCL: atom 1: phi = -0.431086070038 TCL: Center of mass = 4.44628007639 0.147913732977 -0.179114002447 TCL: atom 1: phi = -0.431376177787 TCL: Center of mass = 4.44755954207 0.147836587217 -0.178836209803 TCL: atom 1: phi = -0.431599611543 TCL: Center of mass = 4.4488508234 0.147723989158 -0.178557094205 TCL: atom 1: phi = -0.431827974235 WRITING COORDINATES TO DCD FILE AT STEP 3600 WRITING COORDINATES TO RESTART FILE AT STEP 3600 FINISHED WRITING RESTART COORDINATES TIMING: 3600 CPU: 191.9, 0.0529419/step Wall: 232.897, 0.0634225/step, 0.288925 hours remaining, 13604 kB of memory in use. ENERGY: 3600 3419.0630 2391.1242 371.5327 33.4887 -44751.2747 4080.1244 0.0000 0.0000 9638.8954 -24817.0465 285.7361 -24671.7716 -24678.4308 285.1857 728.4530 -1555.8454 125000.0000 -1580.8581 -1579.3794 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600 WRITING VELOCITIES TO RESTART FILE AT STEP 3600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 4.45016462804 0.147602063933 -0.178263077046 TCL: atom 1: phi = -0.431756246669 TCL: Center of mass = 4.45147400339 0.147504268465 -0.177991506843 TCL: atom 1: phi = -0.431525586483 TCL: Center of mass = 4.45278940164 0.147406210877 -0.177734403769 TCL: atom 1: phi = -0.430969007493 TCL: Center of mass = 4.45411397343 0.147319448607 -0.177514564879 TCL: atom 1: phi = -0.430348950918 TCL: Center of mass = 4.45545229666 0.147236109322 -0.177316002262 TCL: atom 1: phi = -0.429561355905 TCL: Center of mass = 4.45677916944 0.147151828802 -0.177153403965 TCL: atom 1: phi = -0.428895581776 TCL: Center of mass = 4.45812831171 0.14705526981 -0.176989312462 TCL: atom 1: phi = -0.428210572927 TCL: Center of mass = 4.45948606358 0.14695394569 -0.176841267981 TCL: atom 1: phi = -0.42774743486 TCL: Center of mass = 4.46084725348 0.146827410173 -0.176698386569 TCL: atom 1: phi = -0.427241572542 TCL: Center of mass = 4.46221622485 0.146688589959 -0.176550921187 TCL: atom 1: phi = -0.426773470723 TCL: Center of mass = 4.46358661037 0.146529618742 -0.176407431195 TCL: atom 1: phi = -0.426213098018 TCL: Center of mass = 4.46499661296 0.146370270789 -0.176288285914 TCL: atom 1: phi = -0.425686496213 TCL: Center of mass = 4.46643023644 0.146229722003 -0.176170337952 TCL: atom 1: phi = -0.424985669843 TCL: Center of mass = 4.46785132288 0.146122992838 -0.176101600092 TCL: atom 1: phi = -0.424368827891 TCL: Center of mass = 4.46925880333 0.146055985799 -0.1760845572 TCL: atom 1: phi = -0.423723264857 TCL: Center of mass = 4.47063356909 0.14601216118 -0.1761222266 TCL: atom 1: phi = -0.4233220934 TCL: Center of mass = 4.47199712879 0.145985326675 -0.176168128424 TCL: atom 1: phi = -0.423022550923 TCL: Center of mass = 4.47336027273 0.145973366197 -0.176227595469 TCL: atom 1: phi = -0.423076994222 TCL: Center of mass = 4.47472166677 0.145948638887 -0.176273029439 TCL: atom 1: phi = -0.423182537514 TCL: Center of mass = 4.47608631563 0.145918180609 -0.17632113038 TCL: atom 1: phi = -0.423491928466 TCL: Center of mass = 4.47749146884 0.14583012279 -0.176362248013 TCL: atom 1: phi = -0.423668342452 TCL: Center of mass = 4.47893532149 0.145720810503 -0.176430585935 TCL: atom 1: phi = -0.423886627525 TCL: Center of mass = 4.48041455425 0.145582943044 -0.176499797981 TCL: atom 1: phi = -0.423860833818 TCL: Center of mass = 4.48190554799 0.145456486983 -0.176586108479 TCL: atom 1: phi = -0.423818177632 TCL: Center of mass = 4.48338818222 0.145322046394 -0.176685690241 TCL: atom 1: phi = -0.4235963904 TCL: Center of mass = 4.48484015171 0.145215311913 -0.176799975969 TCL: atom 1: phi = -0.423469889429 TCL: Center of mass = 4.48627405154 0.145114962907 -0.176912028507 TCL: atom 1: phi = -0.423271835374 TCL: Center of mass = 4.48767585598 0.145030445635 -0.177032934393 TCL: atom 1: phi = -0.423298315466 TCL: Center of mass = 4.48907366637 0.144932249308 -0.177116812128 TCL: atom 1: phi = -0.423260365669 TCL: Center of mass = 4.49048044291 0.144814102692 -0.177200254497 TCL: atom 1: phi = -0.42337422622 TCL: Center of mass = 4.49192184128 0.144654343324 -0.177273800338 TCL: atom 1: phi = -0.423353021012 TCL: Center of mass = 4.4933663967 0.144485234663 -0.177344290606 TCL: atom 1: phi = -0.423383071656 TCL: Center of mass = 4.49482878545 0.144307191752 -0.177388123128 TCL: atom 1: phi = -0.423209410818 TCL: Center of mass = 4.4962906484 0.144141395788 -0.177434360199 TCL: atom 1: phi = -0.423049940434 TCL: Center of mass = 4.49776296527 0.143967876368 -0.177464666537 TCL: atom 1: phi = -0.422723363909 TCL: Center of mass = 4.49921588902 0.143840582137 -0.177468741334 TCL: atom 1: phi = -0.422536851044 TCL: Center of mass = 4.50063679357 0.143747598625 -0.177432758994 TCL: atom 1: phi = -0.422362964029 TCL: Center of mass = 4.50200188813 0.143687211369 -0.17735824635 TCL: atom 1: phi = -0.422537946214 TCL: Center of mass = 4.50333878654 0.143632696063 -0.177286384172 TCL: atom 1: phi = -0.422755494976 TCL: Center of mass = 4.50466279838 0.143599086874 -0.177193123779 TCL: atom 1: phi = -0.423343857203 TCL: Center of mass = 4.50598056214 0.143556117287 -0.177090620358 TCL: atom 1: phi = -0.423825428974 TCL: Center of mass = 4.50732887118 0.143502284895 -0.176979718198 TCL: atom 1: phi = -0.424512276464 TCL: Center of mass = 4.5087127869 0.14341025269 -0.176830903813 TCL: atom 1: phi = -0.424986369927 TCL: Center of mass = 4.51013369087 0.14330414842 -0.176642237605 TCL: atom 1: phi = -0.425572372875 TCL: Center of mass = 4.51156233227 0.143164312107 -0.176429050315 TCL: atom 1: phi = -0.425913892436 TCL: Center of mass = 4.51301072278 0.14302584791 -0.176167739285 TCL: atom 1: phi = -0.426371243643 TCL: Center of mass = 4.51444175097 0.142893767965 -0.175859214827 TCL: atom 1: phi = -0.426741097455 TCL: Center of mass = 4.51588354233 0.142766673983 -0.1755319956 TCL: atom 1: phi = -0.427309157325 TCL: Center of mass = 4.51731833798 0.142643406408 -0.175189345625 TCL: atom 1: phi = -0.427780506243 TCL: Center of mass = 4.51877495357 0.142529357377 -0.17484037993 TCL: atom 1: phi = -0.428437119007 TCL: Center of mass = 4.52026409957 0.142402745711 -0.174492375832 TCL: atom 1: phi = -0.428861384316 TCL: Center of mass = 4.52181567753 0.142263585799 -0.174167731211 TCL: atom 1: phi = -0.429305439132 TCL: Center of mass = 4.52341713789 0.142091961491 -0.173864307265 TCL: atom 1: phi = -0.429470795396 TCL: Center of mass = 4.52504492501 0.141912927422 -0.173567752635 TCL: atom 1: phi = -0.429614087102 TCL: Center of mass = 4.52668416694 0.141708187764 -0.173259718233 TCL: atom 1: phi = -0.429475709695 TCL: Center of mass = 4.52832438218 0.141495329521 -0.172951276341 TCL: atom 1: phi = -0.429447882775 TCL: Center of mass = 4.52996146843 0.141276471754 -0.172629556199 TCL: atom 1: phi = -0.429290948753 TCL: Center of mass = 4.53156600197 0.141110170641 -0.172318817803 TCL: atom 1: phi = -0.429376145601 TCL: Center of mass = 4.53313165595 0.140981167168 -0.172034231143 TCL: atom 1: phi = -0.429421289575 TCL: Center of mass = 4.53467273164 0.140884546124 -0.17177987351 TCL: atom 1: phi = -0.429717180055 TCL: Center of mass = 4.53620044092 0.140810769141 -0.171565124949 TCL: atom 1: phi = -0.429922409429 TCL: Center of mass = 4.53770250939 0.140774791712 -0.171398475449 TCL: atom 1: phi = -0.4301797065 TCL: Center of mass = 4.53918775289 0.140734509287 -0.171266145693 TCL: atom 1: phi = -0.430224317345 TCL: Center of mass = 4.54066133474 0.140691001536 -0.171167775591 TCL: atom 1: phi = -0.430285614887 TCL: Center of mass = 4.54212566841 0.140622034109 -0.171091773002 TCL: atom 1: phi = -0.43012701933 TCL: Center of mass = 4.54356802907 0.140553284449 -0.171000336844 TCL: atom 1: phi = -0.430001414077 TCL: Center of mass = 4.54501311007 0.140441550739 -0.170887873051 TCL: atom 1: phi = -0.4297795042 TCL: Center of mass = 4.54645706058 0.140308461181 -0.170752953117 TCL: atom 1: phi = -0.42974643368 TCL: Center of mass = 4.54790822515 0.140119890426 -0.170607419048 TCL: atom 1: phi = -0.429624888108 TCL: Center of mass = 4.54936079609 0.139910471764 -0.170447654453 TCL: atom 1: phi = -0.429701525318 TCL: Center of mass = 4.5508374516 0.13968561139 -0.170286823525 TCL: atom 1: phi = -0.429723745521 TCL: Center of mass = 4.55230773297 0.139463321497 -0.170119735962 TCL: atom 1: phi = -0.429894499954 TCL: Center of mass = 4.55381024353 0.13920703039 -0.169969240546 TCL: atom 1: phi = -0.429929972562 TCL: Center of mass = 4.55531466193 0.138966879567 -0.169840863965 TCL: atom 1: phi = -0.430003044689 TCL: Center of mass = 4.55682999476 0.138730278728 -0.169713859685 TCL: atom 1: phi = -0.429983898183 TCL: Center of mass = 4.55835529214 0.138484801787 -0.169576751377 TCL: atom 1: phi = -0.430082925374 TCL: Center of mass = 4.55993759582 0.138250252595 -0.169429586854 TCL: atom 1: phi = -0.430202473716 TCL: Center of mass = 4.56152665112 0.138022872716 -0.169244570711 TCL: atom 1: phi = -0.430552140397 TCL: Center of mass = 4.56315365319 0.137768204131 -0.169051886474 TCL: atom 1: phi = -0.430911097239 TCL: Center of mass = 4.56479015843 0.13750722209 -0.168859856042 TCL: atom 1: phi = -0.431503377951 TCL: Center of mass = 4.56643043386 0.137248337509 -0.168674009967 TCL: atom 1: phi = -0.432057702932 TCL: Center of mass = 4.56805408672 0.137029513956 -0.168511982042 TCL: atom 1: phi = -0.432744274044 TCL: Center of mass = 4.56966264176 0.136805596499 -0.168373893772 TCL: atom 1: phi = -0.43329378734 TCL: Center of mass = 4.57125166502 0.13661267975 -0.168248275376 TCL: atom 1: phi = -0.433881264682 TCL: Center of mass = 4.5728071669 0.136425584452 -0.168164927556 TCL: atom 1: phi = -0.434297950361 TCL: Center of mass = 4.57434463932 0.136261367998 -0.168095865241 TCL: atom 1: phi = -0.434735179138 TCL: Center of mass = 4.57587652544 0.136048377656 -0.168038205489 TCL: atom 1: phi = -0.434991681189 TCL: Center of mass = 4.57741009904 0.135824826463 -0.167975107881 TCL: atom 1: phi = -0.435182428174 TCL: Center of mass = 4.57898597526 0.135541279857 -0.167877182156 TCL: atom 1: phi = -0.435181543868 TCL: Center of mass = 4.58057751123 0.135209267242 -0.167748029042 TCL: atom 1: phi = -0.435198724274 TCL: Center of mass = 4.58217726209 0.134825673434 -0.167598448986 TCL: atom 1: phi = -0.435085634703 TCL: Center of mass = 4.58379344241 0.134407465311 -0.167405766419 TCL: atom 1: phi = -0.435044589907 TCL: Center of mass = 4.58538131636 0.133958080149 -0.167194103556 TCL: atom 1: phi = -0.434866140193 TCL: Center of mass = 4.58697187253 0.133516922871 -0.166970179204 TCL: atom 1: phi = -0.434670880072 TCL: Center of mass = 4.58854055091 0.133082514851 -0.166744561889 TCL: atom 1: phi = -0.434294826002 TCL: Center of mass = 4.59009433277 0.132663610355 -0.166518358536 TCL: atom 1: phi = -0.433982987365 TCL: Center of mass = 4.59166307337 0.132248403357 -0.166270006466 TCL: atom 1: phi = -0.433541209239 TCL: Center of mass = 4.59324865513 0.131858668433 -0.165993451229 TCL: atom 1: phi = -0.433235344749 TCL: Center of mass = 4.59487224621 0.131465314906 -0.165707916908 TCL: atom 1: phi = -0.432819699638 TCL: Center of mass = 4.59652535897 0.131099855281 -0.165431440904 TCL: atom 1: phi = -0.432630017961 WRITING COORDINATES TO DCD FILE AT STEP 3700 WRITING COORDINATES TO RESTART FILE AT STEP 3700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3700 FINISHED WRITING RESTART VELOCITIES TIMING: 3700 CPU: 197.207, 0.0530719/step Wall: 239.213, 0.063162/step, 0.285983 hours remaining, 13604 kB of memory in use. ENERGY: 3700 3386.1107 2409.0152 386.2557 38.5697 -44739.1225 4037.4208 0.0000 0.0000 9637.8978 -24843.8525 285.7065 -24700.2188 -24699.7235 285.3926 695.8251 -1662.8291 125000.0000 -1534.1769 -1532.2858 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700 TCL: Center of mass = 4.59821456778 0.130742713495 -0.165166337666 TCL: atom 1: phi = -0.432421378992 TCL: Center of mass = 4.59993241141 0.130447968513 -0.164905122008 TCL: atom 1: phi = -0.43244107243 TCL: Center of mass = 4.60166957108 0.130182331618 -0.164663449514 TCL: atom 1: phi = -0.432408845642 TCL: Center of mass = 4.6033893482 0.130002877732 -0.16442938791 TCL: atom 1: phi = -0.432598727539 TCL: Center of mass = 4.60508565888 0.129883088482 -0.164223257849 TCL: atom 1: phi = -0.432695875974 TCL: Center of mass = 4.60675750584 0.129833361467 -0.164052365539 TCL: atom 1: phi = -0.433011021342 TCL: Center of mass = 4.60841582498 0.129802325544 -0.163904609461 TCL: atom 1: phi = -0.433272634248 TCL: Center of mass = 4.6100381884 0.12982998579 -0.163790196241 TCL: atom 1: phi = -0.433787631218 TCL: Center of mass = 4.61165960061 0.129854408707 -0.163679899893 TCL: atom 1: phi = -0.434230962807 TCL: Center of mass = 4.61329483421 0.129893808824 -0.163553397742 TCL: atom 1: phi = -0.434937039348 TCL: Center of mass = 4.61495234617 0.12993139241 -0.163420686161 TCL: atom 1: phi = -0.435573496962 TCL: Center of mass = 4.61664701696 0.129937227968 -0.163256139117 TCL: atom 1: phi = -0.436389020139 TCL: Center of mass = 4.61835645276 0.129922743971 -0.163073251704 TCL: atom 1: phi = -0.437084806257 TCL: Center of mass = 4.62006717695 0.129886261429 -0.162869281943 TCL: atom 1: phi = -0.437921245733 TCL: Center of mass = 4.62177897789 0.129813806113 -0.162651326981 TCL: atom 1: phi = -0.438605286302 TCL: Center of mass = 4.62342538001 0.129746191513 -0.162399990094 TCL: atom 1: phi = -0.439339441693 TCL: Center of mass = 4.62504020564 0.129664141106 -0.162112981457 TCL: atom 1: phi = -0.439816961765 TCL: Center of mass = 4.6266091708 0.129597624235 -0.161807909246 TCL: atom 1: phi = -0.44031114015 TCL: Center of mass = 4.62817040087 0.129500621447 -0.161492808333 TCL: atom 1: phi = -0.44060482989 TCL: Center of mass = 4.62972836496 0.129382546818 -0.161182983371 TCL: atom 1: phi = -0.440972362356 TCL: Center of mass = 4.63130005543 0.129231987712 -0.160877992453 TCL: atom 1: phi = -0.441245625979 TCL: Center of mass = 4.63289986415 0.129093730043 -0.160581319911 TCL: atom 1: phi = -0.441651841509 TCL: Center of mass = 4.63452570053 0.128940803046 -0.160274157062 TCL: atom 1: phi = -0.441917335355 TCL: Center of mass = 4.63616651605 0.128820228498 -0.159947810843 TCL: atom 1: phi = -0.442259782364 TCL: Center of mass = 4.63781219643 0.128718986209 -0.159618134899 TCL: atom 1: phi = -0.442511429763 TCL: Center of mass = 4.63943335178 0.12869009443 -0.159291822563 TCL: atom 1: phi = -0.442784072267 TCL: Center of mass = 4.64104223332 0.128693945699 -0.158972492047 TCL: atom 1: phi = -0.442772772968 TCL: Center of mass = 4.64263408968 0.128739580759 -0.158673084635 TCL: atom 1: phi = -0.442724505411 TCL: Center of mass = 4.64420241674 0.128812950795 -0.158393051417 TCL: atom 1: phi = -0.442484175773 TCL: Center of mass = 4.6457612594 0.128915705763 -0.158163604177 TCL: atom 1: phi = -0.442253837489 TCL: Center of mass = 4.64734133431 0.12902483188 -0.157941472134 TCL: atom 1: phi = -0.441905786938 TCL: Center of mass = 4.64894732907 0.129147258256 -0.157723710737 TCL: atom 1: phi = -0.441681219638 TCL: Center of mass = 4.65056575606 0.129237982035 -0.157499330973 TCL: atom 1: phi = -0.441367984887 TCL: Center of mass = 4.65220454011 0.129337636094 -0.157265548218 TCL: atom 1: phi = -0.441162713552 TCL: Center of mass = 4.65384283549 0.129396222763 -0.15701025471 TCL: atom 1: phi = -0.440890729049 TCL: Center of mass = 4.65546798092 0.129436042083 -0.156752480608 TCL: atom 1: phi = -0.440760218256 TCL: Center of mass = 4.6570776709 0.129432816303 -0.15647495149 TCL: atom 1: phi = -0.440523325351 TCL: Center of mass = 4.65865561628 0.129383096436 -0.156195170655 TCL: atom 1: phi = -0.440338865097 TCL: Center of mass = 4.66021804753 0.129297164225 -0.155941034354 TCL: atom 1: phi = -0.440029550068 TCL: Center of mass = 4.66176944557 0.129208612837 -0.155717116918 TCL: atom 1: phi = -0.439795750838 TCL: Center of mass = 4.66333019205 0.129092114874 -0.155511658608 TCL: atom 1: phi = -0.439416661866 TCL: Center of mass = 4.66487428641 0.128984669804 -0.155332278622 TCL: atom 1: phi = -0.439126917639 TCL: Center of mass = 4.66642138353 0.128868524478 -0.155154224902 TCL: atom 1: phi = -0.438722780367 TCL: Center of mass = 4.66797480913 0.128768236573 -0.154981100338 TCL: atom 1: phi = -0.438489210881 TCL: Center of mass = 4.6695118677 0.12864275678 -0.15479519944 TCL: atom 1: phi = -0.438225147045 TCL: Center of mass = 4.67102477983 0.128536718169 -0.154601786177 TCL: atom 1: phi = -0.438080093061 TCL: Center of mass = 4.67253852477 0.128418384226 -0.154421003723 TCL: atom 1: phi = -0.437803856243 TCL: Center of mass = 4.67402810626 0.128329788033 -0.154251725344 TCL: atom 1: phi = -0.437603604492 TCL: Center of mass = 4.6755039866 0.128234689499 -0.154068289428 TCL: atom 1: phi = -0.437351109111 TCL: Center of mass = 4.676968365 0.128182746487 -0.153896222181 TCL: atom 1: phi = -0.43723785869 TCL: Center of mass = 4.67842026216 0.128147339261 -0.153744392429 TCL: atom 1: phi = -0.437038618776 TCL: Center of mass = 4.67985990015 0.128168044488 -0.15361951361 TCL: atom 1: phi = -0.436950251928 TCL: Center of mass = 4.68129160047 0.128196719893 -0.153501221634 TCL: atom 1: phi = -0.436821978954 TCL: Center of mass = 4.68271718668 0.128268721497 -0.153382821976 TCL: atom 1: phi = -0.436875260265 TCL: Center of mass = 4.68415143614 0.128332343847 -0.153230993072 TCL: atom 1: phi = -0.436933253038 TCL: Center of mass = 4.68558575249 0.128387931893 -0.153088008168 TCL: atom 1: phi = -0.437164686126 TCL: Center of mass = 4.68705045705 0.128420478186 -0.152917061866 TCL: atom 1: phi = -0.437273187688 TCL: Center of mass = 4.6885461039 0.128466395449 -0.152737878504 TCL: atom 1: phi = -0.437485953585 TCL: Center of mass = 4.69005836052 0.128462112813 -0.152546736619 TCL: atom 1: phi = -0.437503547095 TCL: Center of mass = 4.69158363197 0.128448309173 -0.152378340018 TCL: atom 1: phi = -0.437559215604 TCL: Center of mass = 4.69310820497 0.128419634062 -0.152246294238 TCL: atom 1: phi = -0.437488794364 TCL: Center of mass = 4.6946147488 0.128400088217 -0.152158236979 TCL: atom 1: phi = -0.437467821728 TCL: Center of mass = 4.69612647176 0.128364933546 -0.15207578647 TCL: atom 1: phi = -0.437367890179 TCL: Center of mass = 4.69764496596 0.128361700923 -0.152035186021 TCL: atom 1: phi = -0.437430578121 TCL: Center of mass = 4.69917267531 0.128332002477 -0.152017397687 TCL: atom 1: phi = -0.437447461065 TCL: Center of mass = 4.70070433842 0.128326354192 -0.152006217998 TCL: atom 1: phi = -0.437620137774 TCL: Center of mass = 4.70222341262 0.128314435619 -0.151975840812 TCL: atom 1: phi = -0.437741581382 TCL: Center of mass = 4.703752926 0.12830916811 -0.151953316958 TCL: atom 1: phi = -0.438041047344 TCL: Center of mass = 4.70528753272 0.128275385664 -0.151923802321 TCL: atom 1: phi = -0.438215912144 TCL: Center of mass = 4.70682168884 0.128252652738 -0.151896829029 TCL: atom 1: phi = -0.438493937488 TCL: Center of mass = 4.70837716943 0.12822421686 -0.151865773529 TCL: atom 1: phi = -0.438706406814 TCL: Center of mass = 4.7099196598 0.128253152086 -0.151834077078 TCL: atom 1: phi = -0.439027642343 TCL: Center of mass = 4.71144677858 0.128293701306 -0.151802612198 TCL: atom 1: phi = -0.439221247614 TCL: Center of mass = 4.71296006205 0.128383770749 -0.151790128547 TCL: atom 1: phi = -0.439487112228 TCL: Center of mass = 4.71444322702 0.128458454441 -0.151758902609 TCL: atom 1: phi = -0.439722222147 TCL: Center of mass = 4.71590226535 0.128560856651 -0.151727626099 TCL: atom 1: phi = -0.440123669749 TCL: Center of mass = 4.71733049979 0.128636642473 -0.151670043701 TCL: atom 1: phi = -0.440513608992 TCL: Center of mass = 4.71876563033 0.128688550486 -0.151596151866 TCL: atom 1: phi = -0.440963015631 TCL: Center of mass = 4.72021862462 0.128696165906 -0.151484711946 TCL: atom 1: phi = -0.441283787943 TCL: Center of mass = 4.72167991 0.128673250535 -0.151364090656 TCL: atom 1: phi = -0.441620770219 TCL: Center of mass = 4.7231730502 0.128600563212 -0.151217156889 TCL: atom 1: phi = -0.441809837067 TCL: Center of mass = 4.72468222542 0.128528188434 -0.151064743609 TCL: atom 1: phi = -0.442008350924 TCL: Center of mass = 4.72619264477 0.128436882909 -0.150915236509 TCL: atom 1: phi = -0.442136120987 TCL: Center of mass = 4.72767986323 0.128338604119 -0.150769355146 TCL: atom 1: phi = -0.442336219365 TCL: Center of mass = 4.7291338894 0.128253763257 -0.150637838512 TCL: atom 1: phi = -0.442508077751 TCL: Center of mass = 4.73056178086 0.128193917163 -0.150533117954 TCL: atom 1: phi = -0.442783099065 TCL: Center of mass = 4.73197506736 0.128111401392 -0.150436585019 TCL: atom 1: phi = -0.443029838364 TCL: Center of mass = 4.73338866493 0.128016956209 -0.150362522513 TCL: atom 1: phi = -0.44335231646 TCL: Center of mass = 4.73480878276 0.127891641221 -0.150274642947 TCL: atom 1: phi = -0.443559141632 TCL: Center of mass = 4.73625225353 0.127762465362 -0.150204828941 TCL: atom 1: phi = -0.443755503896 TCL: Center of mass = 4.73773351402 0.127601065615 -0.150120852414 TCL: atom 1: phi = -0.443857343937 TCL: Center of mass = 4.73925600803 0.127454286332 -0.150018834355 TCL: atom 1: phi = -0.443953864973 TCL: Center of mass = 4.74081223281 0.127310727202 -0.14988988395 TCL: atom 1: phi = -0.443923766107 TCL: Center of mass = 4.7423515465 0.127204066521 -0.149747448814 TCL: atom 1: phi = -0.443955897194 TCL: Center of mass = 4.74386813831 0.127124600487 -0.149588691383 TCL: atom 1: phi = -0.443918918607 TCL: Center of mass = 4.74535721605 0.127073922799 -0.149429254065 TCL: atom 1: phi = -0.443993591413 TCL: Center of mass = 4.7468273682 0.127027168988 -0.149258851267 TCL: atom 1: phi = -0.443985208418 TCL: Center of mass = 4.74826550583 0.126985049384 -0.149116648297 TCL: atom 1: phi = -0.444013710875 TCL: Center of mass = 4.749690341 0.126924230448 -0.148952662755 TCL: atom 1: phi = -0.443856019109 TCL: Center of mass = 4.75112251475 0.126846662755 -0.148760367486 TCL: atom 1: phi = -0.443671484802 WRITING COORDINATES TO DCD FILE AT STEP 3800 WRITING COORDINATES TO RESTART FILE AT STEP 3800 FINISHED WRITING RESTART COORDINATES TIMING: 3800 CPU: 202.508, 0.0530119/step Wall: 245.533, 0.0632016/step, 0.284407 hours remaining, 13604 kB of memory in use. ENERGY: 3800 3376.4303 2391.3848 369.5448 38.9060 -44532.4129 3990.3839 0.0000 0.0000 9590.7420 -24775.0212 284.3086 -24631.0389 -24633.8806 284.6006 526.0758 -1719.2093 125000.0000 -1854.2756 -1851.3312 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800 WRITING VELOCITIES TO RESTART FILE AT STEP 3800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 4.75258443123 0.126750287543 -0.148529987112 TCL: atom 1: phi = -0.443300107628 TCL: Center of mass = 4.75405771565 0.126632609459 -0.148280401501 TCL: atom 1: phi = -0.44286356788 TCL: Center of mass = 4.7555549745 0.126504403742 -0.147993157865 TCL: atom 1: phi = -0.442242057968 TCL: Center of mass = 4.75708144842 0.126367398541 -0.147684651076 TCL: atom 1: phi = -0.441733210126 TCL: Center of mass = 4.75861555205 0.126244257795 -0.14735852287 TCL: atom 1: phi = -0.441170087883 TCL: Center of mass = 4.76013938075 0.126131961463 -0.147056094123 TCL: atom 1: phi = -0.440800757143 TCL: Center of mass = 4.76161572074 0.126016335127 -0.146751368335 TCL: atom 1: phi = -0.440413314087 TCL: Center of mass = 4.76305289046 0.125894475066 -0.146492977384 TCL: atom 1: phi = -0.440217042586 TCL: Center of mass = 4.76444542964 0.125766595093 -0.146265148429 TCL: atom 1: phi = -0.439955772579 TCL: Center of mass = 4.76579678309 0.125614434431 -0.146084937067 TCL: atom 1: phi = -0.439810395815 TCL: Center of mass = 4.76711245063 0.125445056691 -0.145934357197 TCL: atom 1: phi = -0.43953095866 TCL: Center of mass = 4.76840497239 0.125244152229 -0.145801849747 TCL: atom 1: phi = -0.439343158668 TCL: Center of mass = 4.76969151695 0.125022311188 -0.145682040771 TCL: atom 1: phi = -0.439063021394 TCL: Center of mass = 4.7709805789 0.124797323459 -0.145581361596 TCL: atom 1: phi = -0.438887219199 TCL: Center of mass = 4.77228907738 0.124581949218 -0.145485294078 TCL: atom 1: phi = -0.43871043683 TCL: Center of mass = 4.77359524573 0.124408027217 -0.14539531033 TCL: atom 1: phi = -0.438658288918 TCL: Center of mass = 4.77487028266 0.124253983449 -0.145314773618 TCL: atom 1: phi = -0.438527458199 TCL: Center of mass = 4.77612326077 0.124130121668 -0.145246747074 TCL: atom 1: phi = -0.438535666163 TCL: Center of mass = 4.7773645551 0.124022327571 -0.145208378267 TCL: atom 1: phi = -0.43837640334 TCL: Center of mass = 4.77859744471 0.123929922265 -0.145187588265 TCL: atom 1: phi = -0.438283257686 TCL: Center of mass = 4.77985208047 0.123827653728 -0.14516789833 TCL: atom 1: phi = -0.437932760441 TCL: Center of mass = 4.78110990369 0.123694620268 -0.145142643772 TCL: atom 1: phi = -0.437525855931 TCL: Center of mass = 4.78239551823 0.123567364103 -0.145070329055 TCL: atom 1: phi = -0.436871434057 TCL: Center of mass = 4.78370402085 0.123424741374 -0.144933427922 TCL: atom 1: phi = -0.436310329421 TCL: Center of mass = 4.78504405166 0.123280174638 -0.144720907671 TCL: atom 1: phi = -0.435674772428 TCL: Center of mass = 4.78641479026 0.123113689845 -0.144453057748 TCL: atom 1: phi = -0.435316559121 TCL: Center of mass = 4.78780575033 0.122948842498 -0.144118471844 TCL: atom 1: phi = -0.434993369907 TCL: Center of mass = 4.78919035073 0.122782178465 -0.143772388036 TCL: atom 1: phi = -0.434934969012 TCL: Center of mass = 4.79056844768 0.122615805438 -0.143423822287 TCL: atom 1: phi = -0.434945960837 TCL: Center of mass = 4.79191145696 0.122465035584 -0.143080485932 TCL: atom 1: phi = -0.435151837744 TCL: Center of mass = 4.79323191779 0.12233664875 -0.142730265594 TCL: atom 1: phi = -0.435308931701 TCL: Center of mass = 4.79450091658 0.122235228042 -0.142383186615 TCL: atom 1: phi = -0.435614858735 TCL: Center of mass = 4.79573799693 0.122136722161 -0.142030092978 TCL: atom 1: phi = -0.435900120955 TCL: Center of mass = 4.79691745691 0.122031857623 -0.141700818705 TCL: atom 1: phi = -0.436322702747 TCL: Center of mass = 4.79808107103 0.121935015057 -0.141373794824 TCL: atom 1: phi = -0.436811437656 TCL: Center of mass = 4.79921437032 0.121839032945 -0.141053957589 TCL: atom 1: phi = -0.437568303684 TCL: Center of mass = 4.80034564236 0.121727332022 -0.140735255791 TCL: atom 1: phi = -0.438447709739 TCL: Center of mass = 4.80145873034 0.12161866704 -0.140464607702 TCL: atom 1: phi = -0.439603798293 TCL: Center of mass = 4.80258199149 0.121488941161 -0.140217896474 TCL: atom 1: phi = -0.440723515945 TCL: Center of mass = 4.80367139738 0.121344717738 -0.140015863535 TCL: atom 1: phi = -0.441897860211 TCL: Center of mass = 4.80473893204 0.121176644213 -0.139852243466 TCL: atom 1: phi = -0.442902381132 TCL: Center of mass = 4.80577785694 0.121011140398 -0.139758685898 TCL: atom 1: phi = -0.443758235276 TCL: Center of mass = 4.80682749425 0.120846154976 -0.13968922169 TCL: atom 1: phi = -0.444418724663 TCL: Center of mass = 4.80785358576 0.12068365028 -0.139655677638 TCL: atom 1: phi = -0.444976765003 TCL: Center of mass = 4.8088987855 0.120529838877 -0.139626708406 TCL: atom 1: phi = -0.445297498308 TCL: Center of mass = 4.80994399024 0.12035687677 -0.139605695803 TCL: atom 1: phi = -0.445588044679 TCL: Center of mass = 4.81102292047 0.120161039659 -0.139561093791 TCL: atom 1: phi = -0.445755528242 TCL: Center of mass = 4.81212298274 0.119953704064 -0.139496618756 TCL: atom 1: phi = -0.44589144431 TCL: Center of mass = 4.81327942662 0.119734425614 -0.13941869915 TCL: atom 1: phi = -0.445879039856 TCL: Center of mass = 4.81448893408 0.119519241214 -0.139323112315 TCL: atom 1: phi = -0.445804222999 TCL: Center of mass = 4.81573690094 0.119272759248 -0.139218089087 TCL: atom 1: phi = -0.445473561728 TCL: Center of mass = 4.81699234433 0.119039248615 -0.139124121295 TCL: atom 1: phi = -0.444955000154 TCL: Center of mass = 4.81824846759 0.11880978762 -0.139028601627 TCL: atom 1: phi = -0.444209911019 TCL: Center of mass = 4.81944120438 0.11859918063 -0.138944201557 TCL: atom 1: phi = -0.44330226202 TCL: Center of mass = 4.82059583631 0.1184068918 -0.138874098252 TCL: atom 1: phi = -0.442314632885 TCL: Center of mass = 4.82170554622 0.118222242033 -0.138826552194 TCL: atom 1: phi = -0.44138329356 TCL: Center of mass = 4.82279661464 0.118018283886 -0.138775905348 TCL: atom 1: phi = -0.44056256474 TCL: Center of mass = 4.82386619824 0.117801537274 -0.138737114898 TCL: atom 1: phi = -0.439942428358 TCL: Center of mass = 4.82491720426 0.117555734842 -0.138704958154 TCL: atom 1: phi = -0.439407634944 TCL: Center of mass = 4.82596314217 0.117277161082 -0.138670213335 TCL: atom 1: phi = -0.438983697445 TCL: Center of mass = 4.8270225482 0.116953299064 -0.138616986582 TCL: atom 1: phi = -0.438615488488 TCL: Center of mass = 4.82804308436 0.116628721087 -0.138574925979 TCL: atom 1: phi = -0.438247113982 TCL: Center of mass = 4.82905610002 0.116299193592 -0.138506439896 TCL: atom 1: phi = -0.437808368352 TCL: Center of mass = 4.83003021951 0.115972426647 -0.138457058873 TCL: atom 1: phi = -0.437460793084 TCL: Center of mass = 4.83100524806 0.115670156697 -0.138402342019 TCL: atom 1: phi = -0.437077197479 TCL: Center of mass = 4.83195527897 0.115395946543 -0.138354050674 TCL: atom 1: phi = -0.436847192621 TCL: Center of mass = 4.83290585593 0.115130113004 -0.138292665496 TCL: atom 1: phi = -0.436671327298 TCL: Center of mass = 4.83386102016 0.114870152494 -0.138234305822 TCL: atom 1: phi = -0.43669152223 TCL: Center of mass = 4.83485823888 0.114597027746 -0.138145812378 TCL: atom 1: phi = -0.436751397949 TCL: Center of mass = 4.83589684526 0.114342854484 -0.138045374527 TCL: atom 1: phi = -0.436960644834 TCL: Center of mass = 4.83698434126 0.114099945925 -0.13793027722 TCL: atom 1: phi = -0.437124154432 TCL: Center of mass = 4.83811446879 0.113858309794 -0.137801630866 TCL: atom 1: phi = -0.437311856515 TCL: Center of mass = 4.83927880903 0.113634567494 -0.137655985702 TCL: atom 1: phi = -0.437391352894 TCL: Center of mass = 4.84047020811 0.113441925801 -0.137528284001 TCL: atom 1: phi = -0.437446707205 TCL: Center of mass = 4.84168521798 0.113265604666 -0.137391575408 TCL: atom 1: phi = -0.437410056018 TCL: Center of mass = 4.84288074383 0.113122266027 -0.137259352886 TCL: atom 1: phi = -0.437413636742 TCL: Center of mass = 4.84406363294 0.112992921763 -0.137153193306 TCL: atom 1: phi = -0.437384225618 TCL: Center of mass = 4.84522292687 0.112889838672 -0.137079932654 TCL: atom 1: phi = -0.437455088538 TCL: Center of mass = 4.84637404856 0.112759718721 -0.137037862219 TCL: atom 1: phi = -0.437497374531 TCL: Center of mass = 4.8475301031 0.112622253355 -0.137025855447 TCL: atom 1: phi = -0.43757181543 TCL: Center of mass = 4.84870556541 0.112460272108 -0.137011474094 TCL: atom 1: phi = -0.437440862196 TCL: Center of mass = 4.84988464235 0.112288503958 -0.137009295868 TCL: atom 1: phi = -0.437197743659 TCL: Center of mass = 4.85107584785 0.112095575931 -0.136988228334 TCL: atom 1: phi = -0.436676809554 TCL: Center of mass = 4.85226971661 0.111894004124 -0.136955228887 TCL: atom 1: phi = -0.436074227551 TCL: Center of mass = 4.85344280182 0.111688807881 -0.136914975936 TCL: atom 1: phi = -0.435169624288 TCL: Center of mass = 4.85461654426 0.111472109128 -0.136893231508 TCL: atom 1: phi = -0.434222344649 TCL: Center of mass = 4.85578741441 0.111256399714 -0.136888149564 TCL: atom 1: phi = -0.433084036918 TCL: Center of mass = 4.85696108585 0.1110360181 -0.136896691758 TCL: atom 1: phi = -0.432079563817 TCL: Center of mass = 4.85814348142 0.11079563846 -0.136907976357 TCL: atom 1: phi = -0.430990867141 TCL: Center of mass = 4.85933498634 0.110542785528 -0.136941878709 TCL: atom 1: phi = -0.430095398641 TCL: Center of mass = 4.86055789291 0.110254949059 -0.13693780828 TCL: atom 1: phi = -0.429101310087 TCL: Center of mass = 4.86181222561 0.10996785781 -0.136908266942 TCL: atom 1: phi = -0.428292257478 TCL: Center of mass = 4.86311112901 0.109670850664 -0.136820920703 TCL: atom 1: phi = -0.427335508183 TCL: Center of mass = 4.86447297291 0.109393625263 -0.136707203918 TCL: atom 1: phi = -0.426528813814 TCL: Center of mass = 4.86588299254 0.109119811502 -0.136554911644 TCL: atom 1: phi = -0.425672614835 TCL: Center of mass = 4.86735964192 0.108886398629 -0.136423833646 TCL: atom 1: phi = -0.425063544063 TCL: Center of mass = 4.86886925007 0.108666168524 -0.136303617331 TCL: atom 1: phi = -0.424509439462 TCL: Center of mass = 4.87039237919 0.108476363254 -0.136233403697 TCL: atom 1: phi = -0.424214597345 TCL: Center of mass = 4.8719359567 0.108300935435 -0.136192985176 TCL: atom 1: phi = -0.424027827766 TCL: Center of mass = 4.87347625578 0.108146940723 -0.136211888832 TCL: atom 1: phi = -0.424194933954 WRITING COORDINATES TO DCD FILE AT STEP 3900 WRITING COORDINATES TO RESTART FILE AT STEP 3900 FINISHED WRITING RESTART COORDINATES TIMING: 3900 CPU: 207.827, 0.0531919/step Wall: 251.855, 0.0632236/step, 0.28275 hours remaining, 13604 kB of memory in use. ENERGY: 3900 3366.8481 2375.3453 377.8087 35.7238 -44633.4724 4026.9858 0.0000 0.0000 9652.4135 -24798.3472 286.1368 -24655.9934 -24652.5618 285.7565 603.1460 -1574.9400 125000.0000 -1764.2585 -1764.3816 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900 WRITING VELOCITIES TO RESTART FILE AT STEP 3900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 4.87499836183 0.107997692218 -0.136226472455 TCL: atom 1: phi = -0.424441708191 TCL: Center of mass = 4.87650130847 0.107820505502 -0.136253025864 TCL: atom 1: phi = -0.424874424196 TCL: Center of mass = 4.87800934369 0.107621330612 -0.13627615404 TCL: atom 1: phi = -0.425219357522 TCL: Center of mass = 4.87953679607 0.107417900497 -0.136302618151 TCL: atom 1: phi = -0.425648590698 TCL: Center of mass = 4.88110458433 0.107177095074 -0.136316811101 TCL: atom 1: phi = -0.425895892605 TCL: Center of mass = 4.88270063833 0.106938283015 -0.136345298035 TCL: atom 1: phi = -0.426208166862 TCL: Center of mass = 4.88431527875 0.10668960529 -0.136370393688 TCL: atom 1: phi = -0.426438381283 TCL: Center of mass = 4.8859407898 0.106454507148 -0.136418084454 TCL: atom 1: phi = -0.426812646968 TCL: Center of mass = 4.88755134704 0.106220284977 -0.136505294898 TCL: atom 1: phi = -0.427152159752 TCL: Center of mass = 4.8891220909 0.105997187948 -0.13661080369 TCL: atom 1: phi = -0.427640943587 TCL: Center of mass = 4.89066836998 0.10577348216 -0.136746997323 TCL: atom 1: phi = -0.42808556208 TCL: Center of mass = 4.89215964449 0.105543235397 -0.136883000186 TCL: atom 1: phi = -0.428568507109 TCL: Center of mass = 4.89362233938 0.105278503812 -0.136995251783 TCL: atom 1: phi = -0.428851041991 TCL: Center of mass = 4.89509546176 0.105005207439 -0.137091435685 TCL: atom 1: phi = -0.429058847403 TCL: Center of mass = 4.89658405072 0.104744300368 -0.137120538787 TCL: atom 1: phi = -0.429041838423 TCL: Center of mass = 4.89809969104 0.104474137114 -0.13711795924 TCL: atom 1: phi = -0.428972041494 TCL: Center of mass = 4.89966021929 0.104207272504 -0.13708275047 TCL: atom 1: phi = -0.428748309776 TCL: Center of mass = 4.90124684553 0.103974380234 -0.137038756715 TCL: atom 1: phi = -0.428607837199 TCL: Center of mass = 4.90286889925 0.103732180906 -0.136999138277 TCL: atom 1: phi = -0.428394499476 TCL: Center of mass = 4.90449637433 0.10347091114 -0.136955877565 TCL: atom 1: phi = -0.428268587894 TCL: Center of mass = 4.90611001826 0.103223479822 -0.136911892756 TCL: atom 1: phi = -0.428053743009 TCL: Center of mass = 4.90768871442 0.103007647559 -0.136871480072 TCL: atom 1: phi = -0.427962559855 TCL: Center of mass = 4.90922806629 0.10278806376 -0.136826059307 TCL: atom 1: phi = -0.427737565077 TCL: Center of mass = 4.91072020221 0.102581592508 -0.1367776306 TCL: atom 1: phi = -0.427526637339 TCL: Center of mass = 4.91219838858 0.10234346387 -0.136724604746 TCL: atom 1: phi = -0.427102571504 TCL: Center of mass = 4.9136639287 0.102106856799 -0.136674645421 TCL: atom 1: phi = -0.426733278775 TCL: Center of mass = 4.91514640568 0.101840487824 -0.136635788166 TCL: atom 1: phi = -0.4262068806 TCL: Center of mass = 4.91663990604 0.101574674796 -0.136586294114 TCL: atom 1: phi = -0.425806536969 TCL: Center of mass = 4.91818061434 0.101284197249 -0.136547058868 TCL: atom 1: phi = -0.425343657192 TCL: Center of mass = 4.91974227648 0.101009529038 -0.136499784673 TCL: atom 1: phi = -0.425145710252 TCL: Center of mass = 4.92128608476 0.100732434584 -0.136466479855 TCL: atom 1: phi = -0.424956135984 TCL: Center of mass = 4.9228175915 0.100488122907 -0.136426341511 TCL: atom 1: phi = -0.424936921338 TCL: Center of mass = 4.92432270728 0.100234680688 -0.136375902961 TCL: atom 1: phi = -0.424892816818 TCL: Center of mass = 4.92577437568 0.100012728208 -0.136298072511 TCL: atom 1: phi = -0.424916990959 TCL: Center of mass = 4.92717719107 0.0997985420861 -0.136209333956 TCL: atom 1: phi = -0.424836129249 TCL: Center of mass = 4.9285467092 0.0995837269552 -0.136090365561 TCL: atom 1: phi = -0.424734888347 TCL: Center of mass = 4.9299123665 0.0993594468983 -0.135949157528 TCL: atom 1: phi = -0.424457905324 TCL: Center of mass = 4.93129145718 0.0991465306917 -0.135765009169 TCL: atom 1: phi = -0.42427729718 TCL: Center of mass = 4.93271622864 0.0989173273406 -0.135536426113 TCL: atom 1: phi = -0.423958863289 TCL: Center of mass = 4.93412615848 0.0986743084608 -0.135259562922 TCL: atom 1: phi = -0.423714167745 TCL: Center of mass = 4.93555395395 0.0983978307191 -0.134956689717 TCL: atom 1: phi = -0.423468363209 TCL: Center of mass = 4.93698173047 0.0981161635956 -0.134633111165 TCL: atom 1: phi = -0.423331864389 TCL: Center of mass = 4.93840866705 0.0978446175257 -0.134312798782 TCL: atom 1: phi = -0.423091559257 TCL: Center of mass = 4.93979953407 0.0975924722223 -0.134004160039 TCL: atom 1: phi = -0.42291472565 TCL: Center of mass = 4.94116796408 0.0973305756644 -0.133695599864 TCL: atom 1: phi = -0.422560210789 TCL: Center of mass = 4.94247327299 0.0970706450915 -0.133383037062 TCL: atom 1: phi = -0.422241911719 TCL: Center of mass = 4.94375770719 0.0968027792456 -0.133067828245 TCL: atom 1: phi = -0.421712070291 TCL: Center of mass = 4.94500040332 0.0965001867791 -0.132760526078 TCL: atom 1: phi = -0.42121994715 TCL: Center of mass = 4.94625145458 0.0961522659627 -0.132466964181 TCL: atom 1: phi = -0.420603138528 TCL: Center of mass = 4.94751050042 0.0957785505356 -0.132168338853 TCL: atom 1: phi = -0.420095833223 TCL: Center of mass = 4.94878644995 0.0953791860188 -0.131872198838 TCL: atom 1: phi = -0.41951178257 TCL: Center of mass = 4.9500779923 0.0949621878443 -0.131593850869 TCL: atom 1: phi = -0.419110716204 TCL: Center of mass = 4.95139387477 0.0945389001062 -0.131307336755 TCL: atom 1: phi = -0.418698409045 TCL: Center of mass = 4.95270917487 0.0941173186052 -0.131019789091 TCL: atom 1: phi = -0.418500371253 TCL: Center of mass = 4.95404449021 0.0936865534834 -0.130757763058 TCL: atom 1: phi = -0.418204369222 TCL: Center of mass = 4.95535565233 0.0932628815701 -0.130528964985 TCL: atom 1: phi = -0.418061978504 TCL: Center of mass = 4.95665560658 0.0928219838484 -0.130346238139 TCL: atom 1: phi = -0.417802851816 TCL: Center of mass = 4.95792931382 0.0923719674861 -0.130174334668 TCL: atom 1: phi = -0.417653329403 TCL: Center of mass = 4.95920525769 0.0919256644943 -0.130016454554 TCL: atom 1: phi = -0.417443397155 TCL: Center of mass = 4.9604408423 0.0914675020262 -0.129873201351 TCL: atom 1: phi = -0.417372321178 TCL: Center of mass = 4.96167695666 0.0910008937638 -0.129716613371 TCL: atom 1: phi = -0.417260292454 TCL: Center of mass = 4.96290629164 0.0905464796209 -0.129556398236 TCL: atom 1: phi = -0.417377027205 TCL: Center of mass = 4.96415213221 0.090112472177 -0.129361323054 TCL: atom 1: phi = -0.417486588435 TCL: Center of mass = 4.96539394941 0.089700093987 -0.129159300997 TCL: atom 1: phi = -0.417784217335 TCL: Center of mass = 4.96664100735 0.0892950930055 -0.128930359557 TCL: atom 1: phi = -0.417981049352 TCL: Center of mass = 4.9678655038 0.0889202693965 -0.128716735666 TCL: atom 1: phi = -0.418315611025 TCL: Center of mass = 4.96909158907 0.0885392844518 -0.12849862134 TCL: atom 1: phi = -0.418509954321 TCL: Center of mass = 4.97026636638 0.0881625658657 -0.128288229606 TCL: atom 1: phi = -0.418791774114 TCL: Center of mass = 4.97141585363 0.0877804633751 -0.128065179319 TCL: atom 1: phi = -0.418974987887 TCL: Center of mass = 4.97251265993 0.0873937896831 -0.12785114406 TCL: atom 1: phi = -0.419323987253 TCL: Center of mass = 4.97360903849 0.0869980296663 -0.127636906188 TCL: atom 1: phi = -0.419598242525 TCL: Center of mass = 4.974703016 0.086594873272 -0.127414178206 TCL: atom 1: phi = -0.420046522615 TCL: Center of mass = 4.97581722537 0.086191343349 -0.127194634764 TCL: atom 1: phi = -0.420373055995 TCL: Center of mass = 4.97695101625 0.0857886672792 -0.126965905442 TCL: atom 1: phi = -0.420793289253 TCL: Center of mass = 4.97814213098 0.0853855715994 -0.126764142042 TCL: atom 1: phi = -0.421083455339 TCL: Center of mass = 4.97937832066 0.0849503728356 -0.126600159501 TCL: atom 1: phi = -0.421422909212 TCL: Center of mass = 4.98068056362 0.0844994632038 -0.126472857481 TCL: atom 1: phi = -0.421478136518 TCL: Center of mass = 4.98198842652 0.0840124137807 -0.126402112586 TCL: atom 1: phi = -0.421452951699 TCL: Center of mass = 4.98329614242 0.0835035447543 -0.126399597241 TCL: atom 1: phi = -0.421183098317 TCL: Center of mass = 4.98459742334 0.0829727598896 -0.126433865169 TCL: atom 1: phi = -0.420887706857 TCL: Center of mass = 4.98589716974 0.0824400328053 -0.126515600905 TCL: atom 1: phi = -0.420439346754 TCL: Center of mass = 4.9871944608 0.0819022047602 -0.126637585722 TCL: atom 1: phi = -0.420093597781 TCL: Center of mass = 4.9884953965 0.0813539667334 -0.126771176769 TCL: atom 1: phi = -0.419656022722 TCL: Center of mass = 4.98981781771 0.0808003816819 -0.126930425055 TCL: atom 1: phi = -0.419330491133 TCL: Center of mass = 4.99119826499 0.0802441925579 -0.127091355969 TCL: atom 1: phi = -0.41895886104 TCL: Center of mass = 4.99262109301 0.0796799421228 -0.127245324914 TCL: atom 1: phi = -0.418686618078 TCL: Center of mass = 4.99410349433 0.0790913225976 -0.127392322448 TCL: atom 1: phi = -0.418358884243 TCL: Center of mass = 4.99559771182 0.0784821179243 -0.127535772266 TCL: atom 1: phi = -0.418169129751 TCL: Center of mass = 4.99710148582 0.0778544523355 -0.127686646311 TCL: atom 1: phi = -0.417899232726 TCL: Center of mass = 4.99857369502 0.0772265878819 -0.12783977406 TCL: atom 1: phi = -0.417725677804 TCL: Center of mass = 5.00002343429 0.0766047206063 -0.127993171421 TCL: atom 1: phi = -0.417545236554 TCL: Center of mass = 5.00141550011 0.0760072716365 -0.128135389432 TCL: atom 1: phi = -0.417533053648 TCL: Center of mass = 5.00278788044 0.0754130946898 -0.128272643716 TCL: atom 1: phi = -0.417520152531 TCL: Center of mass = 5.00414263237 0.0748415828211 -0.128379567375 TCL: atom 1: phi = -0.417682876356 TCL: Center of mass = 5.00554040176 0.074289286735 -0.128491395144 TCL: atom 1: phi = -0.417853064428 TCL: Center of mass = 5.00699046319 0.0737766773955 -0.128584515118 TCL: atom 1: phi = -0.418199089812 TCL: Center of mass = 5.00850479402 0.0732565493491 -0.12867753404 TCL: atom 1: phi = -0.418502037571 TCL: Center of mass = 5.01005637426 0.0727502424168 -0.12878258141 TCL: atom 1: phi = -0.418887249108 TCL: Center of mass = 5.0116426438 0.0722377550455 -0.128914053824 TCL: atom 1: phi = -0.419133221659 TCL: Center of mass = 5.0132210221 0.0717426293534 -0.129064248786 TCL: atom 1: phi = -0.419385973071 WRITING COORDINATES TO DCD FILE AT STEP 4000 WRITING COORDINATES TO RESTART FILE AT STEP 4000 FINISHED WRITING RESTART COORDINATES TIMING: 4000 CPU: 213.148, 0.0532019/step Wall: 258.191, 0.0633538/step, 0.281572 hours remaining, 13604 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4000 3332.8651 2446.9564 370.3512 33.1050 -44453.0601 3900.7488 0.0000 0.0000 9627.2827 -24741.7509 285.3918 -24601.8409 -24589.3308 285.4243 113.4415 -1646.5821 125000.0000 -1764.1038 -1761.8161 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000 WRITING VELOCITIES TO RESTART FILE AT STEP 4000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.014793335 0.071232464114 -0.129258489708 TCL: atom 1: phi = -0.419439130138 TCL: Center of mass = 5.01630229009 0.0707339524581 -0.129493943554 TCL: atom 1: phi = -0.419504263792 TCL: Center of mass = 5.01779186845 0.0702404317055 -0.129747887724 TCL: atom 1: phi = -0.419448180755 TCL: Center of mass = 5.01927211426 0.0697779355347 -0.130019427035 TCL: atom 1: phi = -0.419394233531 TCL: Center of mass = 5.02076635519 0.0693174287491 -0.130285037774 TCL: atom 1: phi = -0.419208757759 TCL: Center of mass = 5.02227552745 0.0688653088118 -0.130551768305 TCL: atom 1: phi = -0.419064802612 TCL: Center of mass = 5.02382994614 0.0683957817419 -0.130823825263 TCL: atom 1: phi = -0.418784280103 TCL: Center of mass = 5.02541345209 0.0679287527385 -0.131080305505 TCL: atom 1: phi = -0.418431110644 TCL: Center of mass = 5.02701112166 0.0674499544337 -0.131314224634 TCL: atom 1: phi = -0.417852567524 TCL: Center of mass = 5.02860762619 0.0669861689106 -0.131543716457 TCL: atom 1: phi = -0.417232856087 TCL: Center of mass = 5.03019726442 0.0665306685615 -0.131785201004 TCL: atom 1: phi = -0.416389615132 TCL: Center of mass = 5.03175897054 0.0660965666022 -0.131998693305 TCL: atom 1: phi = -0.41555100655 TCL: Center of mass = 5.0332562207 0.0656661145822 -0.132210704554 TCL: atom 1: phi = -0.414618049245 TCL: Center of mass = 5.03469666825 0.0652487703312 -0.132404844637 TCL: atom 1: phi = -0.413763724374 TCL: Center of mass = 5.03611022123 0.064845415072 -0.132581630323 TCL: atom 1: phi = -0.412931458388 TCL: Center of mass = 5.03750532802 0.0644419771786 -0.132723126211 TCL: atom 1: phi = -0.412296332682 TCL: Center of mass = 5.03890115373 0.0640301356157 -0.132845351894 TCL: atom 1: phi = -0.411711523085 TCL: Center of mass = 5.04031127609 0.063596543291 -0.132949197642 TCL: atom 1: phi = -0.411315513923 TCL: Center of mass = 5.04176030539 0.0631559580011 -0.133031334051 TCL: atom 1: phi = -0.410853666682 TCL: Center of mass = 5.04324051379 0.0627075135284 -0.133112772981 TCL: atom 1: phi = -0.41045225281 TCL: Center of mass = 5.04474200316 0.0622253674891 -0.133207735161 TCL: atom 1: phi = -0.409939016699 TCL: Center of mass = 5.04625423916 0.061752547503 -0.133311667397 TCL: atom 1: phi = -0.409566091935 TCL: Center of mass = 5.04778331125 0.0612781332396 -0.133440952114 TCL: atom 1: phi = -0.409118326782 TCL: Center of mass = 5.04926690314 0.0608450857239 -0.133604741381 TCL: atom 1: phi = -0.408821146409 TCL: Center of mass = 5.05073448303 0.0604051124152 -0.133810937927 TCL: atom 1: phi = -0.408611043724 TCL: Center of mass = 5.05217774476 0.0599943071011 -0.134008650523 TCL: atom 1: phi = -0.408590709733 TCL: Center of mass = 5.05363756557 0.059569552959 -0.134189456707 TCL: atom 1: phi = -0.408695275454 TCL: Center of mass = 5.05509687379 0.0591390263555 -0.134353204377 TCL: atom 1: phi = -0.409006790719 TCL: Center of mass = 5.0565852853 0.0586948860138 -0.134496738388 TCL: atom 1: phi = -0.409286974196 TCL: Center of mass = 5.0581064361 0.0582726457426 -0.134609993233 TCL: atom 1: phi = -0.409748057069 TCL: Center of mass = 5.0596484616 0.0578306554372 -0.134726094931 TCL: atom 1: phi = -0.410171481893 TCL: Center of mass = 5.06119865807 0.0574133811058 -0.134839740367 TCL: atom 1: phi = -0.410660529916 TCL: Center of mass = 5.06276695433 0.0569933418829 -0.134957766805 TCL: atom 1: phi = -0.411118870117 TCL: Center of mass = 5.06432164583 0.0565983740277 -0.13508064927 TCL: atom 1: phi = -0.411716115757 TCL: Center of mass = 5.06585579909 0.0562169666951 -0.135217473693 TCL: atom 1: phi = -0.412367780647 TCL: Center of mass = 5.06734854692 0.0558802582148 -0.135348636211 TCL: atom 1: phi = -0.413140389272 TCL: Center of mass = 5.06882046678 0.0555466337781 -0.135469430693 TCL: atom 1: phi = -0.413940411511 TCL: Center of mass = 5.07024302199 0.0552572771599 -0.135563284731 TCL: atom 1: phi = -0.414787657665 TCL: Center of mass = 5.07166253141 0.0549524959571 -0.135618463673 TCL: atom 1: phi = -0.415478200414 TCL: Center of mass = 5.07307553623 0.054661739792 -0.135627723776 TCL: atom 1: phi = -0.416056598883 TCL: Center of mass = 5.07450634061 0.0543918522203 -0.135588604921 TCL: atom 1: phi = -0.416375379316 TCL: Center of mass = 5.07596906784 0.0541656137926 -0.135525830295 TCL: atom 1: phi = -0.416480106894 TCL: Center of mass = 5.07748012723 0.0539358530432 -0.13544165587 TCL: atom 1: phi = -0.416344529016 TCL: Center of mass = 5.07903574854 0.053733996515 -0.135366005909 TCL: atom 1: phi = -0.416143537021 TCL: Center of mass = 5.08062009434 0.053514499665 -0.135293956317 TCL: atom 1: phi = -0.415794091848 TCL: Center of mass = 5.08220391152 0.0533043870535 -0.135225105666 TCL: atom 1: phi = -0.415404675826 TCL: Center of mass = 5.08376574376 0.053082234707 -0.135147463855 TCL: atom 1: phi = -0.414859772091 TCL: Center of mass = 5.08529162754 0.0528636117165 -0.135075067479 TCL: atom 1: phi = -0.414307377712 TCL: Center of mass = 5.08679365814 0.0525996598841 -0.134985414099 TCL: atom 1: phi = -0.413697503004 TCL: Center of mass = 5.08824832954 0.0523480193388 -0.134870648272 TCL: atom 1: phi = -0.413104818022 TCL: Center of mass = 5.08968889762 0.0520875345544 -0.134726375005 TCL: atom 1: phi = -0.412425618681 TCL: Center of mass = 5.09113855272 0.0518434305884 -0.134559788614 TCL: atom 1: phi = -0.411740947753 TCL: Center of mass = 5.09260685026 0.0515818829143 -0.134394329048 TCL: atom 1: phi = -0.410912304988 TCL: Center of mass = 5.09410803225 0.051328906892 -0.13421925055 TCL: atom 1: phi = -0.410155721145 TCL: Center of mass = 5.09563846735 0.051045608742 -0.134070759429 TCL: atom 1: phi = -0.409439440743 TCL: Center of mass = 5.09716273705 0.050788750555 -0.133947517879 TCL: atom 1: phi = -0.408964524277 TCL: Center of mass = 5.09865859568 0.050532697054 -0.133846845726 TCL: atom 1: phi = -0.408631231052 TCL: Center of mass = 5.10009306478 0.0503023628222 -0.133777375191 TCL: atom 1: phi = -0.408609707528 TCL: Center of mass = 5.10147626561 0.0500906305748 -0.133724621449 TCL: atom 1: phi = -0.408660651049 TCL: Center of mass = 5.10278743108 0.0499250115547 -0.133698086686 TCL: atom 1: phi = -0.408896891706 TCL: Center of mass = 5.10405230821 0.0497689623713 -0.133673485028 TCL: atom 1: phi = -0.409142208899 TCL: Center of mass = 5.10529774719 0.0496436743008 -0.133650174807 TCL: atom 1: phi = -0.409494372746 TCL: Center of mass = 5.10654975693 0.0495466866515 -0.133630408268 TCL: atom 1: phi = -0.409723530906 TCL: Center of mass = 5.10785236968 0.0494887731124 -0.133598644449 TCL: atom 1: phi = -0.409940939343 TCL: Center of mass = 5.10918274251 0.0494520495296 -0.133557589846 TCL: atom 1: phi = -0.410067005659 TCL: Center of mass = 5.11056479271 0.0494420462494 -0.133534732545 TCL: atom 1: phi = -0.410285809191 TCL: Center of mass = 5.11199505979 0.0494314416966 -0.133516759047 TCL: atom 1: phi = -0.410430938121 TCL: Center of mass = 5.11342767187 0.0494224324951 -0.133518968747 TCL: atom 1: phi = -0.410710064698 TCL: Center of mass = 5.11485316281 0.049421120582 -0.13353111674 TCL: atom 1: phi = -0.410934616423 TCL: Center of mass = 5.11624401731 0.0494160164535 -0.133530654104 TCL: atom 1: phi = -0.41117123616 TCL: Center of mass = 5.11760111389 0.0493966455376 -0.133508940333 TCL: atom 1: phi = -0.411211797021 TCL: Center of mass = 5.11892271534 0.0493893807463 -0.133456336631 TCL: atom 1: phi = -0.411177900774 TCL: Center of mass = 5.12023966547 0.0493901199891 -0.133348309989 TCL: atom 1: phi = -0.410895461779 TCL: Center of mass = 5.12158279585 0.0493876440033 -0.133194993394 TCL: atom 1: phi = -0.410561291539 TCL: Center of mass = 5.12294754968 0.0493484001462 -0.132987403835 TCL: atom 1: phi = -0.410021278625 TCL: Center of mass = 5.12434993809 0.0492835113498 -0.132731812418 TCL: atom 1: phi = -0.409544881183 TCL: Center of mass = 5.125801579 0.0491995080574 -0.132450515533 TCL: atom 1: phi = -0.409098158989 TCL: Center of mass = 5.12725114165 0.049083344742 -0.13214851938 TCL: atom 1: phi = -0.408936943193 TCL: Center of mass = 5.12868391259 0.0489508938825 -0.131812392236 TCL: atom 1: phi = -0.408794389789 TCL: Center of mass = 5.13007467569 0.0488013615239 -0.131453449962 TCL: atom 1: phi = -0.408864954128 TCL: Center of mass = 5.13141756993 0.0486340499117 -0.131093010541 TCL: atom 1: phi = -0.408814736882 TCL: Center of mass = 5.13269791933 0.0484701694179 -0.13074798734 TCL: atom 1: phi = -0.408855686629 TCL: Center of mass = 5.13394445571 0.0483000989736 -0.130414326273 TCL: atom 1: phi = -0.40864975036 TCL: Center of mass = 5.1351736358 0.0481193932146 -0.1300781216 TCL: atom 1: phi = -0.40852921634 TCL: Center of mass = 5.13639167407 0.0479325555639 -0.129751891112 TCL: atom 1: phi = -0.408237212527 TCL: Center of mass = 5.13763303048 0.0477428727789 -0.129431150651 TCL: atom 1: phi = -0.408057255798 TCL: Center of mass = 5.13889679665 0.047539216281 -0.129110771633 TCL: atom 1: phi = -0.407800380589 TCL: Center of mass = 5.14018552745 0.0473254204086 -0.128801324758 TCL: atom 1: phi = -0.407721528939 TCL: Center of mass = 5.14149945314 0.0471024425104 -0.12851633822 TCL: atom 1: phi = -0.407667482013 TCL: Center of mass = 5.14280787275 0.0468877402381 -0.128268507149 TCL: atom 1: phi = -0.407799380385 TCL: Center of mass = 5.14410543121 0.0466852408507 -0.128059518873 TCL: atom 1: phi = -0.407824313094 TCL: Center of mass = 5.14537301066 0.0464757552463 -0.127868226473 TCL: atom 1: phi = -0.40788350597 TCL: Center of mass = 5.14663285189 0.0462642975955 -0.12770284219 TCL: atom 1: phi = -0.407747507439 TCL: Center of mass = 5.14785904218 0.0460456095178 -0.127570694511 TCL: atom 1: phi = -0.407664010079 TCL: Center of mass = 5.14907809275 0.0458172662434 -0.12741236711 TCL: atom 1: phi = -0.407439575576 TCL: Center of mass = 5.15031464582 0.0455712272885 -0.127246897427 TCL: atom 1: phi = -0.407384250769 TCL: Center of mass = 5.1515580534 0.0453380951214 -0.127045248452 TCL: atom 1: phi = -0.407421606022 TCL: Center of mass = 5.15282798735 0.0451102466487 -0.126844862323 TCL: atom 1: phi = -0.40777003902 TCL: Center of mass = 5.15410030628 0.0448898782867 -0.126587023186 TCL: atom 1: phi = -0.408297091072 TCL: Center of mass = 5.15537745335 0.0446550880136 -0.126312377702 TCL: atom 1: phi = -0.409138402371 TIMING: 4100 CPU: 218.457, 0.0530919/step Wall: 264.506, 0.0631548/step, 0.278934 hours remaining, 13604 kB of memory in use. ENERGY: 4100 3416.6106 2441.3246 373.8749 42.5711 -44641.7663 4025.5007 0.0000 0.0000 9661.0920 -24680.7925 286.3941 -24537.3565 -24539.0333 286.4096 355.0224 -1347.7575 125000.0000 -1702.8330 -1703.6247 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100 WRITING COORDINATES TO DCD FILE AT STEP 4100 WRITING COORDINATES TO RESTART FILE AT STEP 4100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.1566564752 0.0444215865438 -0.126020474456 TCL: atom 1: phi = -0.410077908872 TCL: Center of mass = 5.15791483582 0.0441807881485 -0.125713617156 TCL: atom 1: phi = -0.411216514533 TCL: Center of mass = 5.1591536203 0.0439279703768 -0.125386462685 TCL: atom 1: phi = -0.412309631301 TCL: Center of mass = 5.16034486662 0.0436855808795 -0.12506168145 TCL: atom 1: phi = -0.413400794454 TCL: Center of mass = 5.16151805726 0.0434232566487 -0.124722262576 TCL: atom 1: phi = -0.414411271965 TCL: Center of mass = 5.1626393038 0.0431777034963 -0.124384491747 TCL: atom 1: phi = -0.415459522151 TCL: Center of mass = 5.16374386764 0.042914292591 -0.124045876117 TCL: atom 1: phi = -0.416447247288 TCL: Center of mass = 5.16483482786 0.0426860355691 -0.123720361885 TCL: atom 1: phi = -0.417592544125 TCL: Center of mass = 5.16590892394 0.0424432204074 -0.123382736547 TCL: atom 1: phi = -0.418878265258 TCL: Center of mass = 5.16695349971 0.0422142286288 -0.123040897414 TCL: atom 1: phi = -0.420316738981 TCL: Center of mass = 5.16803405828 0.0419709538893 -0.122709052361 TCL: atom 1: phi = -0.421698835581 TCL: Center of mass = 5.1691032604 0.0417371181399 -0.122409556423 TCL: atom 1: phi = -0.423049540995 TCL: Center of mass = 5.17016339783 0.0415048220914 -0.122135421539 TCL: atom 1: phi = -0.424177867949 TCL: Center of mass = 5.1712585212 0.041263850483 -0.121903996664 TCL: atom 1: phi = -0.425198955249 TCL: Center of mass = 5.17236737271 0.0410054247952 -0.12169526636 TCL: atom 1: phi = -0.426005780452 TCL: Center of mass = 5.17346450736 0.0407094297801 -0.12152433302 TCL: atom 1: phi = -0.426783235 TCL: Center of mass = 5.1745780233 0.0403856695343 -0.121356755996 TCL: atom 1: phi = -0.427524738264 TCL: Center of mass = 5.17569311706 0.0400397907165 -0.121211944645 TCL: atom 1: phi = -0.428431837692 TCL: Center of mass = 5.17681534806 0.0396695231772 -0.12106442401 TCL: atom 1: phi = -0.429457511861 TCL: Center of mass = 5.17795697141 0.039274799197 -0.120915352759 TCL: atom 1: phi = -0.430652147151 TCL: Center of mass = 5.17912944319 0.0388451311781 -0.120746297668 TCL: atom 1: phi = -0.431865924703 TCL: Center of mass = 5.180344222 0.0384020627073 -0.120588248092 TCL: atom 1: phi = -0.433151842425 TCL: Center of mass = 5.18162168977 0.0379264351829 -0.120441181239 TCL: atom 1: phi = -0.434317487369 TCL: Center of mass = 5.18294675148 0.0374339224807 -0.120317784847 TCL: atom 1: phi = -0.435428264466 TCL: Center of mass = 5.18432082156 0.0369168856152 -0.120219614213 TCL: atom 1: phi = -0.436326204528 TCL: Center of mass = 5.18570401651 0.0363964951565 -0.120187093355 TCL: atom 1: phi = -0.437194059173 TCL: Center of mass = 5.18707809285 0.0358640756411 -0.12019169737 TCL: atom 1: phi = -0.437915226755 TCL: Center of mass = 5.18843302209 0.0353331386878 -0.120216152848 TCL: atom 1: phi = -0.438734146742 TCL: Center of mass = 5.18976879035 0.0348219753231 -0.120230513833 TCL: atom 1: phi = -0.439586288633 TCL: Center of mass = 5.19109267555 0.0343434510251 -0.120243133755 TCL: atom 1: phi = -0.440552443849 TCL: Center of mass = 5.19242708282 0.0338837624378 -0.120249616265 TCL: atom 1: phi = -0.441510821383 TCL: Center of mass = 5.1938041673 0.0334624664064 -0.120240425992 TCL: atom 1: phi = -0.442451051846 TCL: Center of mass = 5.1952093645 0.0330653821084 -0.1202342386 TCL: atom 1: phi = -0.443124524539 TCL: Center of mass = 5.19666081772 0.032691820592 -0.120257611621 TCL: atom 1: phi = -0.443622102536 TCL: Center of mass = 5.1981639775 0.0323377685028 -0.120298616975 TCL: atom 1: phi = -0.443827985157 TCL: Center of mass = 5.1996837332 0.0320169169302 -0.120378783944 TCL: atom 1: phi = -0.443882378083 TCL: Center of mass = 5.20118909111 0.0317093558057 -0.12044946016 TCL: atom 1: phi = -0.443788867933 TCL: Center of mass = 5.20270095711 0.0314424483276 -0.120549191576 TCL: atom 1: phi = -0.443751215568 TCL: Center of mass = 5.20421514242 0.0311745940084 -0.120663798177 TCL: atom 1: phi = -0.443803057044 TCL: Center of mass = 5.2057314131 0.0309295390638 -0.120761573967 TCL: atom 1: phi = -0.444053596575 TCL: Center of mass = 5.20724812584 0.0306759541259 -0.120830451041 TCL: atom 1: phi = -0.444387141053 TCL: Center of mass = 5.20876897729 0.0304454617704 -0.120856043953 TCL: atom 1: phi = -0.444838790605 TCL: Center of mass = 5.21035184863 0.0301893258185 -0.120820309028 TCL: atom 1: phi = -0.44529356616 TCL: Center of mass = 5.21201383826 0.0299599261792 -0.120754419591 TCL: atom 1: phi = -0.445761253959 TCL: Center of mass = 5.21372500645 0.0297051478175 -0.120658355174 TCL: atom 1: phi = -0.446061906335 TCL: Center of mass = 5.21546924161 0.0294629960342 -0.120557121363 TCL: atom 1: phi = -0.446281161013 TCL: Center of mass = 5.21724699334 0.0291869862108 -0.12044455323 TCL: atom 1: phi = -0.446404870706 TCL: Center of mass = 5.21900221127 0.0289302218653 -0.120352229717 TCL: atom 1: phi = -0.446569027787 TCL: Center of mass = 5.22073855577 0.0286743827476 -0.120257529028 TCL: atom 1: phi = -0.446715198132 TCL: Center of mass = 5.22241877747 0.0284565156535 -0.120168022774 TCL: atom 1: phi = -0.447013535479 TCL: Center of mass = 5.22405155331 0.0282378966395 -0.120066426402 TCL: atom 1: phi = -0.447291562789 TCL: Center of mass = 5.22564638202 0.0280577112003 -0.119967919239 TCL: atom 1: phi = -0.447557229894 TCL: Center of mass = 5.22725393168 0.0278873415517 -0.119845317245 TCL: atom 1: phi = -0.447633299768 TCL: Center of mass = 5.22883427712 0.0277414574364 -0.119712986691 TCL: atom 1: phi = -0.447582545407 TCL: Center of mass = 5.23042521034 0.0275964874831 -0.119588946342 TCL: atom 1: phi = -0.447226910589 TCL: Center of mass = 5.23202707564 0.0274744170757 -0.1194906349 TCL: atom 1: phi = -0.446684490755 TCL: Center of mass = 5.23362359936 0.0273418563343 -0.119423565735 TCL: atom 1: phi = -0.445904911586 TCL: Center of mass = 5.23520618471 0.027221598299 -0.119401424447 TCL: atom 1: phi = -0.44511017383 TCL: Center of mass = 5.23676633782 0.0271057666757 -0.119396778432 TCL: atom 1: phi = -0.444324695717 TCL: Center of mass = 5.23829392125 0.0270064141065 -0.11942536394 TCL: atom 1: phi = -0.443673641231 TCL: Center of mass = 5.23979552614 0.0269220953627 -0.119477150798 TCL: atom 1: phi = -0.44310006591 TCL: Center of mass = 5.24128256139 0.0268737953812 -0.119528544623 TCL: atom 1: phi = -0.442714176742 TCL: Center of mass = 5.24276984414 0.0268409961841 -0.119567205437 TCL: atom 1: phi = -0.442344912363 TCL: Center of mass = 5.24425977333 0.0268231198409 -0.119591253087 TCL: atom 1: phi = -0.442060004815 TCL: Center of mass = 5.24576637739 0.026786908228 -0.11959533413 TCL: atom 1: phi = -0.441693381897 TCL: Center of mass = 5.24730501695 0.0267756834562 -0.119598406051 TCL: atom 1: phi = -0.441381016073 TCL: Center of mass = 5.24886709949 0.0267534057941 -0.119594063712 TCL: atom 1: phi = -0.44101061906 TCL: Center of mass = 5.2504466438 0.026733186374 -0.119579283791 TCL: atom 1: phi = -0.440735590999 TCL: Center of mass = 5.25205861508 0.0266871265113 -0.119558526583 TCL: atom 1: phi = -0.440554226573 TCL: Center of mass = 5.25367542748 0.0266589812036 -0.119505580797 TCL: atom 1: phi = -0.440593920887 TCL: Center of mass = 5.25531484928 0.0266265943764 -0.119458367794 TCL: atom 1: phi = -0.440738556218 TCL: Center of mass = 5.2569674313 0.0265937115303 -0.119375717185 TCL: atom 1: phi = -0.44100516768 TCL: Center of mass = 5.258620443 0.0265488577132 -0.119282170091 TCL: atom 1: phi = -0.44124303025 TCL: Center of mass = 5.26029785905 0.0265097630927 -0.11914615758 TCL: atom 1: phi = -0.441462903558 TCL: Center of mass = 5.26198257956 0.0264610009022 -0.118987821094 TCL: atom 1: phi = -0.441572352895 TCL: Center of mass = 5.26367517963 0.0263938745912 -0.118803290653 TCL: atom 1: phi = -0.44149572957 TCL: Center of mass = 5.26538693519 0.026310212069 -0.118578644843 TCL: atom 1: phi = -0.441212301222 TCL: Center of mass = 5.26711734358 0.0262285349037 -0.1183396263 TCL: atom 1: phi = -0.440845431666 TCL: Center of mass = 5.26884524695 0.0261288083066 -0.118078891666 TCL: atom 1: phi = -0.440414445591 TCL: Center of mass = 5.27057514099 0.0260013642106 -0.117791973362 TCL: atom 1: phi = -0.440003269038 TCL: Center of mass = 5.27228011799 0.025846454204 -0.117510189402 TCL: atom 1: phi = -0.439556259764 TCL: Center of mass = 5.27398811859 0.025661782655 -0.117220112447 TCL: atom 1: phi = -0.439178555563 TCL: Center of mass = 5.27570386567 0.0254314260084 -0.116900291047 TCL: atom 1: phi = -0.438735812949 TCL: Center of mass = 5.27742621918 0.0251913549938 -0.116545541153 TCL: atom 1: phi = -0.438200123494 TCL: Center of mass = 5.27916437854 0.0249555253117 -0.116172624916 TCL: atom 1: phi = -0.437470347788 TCL: Center of mass = 5.28090477073 0.0247235435356 -0.115767905795 TCL: atom 1: phi = -0.436627460375 TCL: Center of mass = 5.28264961429 0.0244698127216 -0.115342002441 TCL: atom 1: phi = -0.435685464387 TCL: Center of mass = 5.28440275915 0.0242208697051 -0.114889491515 TCL: atom 1: phi = -0.434800065287 TCL: Center of mass = 5.28618344583 0.0239381056161 -0.114418142543 TCL: atom 1: phi = -0.433926980026 TCL: Center of mass = 5.2879558587 0.0236269746439 -0.1139201463 TCL: atom 1: phi = -0.433175147987 TCL: Center of mass = 5.2897436703 0.0232946567344 -0.113427300669 TCL: atom 1: phi = -0.432487278392 TCL: Center of mass = 5.2915433756 0.0229367027395 -0.112974750887 TCL: atom 1: phi = -0.431890038803 TCL: Center of mass = 5.29334395147 0.0225632480625 -0.112526357843 TCL: atom 1: phi = -0.431290543128 TCL: Center of mass = 5.29511781128 0.0221938106315 -0.112116529989 TCL: atom 1: phi = -0.430678155043 TCL: Center of mass = 5.29685575218 0.0218392987371 -0.111710600124 TCL: atom 1: phi = -0.429866435851 TCL: Center of mass = 5.29859285601 0.0214795270144 -0.111315773168 TCL: atom 1: phi = -0.428868141884 TCL: Center of mass = 5.3002968071 0.0211225137361 -0.110943235411 TCL: atom 1: phi = -0.427612730009 TCL: Center of mass = 5.3019699116 0.0207697999796 -0.110603956715 TCL: atom 1: phi = -0.426118349725 TCL: Center of mass = 5.30360045149 0.0204082568263 -0.110287816277 TCL: atom 1: phi = -0.424512694624 TCL: Center of mass = 5.30522068576 0.0200403151688 -0.10997661555 TCL: atom 1: phi = -0.422914971473 WRITING COORDINATES TO DCD FILE AT STEP 4200 WRITING COORDINATES TO RESTART FILE AT STEP 4200 FINISHED WRITING RESTART COORDINATES TIMING: 4200 CPU: 223.787, 0.0533019/step Wall: 270.855, 0.0634861/step, 0.278633 hours remaining, 13604 kB of memory in use. ENERGY: 4200 3424.2135 2406.4613 389.8286 39.5955 -44528.8137 3943.0043 0.0000 0.0000 9683.3712 -24642.3394 287.0545 -24500.9002 -24494.7981 287.4956 -524.0845 -1919.3472 125000.0000 -1592.5041 -1589.1195 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200 WRITING VELOCITIES TO RESTART FILE AT STEP 4200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.30683547997 0.0196474592359 -0.109690025851 TCL: atom 1: phi = -0.42132154164 TCL: Center of mass = 5.30841933985 0.0192389627085 -0.109448816252 TCL: atom 1: phi = -0.419804453502 TCL: Center of mass = 5.30999817353 0.0188004232209 -0.109267655761 TCL: atom 1: phi = -0.418405198248 TCL: Center of mass = 5.31156369574 0.018325917714 -0.109134099539 TCL: atom 1: phi = -0.417106290638 TCL: Center of mass = 5.31312009262 0.0178383176516 -0.109017587277 TCL: atom 1: phi = -0.415872004462 TCL: Center of mass = 5.31465817018 0.0173420164069 -0.108917512471 TCL: atom 1: phi = -0.414724703839 TCL: Center of mass = 5.31619403543 0.016866499575 -0.108812434315 TCL: atom 1: phi = -0.413592033238 TCL: Center of mass = 5.31770579308 0.0164117880736 -0.108718054597 TCL: atom 1: phi = -0.412537772351 TCL: Center of mass = 5.31920467241 0.0159830859323 -0.108605208636 TCL: atom 1: phi = -0.411670338154 TCL: Center of mass = 5.32071424369 0.0155766978221 -0.108451317036 TCL: atom 1: phi = -0.411061323326 TCL: Center of mass = 5.32223256314 0.0151598982512 -0.10825682478 TCL: atom 1: phi = -0.410686782509 TCL: Center of mass = 5.32378328143 0.0147381412854 -0.108038492187 TCL: atom 1: phi = -0.410571533429 TCL: Center of mass = 5.325373204 0.0143081408182 -0.10777113772 TCL: atom 1: phi = -0.410607407535 TCL: Center of mass = 5.32700694977 0.0138797521694 -0.107495957253 TCL: atom 1: phi = -0.410749889317 TCL: Center of mass = 5.32868022659 0.0134432273082 -0.107191704674 TCL: atom 1: phi = -0.410883539578 TCL: Center of mass = 5.33038267274 0.0130182733446 -0.106906596163 TCL: atom 1: phi = -0.410986599588 TCL: Center of mass = 5.33209488043 0.012605972849 -0.106615620964 TCL: atom 1: phi = -0.410958816128 TCL: Center of mass = 5.33380747588 0.0121963326543 -0.10631641015 TCL: atom 1: phi = -0.410756745911 TCL: Center of mass = 5.33547828667 0.0118133819224 -0.106006869285 TCL: atom 1: phi = -0.410440713301 TCL: Center of mass = 5.33711569238 0.0114310001409 -0.105688597027 TCL: atom 1: phi = -0.410054225656 TCL: Center of mass = 5.33874342861 0.0110804867653 -0.105335405476 TCL: atom 1: phi = -0.409658828269 TCL: Center of mass = 5.34034082131 0.0107134988487 -0.104968532259 TCL: atom 1: phi = -0.409289756275 TCL: Center of mass = 5.34192294325 0.0103476196648 -0.104572952515 TCL: atom 1: phi = -0.40896062708 TCL: Center of mass = 5.34347896198 0.00995372244194 -0.104204962786 TCL: atom 1: phi = -0.408658011702 TCL: Center of mass = 5.34503155501 0.00953894529143 -0.103862516511 TCL: atom 1: phi = -0.408330244039 TCL: Center of mass = 5.34657103391 0.00910268385553 -0.103582210245 TCL: atom 1: phi = -0.408049579994 TCL: Center of mass = 5.34810685472 0.00867331742142 -0.103338152966 TCL: atom 1: phi = -0.407731931407 TCL: Center of mass = 5.34962934136 0.00824445343232 -0.103160478245 TCL: atom 1: phi = -0.407455767623 TCL: Center of mass = 5.35112465065 0.00782400753199 -0.103017590421 TCL: atom 1: phi = -0.407174412331 TCL: Center of mass = 5.35260051508 0.00742163668067 -0.102913196062 TCL: atom 1: phi = -0.407002793111 TCL: Center of mass = 5.35405463835 0.0070274099411 -0.102805368048 TCL: atom 1: phi = -0.406882413734 TCL: Center of mass = 5.35547273744 0.00664537296083 -0.102695361392 TCL: atom 1: phi = -0.406921591009 TCL: Center of mass = 5.35689353307 0.00627686218961 -0.102592723756 TCL: atom 1: phi = -0.406995332415 TCL: Center of mass = 5.35833820223 0.00592369588237 -0.102481067869 TCL: atom 1: phi = -0.40719568587 TCL: Center of mass = 5.35978892785 0.00555436541283 -0.102354284755 TCL: atom 1: phi = -0.407313890824 TCL: Center of mass = 5.36124310896 0.00516039495813 -0.102233897811 TCL: atom 1: phi = -0.40744310837 TCL: Center of mass = 5.36273149497 0.0047644473961 -0.102111055801 TCL: atom 1: phi = -0.407456574139 TCL: Center of mass = 5.36422928961 0.00437740522041 -0.101994810063 TCL: atom 1: phi = -0.40729868397 TCL: Center of mass = 5.36573971797 0.00398777371163 -0.101875360302 TCL: atom 1: phi = -0.406963565841 TCL: Center of mass = 5.36723917562 0.00361971736854 -0.101769624683 TCL: atom 1: phi = -0.406548114357 TCL: Center of mass = 5.36873627376 0.00329327197303 -0.101667177699 TCL: atom 1: phi = -0.406070412936 TCL: Center of mass = 5.37023788668 0.00300609940421 -0.10156895373 TCL: atom 1: phi = -0.405639755774 TCL: Center of mass = 5.37175091345 0.00275142014637 -0.101455169224 TCL: atom 1: phi = -0.405233571144 TCL: Center of mass = 5.37327781574 0.00251198653269 -0.101318617461 TCL: atom 1: phi = -0.40489480421 TCL: Center of mass = 5.37482511988 0.00227998814806 -0.101163617107 TCL: atom 1: phi = -0.40455009939 TCL: Center of mass = 5.37639605301 0.00205076193999 -0.101006677105 TCL: atom 1: phi = -0.404295366125 TCL: Center of mass = 5.37799680046 0.00182922963748 -0.100831797076 TCL: atom 1: phi = -0.403998170529 TCL: Center of mass = 5.37964303613 0.00162630740658 -0.100665019604 TCL: atom 1: phi = -0.403691915174 TCL: Center of mass = 5.38129807972 0.00142898893379 -0.100517260456 TCL: atom 1: phi = -0.403396065127 TCL: Center of mass = 5.38295939341 0.00123640469085 -0.10038527288 TCL: atom 1: phi = -0.403203682462 TCL: Center of mass = 5.38463243217 0.0010472561563 -0.100272717664 TCL: atom 1: phi = -0.403007482304 TCL: Center of mass = 5.38631651874 0.000884972258313 -0.10016826075 TCL: atom 1: phi = -0.402881204476 TCL: Center of mass = 5.38801911294 0.000713131291663 -0.100065505284 TCL: atom 1: phi = -0.402718143794 TCL: Center of mass = 5.38971814265 0.000563090844629 -0.0999382904149 TCL: atom 1: phi = -0.402633493632 TCL: Center of mass = 5.39142044456 0.000443897232599 -0.0998006559212 TCL: atom 1: phi = -0.402536325601 TCL: Center of mass = 5.39311897617 0.000322038819294 -0.0996410279893 TCL: atom 1: phi = -0.402463767616 TCL: Center of mass = 5.39480605572 0.000206901462055 -0.0994636792093 TCL: atom 1: phi = -0.402240253436 TCL: Center of mass = 5.39649102443 7.29814876718e-05 -0.099271413215 TCL: atom 1: phi = -0.401916859329 TCL: Center of mass = 5.3981619789 -9.12950908235e-05 -0.099081576298 TCL: atom 1: phi = -0.401317997734 TCL: Center of mass = 5.39984333024 -0.000285102268647 -0.0988975412322 TCL: atom 1: phi = -0.400600349716 TCL: Center of mass = 5.40152075761 -0.000514092103884 -0.0987031311075 TCL: atom 1: phi = -0.399720793756 TCL: Center of mass = 5.40319444911 -0.00076445445991 -0.0984906794955 TCL: atom 1: phi = -0.398772048712 TCL: Center of mass = 5.40486415061 -0.00101775698521 -0.0982843509332 TCL: atom 1: phi = -0.397764796621 TCL: Center of mass = 5.40651566089 -0.00125678852431 -0.09807332745 TCL: atom 1: phi = -0.396771814368 TCL: Center of mass = 5.40814877613 -0.00147977371018 -0.0978419656454 TCL: atom 1: phi = -0.395825618974 TCL: Center of mass = 5.40975420437 -0.00168644868083 -0.0975721654254 TCL: atom 1: phi = -0.395009204782 TCL: Center of mass = 5.4113617582 -0.00186117459003 -0.0972702759742 TCL: atom 1: phi = -0.394235373601 TCL: Center of mass = 5.41295782482 -0.00204279466024 -0.096929600546 TCL: atom 1: phi = -0.393588302271 TCL: Center of mass = 5.41455394233 -0.00222830212552 -0.0965619776963 TCL: atom 1: phi = -0.392969463151 TCL: Center of mass = 5.41616892967 -0.00242194975475 -0.096164227174 TCL: atom 1: phi = -0.39248790168 TCL: Center of mass = 5.4177796891 -0.00264983206623 -0.0957573712704 TCL: atom 1: phi = -0.39209870499 TCL: Center of mass = 5.41939966753 -0.00291872523094 -0.0953402299795 TCL: atom 1: phi = -0.39192646271 TCL: Center of mass = 5.42102011826 -0.0031916368056 -0.0949197124188 TCL: atom 1: phi = -0.39188170073 TCL: Center of mass = 5.42261836709 -0.00344831535291 -0.0945043074395 TCL: atom 1: phi = -0.391995490441 TCL: Center of mass = 5.4241912903 -0.00368541652459 -0.0940706881778 TCL: atom 1: phi = -0.392220862475 TCL: Center of mass = 5.42573572646 -0.00388252703431 -0.0936291539427 TCL: atom 1: phi = -0.392616027079 TCL: Center of mass = 5.42724785383 -0.00405938405009 -0.0931892671967 TCL: atom 1: phi = -0.393045895405 TCL: Center of mass = 5.42873627946 -0.00419988771747 -0.0927545624979 TCL: atom 1: phi = -0.393592508524 TCL: Center of mass = 5.43020205206 -0.00433832130956 -0.092306324613 TCL: atom 1: phi = -0.394054536096 TCL: Center of mass = 5.43165052788 -0.00448268301643 -0.091868875007 TCL: atom 1: phi = -0.3945767579 TCL: Center of mass = 5.43310975615 -0.00466372145875 -0.0914511069517 TCL: atom 1: phi = -0.39496446791 TCL: Center of mass = 5.43457481192 -0.00486210944477 -0.0910556862202 TCL: atom 1: phi = -0.395355298072 TCL: Center of mass = 5.43605803574 -0.00508655843028 -0.0906708787037 TCL: atom 1: phi = -0.395584157361 TCL: Center of mass = 5.43752020217 -0.00534902659887 -0.0902994191818 TCL: atom 1: phi = -0.395784269905 TCL: Center of mass = 5.43899206119 -0.00564430158359 -0.0899331535802 TCL: atom 1: phi = -0.395840703257 TCL: Center of mass = 5.4404423403 -0.00593289852581 -0.0895907017497 TCL: atom 1: phi = -0.39592001015 TCL: Center of mass = 5.44187010397 -0.00619962922314 -0.0892494652471 TCL: atom 1: phi = -0.395934256946 TCL: Center of mass = 5.44328042195 -0.00642496925754 -0.0889289308338 TCL: atom 1: phi = -0.395933541992 TCL: Center of mass = 5.44471119875 -0.00662923926031 -0.0886205511066 TCL: atom 1: phi = -0.395803219156 TCL: Center of mass = 5.44615280815 -0.00682349155564 -0.0883231347576 TCL: atom 1: phi = -0.395680571899 TCL: Center of mass = 5.44763930686 -0.00704028372017 -0.088028153066 TCL: atom 1: phi = -0.395428406444 TCL: Center of mass = 5.44914511995 -0.00727846197104 -0.0877364215967 TCL: atom 1: phi = -0.395152302986 TCL: Center of mass = 5.45070738331 -0.00754389347691 -0.0874534700233 TCL: atom 1: phi = -0.394791125207 TCL: Center of mass = 5.45227600898 -0.00782536521682 -0.0871777075885 TCL: atom 1: phi = -0.394548620223 TCL: Center of mass = 5.45386322227 -0.00809175832063 -0.086900467042 TCL: atom 1: phi = -0.39424982347 TCL: Center of mass = 5.45544317734 -0.00829721040783 -0.0866132982383 TCL: atom 1: phi = -0.394099955671 TCL: Center of mass = 5.457012397 -0.00846684931591 -0.086332755983 TCL: atom 1: phi = -0.393842287692 TCL: Center of mass = 5.45855821487 -0.00859526379139 -0.0860480826884 TCL: atom 1: phi = -0.393731133217 TCL: Center of mass = 5.46011413933 -0.00869224856074 -0.0857367398366 TCL: atom 1: phi = -0.393550161075 TCL: Center of mass = 5.46161808698 -0.00876606557439 -0.0854341623785 TCL: atom 1: phi = -0.393547836023 WRITING COORDINATES TO DCD FILE AT STEP 4300 WRITING COORDINATES TO RESTART FILE AT STEP 4300 FINISHED WRITING RESTART COORDINATES TIMING: 4300 CPU: 229.113, 0.0532619/step Wall: 277.488, 0.0663282/step, 0.289265 hours remaining, 13604 kB of memory in use. ENERGY: 4300 3404.1558 2484.6772 386.5216 36.4566 -44956.6918 4280.7955 0.0000 0.0000 9731.4160 -24632.6691 288.4788 -24490.8666 -24483.7053 287.2345 623.8032 -1074.4661 125000.0000 -1495.2892 -1491.2289 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300 WRITING VELOCITIES TO RESTART FILE AT STEP 4300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.46310780883 -0.00882421705294 -0.0851149927831 TCL: atom 1: phi = -0.393453410814 TCL: Center of mass = 5.46457037724 -0.00886625859111 -0.0847808432784 TCL: atom 1: phi = -0.393516424952 TCL: Center of mass = 5.46603812999 -0.00894282847065 -0.0844511861942 TCL: atom 1: phi = -0.393446631651 TCL: Center of mass = 5.46746199338 -0.00903689127133 -0.0841371237033 TCL: atom 1: phi = -0.393533021561 TCL: Center of mass = 5.46885911709 -0.00913996097256 -0.0838317314262 TCL: atom 1: phi = -0.393519557643 TCL: Center of mass = 5.47020532889 -0.00923384660988 -0.083541612027 TCL: atom 1: phi = -0.393656895729 TCL: Center of mass = 5.47152728786 -0.00932127054857 -0.0832767101962 TCL: atom 1: phi = -0.393703415007 TCL: Center of mass = 5.47279568539 -0.00939072650329 -0.0830196490274 TCL: atom 1: phi = -0.393914657413 TCL: Center of mass = 5.47404148791 -0.00947013517786 -0.0827539498403 TCL: atom 1: phi = -0.394041631136 TCL: Center of mass = 5.47527693975 -0.0095426199557 -0.0825289157657 TCL: atom 1: phi = -0.394308382211 TCL: Center of mass = 5.47651171097 -0.00963587392898 -0.0823021953198 TCL: atom 1: phi = -0.394446867318 TCL: Center of mass = 5.47775546406 -0.00976349695605 -0.0820846210706 TCL: atom 1: phi = -0.394648166472 TCL: Center of mass = 5.4790400113 -0.00994965061786 -0.0818589318306 TCL: atom 1: phi = -0.394654007097 TCL: Center of mass = 5.48035262713 -0.0101790162728 -0.0816300279828 TCL: atom 1: phi = -0.394777105708 TCL: Center of mass = 5.48170784245 -0.010477337079 -0.0813811189157 TCL: atom 1: phi = -0.394768332487 TCL: Center of mass = 5.48310280558 -0.0108300235695 -0.081126601995 TCL: atom 1: phi = -0.394831597868 TCL: Center of mass = 5.48453935184 -0.0112146334405 -0.0808361549841 TCL: atom 1: phi = -0.394718485095 TCL: Center of mass = 5.48598257018 -0.0116067448138 -0.0805316221806 TCL: atom 1: phi = -0.394720931128 TCL: Center of mass = 5.4874450169 -0.0120115169731 -0.0801897284124 TCL: atom 1: phi = -0.394575417255 TCL: Center of mass = 5.4889185989 -0.0124059966751 -0.0798320094355 TCL: atom 1: phi = -0.394577596578 TCL: Center of mass = 5.49043542408 -0.0127777752962 -0.0794687355744 TCL: atom 1: phi = -0.394475121923 TCL: Center of mass = 5.49197540494 -0.013114100721 -0.0790707925213 TCL: atom 1: phi = -0.394389521469 TCL: Center of mass = 5.4935391421 -0.013424940342 -0.0786462019105 TCL: atom 1: phi = -0.394037133135 TCL: Center of mass = 5.49513162274 -0.0137192636839 -0.0781977848532 TCL: atom 1: phi = -0.393767227357 TCL: Center of mass = 5.49672099049 -0.0140177829143 -0.0777327847734 TCL: atom 1: phi = -0.393314573822 TCL: Center of mass = 5.49827724671 -0.0143206409324 -0.0772590454432 TCL: atom 1: phi = -0.392895600463 TCL: Center of mass = 5.49981544174 -0.014654650139 -0.076796224687 TCL: atom 1: phi = -0.392374140417 TCL: Center of mass = 5.50132030427 -0.0149876304494 -0.0763532732293 TCL: atom 1: phi = -0.39197810763 TCL: Center of mass = 5.50278540283 -0.0153393870285 -0.0759319257551 TCL: atom 1: phi = -0.391472369568 TCL: Center of mass = 5.50421755911 -0.0156776085918 -0.0755450215002 TCL: atom 1: phi = -0.391179642665 TCL: Center of mass = 5.50563404176 -0.0159837155436 -0.075178185114 TCL: atom 1: phi = -0.390850307557 TCL: Center of mass = 5.50702972001 -0.016274003196 -0.0748322577454 TCL: atom 1: phi = -0.390685916741 TCL: Center of mass = 5.50841920012 -0.0165589914821 -0.0744892665185 TCL: atom 1: phi = -0.390369866935 TCL: Center of mass = 5.50980912509 -0.0168126102586 -0.0741467850589 TCL: atom 1: phi = -0.390255234701 TCL: Center of mass = 5.51119561774 -0.0170513197012 -0.0738247498762 TCL: atom 1: phi = -0.390068842877 TCL: Center of mass = 5.51257557878 -0.0172824711854 -0.0735346943771 TCL: atom 1: phi = -0.390141951525 TCL: Center of mass = 5.51395837204 -0.0175391417291 -0.0732724247843 TCL: atom 1: phi = -0.390272930525 TCL: Center of mass = 5.51533894706 -0.0178233837648 -0.07301892172 TCL: atom 1: phi = -0.390748591737 TCL: Center of mass = 5.51673830336 -0.0181682749983 -0.0727832181309 TCL: atom 1: phi = -0.391289307452 TCL: Center of mass = 5.51815611368 -0.018529648292 -0.0725637461184 TCL: atom 1: phi = -0.392126234783 TCL: Center of mass = 5.51959356179 -0.0189030253445 -0.0723591162233 TCL: atom 1: phi = -0.39296928412 TCL: Center of mass = 5.52103375738 -0.0192702234479 -0.0721437995529 TCL: atom 1: phi = -0.39397127147 TCL: Center of mass = 5.52248322176 -0.0196220625319 -0.0719239878336 TCL: atom 1: phi = -0.394831756503 TCL: Center of mass = 5.52395194142 -0.0199537563183 -0.0716977838567 TCL: atom 1: phi = -0.395765654085 TCL: Center of mass = 5.52542490747 -0.020258147367 -0.0714618875641 TCL: atom 1: phi = -0.396544460237 TCL: Center of mass = 5.52690233628 -0.02051261651 -0.0712018356251 TCL: atom 1: phi = -0.397399932202 TCL: Center of mass = 5.5283956101 -0.0207666841653 -0.0709474605473 TCL: atom 1: phi = -0.398127816453 TCL: Center of mass = 5.52987405093 -0.0210075564847 -0.0706803421482 TCL: atom 1: phi = -0.39894245382 TCL: Center of mass = 5.53136325975 -0.0212691624601 -0.0704182573745 TCL: atom 1: phi = -0.39962156398 TCL: Center of mass = 5.53282738392 -0.0215335351994 -0.0701448465805 TCL: atom 1: phi = -0.400428093051 TCL: Center of mass = 5.53431312259 -0.0218443969563 -0.0698758222105 TCL: atom 1: phi = -0.400999667423 TCL: Center of mass = 5.5358032702 -0.0221458276417 -0.0696048337895 TCL: atom 1: phi = -0.401526384017 TCL: Center of mass = 5.53729438488 -0.0224600388649 -0.0693450993835 TCL: atom 1: phi = -0.401784944271 TCL: Center of mass = 5.53877291096 -0.022732764465 -0.0690458503903 TCL: atom 1: phi = -0.401954013592 TCL: Center of mass = 5.54023554989 -0.0229617958581 -0.0687430053807 TCL: atom 1: phi = -0.401827867604 TCL: Center of mass = 5.54168275835 -0.0231325180303 -0.0684099395487 TCL: atom 1: phi = -0.401673324947 TCL: Center of mass = 5.54314072273 -0.0232809762655 -0.068098347922 TCL: atom 1: phi = -0.401231195043 TCL: Center of mass = 5.54458811281 -0.0233988590957 -0.0677887908359 TCL: atom 1: phi = -0.400801274667 TCL: Center of mass = 5.54605067753 -0.023523293768 -0.0674899569667 TCL: atom 1: phi = -0.400206241001 TCL: Center of mass = 5.54752058746 -0.0236434427419 -0.0671939429187 TCL: atom 1: phi = -0.399701059302 TCL: Center of mass = 5.54901024809 -0.0238051948722 -0.0669094402333 TCL: atom 1: phi = -0.399085556845 TCL: Center of mass = 5.55050394112 -0.0239715127454 -0.0666270490757 TCL: atom 1: phi = -0.398497690484 TCL: Center of mass = 5.55199659751 -0.0241605896557 -0.0663465616413 TCL: atom 1: phi = -0.397717736254 TCL: Center of mass = 5.55349282734 -0.0243651368956 -0.0660646364803 TCL: atom 1: phi = -0.396976853286 TCL: Center of mass = 5.55497741378 -0.0245554999139 -0.0657418507476 TCL: atom 1: phi = -0.396018934958 TCL: Center of mass = 5.55643135861 -0.024707109722 -0.0654122009628 TCL: atom 1: phi = -0.395154544426 TCL: Center of mass = 5.55788413123 -0.0248531576865 -0.0650798490886 TCL: atom 1: phi = -0.394141414918 TCL: Center of mass = 5.55929470509 -0.0249876284146 -0.0647328383469 TCL: atom 1: phi = -0.39328625681 TCL: Center of mass = 5.56072073575 -0.0251156495803 -0.0643663988804 TCL: atom 1: phi = -0.392362562224 TCL: Center of mass = 5.56213707232 -0.0252679297663 -0.0640171314183 TCL: atom 1: phi = -0.39160030682 TCL: Center of mass = 5.56355406629 -0.0254676952465 -0.0636883340714 TCL: atom 1: phi = -0.390786355239 TCL: Center of mass = 5.56496685681 -0.0256961314796 -0.0633634224945 TCL: atom 1: phi = -0.390168267187 TCL: Center of mass = 5.5663617024 -0.0259625822394 -0.0630431083492 TCL: atom 1: phi = -0.38942550615 TCL: Center of mass = 5.56772453329 -0.0262471406658 -0.0627225176535 TCL: atom 1: phi = -0.388826931329 TCL: Center of mass = 5.56903068125 -0.026543858847 -0.0623962890483 TCL: atom 1: phi = -0.388072406941 TCL: Center of mass = 5.57029976581 -0.0268285511974 -0.0620922458569 TCL: atom 1: phi = -0.387448431334 TCL: Center of mass = 5.57151201286 -0.0271053537593 -0.0617833791981 TCL: atom 1: phi = -0.386717108062 TCL: Center of mass = 5.57267521621 -0.0273420040012 -0.0614790713898 TCL: atom 1: phi = -0.386222110137 TCL: Center of mass = 5.57382838145 -0.027580390841 -0.061183654357 TCL: atom 1: phi = -0.385635471017 TCL: Center of mass = 5.57497450573 -0.0277936574592 -0.0609066550086 TCL: atom 1: phi = -0.385247464039 TCL: Center of mass = 5.57613088283 -0.0280241901727 -0.0606497103753 TCL: atom 1: phi = -0.384754060856 TCL: Center of mass = 5.57729921162 -0.0282434061121 -0.0604129173117 TCL: atom 1: phi = -0.384428067989 TCL: Center of mass = 5.57846406602 -0.0285161382533 -0.06018841292 TCL: atom 1: phi = -0.383945498606 TCL: Center of mass = 5.57961826591 -0.028809592215 -0.0599559418307 TCL: atom 1: phi = -0.383592675539 TCL: Center of mass = 5.58076073292 -0.0291325015084 -0.0597051438007 TCL: atom 1: phi = -0.382977245839 TCL: Center of mass = 5.58189456031 -0.0294288971845 -0.0594343985496 TCL: atom 1: phi = -0.382434603703 TCL: Center of mass = 5.58303425221 -0.0297273204549 -0.0591788223344 TCL: atom 1: phi = -0.381676087883 TCL: Center of mass = 5.58418510276 -0.0299884661639 -0.0589065442393 TCL: atom 1: phi = -0.38100752616 TCL: Center of mass = 5.58535096167 -0.0302271805151 -0.058638151675 TCL: atom 1: phi = -0.380124090844 TCL: Center of mass = 5.58652547522 -0.0304380401688 -0.0583663135294 TCL: atom 1: phi = -0.379372150987 TCL: Center of mass = 5.58773775903 -0.030647253973 -0.0581024280291 TCL: atom 1: phi = -0.37847232643 TCL: Center of mass = 5.58894936714 -0.0308616991112 -0.057848684001 TCL: atom 1: phi = -0.377696565251 TCL: Center of mass = 5.59017355373 -0.0310928659552 -0.0575892830824 TCL: atom 1: phi = -0.376725961495 TCL: Center of mass = 5.59137530429 -0.0313214246798 -0.0573389978611 TCL: atom 1: phi = -0.375829324716 TCL: Center of mass = 5.59256448273 -0.0315731840127 -0.0570677978349 TCL: atom 1: phi = -0.374744094072 TCL: Center of mass = 5.59371898524 -0.0318381662522 -0.056776815424 TCL: atom 1: phi = -0.373762780278 TCL: Center of mass = 5.59484342975 -0.0321415299116 -0.0564652302434 TCL: atom 1: phi = -0.372648252754 TCL: Center of mass = 5.59595061145 -0.0324282551891 -0.0561390827711 TCL: atom 1: phi = -0.371735852582 LDB: LOAD: AVG 1.64965 MAX 5.32984 MSGS: TOTAL 80 MAXC 8 MAXP 10 None Warning: 1 processors are overloaded due to high background load. LDB: LOAD: AVG 1.64965 MAX 5.32984 MSGS: TOTAL 80 MAXC 8 MAXP 10 Refine TCL: Center of mass = 5.59705882385 -0.0327298823018 -0.0557763664088 TCL: atom 1: phi = -0.37066668038 TCL: Center of mass = 5.5981490563 -0.0330084054547 -0.0553711023494 TCL: atom 1: phi = -0.369854264594 WRITING COORDINATES TO DCD FILE AT STEP 4400 WRITING COORDINATES TO RESTART FILE AT STEP 4400 FINISHED WRITING RESTART COORDINATES TIMING: 4400 CPU: 234.481, 0.0536818/step Wall: 284.321, 0.0683326/step, 0.296108 hours remaining, 13604 kB of memory in use. ENERGY: 4400 3457.6962 2501.7752 374.2764 40.4745 -44884.9581 4250.2427 0.0000 0.0000 9685.5608 -24574.9322 287.1194 -24431.8466 -24428.5861 288.4604 959.2450 -1144.5520 125000.0000 -1177.4271 -1178.4261 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400 WRITING VELOCITIES TO RESTART FILE AT STEP 4400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.5992331164 -0.0332936338803 -0.0549312668297 TCL: atom 1: phi = -0.368992424139 TCL: Center of mass = 5.60031106979 -0.0335617424624 -0.0544692605213 TCL: atom 1: phi = -0.368317306547 TCL: Center of mass = 5.60138917858 -0.033847810402 -0.0539975704981 TCL: atom 1: phi = -0.367584450258 TCL: Center of mass = 5.60246709292 -0.0341376293354 -0.0535432966756 TCL: atom 1: phi = -0.367049165184 TCL: Center of mass = 5.60353989367 -0.0344445199545 -0.0530843454673 TCL: atom 1: phi = -0.366490296355 TCL: Center of mass = 5.60460212566 -0.0347538324231 -0.0526572668501 TCL: atom 1: phi = -0.366128723371 TCL: Center of mass = 5.60565051937 -0.0350685330773 -0.0522494563326 TCL: atom 1: phi = -0.365760481884 TCL: Center of mass = 5.60672781181 -0.0353741966002 -0.051874749663 TCL: atom 1: phi = -0.365644478531 TCL: Center of mass = 5.60779679075 -0.0357058267594 -0.0515206366355 TCL: atom 1: phi = -0.3655087115 TCL: Center of mass = 5.60889318585 -0.0360226186004 -0.0511917425461 TCL: atom 1: phi = -0.365535763932 TCL: Center of mass = 5.60999637591 -0.0363532015532 -0.0508773913295 TCL: atom 1: phi = -0.365532329231 TCL: Center of mass = 5.61109782118 -0.0366370564845 -0.0505970149878 TCL: atom 1: phi = -0.365709291405 TCL: Center of mass = 5.61218682653 -0.0369128964025 -0.0503128915066 TCL: atom 1: phi = -0.365783487417 TCL: Center of mass = 5.61325837381 -0.0371767128249 -0.0500444547534 TCL: atom 1: phi = -0.365901840915 TCL: Center of mass = 5.6143150652 -0.0374434766022 -0.0497861737936 TCL: atom 1: phi = -0.365892128519 TCL: Center of mass = 5.61537093562 -0.0377033598877 -0.049546389859 TCL: atom 1: phi = -0.365913964469 TCL: Center of mass = 5.6164057137 -0.037983271386 -0.0493077792593 TCL: atom 1: phi = -0.365776190213 TCL: Center of mass = 5.61745315839 -0.0382548021762 -0.0491127346674 TCL: atom 1: phi = -0.365685567571 TCL: Center of mass = 5.61849579405 -0.0385360736507 -0.0489295248423 TCL: atom 1: phi = -0.365421161906 TCL: Center of mass = 5.61954793192 -0.0388148603108 -0.0487855971093 TCL: atom 1: phi = -0.365167619157 TCL: Center of mass = 5.62059293323 -0.0390902458159 -0.0486245974002 TCL: atom 1: phi = -0.364767742731 TCL: Center of mass = 5.62164354597 -0.0393646153932 -0.0484621259936 TCL: atom 1: phi = -0.364358037104 TCL: Center of mass = 5.62271263849 -0.0396446048257 -0.0482844061471 TCL: atom 1: phi = -0.363781342949 TCL: Center of mass = 5.6237899982 -0.0399261432535 -0.0480895683658 TCL: atom 1: phi = -0.363178108578 TCL: Center of mass = 5.62484550336 -0.0401917338237 -0.0478584284626 TCL: atom 1: phi = -0.362449319 TCL: Center of mass = 5.62590375205 -0.040465498053 -0.0476484975545 TCL: atom 1: phi = -0.36181069279 TCL: Center of mass = 5.62696131667 -0.0407290500757 -0.0474582509812 TCL: atom 1: phi = -0.361145650854 TCL: Center of mass = 5.62803148337 -0.0409960613476 -0.0473044511188 TCL: atom 1: phi = -0.360680250996 TCL: Center of mass = 5.62909592846 -0.0412662184883 -0.0471366023824 TCL: atom 1: phi = -0.360256012321 TCL: Center of mass = 5.6301734478 -0.0415658126447 -0.0469961545453 TCL: atom 1: phi = -0.360035083425 TCL: Center of mass = 5.63125905103 -0.0418785235986 -0.0468757095292 TCL: atom 1: phi = -0.3598233507 TCL: Center of mass = 5.63237796374 -0.042197149214 -0.0467610776199 TCL: atom 1: phi = -0.359772623359 TCL: Center of mass = 5.63350586345 -0.0425100043915 -0.0466417743877 TCL: atom 1: phi = -0.359631385506 TCL: Center of mass = 5.63464050377 -0.0427958469126 -0.0465416140478 TCL: atom 1: phi = -0.35954993588 TCL: Center of mass = 5.63577129154 -0.0430614662919 -0.0464198863553 TCL: atom 1: phi = -0.359390394068 TCL: Center of mass = 5.63691193516 -0.0432970068797 -0.0463078688648 TCL: atom 1: phi = -0.359313058672 TCL: Center of mass = 5.63806385371 -0.0435438746584 -0.0461808022267 TCL: atom 1: phi = -0.359176440032 TCL: Center of mass = 5.63922502147 -0.0437920127029 -0.0460676988834 TCL: atom 1: phi = -0.359184493384 TCL: Center of mass = 5.64041408817 -0.0440771884287 -0.045941814833 TCL: atom 1: phi = -0.359062302618 TCL: Center of mass = 5.64162673814 -0.0443809083682 -0.0458463929529 TCL: atom 1: phi = -0.358956771837 TCL: Center of mass = 5.64285352867 -0.0447179716176 -0.0457334850718 TCL: atom 1: phi = -0.358723266384 TCL: Center of mass = 5.64408258049 -0.0450525311742 -0.0456289792365 TCL: atom 1: phi = -0.358554022482 TCL: Center of mass = 5.64529952431 -0.0453985487482 -0.0455038858932 TCL: atom 1: phi = -0.358278502584 TCL: Center of mass = 5.6465347078 -0.0457319739724 -0.0453604235896 TCL: atom 1: phi = -0.358042695917 TCL: Center of mass = 5.64776286307 -0.0460679435647 -0.0451807724436 TCL: atom 1: phi = -0.357720050224 TCL: Center of mass = 5.64898313496 -0.0463895230765 -0.0449882554705 TCL: atom 1: phi = -0.35757444639 TCL: Center of mass = 5.65021038745 -0.046736091011 -0.0447708798623 TCL: atom 1: phi = -0.357356127492 TCL: Center of mass = 5.65142426305 -0.0470947276194 -0.0445521999449 TCL: atom 1: phi = -0.357346643034 TCL: Center of mass = 5.65262627325 -0.0474960952012 -0.0443446382863 TCL: atom 1: phi = -0.357300609406 TCL: Center of mass = 5.65385011731 -0.0479089144357 -0.0441940906091 TCL: atom 1: phi = -0.357397767279 TCL: Center of mass = 5.65508966069 -0.0483583347574 -0.044052764457 TCL: atom 1: phi = -0.357413000503 TCL: Center of mass = 5.65635413817 -0.048818446131 -0.0439697346771 TCL: atom 1: phi = -0.357581057809 TCL: Center of mass = 5.65760631398 -0.049307241151 -0.043899933062 TCL: atom 1: phi = -0.357629907272 TCL: Center of mass = 5.65885700787 -0.0497649562213 -0.0438397222105 TCL: atom 1: phi = -0.357796733279 TCL: Center of mass = 5.66011228123 -0.0502066971173 -0.0437599348685 TCL: atom 1: phi = -0.357839636615 TCL: Center of mass = 5.66135106732 -0.0506083355745 -0.0436847701937 TCL: atom 1: phi = -0.357986309917 TCL: Center of mass = 5.6625936784 -0.0509878756819 -0.0435969931392 TCL: atom 1: phi = -0.358102698326 TCL: Center of mass = 5.66385133765 -0.05134544582 -0.0435092785555 TCL: atom 1: phi = -0.358466858978 TCL: Center of mass = 5.66510489197 -0.0517048535795 -0.0434044244146 TCL: atom 1: phi = -0.358841110217 TCL: Center of mass = 5.66635346179 -0.0520422520593 -0.0433000860072 TCL: atom 1: phi = -0.359414799181 TCL: Center of mass = 5.66758893105 -0.0523973971421 -0.043172129522 TCL: atom 1: phi = -0.359983297696 TCL: Center of mass = 5.66881937704 -0.052726732581 -0.0430524693111 TCL: atom 1: phi = -0.360637331502 TCL: Center of mass = 5.67005448698 -0.0530568170199 -0.0429074100604 TCL: atom 1: phi = -0.361229389435 TCL: Center of mass = 5.67129789158 -0.0533374396203 -0.0427635102055 TCL: atom 1: phi = -0.361983455263 TCL: Center of mass = 5.67254453055 -0.0535886924524 -0.0426009603307 TCL: atom 1: phi = -0.362737092375 TCL: Center of mass = 5.67378327699 -0.0537940807298 -0.042440364083 TCL: atom 1: phi = -0.363731854412 TCL: Center of mass = 5.67502781451 -0.0539652841056 -0.0422786020537 TCL: atom 1: phi = -0.364890701758 TCL: Center of mass = 5.67629097339 -0.0541198988266 -0.0421080323202 TCL: atom 1: phi = -0.366375646903 TCL: Center of mass = 5.67754904683 -0.0542635976568 -0.0419262718107 TCL: atom 1: phi = -0.368076213483 TCL: Center of mass = 5.67880351031 -0.0543849381563 -0.0417564586675 TCL: atom 1: phi = -0.370069874265 TCL: Center of mass = 5.68007642916 -0.0545025092111 -0.0415584531434 TCL: atom 1: phi = -0.372139210239 TCL: Center of mass = 5.68135739981 -0.0546224659739 -0.0413697835678 TCL: atom 1: phi = -0.374284441791 TCL: Center of mass = 5.68262740068 -0.0547634056333 -0.041200865446 TCL: atom 1: phi = -0.376344602694 TCL: Center of mass = 5.6838790652 -0.0549002064124 -0.0410398912289 TCL: atom 1: phi = -0.378405195004 TCL: Center of mass = 5.68512154378 -0.0550098807077 -0.040893987921 TCL: atom 1: phi = -0.380369778154 TCL: Center of mass = 5.68636842885 -0.0551066331045 -0.0407585053907 TCL: atom 1: phi = -0.382376960508 TCL: Center of mass = 5.68761241905 -0.0552083268271 -0.04062244806 TCL: atom 1: phi = -0.384314810443 TCL: Center of mass = 5.68885965228 -0.05528239698 -0.0405058266153 TCL: atom 1: phi = -0.386233165142 TCL: Center of mass = 5.69010181855 -0.0553580604629 -0.040368022637 TCL: atom 1: phi = -0.387987988097 TCL: Center of mass = 5.69134912647 -0.0554220922533 -0.0402055789403 TCL: atom 1: phi = -0.389629294973 TCL: Center of mass = 5.69262269916 -0.0554683289228 -0.0400135819073 TCL: atom 1: phi = -0.3909133756 TCL: Center of mass = 5.69392530107 -0.0554812230151 -0.039802547678 TCL: atom 1: phi = -0.391896916445 TCL: Center of mass = 5.69521888734 -0.0554751502316 -0.0395441555108 TCL: atom 1: phi = -0.392513366425 TCL: Center of mass = 5.69649183202 -0.055424926848 -0.0392674925383 TCL: atom 1: phi = -0.392838928282 TCL: Center of mass = 5.69777401278 -0.0553292345537 -0.0389979494229 TCL: atom 1: phi = -0.392852084684 TCL: Center of mass = 5.69906511556 -0.0551873410755 -0.0387485516597 TCL: atom 1: phi = -0.392767025425 TCL: Center of mass = 5.70034748828 -0.055025967377 -0.0384888761768 TCL: atom 1: phi = -0.392584733522 TCL: Center of mass = 5.7016393735 -0.0548006402522 -0.0382362041018 TCL: atom 1: phi = -0.392487592364 TCL: Center of mass = 5.70294825259 -0.0545492814078 -0.0379830344156 TCL: atom 1: phi = -0.392370524137 TCL: Center of mass = 5.70424260292 -0.0542463680824 -0.0377537963185 TCL: atom 1: phi = -0.392382419768 TCL: Center of mass = 5.70551347048 -0.0539292478334 -0.0375317462804 TCL: atom 1: phi = -0.392379127624 TCL: Center of mass = 5.70677452317 -0.0535829585549 -0.0373215692 TCL: atom 1: phi = -0.392387633655 TCL: Center of mass = 5.70799626629 -0.0532123160391 -0.0370979225894 TCL: atom 1: phi = -0.392255514328 TCL: Center of mass = 5.70921426846 -0.0528137802871 -0.0368987540033 TCL: atom 1: phi = -0.392138059905 TCL: Center of mass = 5.7104072864 -0.0524152506401 -0.036731110286 TCL: atom 1: phi = -0.391872066074 TCL: Center of mass = 5.71159298165 -0.0520022788163 -0.0366065151887 TCL: atom 1: phi = -0.391629270447 TCL: Center of mass = 5.71277847892 -0.0515912116476 -0.0365182568882 TCL: atom 1: phi = -0.39135611677 TCL: Center of mass = 5.71395236141 -0.0511936110504 -0.0364782989697 TCL: atom 1: phi = -0.391227316556 TCL: Center of mass = 5.71511724295 -0.0508242111455 -0.0364730975749 TCL: atom 1: phi = -0.391126810579 TCL: Center of mass = 5.71625778928 -0.0504643026104 -0.0364896960024 TCL: atom 1: phi = -0.391193288172 WRITING COORDINATES TO DCD FILE AT STEP 4500 WRITING COORDINATES TO RESTART FILE AT STEP 4500 FINISHED WRITING RESTART COORDINATES TIMING: 4500 CPU: 239.817, 0.0533519/step Wall: 290.648, 0.063265/step, 0.272391 hours remaining, 13604 kB of memory in use. ENERGY: 4500 3471.7655 2415.8709 390.2980 45.4548 -44841.4485 4197.4161 0.0000 0.0000 9754.2533 -24566.3901 289.1558 -24423.6523 -24418.6245 289.2118 297.6551 -1637.1674 125000.0000 -1316.1607 -1315.5992 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500 WRITING VELOCITIES TO RESTART FILE AT STEP 4500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.71738375668 -0.0501472924148 -0.03651285116 TCL: atom 1: phi = -0.391138385929 TCL: Center of mass = 5.71848251698 -0.049836656704 -0.0365442282506 TCL: atom 1: phi = -0.391047921524 TCL: Center of mass = 5.71954536744 -0.0495777836491 -0.0365552629639 TCL: atom 1: phi = -0.390771257509 TCL: Center of mass = 5.7205830372 -0.049320361326 -0.0365408341874 TCL: atom 1: phi = -0.390312004246 TCL: Center of mass = 5.72161220594 -0.0490979280621 -0.0365078875809 TCL: atom 1: phi = -0.389636014332 TCL: Center of mass = 5.72264056352 -0.048901561842 -0.0364774142059 TCL: atom 1: phi = -0.388920492929 TCL: Center of mass = 5.72367292508 -0.048730953304 -0.0364517699753 TCL: atom 1: phi = -0.388246156601 TCL: Center of mass = 5.72471448589 -0.0485761753442 -0.0364630298723 TCL: atom 1: phi = -0.387673984689 TCL: Center of mass = 5.72576019887 -0.0484684406551 -0.0364859316 TCL: atom 1: phi = -0.387215751576 TCL: Center of mass = 5.7268153941 -0.0483850055467 -0.036528334183 TCL: atom 1: phi = -0.386878718946 TCL: Center of mass = 5.72789423052 -0.0483282421997 -0.0365801930359 TCL: atom 1: phi = -0.386615063675 TCL: Center of mass = 5.72899196008 -0.0482789326006 -0.0366472622582 TCL: atom 1: phi = -0.386352599821 TCL: Center of mass = 5.73010880721 -0.048229694291 -0.0367168398813 TCL: atom 1: phi = -0.386018109601 TCL: Center of mass = 5.73123744139 -0.0481630614592 -0.0368001214274 TCL: atom 1: phi = -0.385633351107 TCL: Center of mass = 5.73237612362 -0.0480910187437 -0.0369008557657 TCL: atom 1: phi = -0.385233582287 TCL: Center of mass = 5.73354568707 -0.048005908691 -0.0370189953656 TCL: atom 1: phi = -0.384857300461 TCL: Center of mass = 5.73472757161 -0.0479352379217 -0.0371386035133 TCL: atom 1: phi = -0.384524454866 TCL: Center of mass = 5.73595179189 -0.047891899196 -0.0372974502974 TCL: atom 1: phi = -0.384348970803 TCL: Center of mass = 5.73720261665 -0.0478759166818 -0.037495158766 TCL: atom 1: phi = -0.384423293552 TCL: Center of mass = 5.73847011408 -0.0478660917312 -0.0377365006617 TCL: atom 1: phi = -0.384683389985 TCL: Center of mass = 5.73973861957 -0.0478561224293 -0.0379829062232 TCL: atom 1: phi = -0.384995383394 TCL: Center of mass = 5.74099045462 -0.0478422878564 -0.0382593478783 TCL: atom 1: phi = -0.3853230057 TCL: Center of mass = 5.74221427052 -0.0478176205265 -0.0385309979477 TCL: atom 1: phi = -0.385492105373 TCL: Center of mass = 5.74341404793 -0.0477781220535 -0.0388086301105 TCL: atom 1: phi = -0.385560202454 TCL: Center of mass = 5.74457528513 -0.0477346733623 -0.0390903135243 TCL: atom 1: phi = -0.385448889651 TCL: Center of mass = 5.74571644573 -0.0476926367367 -0.0393961788115 TCL: atom 1: phi = -0.385329239685 TCL: Center of mass = 5.7468464219 -0.047640972692 -0.0397125536603 TCL: atom 1: phi = -0.385098475305 TCL: Center of mass = 5.7479551118 -0.0476193591012 -0.0400594832406 TCL: atom 1: phi = -0.384998679309 TCL: Center of mass = 5.74903178927 -0.0476309404186 -0.0404236473456 TCL: atom 1: phi = -0.385020960794 TCL: Center of mass = 5.75009956985 -0.0476837128894 -0.040794463028 TCL: atom 1: phi = -0.385146931384 TCL: Center of mass = 5.75114998357 -0.0477591557026 -0.0411846231175 TCL: atom 1: phi = -0.38528108395 TCL: Center of mass = 5.75217044596 -0.0478494770641 -0.0415839015232 TCL: atom 1: phi = -0.385350433704 TCL: Center of mass = 5.75315435839 -0.0479357071254 -0.0419947101861 TCL: atom 1: phi = -0.385236337822 TCL: Center of mass = 5.75410499522 -0.0480147861921 -0.0424007166417 TCL: atom 1: phi = -0.385046322081 TCL: Center of mass = 5.75503052604 -0.0480882641788 -0.0427997720662 TCL: atom 1: phi = -0.38476878875 TCL: Center of mass = 5.75594593361 -0.0481649149381 -0.0431777225154 TCL: atom 1: phi = -0.384561169234 TCL: Center of mass = 5.75687949431 -0.0482946711249 -0.0435674688929 TCL: atom 1: phi = -0.384429286827 TCL: Center of mass = 5.75784616741 -0.0484471019268 -0.0439696601473 TCL: atom 1: phi = -0.384509850059 TCL: Center of mass = 5.75884210572 -0.0486552185526 -0.0443893615591 TCL: atom 1: phi = -0.38479309019 TCL: Center of mass = 5.75987160049 -0.0489090022924 -0.0448106690746 TCL: atom 1: phi = -0.385250816285 TCL: Center of mass = 5.76094221591 -0.0492007667912 -0.0452232077697 TCL: atom 1: phi = -0.385768314633 TCL: Center of mass = 5.76203901911 -0.0494897514074 -0.0456361399187 TCL: atom 1: phi = -0.386317235405 TCL: Center of mass = 5.76316846264 -0.0497593073389 -0.046025590488 TCL: atom 1: phi = -0.386752539878 TCL: Center of mass = 5.76430515355 -0.0499960846652 -0.0463922740131 TCL: atom 1: phi = -0.38702371442 TCL: Center of mass = 5.76545869511 -0.0501980086348 -0.0467474837798 TCL: atom 1: phi = -0.387060610176 TCL: Center of mass = 5.76660177089 -0.0503540863354 -0.0470496601999 TCL: atom 1: phi = -0.386958782908 TCL: Center of mass = 5.76776345226 -0.0504950612648 -0.0473278128948 TCL: atom 1: phi = -0.386754208674 TCL: Center of mass = 5.76893127114 -0.0506324262585 -0.0475692367105 TCL: atom 1: phi = -0.386550884793 TCL: Center of mass = 5.77009359352 -0.0507934203081 -0.0477642700277 TCL: atom 1: phi = -0.386397699622 TCL: Center of mass = 5.7712434247 -0.0509710050484 -0.04791030758 TCL: atom 1: phi = -0.386353416965 TCL: Center of mass = 5.77239653834 -0.0511933176802 -0.0480204355124 TCL: atom 1: phi = -0.386287413725 TCL: Center of mass = 5.77354401991 -0.0514294648633 -0.0480968322561 TCL: atom 1: phi = -0.386202055456 TCL: Center of mass = 5.77467209634 -0.0516949015649 -0.0481426261714 TCL: atom 1: phi = -0.385998932358 TCL: Center of mass = 5.77579058312 -0.0519585057774 -0.0481852985277 TCL: atom 1: phi = -0.385659623767 TCL: Center of mass = 5.77689253233 -0.0522226325618 -0.0482106767536 TCL: atom 1: phi = -0.385111432366 TCL: Center of mass = 5.7779842654 -0.0524704615472 -0.0482310816553 TCL: atom 1: phi = -0.384537984447 TCL: Center of mass = 5.77907000247 -0.0527274272955 -0.0482271719424 TCL: atom 1: phi = -0.383974071206 TCL: Center of mass = 5.7801261759 -0.052985570845 -0.0482276042001 TCL: atom 1: phi = -0.383578283624 TCL: Center of mass = 5.78117337146 -0.0532861701495 -0.0482146296035 TCL: atom 1: phi = -0.383309374083 TCL: Center of mass = 5.78223059411 -0.0536432096485 -0.048180339015 TCL: atom 1: phi = -0.383263465348 TCL: Center of mass = 5.78328249789 -0.0540492880381 -0.0481161952334 TCL: atom 1: phi = -0.383352888336 TCL: Center of mass = 5.78433379253 -0.0545010615909 -0.0480366307063 TCL: atom 1: phi = -0.383520772721 TCL: Center of mass = 5.785400645 -0.0550165982444 -0.0479380748345 TCL: atom 1: phi = -0.383608612072 TCL: Center of mass = 5.78649084319 -0.0555529465524 -0.0478392202063 TCL: atom 1: phi = -0.38351016865 TCL: Center of mass = 5.78760949455 -0.0561004019355 -0.0477415219611 TCL: atom 1: phi = -0.383215326436 TCL: Center of mass = 5.78877319151 -0.0566143588007 -0.0476595544138 TCL: atom 1: phi = -0.382761653023 TCL: Center of mass = 5.78996079446 -0.0571261540125 -0.0475837801525 TCL: atom 1: phi = -0.382143997254 TCL: Center of mass = 5.79115488004 -0.0576213458712 -0.0474801980576 TCL: atom 1: phi = -0.381474726978 TCL: Center of mass = 5.7923628989 -0.0581146085717 -0.0473632654831 TCL: atom 1: phi = -0.380798780553 TCL: Center of mass = 5.79357517766 -0.058588835261 -0.0471952850633 TCL: atom 1: phi = -0.380253200382 TCL: Center of mass = 5.79476105589 -0.0590694436593 -0.0469689490859 TCL: atom 1: phi = -0.379710309409 TCL: Center of mass = 5.79593738797 -0.0595524181292 -0.0467047690363 TCL: atom 1: phi = -0.379245362807 TCL: Center of mass = 5.79710535883 -0.0600449585234 -0.0463914728757 TCL: atom 1: phi = -0.378698263648 TCL: Center of mass = 5.79827029622 -0.0605114298271 -0.0460557143624 TCL: atom 1: phi = -0.378084827827 TCL: Center of mass = 5.79942318054 -0.0609802946551 -0.0456975834421 TCL: atom 1: phi = -0.377297478956 TCL: Center of mass = 5.800574955 -0.0614459168229 -0.0453313832973 TCL: atom 1: phi = -0.376453388906 TCL: Center of mass = 5.80170207065 -0.0619209802667 -0.0449886108891 TCL: atom 1: phi = -0.375577083565 TCL: Center of mass = 5.80281734455 -0.0623893038017 -0.0446579912381 TCL: atom 1: phi = -0.374903421909 TCL: Center of mass = 5.80391655363 -0.0628688429529 -0.0443232036026 TCL: atom 1: phi = -0.374400957377 TCL: Center of mass = 5.80499502641 -0.0633683888265 -0.0439840759196 TCL: atom 1: phi = -0.374213529808 TCL: Center of mass = 5.80603966729 -0.0638948474244 -0.0436448584691 TCL: atom 1: phi = -0.374224870054 TCL: Center of mass = 5.80706708149 -0.0644528938111 -0.0433038370753 TCL: atom 1: phi = -0.374483084293 TCL: Center of mass = 5.80807448162 -0.065036894218 -0.0429607477202 TCL: atom 1: phi = -0.374709544769 TCL: Center of mass = 5.80909424192 -0.0656149166056 -0.0426288602969 TCL: atom 1: phi = -0.374975702499 TCL: Center of mass = 5.81012997756 -0.0662011445595 -0.0423198339625 TCL: atom 1: phi = -0.375096155165 TCL: Center of mass = 5.81120280146 -0.0667695862452 -0.0420347380059 TCL: atom 1: phi = -0.375186281238 TCL: Center of mass = 5.81230665233 -0.0673504649288 -0.0417631560352 TCL: atom 1: phi = -0.375253975832 TCL: Center of mass = 5.81344146926 -0.0679132892042 -0.0415125632931 TCL: atom 1: phi = -0.375438812153 TCL: Center of mass = 5.81460363745 -0.0684864742339 -0.0412729219293 TCL: atom 1: phi = -0.375710932695 TCL: Center of mass = 5.81575678146 -0.0690230779379 -0.0410342551767 TCL: atom 1: phi = -0.376169576497 TCL: Center of mass = 5.81688237021 -0.0695750664593 -0.0407962618056 TCL: atom 1: phi = -0.376693895915 TCL: Center of mass = 5.81798480115 -0.0700645772361 -0.0405467442333 TCL: atom 1: phi = -0.377273714244 TCL: Center of mass = 5.8190797276 -0.0705055986502 -0.0402800621132 TCL: atom 1: phi = -0.377726102164 TCL: Center of mass = 5.8201665955 -0.0708924069073 -0.0400048717253 TCL: atom 1: phi = -0.377974614138 TCL: Center of mass = 5.82124664418 -0.0712662344219 -0.0397284884573 TCL: atom 1: phi = -0.37795278237 TCL: Center of mass = 5.82231577423 -0.0715987553002 -0.0394854727784 TCL: atom 1: phi = -0.377707331041 TCL: Center of mass = 5.82340568515 -0.0719355661219 -0.039250504448 TCL: atom 1: phi = -0.37727423745 TCL: Center of mass = 5.82451926329 -0.0722422253643 -0.0390292564973 TCL: atom 1: phi = -0.376866129634 TCL: Center of mass = 5.82564579786 -0.0725509703591 -0.0388206608221 TCL: atom 1: phi = -0.37652264754 TCL: Center of mass = 5.82676661653 -0.0728483291452 -0.0386209721001 TCL: atom 1: phi = -0.376328356457 WRITING COORDINATES TO DCD FILE AT STEP 4600 WRITING COORDINATES TO RESTART FILE AT STEP 4600 FINISHED WRITING RESTART COORDINATES TIMING: 4600 CPU: 245.143, 0.0532619/step Wall: 296.909, 0.062615/step, 0.267853 hours remaining, 13604 kB of memory in use. ENERGY: 4600 3442.0851 2414.2784 369.8533 27.9917 -44884.5151 4320.4494 0.0000 0.0000 9755.1170 -24554.7403 289.1814 -24411.1223 -24409.1478 288.8884 869.9925 -1075.1629 125000.0000 -1185.8635 -1187.9196 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600 WRITING VELOCITIES TO RESTART FILE AT STEP 4600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.82786610128 -0.0731601175085 -0.0384403919098 TCL: atom 1: phi = -0.376236177568 TCL: Center of mass = 5.82893663392 -0.0734488324902 -0.0382804032615 TCL: atom 1: phi = -0.376289656388 TCL: Center of mass = 5.82998737989 -0.0737389007442 -0.0381015199297 TCL: atom 1: phi = -0.376346120397 TCL: Center of mass = 5.83102743299 -0.0740188281894 -0.0379383081401 TCL: atom 1: phi = -0.376352390974 TCL: Center of mass = 5.8320752412 -0.074328535565 -0.0377820437413 TCL: atom 1: phi = -0.376275195265 TCL: Center of mass = 5.8331634747 -0.0746704778071 -0.0376468925849 TCL: atom 1: phi = -0.376097746525 TCL: Center of mass = 5.83428648056 -0.0750590747729 -0.0374983906559 TCL: atom 1: phi = -0.375861286411 TCL: Center of mass = 5.83545733674 -0.0754705209687 -0.0373634057274 TCL: atom 1: phi = -0.375643066231 TCL: Center of mass = 5.83664970087 -0.0759287502154 -0.0372094797922 TCL: atom 1: phi = -0.375428427595 TCL: Center of mass = 5.83785115166 -0.0764224058739 -0.0370578767616 TCL: atom 1: phi = -0.375315131728 TCL: Center of mass = 5.83906221952 -0.0769290512189 -0.0369008772111 TCL: atom 1: phi = -0.375292867803 TCL: Center of mass = 5.84027905841 -0.0774039206249 -0.0367479130018 TCL: atom 1: phi = -0.375392087895 TCL: Center of mass = 5.8414817255 -0.077878110345 -0.0365977797903 TCL: atom 1: phi = -0.375444693718 TCL: Center of mass = 5.84268127191 -0.0783191844195 -0.0364415729792 TCL: atom 1: phi = -0.375416317557 TCL: Center of mass = 5.8438418768 -0.0787583188456 -0.0362882878899 TCL: atom 1: phi = -0.375206141082 TCL: Center of mass = 5.84500499422 -0.079162447481 -0.0361234614752 TCL: atom 1: phi = -0.374828340744 TCL: Center of mass = 5.84614835874 -0.0795615259858 -0.0359580859366 TCL: atom 1: phi = -0.374327031254 TCL: Center of mass = 5.84728501639 -0.0799471446679 -0.0357654421128 TCL: atom 1: phi = -0.373863127903 TCL: Center of mass = 5.84841319243 -0.0803248719778 -0.0355513844338 TCL: atom 1: phi = -0.373493675488 TCL: Center of mass = 5.84955948021 -0.0806593745356 -0.0353228382339 TCL: atom 1: phi = -0.373382894998 TCL: Center of mass = 5.85066879518 -0.0809795939208 -0.0350799960466 TCL: atom 1: phi = -0.373429526677 TCL: Center of mass = 5.85175265588 -0.0812325389257 -0.0348412522417 TCL: atom 1: phi = -0.37361344388 TCL: Center of mass = 5.85280960267 -0.0814582372975 -0.0346145005701 TCL: atom 1: phi = -0.37383973984 TCL: Center of mass = 5.85383686821 -0.0816273223272 -0.0344184310338 TCL: atom 1: phi = -0.374095656192 TCL: Center of mass = 5.85482515173 -0.0817941861055 -0.034231169317 TCL: atom 1: phi = -0.374226872685 TCL: Center of mass = 5.8557989147 -0.0819284113929 -0.0340778058215 TCL: atom 1: phi = -0.374288341336 TCL: Center of mass = 5.85674059704 -0.0820481372631 -0.0339427122813 TCL: atom 1: phi = -0.374167109792 TCL: Center of mass = 5.85770985226 -0.0821688116763 -0.033823375317 TCL: atom 1: phi = -0.373977192608 TCL: Center of mass = 5.85866406595 -0.0823202697441 -0.0337029272885 TCL: atom 1: phi = -0.373630467358 TCL: Center of mass = 5.85966725613 -0.0824614474722 -0.0336080461633 TCL: atom 1: phi = -0.373287521148 TCL: Center of mass = 5.86068116069 -0.0826263156008 -0.0334998953855 TCL: atom 1: phi = -0.372810022919 TCL: Center of mass = 5.86170986553 -0.0827659911599 -0.0334215692784 TCL: atom 1: phi = -0.372351506725 TCL: Center of mass = 5.86274927494 -0.0828799724089 -0.0333556430216 TCL: atom 1: phi = -0.371805945567 TCL: Center of mass = 5.86380519135 -0.0829361784917 -0.0333119479703 TCL: atom 1: phi = -0.371218936872 TCL: Center of mass = 5.86485797165 -0.0829857338261 -0.0332668418933 TCL: atom 1: phi = -0.370430378371 TCL: Center of mass = 5.8659516052 -0.0830347891557 -0.0332596551566 TCL: atom 1: phi = -0.369452241532 TCL: Center of mass = 5.86703807708 -0.0830885099731 -0.0332481759519 TCL: atom 1: phi = -0.368181736368 TCL: Center of mass = 5.86812885289 -0.0831364687066 -0.0332549599605 TCL: atom 1: phi = -0.366783982306 TCL: Center of mass = 5.8692190601 -0.0832218712042 -0.0332503643738 TCL: atom 1: phi = -0.365265364917 TCL: Center of mass = 5.87033260317 -0.0833440498122 -0.0332455683687 TCL: atom 1: phi = -0.363795786891 TCL: Center of mass = 5.87145882298 -0.0834994977645 -0.0331945064178 TCL: atom 1: phi = -0.362358710627 TCL: Center of mass = 5.87259861955 -0.0836510101749 -0.0331494615567 TCL: atom 1: phi = -0.361134652856 TCL: Center of mass = 5.87375452009 -0.0838246561109 -0.0330719682697 TCL: atom 1: phi = -0.36002616747 TCL: Center of mass = 5.87491023137 -0.0840034158043 -0.0329875316342 TCL: atom 1: phi = -0.359133276442 TCL: Center of mass = 5.87606181656 -0.08420126076 -0.0328747482946 TCL: atom 1: phi = -0.358299091307 TCL: Center of mass = 5.87719789589 -0.0844009445246 -0.0327536743059 TCL: atom 1: phi = -0.357676105139 TCL: Center of mass = 5.87834099316 -0.0846450922453 -0.0326280924772 TCL: atom 1: phi = -0.357179820733 TCL: Center of mass = 5.87949549484 -0.084897481148 -0.0324982388445 TCL: atom 1: phi = -0.356894347008 TCL: Center of mass = 5.88065660624 -0.0851815081331 -0.0323440217998 TCL: atom 1: phi = -0.356709298185 TCL: Center of mass = 5.88181287229 -0.0854656751567 -0.0321716350638 TCL: atom 1: phi = -0.35680353697 TCL: Center of mass = 5.88295738753 -0.0857914878955 -0.0319544520234 TCL: atom 1: phi = -0.357052274501 TCL: Center of mass = 5.88410302808 -0.0861103949549 -0.0317317864686 TCL: atom 1: phi = -0.357487403323 TCL: Center of mass = 5.88525209013 -0.0864436479848 -0.0314998666803 TCL: atom 1: phi = -0.357948749771 TCL: Center of mass = 5.88639834087 -0.0867707332376 -0.0312873457402 TCL: atom 1: phi = -0.358523309885 TCL: Center of mass = 5.88754446017 -0.0871005244328 -0.0310797927598 TCL: atom 1: phi = -0.358981295778 TCL: Center of mass = 5.88869585113 -0.0874328042915 -0.0308975085943 TCL: atom 1: phi = -0.359364553866 TCL: Center of mass = 5.88985336025 -0.0877859807135 -0.0307339481265 TCL: atom 1: phi = -0.35948456675 TCL: Center of mass = 5.8910024395 -0.0881366629549 -0.0305927556993 TCL: atom 1: phi = -0.359406801377 TCL: Center of mass = 5.89216036271 -0.0884969187076 -0.030466836423 TCL: atom 1: phi = -0.3590839992 TCL: Center of mass = 5.89327666107 -0.0888471322035 -0.0303797206723 TCL: atom 1: phi = -0.358719953197 TCL: Center of mass = 5.89436895072 -0.0892292236793 -0.0302617643641 TCL: atom 1: phi = -0.358120099754 TCL: Center of mass = 5.89544736827 -0.089588026013 -0.0301554270532 TCL: atom 1: phi = -0.35747607675 TCL: Center of mass = 5.89652732907 -0.0899783195707 -0.0300415607712 TCL: atom 1: phi = -0.356688316276 TCL: Center of mass = 5.89760919171 -0.0903559449811 -0.029959950448 TCL: atom 1: phi = -0.355936259042 TCL: Center of mass = 5.89869894602 -0.0907850377776 -0.0298566959073 TCL: atom 1: phi = -0.355014578193 TCL: Center of mass = 5.8997991673 -0.0912340508577 -0.0297602681746 TCL: atom 1: phi = -0.354165600776 TCL: Center of mass = 5.90091403597 -0.0917339680552 -0.029650120894 TCL: atom 1: phi = -0.353173531533 TCL: Center of mass = 5.90203669874 -0.0922363853774 -0.0295377886063 TCL: atom 1: phi = -0.352294118739 TCL: Center of mass = 5.90315434875 -0.0927755479909 -0.0294056470599 TCL: atom 1: phi = -0.351292653902 TCL: Center of mass = 5.90426452686 -0.0932989626163 -0.0292686048226 TCL: atom 1: phi = -0.350454809582 TCL: Center of mass = 5.90536873921 -0.0938257671489 -0.0291188820897 TCL: atom 1: phi = -0.349552803699 TCL: Center of mass = 5.90647088788 -0.0943414068968 -0.0289607256756 TCL: atom 1: phi = -0.348827981631 TCL: Center of mass = 5.90757928168 -0.0948762758563 -0.0287872020464 TCL: atom 1: phi = -0.347985563311 TCL: Center of mass = 5.90868597036 -0.0953889247188 -0.0285742675502 TCL: atom 1: phi = -0.347343347145 TCL: Center of mass = 5.90980985129 -0.0959337118582 -0.0283366433925 TCL: atom 1: phi = -0.34658531564 TCL: Center of mass = 5.91099554181 -0.0964816526257 -0.0280922419765 TCL: atom 1: phi = -0.345918754294 TCL: Center of mass = 5.91224275912 -0.0970632399079 -0.027838622799 TCL: atom 1: phi = -0.34510443556 TCL: Center of mass = 5.91350284359 -0.0976182933512 -0.0275753373179 TCL: atom 1: phi = -0.344370809055 TCL: Center of mass = 5.91478360591 -0.0981745463347 -0.0272882603741 TCL: atom 1: phi = -0.343479354375 TCL: Center of mass = 5.91605205888 -0.0987078120959 -0.0270093385136 TCL: atom 1: phi = -0.342757614466 TCL: Center of mass = 5.91730784917 -0.0992375034466 -0.0267142874159 TCL: atom 1: phi = -0.341919381277 TCL: Center of mass = 5.91855009036 -0.09970057705 -0.0264340870554 TCL: atom 1: phi = -0.341353078919 TCL: Center of mass = 5.91976636118 -0.100144038069 -0.0261455664062 TCL: atom 1: phi = -0.34081587194 TCL: Center of mass = 5.92095839516 -0.100551437724 -0.0258670840321 TCL: atom 1: phi = -0.340550279035 TCL: Center of mass = 5.92214981697 -0.100954480139 -0.0255845009667 TCL: atom 1: phi = -0.340214196803 TCL: Center of mass = 5.92337166002 -0.101341691476 -0.025306191666 TCL: atom 1: phi = -0.340083012336 TCL: Center of mass = 5.92462804472 -0.101725042446 -0.0250410723058 TCL: atom 1: phi = -0.339881428113 TCL: Center of mass = 5.92590170534 -0.102080253344 -0.0247914587871 TCL: atom 1: phi = -0.339847581603 TCL: Center of mass = 5.92719409208 -0.102452458239 -0.0245476989554 TCL: atom 1: phi = -0.339676076947 TCL: Center of mass = 5.92849988812 -0.102790240886 -0.0243110096859 TCL: atom 1: phi = -0.339736929696 TCL: Center of mass = 5.92979978201 -0.103105495378 -0.0240489354139 TCL: atom 1: phi = -0.339630911329 TCL: Center of mass = 5.93109427181 -0.103396292897 -0.0238178727879 TCL: atom 1: phi = -0.339659468829 TCL: Center of mass = 5.93236236248 -0.103676642445 -0.023593188363 TCL: atom 1: phi = -0.339468536042 TCL: Center of mass = 5.93361815136 -0.103917914178 -0.0233787694948 TCL: atom 1: phi = -0.339371698259 TCL: Center of mass = 5.9348716528 -0.104146358888 -0.0231608971183 TCL: atom 1: phi = -0.338951671803 TCL: Center of mass = 5.93615413489 -0.104377295128 -0.0229343803325 TCL: atom 1: phi = -0.338566034051 TCL: Center of mass = 5.93746310762 -0.104643994677 -0.0226991850692 TCL: atom 1: phi = -0.337785726072 TCL: Center of mass = 5.9388142719 -0.104904094508 -0.0224504662155 TCL: atom 1: phi = -0.336999325193 TCL: Center of mass = 5.94021777902 -0.105199477235 -0.0222136447742 TCL: atom 1: phi = -0.33591407148 TCL: Center of mass = 5.94165477988 -0.105497780212 -0.0219798009056 TCL: atom 1: phi = -0.334876656039 WRITING COORDINATES TO DCD FILE AT STEP 4700 WRITING COORDINATES TO RESTART FILE AT STEP 4700 FINISHED WRITING RESTART COORDINATES TIMING: 4700 CPU: 250.466, 0.0532319/step Wall: 303.172, 0.0626268/step, 0.266164 hours remaining, 13604 kB of memory in use. ENERGY: 4700 3404.4139 2468.3049 377.4865 41.7227 -44789.2532 4184.7830 0.0000 0.0000 9796.4777 -24516.0644 290.4075 -24373.9721 -24365.5293 288.9155 899.8732 -1156.3867 125000.0000 -1183.4180 -1182.9584 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700 WRITING VELOCITIES TO RESTART FILE AT STEP 4700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.94311106436 -0.10583472538 -0.0217322883642 TCL: atom 1: phi = -0.333643712294 TCL: Center of mass = 5.94457477291 -0.106168079711 -0.0214873524193 TCL: atom 1: phi = -0.332691939065 TCL: Center of mass = 5.94602961945 -0.106503182055 -0.0212179398597 TCL: atom 1: phi = -0.331710825564 TCL: Center of mass = 5.94747042862 -0.10684094752 -0.0209677231918 TCL: atom 1: phi = -0.331087617222 TCL: Center of mass = 5.94890155295 -0.107204031318 -0.0207101138314 TCL: atom 1: phi = -0.330487731413 TCL: Center of mass = 5.95031661051 -0.107578219159 -0.0204653072159 TCL: atom 1: phi = -0.330263513597 TCL: Center of mass = 5.95173689552 -0.107993820572 -0.0202056768325 TCL: atom 1: phi = -0.329995944799 TCL: Center of mass = 5.95316811332 -0.108439379296 -0.0199321397025 TCL: atom 1: phi = -0.330146882403 TCL: Center of mass = 5.95461438014 -0.108925270421 -0.0196334817482 TCL: atom 1: phi = -0.330338601561 TCL: Center of mass = 5.95604498719 -0.109426255025 -0.0193463813125 TCL: atom 1: phi = -0.330980772323 TCL: Center of mass = 5.957481493 -0.109944933938 -0.0190735038161 TCL: atom 1: phi = -0.331770261085 TCL: Center of mass = 5.95889973531 -0.110466574077 -0.018840239646 TCL: atom 1: phi = -0.333122142659 TCL: Center of mass = 5.96028561982 -0.110986198894 -0.0186257043796 TCL: atom 1: phi = -0.334510765575 TCL: Center of mass = 5.96165241385 -0.111510690598 -0.018444909674 TCL: atom 1: phi = -0.336238223754 TCL: Center of mass = 5.96300602991 -0.112042177992 -0.0182765954656 TCL: atom 1: phi = -0.337854089521 TCL: Center of mass = 5.96433455226 -0.112573830949 -0.0181176801088 TCL: atom 1: phi = -0.339731528117 TCL: Center of mass = 5.96567451927 -0.113081174536 -0.0179654836496 TCL: atom 1: phi = -0.341447026199 TCL: Center of mass = 5.96700422368 -0.113569295769 -0.0178229215829 TCL: atom 1: phi = -0.343265494317 TCL: Center of mass = 5.96835045766 -0.114069782463 -0.0176727727983 TCL: atom 1: phi = -0.344850601367 TCL: Center of mass = 5.96970528819 -0.114547964324 -0.0175278828224 TCL: atom 1: phi = -0.34648957508 TCL: Center of mass = 5.97106966496 -0.115027599466 -0.0173785282982 TCL: atom 1: phi = -0.347838446465 TCL: Center of mass = 5.97239072396 -0.115493335758 -0.0172092860873 TCL: atom 1: phi = -0.34927058724 TCL: Center of mass = 5.97370081801 -0.115969647434 -0.0170355020117 TCL: atom 1: phi = -0.350484457612 TCL: Center of mass = 5.97498546789 -0.116443017168 -0.0168694172307 TCL: atom 1: phi = -0.351709697999 TCL: Center of mass = 5.97625500077 -0.116928260079 -0.0166813549684 TCL: atom 1: phi = -0.352714160329 TCL: Center of mass = 5.97748033758 -0.117397798108 -0.0165145954477 TCL: atom 1: phi = -0.353816893941 TCL: Center of mass = 5.9786871237 -0.117866829129 -0.0163480721972 TCL: atom 1: phi = -0.354768938469 TCL: Center of mass = 5.97985601511 -0.118321649854 -0.0161993198754 TCL: atom 1: phi = -0.355759902682 TCL: Center of mass = 5.98101309142 -0.118762642573 -0.0160752021517 TCL: atom 1: phi = -0.356594458201 TCL: Center of mass = 5.98215811124 -0.119194786112 -0.0159826897561 TCL: atom 1: phi = -0.357459520715 TCL: Center of mass = 5.98327363607 -0.119632540587 -0.0159201169292 TCL: atom 1: phi = -0.358143601634 TCL: Center of mass = 5.9843557538 -0.120055912984 -0.0158955862908 TCL: atom 1: phi = -0.358991069539 TCL: Center of mass = 5.98544634306 -0.120508371349 -0.0158911395019 TCL: atom 1: phi = -0.359737678486 TCL: Center of mass = 5.98653823624 -0.120947616307 -0.0159124474531 TCL: atom 1: phi = -0.360611878221 TCL: Center of mass = 5.98766963612 -0.12139582165 -0.0159416600216 TCL: atom 1: phi = -0.361351205899 TCL: Center of mass = 5.98880576862 -0.121819262855 -0.0159974130995 TCL: atom 1: phi = -0.362113820261 TCL: Center of mass = 5.98995640019 -0.122249082609 -0.0160668550698 TCL: atom 1: phi = -0.36271414083 TCL: Center of mass = 5.99111931331 -0.12263339122 -0.0161651022817 TCL: atom 1: phi = -0.363354233222 TCL: Center of mass = 5.99230742875 -0.123019784509 -0.0162648785701 TCL: atom 1: phi = -0.363845755521 TCL: Center of mass = 5.9935054039 -0.123372691944 -0.0163882244961 TCL: atom 1: phi = -0.364383302673 TCL: Center of mass = 5.9947257555 -0.123701609099 -0.0164838276206 TCL: atom 1: phi = -0.364818778131 TCL: Center of mass = 5.99600013604 -0.123993797767 -0.0166117510649 TCL: atom 1: phi = -0.365441406862 TCL: Center of mass = 5.99732419695 -0.124301024378 -0.0167394978488 TCL: atom 1: phi = -0.366001942162 TCL: Center of mass = 5.99868830489 -0.124634446806 -0.016891346468 TCL: atom 1: phi = -0.366750400365 TCL: Center of mass = 6.0000931949 -0.125010633687 -0.0170392393527 TCL: atom 1: phi = -0.367451326274 TCL: Center of mass = 6.00150093499 -0.125410242573 -0.0171791797925 TCL: atom 1: phi = -0.36836015905 TCL: Center of mass = 6.00293390429 -0.125859400089 -0.017318631715 TCL: atom 1: phi = -0.369216034235 TCL: Center of mass = 6.00436903434 -0.126323394644 -0.0174713783168 TCL: atom 1: phi = -0.370254325217 TCL: Center of mass = 6.00578172334 -0.126780124692 -0.017631684444 TCL: atom 1: phi = -0.371217942988 TCL: Center of mass = 6.00716304472 -0.127215327211 -0.0178134807808 TCL: atom 1: phi = -0.372426114242 TCL: Center of mass = 6.00850136106 -0.127668009254 -0.0179873473274 TCL: atom 1: phi = -0.373613575998 TCL: Center of mass = 6.00978195508 -0.12813502438 -0.0181785763065 TCL: atom 1: phi = -0.37498108965 TCL: Center of mass = 6.0110354383 -0.128625650344 -0.0183663509892 TCL: atom 1: phi = -0.376230416441 TCL: Center of mass = 6.01222624026 -0.129142353094 -0.0185583895213 TCL: atom 1: phi = -0.377583847251 TCL: Center of mass = 6.01340621704 -0.129716821452 -0.0187699142574 TCL: atom 1: phi = -0.378764710617 TCL: Center of mass = 6.01455414464 -0.130334310156 -0.0189917961182 TCL: atom 1: phi = -0.379909411254 TCL: Center of mass = 6.01567160391 -0.131013152602 -0.0192180576278 TCL: atom 1: phi = -0.380696173729 TCL: Center of mass = 6.01674745502 -0.131709717269 -0.0194597850454 TCL: atom 1: phi = -0.381339942509 TCL: Center of mass = 6.01779292323 -0.132404085441 -0.019674541406 TCL: atom 1: phi = -0.381603020223 TCL: Center of mass = 6.01879392469 -0.133062910036 -0.0198950780444 TCL: atom 1: phi = -0.381723042423 TCL: Center of mass = 6.01978384231 -0.133678961511 -0.0200963705539 TCL: atom 1: phi = -0.381526255163 TCL: Center of mass = 6.02071872873 -0.134246317962 -0.0203043364172 TCL: atom 1: phi = -0.381225596388 TCL: Center of mass = 6.02166408211 -0.134775088045 -0.0205200401273 TCL: atom 1: phi = -0.380686071586 TCL: Center of mass = 6.02261291227 -0.135270736 -0.0207463718529 TCL: atom 1: phi = -0.380104433935 TCL: Center of mass = 6.02358369681 -0.135779888366 -0.0209583691246 TCL: atom 1: phi = -0.379290774594 TCL: Center of mass = 6.02456511709 -0.136279772557 -0.0211657984938 TCL: atom 1: phi = -0.378481184081 TCL: Center of mass = 6.0255683266 -0.13678284072 -0.0213618760487 TCL: atom 1: phi = -0.377530374207 TCL: Center of mass = 6.02659354621 -0.137259721296 -0.0215566864638 TCL: atom 1: phi = -0.376772660857 TCL: Center of mass = 6.02762766114 -0.137714201361 -0.0217036764895 TCL: atom 1: phi = -0.376048131936 TCL: Center of mass = 6.02864543757 -0.138101582046 -0.0218503101332 TCL: atom 1: phi = -0.375621005887 TCL: Center of mass = 6.02965114846 -0.138442637875 -0.021988746858 TCL: atom 1: phi = -0.375287793669 TCL: Center of mass = 6.03063142928 -0.138721365427 -0.0221184820837 TCL: atom 1: phi = -0.375269380691 TCL: Center of mass = 6.03160922307 -0.138964563683 -0.0222240986811 TCL: atom 1: phi = -0.375310344235 TCL: Center of mass = 6.03257416129 -0.139168430994 -0.0223308177453 TCL: atom 1: phi = -0.375613908132 TCL: Center of mass = 6.03354441847 -0.139369715713 -0.022418946509 TCL: atom 1: phi = -0.375929380749 TCL: Center of mass = 6.03453261712 -0.139590920866 -0.0225196203664 TCL: atom 1: phi = -0.376400194287 TCL: Center of mass = 6.03555127589 -0.139840377031 -0.0226004571218 TCL: atom 1: phi = -0.376812296552 TCL: Center of mass = 6.03657885383 -0.140099239178 -0.0226901425628 TCL: atom 1: phi = -0.377296930829 TCL: Center of mass = 6.03761039097 -0.140382110768 -0.0227849708321 TCL: atom 1: phi = -0.377711074387 TCL: Center of mass = 6.03862862042 -0.14065519619 -0.0228990840506 TCL: atom 1: phi = -0.378226901848 TCL: Center of mass = 6.03963855441 -0.140918363475 -0.0230088331867 TCL: atom 1: phi = -0.378666239065 TCL: Center of mass = 6.04062009036 -0.141146327208 -0.0231176368677 TCL: atom 1: phi = -0.379181823957 TCL: Center of mass = 6.04159456213 -0.141340956082 -0.0232130969357 TCL: atom 1: phi = -0.379622456808 TCL: Center of mass = 6.04254219492 -0.141504652656 -0.0233049363466 TCL: atom 1: phi = -0.380144657768 TCL: Center of mass = 6.04347655266 -0.141669155551 -0.0233728098521 TCL: atom 1: phi = -0.380532660048 TCL: Center of mass = 6.04437612081 -0.141842955548 -0.0234357109609 TCL: atom 1: phi = -0.380862591138 TCL: Center of mass = 6.04528500094 -0.142053196298 -0.023480935083 TCL: atom 1: phi = -0.380968152749 TCL: Center of mass = 6.04620037338 -0.142287359836 -0.0235232926215 TCL: atom 1: phi = -0.381074422828 TCL: Center of mass = 6.04712203215 -0.14252500883 -0.0235695347485 TCL: atom 1: phi = -0.380955354142 TCL: Center of mass = 6.04802391666 -0.142770241601 -0.0236181587075 TCL: atom 1: phi = -0.380820140516 TCL: Center of mass = 6.0489211946 -0.143028454736 -0.0236712256795 TCL: atom 1: phi = -0.380536110003 TCL: Center of mass = 6.04981069037 -0.143281101271 -0.0237174936399 TCL: atom 1: phi = -0.380217581953 TCL: Center of mass = 6.05071301694 -0.143540039385 -0.0237661918099 TCL: atom 1: phi = -0.379720738878 TCL: Center of mass = 6.05161091939 -0.143800650828 -0.0238265946782 TCL: atom 1: phi = -0.379139112949 TCL: Center of mass = 6.05253194062 -0.144056396062 -0.0238664587391 TCL: atom 1: phi = -0.378388349929 TCL: Center of mass = 6.05346296382 -0.144301246253 -0.0238923537101 TCL: atom 1: phi = -0.377564208733 TCL: Center of mass = 6.05441230622 -0.144525583973 -0.0239010969958 TCL: atom 1: phi = -0.376510655193 TCL: Center of mass = 6.05538881961 -0.144746955641 -0.0239249716009 TCL: atom 1: phi = -0.375402508121 TCL: Center of mass = 6.05638786921 -0.14499199627 -0.023942056477 TCL: atom 1: phi = -0.374118847765 TCL: Center of mass = 6.05738401071 -0.145231008106 -0.0239677693635 TCL: atom 1: phi = -0.372807866809 WRITING COORDINATES TO DCD FILE AT STEP 4800 WRITING COORDINATES TO RESTART FILE AT STEP 4800 FINISHED WRITING RESTART COORDINATES TIMING: 4800 CPU: 255.782, 0.0531619/step Wall: 309.437, 0.0626512/step, 0.264527 hours remaining, 13604 kB of memory in use. ENERGY: 4800 3499.3370 2465.4090 385.6691 38.9121 -44531.3569 3964.5437 0.0000 0.0000 9695.4600 -24482.0260 287.4129 -24337.1924 -24340.1799 289.2494 450.9751 -1632.6932 125000.0000 -1414.1497 -1417.7323 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800 WRITING VELOCITIES TO RESTART FILE AT STEP 4800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.05838488474 -0.145511922505 -0.0240286562157 TCL: atom 1: phi = -0.371382711176 TCL: Center of mass = 6.05938718323 -0.145805339195 -0.0241103570347 TCL: atom 1: phi = -0.370047139303 TCL: Center of mass = 6.06039857816 -0.146120888578 -0.024222357966 TCL: atom 1: phi = -0.368709091935 TCL: Center of mass = 6.06142875974 -0.146431487005 -0.0243458577617 TCL: atom 1: phi = -0.367430814455 TCL: Center of mass = 6.06247304802 -0.146761668206 -0.0244639983725 TCL: atom 1: phi = -0.366104191163 TCL: Center of mass = 6.0635339597 -0.147093473874 -0.0245641442454 TCL: atom 1: phi = -0.364874430584 TCL: Center of mass = 6.06461101002 -0.147467125097 -0.0246647425143 TCL: atom 1: phi = -0.36361890885 TCL: Center of mass = 6.06566241073 -0.147838380396 -0.024747061113 TCL: atom 1: phi = -0.362484892602 TCL: Center of mass = 6.06668884229 -0.148232953856 -0.0248291753139 TCL: atom 1: phi = -0.361359271462 TCL: Center of mass = 6.06768005295 -0.148632368509 -0.0249090104246 TCL: atom 1: phi = -0.360435676161 TCL: Center of mass = 6.06865129792 -0.14905971886 -0.024984159535 TCL: atom 1: phi = -0.359611052788 TCL: Center of mass = 6.06956762966 -0.149504674584 -0.0250789812026 TCL: atom 1: phi = -0.358988016653 TCL: Center of mass = 6.07046398527 -0.149968953613 -0.0251633556381 TCL: atom 1: phi = -0.358458378175 TCL: Center of mass = 6.07132364686 -0.150439389875 -0.0252415748801 TCL: atom 1: phi = -0.358115889076 TCL: Center of mass = 6.0721631493 -0.150945237409 -0.025298803827 TCL: atom 1: phi = -0.357823308121 TCL: Center of mass = 6.07298037564 -0.151444786825 -0.0253215092837 TCL: atom 1: phi = -0.357617473724 TCL: Center of mass = 6.07381115581 -0.151946985989 -0.0253142048912 TCL: atom 1: phi = -0.357314322526 TCL: Center of mass = 6.074627298 -0.152411527376 -0.0252694260458 TCL: atom 1: phi = -0.357030858145 TCL: Center of mass = 6.07546047527 -0.152854778328 -0.0251921138481 TCL: atom 1: phi = -0.356541200539 TCL: Center of mass = 6.07629530425 -0.153252489347 -0.0251001148854 TCL: atom 1: phi = -0.35601590777 TCL: Center of mass = 6.07712954299 -0.153623742854 -0.0249973873291 TCL: atom 1: phi = -0.355275987765 TCL: Center of mass = 6.07795838458 -0.153952827096 -0.0249139700675 TCL: atom 1: phi = -0.354494609583 TCL: Center of mass = 6.07881350995 -0.154285127235 -0.0248371142753 TCL: atom 1: phi = -0.353618544972 TCL: Center of mass = 6.07969301233 -0.154600531497 -0.0247626424435 TCL: atom 1: phi = -0.35275041765 TCL: Center of mass = 6.08060810951 -0.154918052947 -0.0246729818753 TCL: atom 1: phi = -0.351760593214 TCL: Center of mass = 6.08156515467 -0.155227616455 -0.0245833681756 TCL: atom 1: phi = -0.3507821716 TCL: Center of mass = 6.08254781167 -0.15554332996 -0.0244694723061 TCL: atom 1: phi = -0.3496660075 TCL: Center of mass = 6.08354151605 -0.155830370671 -0.0243546974965 TCL: atom 1: phi = -0.348515422607 TCL: Center of mass = 6.08455451272 -0.156098170218 -0.0242180533304 TCL: atom 1: phi = -0.34722308454 TCL: Center of mass = 6.08557769321 -0.1563280424 -0.0240802268941 TCL: atom 1: phi = -0.345952939424 TCL: Center of mass = 6.08660282906 -0.156546314198 -0.0239528581612 TCL: atom 1: phi = -0.34461480529 TCL: Center of mass = 6.08761344486 -0.156749500869 -0.023821321689 TCL: atom 1: phi = -0.343468774293 TCL: Center of mass = 6.08861315696 -0.156963017846 -0.0236886274578 TCL: atom 1: phi = -0.342505386795 TCL: Center of mass = 6.08961468798 -0.157170413768 -0.0235641287853 TCL: atom 1: phi = -0.341772847214 TCL: Center of mass = 6.09059637817 -0.157415369537 -0.0234343375928 TCL: atom 1: phi = -0.341170848178 TCL: Center of mass = 6.09155366037 -0.157683356162 -0.0233006486544 TCL: atom 1: phi = -0.340781428116 TCL: Center of mass = 6.09248071116 -0.157983886574 -0.0231556848448 TCL: atom 1: phi = -0.340460262832 TCL: Center of mass = 6.09334533695 -0.15827892639 -0.0230017891424 TCL: atom 1: phi = -0.340277622026 TCL: Center of mass = 6.0941791241 -0.158592020523 -0.0228294292508 TCL: atom 1: phi = -0.340090819304 TCL: Center of mass = 6.09498024644 -0.158884456505 -0.022654074444 TCL: atom 1: phi = -0.340014760125 TCL: Center of mass = 6.09575778023 -0.159181958873 -0.0224915816701 TCL: atom 1: phi = -0.339933642209 TCL: Center of mass = 6.09650428224 -0.159458571399 -0.0223642762837 TCL: atom 1: phi = -0.339944709675 TCL: Center of mass = 6.09721977502 -0.15974046274 -0.0222622211298 TCL: atom 1: phi = -0.339960251298 TCL: Center of mass = 6.0979361596 -0.160041220925 -0.0222074289204 TCL: atom 1: phi = -0.340074862616 TCL: Center of mass = 6.09864767259 -0.160361961966 -0.0221551760703 TCL: atom 1: phi = -0.340085714111 TCL: Center of mass = 6.09939058426 -0.160712403874 -0.0221275626442 TCL: atom 1: phi = -0.340043462569 TCL: Center of mass = 6.10014006489 -0.161092008566 -0.022116818147 TCL: atom 1: phi = -0.339746094642 TCL: Center of mass = 6.10090783321 -0.161476863595 -0.022137273413 TCL: atom 1: phi = -0.339265535456 TCL: Center of mass = 6.10169367755 -0.161860544675 -0.0221634256671 TCL: atom 1: phi = -0.338501893853 TCL: Center of mass = 6.10249543599 -0.162215371939 -0.0222124523751 TCL: atom 1: phi = -0.337551994363 TCL: Center of mass = 6.10332352081 -0.162580413242 -0.0222786240966 TCL: atom 1: phi = -0.336319719549 TCL: Center of mass = 6.104157104 -0.162964027675 -0.022386454531 TCL: atom 1: phi = -0.334939627422 TCL: Center of mass = 6.10501845791 -0.163389674723 -0.022517490422 TCL: atom 1: phi = -0.333321835529 TCL: Center of mass = 6.10592582042 -0.163833553395 -0.0226536494496 TCL: atom 1: phi = -0.331744350474 TCL: Center of mass = 6.10684988717 -0.164315184876 -0.0227955862367 TCL: atom 1: phi = -0.329957724113 TCL: Center of mass = 6.10778752784 -0.164794392326 -0.0229580821104 TCL: atom 1: phi = -0.328165879625 TCL: Center of mass = 6.10873100311 -0.16530450305 -0.0231208214798 TCL: atom 1: phi = -0.326202044894 TCL: Center of mass = 6.10968643925 -0.16579430595 -0.0232834681989 TCL: atom 1: phi = -0.324256290798 TCL: Center of mass = 6.110624506 -0.166275303162 -0.0234501624613 TCL: atom 1: phi = -0.322134073115 TCL: Center of mass = 6.11155434623 -0.166727741701 -0.0236172964748 TCL: atom 1: phi = -0.320135495069 TCL: Center of mass = 6.11244495958 -0.167160602008 -0.0237817964738 TCL: atom 1: phi = -0.318032647952 TCL: Center of mass = 6.11331156813 -0.167571222051 -0.0239680668281 TCL: atom 1: phi = -0.316086627037 TCL: Center of mass = 6.1141838682 -0.167955001552 -0.0241307896892 TCL: atom 1: phi = -0.314121793274 TCL: Center of mass = 6.11509383826 -0.168306123338 -0.0242979766107 TCL: atom 1: phi = -0.312449395918 TCL: Center of mass = 6.11604362316 -0.168656203155 -0.0244516672506 TCL: atom 1: phi = -0.310813952297 TCL: Center of mass = 6.11702269552 -0.168983469269 -0.024606904499 TCL: atom 1: phi = -0.309533418826 TCL: Center of mass = 6.11801545998 -0.169318290489 -0.0247444575764 TCL: atom 1: phi = -0.30821720299 TCL: Center of mass = 6.11903466853 -0.169619669893 -0.0248731104008 TCL: atom 1: phi = -0.307186070568 TCL: Center of mass = 6.12006709762 -0.169895150126 -0.0250052982444 TCL: atom 1: phi = -0.30615067902 TCL: Center of mass = 6.12111024166 -0.170109023953 -0.0251425158422 TCL: atom 1: phi = -0.305492633854 TCL: Center of mass = 6.12216844671 -0.170311337514 -0.025267969282 TCL: atom 1: phi = -0.304859811599 TCL: Center of mass = 6.12325271386 -0.170481914291 -0.0253975362923 TCL: atom 1: phi = -0.304600945543 TCL: Center of mass = 6.12438687583 -0.170637419313 -0.025517497324 TCL: atom 1: phi = -0.304374463471 TCL: Center of mass = 6.12557450738 -0.170784174531 -0.0256093931822 TCL: atom 1: phi = -0.30453480423 TCL: Center of mass = 6.12680921395 -0.170936515654 -0.0256799177188 TCL: atom 1: phi = -0.3047486184 TCL: Center of mass = 6.12810361535 -0.171087146719 -0.0257575694366 TCL: atom 1: phi = -0.305308895806 TCL: Center of mass = 6.12942132926 -0.171254147265 -0.0258295539936 TCL: atom 1: phi = -0.305873245122 TCL: Center of mass = 6.13075835739 -0.171422116428 -0.0258943102608 TCL: atom 1: phi = -0.306647596789 TCL: Center of mass = 6.13208234324 -0.171604542961 -0.0259629737315 TCL: atom 1: phi = -0.307349576918 TCL: Center of mass = 6.13339432983 -0.171801896054 -0.0260566734753 TCL: atom 1: phi = -0.30817306345 TCL: Center of mass = 6.13468978827 -0.172043013259 -0.0261615714265 TCL: atom 1: phi = -0.308885445518 TCL: Center of mass = 6.13597327246 -0.172302455668 -0.0262781764485 TCL: atom 1: phi = -0.309644808249 TCL: Center of mass = 6.13722858313 -0.172599813957 -0.0263951873943 TCL: atom 1: phi = -0.310275008904 TCL: Center of mass = 6.13848288745 -0.172916337082 -0.0265164407318 TCL: atom 1: phi = -0.310889836902 TCL: Center of mass = 6.13975511057 -0.173281682304 -0.0266329368352 TCL: atom 1: phi = -0.311415660303 TCL: Center of mass = 6.14102108634 -0.173647040146 -0.0267597849702 TCL: atom 1: phi = -0.311998256584 TCL: Center of mass = 6.14228250378 -0.174018176299 -0.0268498826256 TCL: atom 1: phi = -0.312404013539 TCL: Center of mass = 6.1435566176 -0.174376892924 -0.0269425601213 TCL: atom 1: phi = -0.312835575283 TCL: Center of mass = 6.14484245609 -0.17478159659 -0.0270465379431 TCL: atom 1: phi = -0.313114248528 TCL: Center of mass = 6.14614851509 -0.175172394723 -0.0271651251123 TCL: atom 1: phi = -0.313391736868 TCL: Center of mass = 6.14746573665 -0.175576769605 -0.0272811689475 TCL: atom 1: phi = -0.313528492847 TCL: Center of mass = 6.14878054348 -0.175977679436 -0.0274074537253 TCL: atom 1: phi = -0.313744723201 TCL: Center of mass = 6.15009868225 -0.176389493812 -0.0275420772793 TCL: atom 1: phi = -0.313836780443 TCL: Center of mass = 6.15147396377 -0.176788884884 -0.0276741335622 TCL: atom 1: phi = -0.313964286391 TCL: Center of mass = 6.1528428181 -0.177205935657 -0.0277892875282 TCL: atom 1: phi = -0.313985970553 TCL: Center of mass = 6.15426918695 -0.177609001594 -0.0278860716778 TCL: atom 1: phi = -0.314160439518 TCL: Center of mass = 6.15571596276 -0.178008767103 -0.0279560586823 TCL: atom 1: phi = -0.314405751393 TCL: Center of mass = 6.15719096752 -0.178375305118 -0.0279956892962 TCL: atom 1: phi = -0.314864666813 TCL: Center of mass = 6.15866742273 -0.17873041133 -0.0280109514472 TCL: atom 1: phi = -0.315407698809 TCL: Center of mass = 6.16016509344 -0.179061260512 -0.0280119879993 TCL: atom 1: phi = -0.316174426865 WRITING COORDINATES TO DCD FILE AT STEP 4900 WRITING COORDINATES TO RESTART FILE AT STEP 4900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4900 FINISHED WRITING RESTART VELOCITIES TIMING: 4900 CPU: 261.103, 0.0532119/step Wall: 315.732, 0.0629538/step, 0.264056 hours remaining, 13604 kB of memory in use. ENERGY: 4900 3401.6335 2367.5895 365.5666 34.3718 -44492.6674 3931.3260 0.0000 0.0000 9906.0899 -24486.0901 293.6568 -24344.2888 -24335.2744 288.5662 320.2464 -1643.7384 125000.0000 -1600.1347 -1603.9873 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900 TCL: Center of mass = 6.16167572792 -0.179385010968 -0.0280080063414 TCL: atom 1: phi = -0.317001348753 TCL: Center of mass = 6.1632030896 -0.179691902491 -0.0280070133894 TCL: atom 1: phi = -0.318059795283 TCL: Center of mass = 6.16472971244 -0.180030167685 -0.0279741263696 TCL: atom 1: phi = -0.319145756376 TCL: Center of mass = 6.16627146819 -0.180372326299 -0.0279448389529 TCL: atom 1: phi = -0.320394175738 TCL: Center of mass = 6.16781945746 -0.180713234056 -0.0278867284374 TCL: atom 1: phi = -0.321584254442 TCL: Center of mass = 6.16937645194 -0.181034064683 -0.027811442393 TCL: atom 1: phi = -0.322916525052 TCL: Center of mass = 6.17092947485 -0.181347057323 -0.0277090710313 TCL: atom 1: phi = -0.324233784963 TCL: Center of mass = 6.17246667143 -0.181638398647 -0.0275816407156 TCL: atom 1: phi = -0.325685796351 TCL: Center of mass = 6.17399286853 -0.181938367709 -0.0274369602953 TCL: atom 1: phi = -0.327103007543 TCL: Center of mass = 6.17550566366 -0.182222575113 -0.027276123079 TCL: atom 1: phi = -0.328580332303 TCL: Center of mass = 6.17705078847 -0.182528913182 -0.0271046920469 TCL: atom 1: phi = -0.3298988895 TCL: Center of mass = 6.17861567545 -0.182820949309 -0.0269356089766 TCL: atom 1: phi = -0.331106329876 TCL: Center of mass = 6.18017047027 -0.183135757626 -0.0267462242887 TCL: atom 1: phi = -0.332143304504 TCL: Center of mass = 6.1817191942 -0.183459980834 -0.0265469197119 TCL: atom 1: phi = -0.333114296939 TCL: Center of mass = 6.18326856482 -0.183803734219 -0.0263488461742 TCL: atom 1: phi = -0.333937811085 TCL: Center of mass = 6.18480245868 -0.184123754604 -0.0261643568969 TCL: atom 1: phi = -0.334754883219 TCL: Center of mass = 6.1863414579 -0.184441381114 -0.0259839023123 TCL: atom 1: phi = -0.335401411711 TCL: Center of mass = 6.18787916262 -0.184720833104 -0.0257899599438 TCL: atom 1: phi = -0.336074514358 TCL: Center of mass = 6.18941289388 -0.185001964245 -0.0255841027691 TCL: atom 1: phi = -0.336592191597 TCL: Center of mass = 6.19095165799 -0.185257440629 -0.0253818280876 TCL: atom 1: phi = -0.337154400084 TCL: Center of mass = 6.19251347067 -0.185531794877 -0.0251523024712 TCL: atom 1: phi = -0.33755718008 TCL: Center of mass = 6.19407399621 -0.185809861222 -0.0249284640944 TCL: atom 1: phi = -0.337855036043 TCL: Center of mass = 6.19565235978 -0.186116420902 -0.0246942728165 TCL: atom 1: phi = -0.337940401893 TCL: Center of mass = 6.19720928292 -0.186412170149 -0.0244820266018 TCL: atom 1: phi = -0.337816947219 TCL: Center of mass = 6.19876664076 -0.186727311187 -0.0242641846073 TCL: atom 1: phi = -0.337388535877 TCL: Center of mass = 6.20030626202 -0.187051208616 -0.0240490776187 TCL: atom 1: phi = -0.336808624455 TCL: Center of mass = 6.20183056791 -0.187377153027 -0.0238131031635 TCL: atom 1: phi = -0.335993476596 TCL: Center of mass = 6.20333316713 -0.187679257641 -0.0235838142513 TCL: atom 1: phi = -0.335065102375 TCL: Center of mass = 6.20481931964 -0.187988599884 -0.0233683182651 TCL: atom 1: phi = -0.333983351213 TCL: Center of mass = 6.20629204721 -0.188292338778 -0.0231909204891 TCL: atom 1: phi = -0.332948684458 TCL: Center of mass = 6.20777540763 -0.188633143178 -0.0230156949603 TCL: atom 1: phi = -0.331783308185 TCL: Center of mass = 6.20927479834 -0.188956178961 -0.0228700373667 TCL: atom 1: phi = -0.330606480472 TCL: Center of mass = 6.21080132822 -0.189317774354 -0.0227612280692 TCL: atom 1: phi = -0.329284552569 TCL: Center of mass = 6.21233905613 -0.189683636043 -0.0226874824852 TCL: atom 1: phi = -0.327909635258 TCL: Center of mass = 6.21389535798 -0.190080636105 -0.0226379076525 TCL: atom 1: phi = -0.326334046853 TCL: Center of mass = 6.21545327413 -0.190441540959 -0.0226132276815 TCL: atom 1: phi = -0.324773197351 TCL: Center of mass = 6.21701239265 -0.190798407572 -0.0225790298034 TCL: atom 1: phi = -0.323199302053 TCL: Center of mass = 6.21855449557 -0.191115079731 -0.0225599169028 TCL: atom 1: phi = -0.321774785934 TCL: Center of mass = 6.22007185227 -0.191398128584 -0.0225240717261 TCL: atom 1: phi = -0.320339065009 TCL: Center of mass = 6.22156482463 -0.191652457348 -0.0225081791016 TCL: atom 1: phi = -0.319052083712 TCL: Center of mass = 6.22306346762 -0.191880268962 -0.0225213877965 TCL: atom 1: phi = -0.317741118008 TCL: Center of mass = 6.22456624208 -0.192086594193 -0.0225520408354 TCL: atom 1: phi = -0.316531959702 TCL: Center of mass = 6.22608099362 -0.192305639555 -0.022584865178 TCL: atom 1: phi = -0.315297010385 TCL: Center of mass = 6.22760108697 -0.192502564506 -0.0226066462615 TCL: atom 1: phi = -0.314095267367 TCL: Center of mass = 6.22914395152 -0.192711820557 -0.0226272413817 TCL: atom 1: phi = -0.312800204618 TCL: Center of mass = 6.23069278622 -0.19289234149 -0.0226552771762 TCL: atom 1: phi = -0.311557512527 TCL: Center of mass = 6.23222700379 -0.193085488554 -0.0226774421102 TCL: atom 1: phi = -0.310250477275 TCL: Center of mass = 6.23371880702 -0.193240423124 -0.0226983159438 TCL: atom 1: phi = -0.30905290127 TCL: Center of mass = 6.23517996072 -0.193391234095 -0.022700585418 TCL: atom 1: phi = -0.307804733584 TCL: Center of mass = 6.2365865985 -0.193514705116 -0.0226947549841 TCL: atom 1: phi = -0.306603628322 TCL: Center of mass = 6.23796834868 -0.19364449606 -0.0226811146574 TCL: atom 1: phi = -0.305281867092 TCL: Center of mass = 6.23935848355 -0.1937962137 -0.0226814476557 TCL: atom 1: phi = -0.30402899037 TCL: Center of mass = 6.24074449962 -0.19399924792 -0.0226931757903 TCL: atom 1: phi = -0.302610656427 TCL: Center of mass = 6.24215754728 -0.194234539098 -0.0227001269259 TCL: atom 1: phi = -0.3012527651 TCL: Center of mass = 6.24362152355 -0.194500023475 -0.0227060288551 TCL: atom 1: phi = -0.299787142754 TCL: Center of mass = 6.24512208547 -0.19475069076 -0.0226883964241 TCL: atom 1: phi = -0.29843826367 TCL: Center of mass = 6.24664652262 -0.195009120503 -0.0226498034081 TCL: atom 1: phi = -0.297036421091 TCL: Center of mass = 6.24819299453 -0.19526751062 -0.0226185055139 TCL: atom 1: phi = -0.295838215981 TCL: Center of mass = 6.24975313333 -0.195531733807 -0.022571527428 TCL: atom 1: phi = -0.294785705188 TCL: Center of mass = 6.25132199627 -0.195761640337 -0.0225216517755 TCL: atom 1: phi = -0.294082379063 TCL: Center of mass = 6.25290110274 -0.195985994493 -0.0224733070686 TCL: atom 1: phi = -0.293530364605 TCL: Center of mass = 6.25448269098 -0.196173879452 -0.0224170297398 TCL: atom 1: phi = -0.293291248038 TCL: Center of mass = 6.25610214767 -0.196357000428 -0.0223364499211 TCL: atom 1: phi = -0.293104302756 TCL: Center of mass = 6.25773139891 -0.196517845065 -0.0222579255667 TCL: atom 1: phi = -0.293045249153 TCL: Center of mass = 6.25940896887 -0.196673795317 -0.0221560380571 TCL: atom 1: phi = -0.292994551023 TCL: Center of mass = 6.26111571952 -0.196798019733 -0.0220479080843 TCL: atom 1: phi = -0.29306080938 TCL: Center of mass = 6.26282468221 -0.196921118596 -0.0219290146518 TCL: atom 1: phi = -0.293094560004 TCL: Center of mass = 6.26451442675 -0.197004274945 -0.0218205381066 TCL: atom 1: phi = -0.293308469781 TCL: Center of mass = 6.26620315597 -0.197074291992 -0.0216961429888 TCL: atom 1: phi = -0.293488320102 TCL: Center of mass = 6.26786765802 -0.197123416774 -0.0215691301442 TCL: atom 1: phi = -0.293869271678 TCL: Center of mass = 6.26951430339 -0.197156558587 -0.0214413352014 TCL: atom 1: phi = -0.294183128761 TCL: Center of mass = 6.27114476728 -0.197149490818 -0.0213171796574 TCL: atom 1: phi = -0.294569905285 TCL: Center of mass = 6.27276517344 -0.197147303333 -0.0211685276864 TCL: atom 1: phi = -0.294788626321 TCL: Center of mass = 6.27438359022 -0.197108984842 -0.0210268820754 TCL: atom 1: phi = -0.295038107409 TCL: Center of mass = 6.2759868571 -0.197068759884 -0.020896847147 TCL: atom 1: phi = -0.295116064113 TCL: Center of mass = 6.27759075582 -0.197018902001 -0.0207993970768 TCL: atom 1: phi = -0.295308468972 TCL: Center of mass = 6.27919404383 -0.196970574063 -0.0207138435504 TCL: atom 1: phi = -0.295311860359 TCL: Center of mass = 6.28079414899 -0.196917015792 -0.020659961408 TCL: atom 1: phi = -0.295468902144 TCL: Center of mass = 6.28237229812 -0.196887322725 -0.0206465133538 TCL: atom 1: phi = -0.295533887469 TCL: Center of mass = 6.28395616219 -0.196840026527 -0.0207171267876 TCL: atom 1: phi = -0.295843485437 TCL: Center of mass = 6.28554436789 -0.196799946828 -0.020811919977 TCL: atom 1: phi = -0.296022727585 TCL: Center of mass = 6.28716669047 -0.196755824809 -0.0209611753874 TCL: atom 1: phi = -0.296433386771 TCL: Center of mass = 6.2888230805 -0.196705148695 -0.0211388301484 TCL: atom 1: phi = -0.296656544908 TCL: Center of mass = 6.29050772082 -0.196636811265 -0.0213506310287 TCL: atom 1: phi = -0.297009308588 TCL: Center of mass = 6.29222045055 -0.196561346829 -0.0215754264499 TCL: atom 1: phi = -0.297151730358 TCL: Center of mass = 6.29392326084 -0.196449083433 -0.0218084853544 TCL: atom 1: phi = -0.297471283342 TCL: Center of mass = 6.29561930623 -0.196351190603 -0.0220348003207 TCL: atom 1: phi = -0.297678513531 TCL: Center of mass = 6.29730603066 -0.196222768535 -0.0222603739877 TCL: atom 1: phi = -0.298165875482 TCL: Center of mass = 6.29901528843 -0.196112128163 -0.0224890978429 TCL: atom 1: phi = -0.298591641035 TCL: Center of mass = 6.30070828117 -0.196009515522 -0.0227254301779 TCL: atom 1: phi = -0.299381526253 TCL: Center of mass = 6.30239310929 -0.195955904222 -0.0229456498959 TCL: atom 1: phi = -0.300167055023 TCL: Center of mass = 6.30407693339 -0.195909674067 -0.0231570377628 TCL: atom 1: phi = -0.301234755338 TCL: Center of mass = 6.30577064985 -0.195881329684 -0.0233363437413 TCL: atom 1: phi = -0.302172915572 TCL: Center of mass = 6.30746575412 -0.195842131365 -0.0234854264213 TCL: atom 1: phi = -0.303238054925 TCL: Center of mass = 6.30916367185 -0.195825560946 -0.0235997090678 TCL: atom 1: phi = -0.304038034724 TCL: Center of mass = 6.31083881626 -0.195795972514 -0.0236772829878 TCL: atom 1: phi = -0.30490872522 TCL: Center of mass = 6.31247018104 -0.195774317715 -0.0237024515321 TCL: atom 1: phi = -0.305549111616 TCL: Center of mass = 6.31407780742 -0.195740737346 -0.0237262031536 TCL: atom 1: phi = -0.306360365182 TCL: Center of mass = 6.3156482456 -0.195724423854 -0.0237323731294 TCL: atom 1: phi = -0.307010106088 TCL: Center of mass = 6.31718110303 -0.195703313129 -0.0237563352819 TCL: atom 1: phi = -0.30791791845 WRITING COORDINATES TO DCD FILE AT STEP 5000 WRITING COORDINATES TO RESTART FILE AT STEP 5000 FINISHED WRITING RESTART COORDINATES TIMING: 5000 CPU: 266.417, 0.0531419/step Wall: 322.033, 0.0630044/step, 0.262518 hours remaining, 13604 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 5000 3411.8380 2447.4304 363.4684 38.9088 -44414.7081 3927.9164 0.0000 0.0000 9756.2751 -24468.8709 289.2157 -24324.4786 -24326.3519 289.2780 396.6680 -1545.1252 125000.0000 -1634.6464 -1631.7499 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000 WRITING VELOCITIES TO RESTART FILE AT STEP 5000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.31874524421 -0.19573253702 -0.0237834190416 TCL: atom 1: phi = -0.308777146997 TCL: Center of mass = 6.32033092662 -0.195757155624 -0.0238370957472 TCL: atom 1: phi = -0.309760078404 TCL: Center of mass = 6.32195333725 -0.195808068511 -0.0239131170175 TCL: atom 1: phi = -0.31049800339 TCL: Center of mass = 6.32358407983 -0.195824661175 -0.0239836174333 TCL: atom 1: phi = -0.311253419408 TCL: Center of mass = 6.32522385177 -0.195842895773 -0.0240462024629 TCL: atom 1: phi = -0.311703406017 TCL: Center of mass = 6.32685300067 -0.195788621184 -0.0240969378606 TCL: atom 1: phi = -0.312123894505 TCL: Center of mass = 6.32847164644 -0.195718719191 -0.0241332108323 TCL: atom 1: phi = -0.312317581917 TCL: Center of mass = 6.33004838914 -0.195592387205 -0.0241742914154 TCL: atom 1: phi = -0.312597152995 TCL: Center of mass = 6.33160549877 -0.195468115549 -0.024210030978 TCL: atom 1: phi = -0.31268673295 TCL: Center of mass = 6.33314831884 -0.195315862147 -0.0242507248513 TCL: atom 1: phi = -0.312944885787 TCL: Center of mass = 6.33473698334 -0.195198112026 -0.0242950890393 TCL: atom 1: phi = -0.313039038695 TCL: Center of mass = 6.33635964645 -0.195068356861 -0.0243135726818 TCL: atom 1: phi = -0.313234252003 TCL: Center of mass = 6.33801661857 -0.194943445311 -0.0243074494593 TCL: atom 1: phi = -0.313089235251 TCL: Center of mass = 6.33968061834 -0.19481112463 -0.024276417066 TCL: atom 1: phi = -0.312817332176 TCL: Center of mass = 6.34137373933 -0.194709916906 -0.0242104787797 TCL: atom 1: phi = -0.312088649059 TCL: Center of mass = 6.34305693599 -0.194587185684 -0.0241093287891 TCL: atom 1: phi = -0.31121703487 TCL: Center of mass = 6.34472837754 -0.194476432748 -0.023970544167 TCL: atom 1: phi = -0.310018564173 TCL: Center of mass = 6.34635167147 -0.194318637265 -0.0238116088538 TCL: atom 1: phi = -0.30888265289 TCL: Center of mass = 6.34794735634 -0.194158131509 -0.0236330750628 TCL: atom 1: phi = -0.307675943243 TCL: Center of mass = 6.34949274949 -0.193977353424 -0.0234242908558 TCL: atom 1: phi = -0.306790368086 TCL: Center of mass = 6.35102940853 -0.193804328096 -0.0232006744661 TCL: atom 1: phi = -0.305957577696 TCL: Center of mass = 6.3525349695 -0.193641966034 -0.0229731998493 TCL: atom 1: phi = -0.305490057623 TCL: Center of mass = 6.35404357918 -0.193534539908 -0.022738504138 TCL: atom 1: phi = -0.304948694558 TCL: Center of mass = 6.35554559486 -0.193427898995 -0.0225182867779 TCL: atom 1: phi = -0.304672418741 TCL: Center of mass = 6.35704419018 -0.193338745822 -0.0223028345335 TCL: atom 1: phi = -0.304226365224 TCL: Center of mass = 6.35851131342 -0.193219623503 -0.0220915946643 TCL: atom 1: phi = -0.303980965251 TCL: Center of mass = 6.35996026039 -0.19311810426 -0.0218617085768 TCL: atom 1: phi = -0.303669712628 TCL: Center of mass = 6.36136473524 -0.193016910246 -0.0215930458586 TCL: atom 1: phi = -0.303668186301 TCL: Center of mass = 6.36274693672 -0.192951685611 -0.0213177976438 TCL: atom 1: phi = -0.30379563566 TCL: Center of mass = 6.36408582495 -0.192884064553 -0.0210395618442 TCL: atom 1: phi = -0.304387498275 TCL: Center of mass = 6.36538358187 -0.192860657021 -0.0207586720844 TCL: atom 1: phi = -0.305101925641 TCL: Center of mass = 6.36666369778 -0.192868005566 -0.0204776435865 TCL: atom 1: phi = -0.306057078341 TCL: Center of mass = 6.36793651709 -0.192927693666 -0.0202124300804 TCL: atom 1: phi = -0.306873823547 TCL: Center of mass = 6.36919595704 -0.193008381099 -0.0199557851655 TCL: atom 1: phi = -0.307750314948 TCL: Center of mass = 6.37047511163 -0.193140930955 -0.0196920661018 TCL: atom 1: phi = -0.30834663668 TCL: Center of mass = 6.37174127635 -0.193299474851 -0.0194257488533 TCL: atom 1: phi = -0.308967036533 TCL: Center of mass = 6.3730125612 -0.193522811768 -0.0191398288212 TCL: atom 1: phi = -0.309324884569 TCL: Center of mass = 6.37428253122 -0.193766338742 -0.0188484093135 TCL: atom 1: phi = -0.309796525822 TCL: Center of mass = 6.37554831542 -0.194053660021 -0.0185302951114 TCL: atom 1: phi = -0.310055329579 TCL: Center of mass = 6.37680145652 -0.194347887409 -0.018217941528 TCL: atom 1: phi = -0.31042642948 TCL: Center of mass = 6.37804504926 -0.194668670625 -0.017882888813 TCL: atom 1: phi = -0.310639152201 TCL: Center of mass = 6.37927639636 -0.194949157174 -0.0175571701425 TCL: atom 1: phi = -0.31095578997 TCL: Center of mass = 6.38052164845 -0.195210993187 -0.0172267893881 TCL: atom 1: phi = -0.310992723458 TCL: Center of mass = 6.3817886154 -0.195413810063 -0.0169072219728 TCL: atom 1: phi = -0.310995717371 TCL: Center of mass = 6.3830690151 -0.195611685756 -0.0165948001349 TCL: atom 1: phi = -0.310628997829 TCL: Center of mass = 6.38436140582 -0.195780402151 -0.0162892636759 TCL: atom 1: phi = -0.310232251781 TCL: Center of mass = 6.38567129183 -0.195947613928 -0.0159879400768 TCL: atom 1: phi = -0.309590587467 TCL: Center of mass = 6.38698576542 -0.196087166441 -0.0156977865247 TCL: atom 1: phi = -0.309043962029 TCL: Center of mass = 6.38831313309 -0.196259460256 -0.0154273223189 TCL: atom 1: phi = -0.308414281289 TCL: Center of mass = 6.38964016651 -0.196417000985 -0.0151877527713 TCL: atom 1: phi = -0.308090532075 TCL: Center of mass = 6.39099189521 -0.196589275758 -0.0149539546758 TCL: atom 1: phi = -0.307704595606 TCL: Center of mass = 6.39233531955 -0.196751512285 -0.0147286368085 TCL: atom 1: phi = -0.307565844256 TCL: Center of mass = 6.39368481651 -0.19693039702 -0.0145239856067 TCL: atom 1: phi = -0.307218769726 TCL: Center of mass = 6.39505829475 -0.1970877375 -0.014339998921 TCL: atom 1: phi = -0.307013912431 TCL: Center of mass = 6.39642517405 -0.197270027958 -0.0141651895846 TCL: atom 1: phi = -0.306478798537 TCL: Center of mass = 6.39777902566 -0.197483953679 -0.0140123147913 TCL: atom 1: phi = -0.305957633737 TCL: Center of mass = 6.39913955061 -0.197733631685 -0.0138827814336 TCL: atom 1: phi = -0.305178840183 TCL: Center of mass = 6.40048754342 -0.198039791897 -0.0137699785987 TCL: atom 1: phi = -0.304562524087 TCL: Center of mass = 6.40184076525 -0.198413725642 -0.0136955045188 TCL: atom 1: phi = -0.303825884422 TCL: Center of mass = 6.40320752799 -0.198830748842 -0.0136524095234 TCL: atom 1: phi = -0.30337424086 TCL: Center of mass = 6.40460154654 -0.199303552933 -0.0136047448594 TCL: atom 1: phi = -0.302843744945 TCL: Center of mass = 6.40602217784 -0.199798778765 -0.0135735623691 TCL: atom 1: phi = -0.302602840805 TCL: Center of mass = 6.40745389432 -0.200327168201 -0.0135330490476 TCL: atom 1: phi = -0.302265831724 TCL: Center of mass = 6.40889564571 -0.200837482146 -0.0134755667269 TCL: atom 1: phi = -0.302054107907 TCL: Center of mass = 6.41034131568 -0.201352877265 -0.0134153977575 TCL: atom 1: phi = -0.301651990913 TCL: Center of mass = 6.41178529148 -0.201856430254 -0.0133289733174 TCL: atom 1: phi = -0.301411424722 TCL: Center of mass = 6.41321726513 -0.202360878231 -0.0132381020006 TCL: atom 1: phi = -0.301010657215 TCL: Center of mass = 6.4146587961 -0.20283637771 -0.0131349565422 TCL: atom 1: phi = -0.300941012707 TCL: Center of mass = 6.41609441889 -0.203328710545 -0.0130236258629 TCL: atom 1: phi = -0.30094115448 TCL: Center of mass = 6.41754296481 -0.203819820103 -0.0128948467008 TCL: atom 1: phi = -0.301304312194 TCL: Center of mass = 6.41900652595 -0.20433004466 -0.0127213625794 TCL: atom 1: phi = -0.301723887602 TCL: Center of mass = 6.42047140451 -0.204817582437 -0.0125314714359 TCL: atom 1: phi = -0.302384227255 TCL: Center of mass = 6.42194979601 -0.205319842018 -0.0123175532843 TCL: atom 1: phi = -0.302877233097 TCL: Center of mass = 6.42342828927 -0.205787930287 -0.0120774690785 TCL: atom 1: phi = -0.303513797068 TCL: Center of mass = 6.42490077081 -0.206251726961 -0.0118167827287 TCL: atom 1: phi = -0.303872976243 TCL: Center of mass = 6.42634596963 -0.206679540814 -0.0115496137349 TCL: atom 1: phi = -0.304285708202 TCL: Center of mass = 6.42777429944 -0.207131464362 -0.0113065503806 TCL: atom 1: phi = -0.304394994942 TCL: Center of mass = 6.4291999155 -0.207594561485 -0.0110869817793 TCL: atom 1: phi = -0.304604884689 TCL: Center of mass = 6.43062285662 -0.208110737136 -0.0108649630251 TCL: atom 1: phi = -0.304696396895 TCL: Center of mass = 6.43203532967 -0.208671153033 -0.0106933715335 TCL: atom 1: phi = -0.305033398033 TCL: Center of mass = 6.43345301226 -0.209307031154 -0.0105237043034 TCL: atom 1: phi = -0.305287619275 TCL: Center of mass = 6.43488667247 -0.209983585368 -0.0104078878436 TCL: atom 1: phi = -0.305728257243 TCL: Center of mass = 6.4363304195 -0.21071120804 -0.0103122445052 TCL: atom 1: phi = -0.306078288332 TCL: Center of mass = 6.43778151023 -0.211448585584 -0.0102772909727 TCL: atom 1: phi = -0.306523472586 TCL: Center of mass = 6.43924394776 -0.212185793866 -0.010249693523 TCL: atom 1: phi = -0.306806173717 TCL: Center of mass = 6.44068699367 -0.212891274463 -0.0102516264305 TCL: atom 1: phi = -0.307171849752 TCL: Center of mass = 6.44210603585 -0.213593631509 -0.0102625424299 TCL: atom 1: phi = -0.307458818962 TCL: Center of mass = 6.44351882953 -0.214290936534 -0.0102914356625 TCL: atom 1: phi = -0.307971365205 TCL: Center of mass = 6.44493704037 -0.215016970251 -0.0103201249932 TCL: atom 1: phi = -0.308469547101 TCL: Center of mass = 6.44637884525 -0.215730730349 -0.0103757472787 TCL: atom 1: phi = -0.309270762736 TCL: Center of mass = 6.44782055265 -0.216495309012 -0.0104446257265 TCL: atom 1: phi = -0.310154655213 TCL: Center of mass = 6.44927347329 -0.217253559917 -0.0105273880605 TCL: atom 1: phi = -0.311256407498 TCL: Center of mass = 6.45075044574 -0.218033845872 -0.0106167496281 TCL: atom 1: phi = -0.312207148016 TCL: Center of mass = 6.45222992528 -0.218789422845 -0.0107055108236 TCL: atom 1: phi = -0.31318670441 TCL: Center of mass = 6.45369884418 -0.219530212985 -0.0107792621064 TCL: atom 1: phi = -0.313853136207 TCL: Center of mass = 6.45516615249 -0.220207165659 -0.0108479551348 TCL: atom 1: phi = -0.314322411836 TCL: Center of mass = 6.45659781727 -0.220880232006 -0.0109205384314 TCL: atom 1: phi = -0.314382829636 TCL: Center of mass = 6.45798881349 -0.221494358976 -0.0110050329963 TCL: atom 1: phi = -0.314337884284 TCL: Center of mass = 6.45935280735 -0.222115577181 -0.0110866524639 TCL: atom 1: phi = -0.314002091309 TCL: Center of mass = 6.46070105922 -0.22272150371 -0.0111853071875 TCL: atom 1: phi = -0.313647058979 TIMING: 5100 CPU: 271.742, 0.0532419/step Wall: 328.298, 0.0626545/step, 0.25932 hours remaining, 13604 kB of memory in use. ENERGY: 5100 3417.8459 2443.1077 382.3459 38.8504 -44415.5547 3988.8005 0.0000 0.0000 9717.5674 -24427.0369 288.0682 -24283.4828 -24282.9087 288.7138 313.0900 -1565.2143 125000.0000 -1664.4865 -1663.5184 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5100 WRITING COORDINATES TO DCD FILE AT STEP 5100 WRITING COORDINATES TO RESTART FILE AT STEP 5100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.4620346817 -0.223375497798 -0.0112992339407 TCL: atom 1: phi = -0.31308182763 TCL: Center of mass = 6.46336437178 -0.224018962334 -0.0114167244811 TCL: atom 1: phi = -0.312536382522 TCL: Center of mass = 6.46468810934 -0.224706142034 -0.0115427244175 TCL: atom 1: phi = -0.31178254284 TCL: Center of mass = 6.46600718308 -0.22538687871 -0.0116823122342 TCL: atom 1: phi = -0.311053452248 TCL: Center of mass = 6.46733336685 -0.226088587176 -0.0118132035847 TCL: atom 1: phi = -0.310154651735 TCL: Center of mass = 6.4686284861 -0.226752434511 -0.0119611636725 TCL: atom 1: phi = -0.309289198162 TCL: Center of mass = 6.46991487953 -0.227421035393 -0.0120913186125 TCL: atom 1: phi = -0.308249611307 TCL: Center of mass = 6.47119434116 -0.228027499915 -0.0121978193063 TCL: atom 1: phi = -0.307358157084 TCL: Center of mass = 6.47247172489 -0.228635076782 -0.0122599174243 TCL: atom 1: phi = -0.306500914238 TCL: Center of mass = 6.4737268063 -0.229208399746 -0.0123070573886 TCL: atom 1: phi = -0.305976398214 TCL: Center of mass = 6.47500765309 -0.229813085409 -0.0123108799531 TCL: atom 1: phi = -0.305586536487 TCL: Center of mass = 6.47630173433 -0.230392948937 -0.0123016609636 TCL: atom 1: phi = -0.305575982389 TCL: Center of mass = 6.47761808911 -0.231004202428 -0.0122810493998 TCL: atom 1: phi = -0.305634168533 TCL: Center of mass = 6.47894261175 -0.231599391418 -0.0122505280238 TCL: atom 1: phi = -0.305890281629 TCL: Center of mass = 6.48029583757 -0.232201743733 -0.0121883735835 TCL: atom 1: phi = -0.306050956812 TCL: Center of mass = 6.48164943167 -0.232782992641 -0.0120977226312 TCL: atom 1: phi = -0.306281082407 TCL: Center of mass = 6.48303111707 -0.23336302353 -0.0119918554577 TCL: atom 1: phi = -0.306309240355 TCL: Center of mass = 6.4844074033 -0.233905159406 -0.0118720650053 TCL: atom 1: phi = -0.306296399681 TCL: Center of mass = 6.48580338261 -0.234453033678 -0.0117352411435 TCL: atom 1: phi = -0.306066042849 TCL: Center of mass = 6.48718295775 -0.23496143818 -0.0115936430339 TCL: atom 1: phi = -0.305897188967 TCL: Center of mass = 6.48855346497 -0.235498333541 -0.0114463707531 TCL: atom 1: phi = -0.30557646849 TCL: Center of mass = 6.48992769498 -0.236024390915 -0.0113033398136 TCL: atom 1: phi = -0.305315368162 TCL: Center of mass = 6.49129773302 -0.236565349929 -0.0111478088335 TCL: atom 1: phi = -0.304916553739 TCL: Center of mass = 6.49262549758 -0.237089771613 -0.0109978366712 TCL: atom 1: phi = -0.304514567343 TCL: Center of mass = 6.49395497358 -0.237651460542 -0.0108321675546 TCL: atom 1: phi = -0.303823056638 TCL: Center of mass = 6.49526270258 -0.238179325687 -0.0106702775362 TCL: atom 1: phi = -0.30312253799 TCL: Center of mass = 6.4965730215 -0.238730718643 -0.0104987101437 TCL: atom 1: phi = -0.302104038769 TCL: Center of mass = 6.49785323034 -0.239249231522 -0.0103034189764 TCL: atom 1: phi = -0.301046759505 TCL: Center of mass = 6.49914302856 -0.239757824952 -0.0100811867345 TCL: atom 1: phi = -0.299769288058 TCL: Center of mass = 6.50040615074 -0.240213881825 -0.00985711268812 TCL: atom 1: phi = -0.298504691932 TCL: Center of mass = 6.50167687054 -0.240640717922 -0.00959298580761 TCL: atom 1: phi = -0.297104460414 TCL: Center of mass = 6.50292906641 -0.241009590839 -0.00930509725588 TCL: atom 1: phi = -0.295847500912 TCL: Center of mass = 6.50417886514 -0.241388426281 -0.00898701587276 TCL: atom 1: phi = -0.294415239439 TCL: Center of mass = 6.5054026005 -0.241716671293 -0.00863516788573 TCL: atom 1: phi = -0.293074016964 TCL: Center of mass = 6.50663327947 -0.242059453095 -0.00825385251195 TCL: atom 1: phi = -0.291565873859 TCL: Center of mass = 6.50784338012 -0.242362907272 -0.00784781583613 TCL: atom 1: phi = -0.290077334212 TCL: Center of mass = 6.50906739469 -0.242677350527 -0.00740828100832 TCL: atom 1: phi = -0.288344312531 TCL: Center of mass = 6.51032420706 -0.242989347863 -0.00697338498694 TCL: atom 1: phi = -0.286718380453 TCL: Center of mass = 6.51162184393 -0.243322279229 -0.00653876389983 TCL: atom 1: phi = -0.284944517246 TCL: Center of mass = 6.51291951589 -0.243634800928 -0.00608309999806 TCL: atom 1: phi = -0.283339518078 TCL: Center of mass = 6.51425204644 -0.243955237444 -0.00562389049652 TCL: atom 1: phi = -0.281685897413 TCL: Center of mass = 6.51558626716 -0.244252205134 -0.00517221506156 TCL: atom 1: phi = -0.280268204108 TCL: Center of mass = 6.51690145579 -0.244547653815 -0.00472304431237 TCL: atom 1: phi = -0.2788233695 TCL: Center of mass = 6.51819973415 -0.244835430616 -0.00428281810042 TCL: atom 1: phi = -0.27768739399 TCL: Center of mass = 6.51950264576 -0.245151128332 -0.00383248195707 TCL: atom 1: phi = -0.276509865574 TCL: Center of mass = 6.5208162299 -0.245478816002 -0.0033920292901 TCL: atom 1: phi = -0.275564358871 TCL: Center of mass = 6.52214006571 -0.245862012233 -0.00293884852266 TCL: atom 1: phi = -0.2746779668 TCL: Center of mass = 6.52346623659 -0.246277870043 -0.00246629691408 TCL: atom 1: phi = -0.274123405308 TCL: Center of mass = 6.52482203016 -0.24673749296 -0.00198765124251 TCL: atom 1: phi = -0.273639930887 TCL: Center of mass = 6.52618864511 -0.247214890194 -0.00149830807563 TCL: atom 1: phi = -0.273580534713 TCL: Center of mass = 6.52757918826 -0.247730363791 -0.00101042862372 TCL: atom 1: phi = -0.273730719178 TCL: Center of mass = 6.52896507398 -0.248226498559 -0.000505516123601 TCL: atom 1: phi = -0.274276891781 TCL: Center of mass = 6.53035011986 -0.248697011253 -2.09420320793e-06 TCL: atom 1: phi = -0.274942530366 TCL: Center of mass = 6.5317062905 -0.249093384236 0.000530437731304 TCL: atom 1: phi = -0.275971414928 TCL: Center of mass = 6.53304558736 -0.249437595944 0.00108828349821 TCL: atom 1: phi = -0.277026917277 TCL: Center of mass = 6.53437264011 -0.249743849277 0.00165625448344 TCL: atom 1: phi = -0.278251562833 TCL: Center of mass = 6.53569534095 -0.250040035931 0.00224568099086 TCL: atom 1: phi = -0.279357792088 TCL: Center of mass = 6.53701660003 -0.250312140852 0.00284902635993 TCL: atom 1: phi = -0.280541887533 TCL: Center of mass = 6.53837487621 -0.25061285166 0.00346709244811 TCL: atom 1: phi = -0.281553462221 TCL: Center of mass = 6.53974191852 -0.250892052194 0.00409251062009 TCL: atom 1: phi = -0.282573127261 TCL: Center of mass = 6.54112584627 -0.251168605492 0.00473051039012 TCL: atom 1: phi = -0.283451079281 TCL: Center of mass = 6.54250331445 -0.251392235942 0.00538399780485 TCL: atom 1: phi = -0.284311501546 TCL: Center of mass = 6.54386900523 -0.251596711337 0.00602680669265 TCL: atom 1: phi = -0.284913264405 TCL: Center of mass = 6.54520211441 -0.251723192529 0.00667772084526 TCL: atom 1: phi = -0.285413600516 TCL: Center of mass = 6.54651700685 -0.251808426516 0.00733333896945 TCL: atom 1: phi = -0.285620349621 TCL: Center of mass = 6.54778344047 -0.251827638872 0.00800290945205 TCL: atom 1: phi = -0.285720253006 TCL: Center of mass = 6.54904945049 -0.251838495 0.00867920017393 TCL: atom 1: phi = -0.285499669018 TCL: Center of mass = 6.5503096538 -0.25183953155 0.00934819375806 TCL: atom 1: phi = -0.285139253376 TCL: Center of mass = 6.55156175039 -0.251893770937 0.0100252041644 TCL: atom 1: phi = -0.284534804637 TCL: Center of mass = 6.55280864917 -0.252002529612 0.0106967096854 TCL: atom 1: phi = -0.283896640251 TCL: Center of mass = 6.55407376917 -0.252170451561 0.0113943974351 TCL: atom 1: phi = -0.2831338789 TCL: Center of mass = 6.5553246917 -0.252376545521 0.0120912743341 TCL: atom 1: phi = -0.282419851556 TCL: Center of mass = 6.55658869632 -0.25258215571 0.0128033443769 TCL: atom 1: phi = -0.281578231717 TCL: Center of mass = 6.55781328861 -0.252763421296 0.013504039525 TCL: atom 1: phi = -0.280766872319 TCL: Center of mass = 6.55903053945 -0.252934005264 0.0141892871408 TCL: atom 1: phi = -0.279823485884 TCL: Center of mass = 6.56022316669 -0.253072772301 0.0148727538379 TCL: atom 1: phi = -0.27887824496 TCL: Center of mass = 6.56139697742 -0.253210226166 0.0155530268458 TCL: atom 1: phi = -0.277771494725 TCL: Center of mass = 6.56256789099 -0.253344433738 0.0162008972772 TCL: atom 1: phi = -0.276752490778 TCL: Center of mass = 6.56375868856 -0.253537964665 0.0168222552493 TCL: atom 1: phi = -0.275647177886 TCL: Center of mass = 6.56497329342 -0.253775936792 0.0174319360405 TCL: atom 1: phi = -0.274684110123 TCL: Center of mass = 6.56618804942 -0.254095076756 0.0180220590069 TCL: atom 1: phi = -0.273719309302 TCL: Center of mass = 6.56739477556 -0.254453329849 0.0185695589128 TCL: atom 1: phi = -0.272919820416 TCL: Center of mass = 6.56860920628 -0.254823600311 0.0191028367665 TCL: atom 1: phi = -0.272123979605 TCL: Center of mass = 6.56983277695 -0.255201715034 0.0196272722852 TCL: atom 1: phi = -0.271457971747 TCL: Center of mass = 6.57105878972 -0.255565943419 0.0201301056129 TCL: atom 1: phi = -0.270758084204 TCL: Center of mass = 6.57225973776 -0.255886480166 0.0206160941042 TCL: atom 1: phi = -0.270203405459 TCL: Center of mass = 6.57346940011 -0.25619006085 0.0210881271937 TCL: atom 1: phi = -0.269542234125 TCL: Center of mass = 6.57463980826 -0.256475953785 0.0215449125979 TCL: atom 1: phi = -0.269024278295 TCL: Center of mass = 6.57583449149 -0.256784628533 0.0219909786972 TCL: atom 1: phi = -0.268441651762 TCL: Center of mass = 6.5770474147 -0.257120044795 0.0224275774831 TCL: atom 1: phi = -0.268087751263 TCL: Center of mass = 6.57827641203 -0.257492988421 0.0228621554334 TCL: atom 1: phi = -0.267730534374 TCL: Center of mass = 6.57949658004 -0.257877285068 0.0232750927232 TCL: atom 1: phi = -0.267549653488 TCL: Center of mass = 6.58069842492 -0.258278439026 0.0236891081069 TCL: atom 1: phi = -0.26728221968 TCL: Center of mass = 6.58188348101 -0.258668481158 0.0240774008 TCL: atom 1: phi = -0.267118955618 TCL: Center of mass = 6.58305954054 -0.259058080266 0.0244518285475 TCL: atom 1: phi = -0.266791255313 TCL: Center of mass = 6.58420082291 -0.259400290155 0.0247941219699 TCL: atom 1: phi = -0.266455622185 TCL: Center of mass = 6.58530868065 -0.259702281946 0.02511730201 TCL: atom 1: phi = -0.265907885808 TCL: Center of mass = 6.5863860564 -0.259983711497 0.0254294596704 TCL: atom 1: phi = -0.265306811239 TCL: Center of mass = 6.58745909411 -0.260267038634 0.0257411517027 TCL: atom 1: phi = -0.264458965865 TCL: Center of mass = 6.58852304377 -0.260554904604 0.0260585357249 TCL: atom 1: phi = -0.263576253889 WRITING COORDINATES TO DCD FILE AT STEP 5200 WRITING COORDINATES TO RESTART FILE AT STEP 5200 FINISHED WRITING RESTART COORDINATES TIMING: 5200 CPU: 277.054, 0.0531219/step Wall: 334.622, 0.0632383/step, 0.25998 hours remaining, 13604 kB of memory in use. ENERGY: 5200 3374.2425 2473.6328 378.1100 36.3101 -44741.8124 4183.6562 0.0000 0.0000 9859.7665 -24436.0944 292.2836 -24293.7996 -24286.8491 290.8750 1088.2354 -1032.8049 125000.0000 -1252.4892 -1246.4423 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5200 WRITING VELOCITIES TO RESTART FILE AT STEP 5200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.58959128278 -0.260882435725 0.0263741743664 TCL: atom 1: phi = -0.262410844517 TCL: Center of mass = 6.59065745531 -0.261243651426 0.0266669884311 TCL: atom 1: phi = -0.261203461653 TCL: Center of mass = 6.59174269693 -0.261646876658 0.0269613181989 TCL: atom 1: phi = -0.25965706933 TCL: Center of mass = 6.59281238829 -0.2620798769 0.0272505422385 TCL: atom 1: phi = -0.258009507351 TCL: Center of mass = 6.5938828457 -0.262518073059 0.0275416963714 TCL: atom 1: phi = -0.256089905377 TCL: Center of mass = 6.59495098991 -0.262950471707 0.0278282295928 TCL: atom 1: phi = -0.25416729734 TCL: Center of mass = 6.59602446842 -0.263373998685 0.028115400129 TCL: atom 1: phi = -0.25200704909 TCL: Center of mass = 6.59708418952 -0.2637599991 0.0283949780311 TCL: atom 1: phi = -0.249959913557 TCL: Center of mass = 6.59816113772 -0.264155204634 0.0286874600267 TCL: atom 1: phi = -0.247898471827 TCL: Center of mass = 6.59922610516 -0.264516079039 0.0289839440132 TCL: atom 1: phi = -0.24610215146 TCL: Center of mass = 6.60032225414 -0.264888488972 0.029293894349 TCL: atom 1: phi = -0.244338823586 TCL: Center of mass = 6.60143155889 -0.265254494957 0.029627265187 TCL: atom 1: phi = -0.242903283087 TCL: Center of mass = 6.60254679415 -0.265618116278 0.0299922735712 TCL: atom 1: phi = -0.241459018473 TCL: Center of mass = 6.603675407 -0.265991319605 0.0303747510865 TCL: atom 1: phi = -0.240314296947 TCL: Center of mass = 6.60478602897 -0.266389796923 0.0307714316548 TCL: atom 1: phi = -0.239176759595 TCL: Center of mass = 6.60590901654 -0.266752565609 0.0311799900509 TCL: atom 1: phi = -0.238304371279 TCL: Center of mass = 6.60703803909 -0.267113513815 0.0316045723541 TCL: atom 1: phi = -0.237468423737 TCL: Center of mass = 6.60816044431 -0.267425535148 0.0320571842672 TCL: atom 1: phi = -0.236913575843 TCL: Center of mass = 6.60927472811 -0.267709401576 0.0325339773831 TCL: atom 1: phi = -0.236388859567 TCL: Center of mass = 6.61039305525 -0.267927742584 0.0330185666109 TCL: atom 1: phi = -0.236223029996 TCL: Center of mass = 6.61150863415 -0.268099750604 0.0335044946886 TCL: atom 1: phi = -0.23609024714 TCL: Center of mass = 6.61261518831 -0.268213331661 0.0340159300173 TCL: atom 1: phi = -0.236158997343 TCL: Center of mass = 6.61374035951 -0.268302470904 0.0345230737189 TCL: atom 1: phi = -0.236093249563 TCL: Center of mass = 6.61486433837 -0.268368633542 0.0350399976054 TCL: atom 1: phi = -0.236099731817 TCL: Center of mass = 6.61599229928 -0.268456842643 0.0355602032346 TCL: atom 1: phi = -0.235946640917 TCL: Center of mass = 6.61712720771 -0.268576729201 0.0360618208508 TCL: atom 1: phi = -0.235856370923 TCL: Center of mass = 6.61828421579 -0.268719347215 0.0365675329407 TCL: atom 1: phi = -0.235714432296 TCL: Center of mass = 6.61944593492 -0.268855884103 0.037053494397 TCL: atom 1: phi = -0.235753678646 TCL: Center of mass = 6.62058758992 -0.269014325201 0.0375336605813 TCL: atom 1: phi = -0.235726948375 TCL: Center of mass = 6.62171769942 -0.269167353353 0.0380186789146 TCL: atom 1: phi = -0.235929045757 TCL: Center of mass = 6.6228396734 -0.269318307737 0.0384854999988 TCL: atom 1: phi = -0.236145651817 TCL: Center of mass = 6.62394055367 -0.269445631915 0.0389427293514 TCL: atom 1: phi = -0.236457672951 TCL: Center of mass = 6.62501749454 -0.269567843053 0.0393943169784 TCL: atom 1: phi = -0.236699619604 TCL: Center of mass = 6.62611189392 -0.269703815857 0.0398288249626 TCL: atom 1: phi = -0.23705393766 TCL: Center of mass = 6.62719779891 -0.269885445562 0.040267553442 TCL: atom 1: phi = -0.237314990311 TCL: Center of mass = 6.6282807801 -0.270106946738 0.0406942923554 TCL: atom 1: phi = -0.237727730699 TCL: Center of mass = 6.62938730142 -0.270400738521 0.0411297698848 TCL: atom 1: phi = -0.238018961203 TCL: Center of mass = 6.63052693572 -0.27071478213 0.0415644167371 TCL: atom 1: phi = -0.238488858629 TCL: Center of mass = 6.63169955556 -0.271083369771 0.0420064957336 TCL: atom 1: phi = -0.238976737733 TCL: Center of mass = 6.63287075218 -0.271440063547 0.0424542923295 TCL: atom 1: phi = -0.239654784262 TCL: Center of mass = 6.6340554749 -0.271793080873 0.0429274346716 TCL: atom 1: phi = -0.240317715651 TCL: Center of mass = 6.63522978841 -0.272087856072 0.0434115256465 TCL: atom 1: phi = -0.241040162846 TCL: Center of mass = 6.63640826035 -0.272329492569 0.0438853578049 TCL: atom 1: phi = -0.241550005173 TCL: Center of mass = 6.63757688359 -0.272496374814 0.0443487077726 TCL: atom 1: phi = -0.241982552648 TCL: Center of mass = 6.63875128348 -0.272636134328 0.0448030262648 TCL: atom 1: phi = -0.242142063099 TCL: Center of mass = 6.6399364989 -0.272758463789 0.0452680245163 TCL: atom 1: phi = -0.242288640147 TCL: Center of mass = 6.64114980767 -0.272907168217 0.045745901824 TCL: atom 1: phi = -0.242328731446 TCL: Center of mass = 6.64239363912 -0.273089061303 0.0462138601434 TCL: atom 1: phi = -0.242570594112 TCL: Center of mass = 6.643660242 -0.273345794196 0.0466739646889 TCL: atom 1: phi = -0.242829126578 TCL: Center of mass = 6.64492992208 -0.273609370326 0.047111699761 TCL: atom 1: phi = -0.243397688057 TCL: Center of mass = 6.64620111285 -0.27390573619 0.04752572786 TCL: atom 1: phi = -0.244008142384 TCL: Center of mass = 6.6474457368 -0.274182026575 0.0478939615681 TCL: atom 1: phi = -0.244676400255 TCL: Center of mass = 6.64865442784 -0.274430863864 0.0482320580261 TCL: atom 1: phi = -0.24520239369 TCL: Center of mass = 6.64983108954 -0.274626287613 0.0485429738496 TCL: atom 1: phi = -0.245682697021 TCL: Center of mass = 6.65096768028 -0.274780731491 0.0488397624787 TCL: atom 1: phi = -0.245929566337 TCL: Center of mass = 6.6520742972 -0.274895659899 0.0491105403939 TCL: atom 1: phi = -0.246090536155 TCL: Center of mass = 6.65320489549 -0.27505486809 0.0493661186401 TCL: atom 1: phi = -0.246033933886 TCL: Center of mass = 6.65436715087 -0.27523357876 0.0496142893704 TCL: atom 1: phi = -0.246057922789 TCL: Center of mass = 6.65555826984 -0.275498483538 0.0498574945695 TCL: atom 1: phi = -0.246028593273 TCL: Center of mass = 6.65678173248 -0.275809602788 0.0500995199513 TCL: atom 1: phi = -0.246122139618 TCL: Center of mass = 6.65803222811 -0.276177836702 0.0503491291957 TCL: atom 1: phi = -0.246131853564 TCL: Center of mass = 6.65927790766 -0.276540652425 0.0506014680853 TCL: atom 1: phi = -0.246099498209 TCL: Center of mass = 6.66050387043 -0.276899758825 0.0508699323158 TCL: atom 1: phi = -0.245767501642 TCL: Center of mass = 6.66172502901 -0.277210239052 0.0511445273254 TCL: atom 1: phi = -0.245207776856 TCL: Center of mass = 6.66293671788 -0.277462268201 0.0514422256882 TCL: atom 1: phi = -0.244276844858 TCL: Center of mass = 6.6641444911 -0.277656039449 0.0517418956075 TCL: atom 1: phi = -0.243130819036 TCL: Center of mass = 6.66535088553 -0.277827503767 0.0520707088536 TCL: atom 1: phi = -0.241722689995 TCL: Center of mass = 6.6665799883 -0.277983901069 0.0524018292551 TCL: atom 1: phi = -0.240255418777 TCL: Center of mass = 6.66783948882 -0.278170412211 0.0527584858061 TCL: atom 1: phi = -0.23872032932 TCL: Center of mass = 6.66912254618 -0.278380107365 0.0531056991373 TCL: atom 1: phi = -0.237395821413 TCL: Center of mass = 6.67041012054 -0.278638268875 0.0534890859269 TCL: atom 1: phi = -0.236133727019 TCL: Center of mass = 6.67171174415 -0.278920279416 0.0538506421 TCL: atom 1: phi = -0.235099753808 TCL: Center of mass = 6.67299627829 -0.279217744513 0.0542057609815 TCL: atom 1: phi = -0.234020705682 TCL: Center of mass = 6.67425153531 -0.279481511855 0.0545388372396 TCL: atom 1: phi = -0.233006855815 TCL: Center of mass = 6.67546032855 -0.279736733698 0.0548519889755 TCL: atom 1: phi = -0.23184536256 TCL: Center of mass = 6.67663037823 -0.279952393467 0.055149142934 TCL: atom 1: phi = -0.230770656126 TCL: Center of mass = 6.67779314318 -0.280173028559 0.0554485503699 TCL: atom 1: phi = -0.22962593058 TCL: Center of mass = 6.67895835057 -0.280374816841 0.055728061758 TCL: atom 1: phi = -0.228691798699 TCL: Center of mass = 6.6801376469 -0.280610865286 0.0559996965851 TCL: atom 1: phi = -0.227825063104 TCL: Center of mass = 6.68130976258 -0.280891110305 0.0562436386545 TCL: atom 1: phi = -0.227308389846 TCL: Center of mass = 6.68247496094 -0.28121689475 0.0564641105725 TCL: atom 1: phi = -0.226870032494 TCL: Center of mass = 6.6836476136 -0.281576085846 0.0566316437668 TCL: atom 1: phi = -0.226685046055 TCL: Center of mass = 6.68479814968 -0.28196280085 0.0567818457038 TCL: atom 1: phi = -0.226411799904 TCL: Center of mass = 6.68593929473 -0.282352856176 0.0569093164462 TCL: atom 1: phi = -0.226160214369 TCL: Center of mass = 6.68709234047 -0.282722396261 0.0570359489653 TCL: atom 1: phi = -0.225570268459 TCL: Center of mass = 6.68824686768 -0.283063852664 0.057144078056 TCL: atom 1: phi = -0.224845748055 TCL: Center of mass = 6.68941779294 -0.283381398903 0.057258237732 TCL: atom 1: phi = -0.223809732972 TCL: Center of mass = 6.69061146979 -0.2836576908 0.0573632791906 TCL: atom 1: phi = -0.222774399923 TCL: Center of mass = 6.69181877747 -0.283925750342 0.057458707473 TCL: atom 1: phi = -0.221623999765 TCL: Center of mass = 6.69304755436 -0.284173826319 0.0575439049431 TCL: atom 1: phi = -0.220641899083 TCL: Center of mass = 6.69430962309 -0.284427552684 0.0576352569437 TCL: atom 1: phi = -0.219597981934 TCL: Center of mass = 6.69560029813 -0.284684204316 0.0577360214818 TCL: atom 1: phi = -0.218694517447 TCL: Center of mass = 6.69691981755 -0.284958638598 0.0578639322462 TCL: atom 1: phi = -0.217660350998 TCL: Center of mass = 6.69827159312 -0.285228560124 0.0580075067064 TCL: atom 1: phi = -0.216599924272 TCL: Center of mass = 6.69964923823 -0.285506366996 0.0581581650213 TCL: atom 1: phi = -0.215264654178 TCL: Center of mass = 6.70103488734 -0.285786249883 0.0583293463537 TCL: atom 1: phi = -0.213823791236 TCL: Center of mass = 6.70240924262 -0.286071123917 0.0585241540305 TCL: atom 1: phi = -0.212178220439 TCL: Center of mass = 6.70377588589 -0.286330076305 0.0587227964012 TCL: atom 1: phi = -0.210630073746 TCL: Center of mass = 6.70512975765 -0.286601704452 0.0589336999248 TCL: atom 1: phi = -0.209112388344 TCL: Center of mass = 6.70645544574 -0.286866091585 0.0591438018545 TCL: atom 1: phi = -0.207811792293 WRITING COORDINATES TO DCD FILE AT STEP 5300 WRITING COORDINATES TO RESTART FILE AT STEP 5300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5300 FINISHED WRITING RESTART VELOCITIES TIMING: 5300 CPU: 282.374, 0.0532019/step Wall: 340.944, 0.063216/step, 0.258132 hours remaining, 13604 kB of memory in use. ENERGY: 5300 3407.5786 2502.9894 380.6906 34.1457 -44343.6824 3886.3626 0.0000 0.0000 9718.8538 -24413.0617 288.1064 -24268.9430 -24270.2378 290.8403 438.4492 -1949.8517 125000.0000 -1629.2118 -1632.1087 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5300 TCL: Center of mass = 6.70776146467 -0.287130135624 0.0593430040315 TCL: atom 1: phi = -0.20654968671 TCL: Center of mass = 6.70904001935 -0.287386529782 0.0595228960429 TCL: atom 1: phi = -0.20550093885 TCL: Center of mass = 6.71031491395 -0.287673981432 0.0597204826821 TCL: atom 1: phi = -0.204348313158 TCL: Center of mass = 6.7115762348 -0.287973165306 0.0599011186612 TCL: atom 1: phi = -0.203267679416 TCL: Center of mass = 6.71284954049 -0.288311040118 0.0600774735508 TCL: atom 1: phi = -0.201893256001 TCL: Center of mass = 6.71414601836 -0.288664664023 0.0602503696117 TCL: atom 1: phi = -0.200500400356 TCL: Center of mass = 6.71546755729 -0.289037746747 0.0604422064158 TCL: atom 1: phi = -0.198866895183 TCL: Center of mass = 6.71677179999 -0.289380176953 0.0606396342216 TCL: atom 1: phi = -0.197414813584 TCL: Center of mass = 6.71807157718 -0.289716216322 0.0608582457125 TCL: atom 1: phi = -0.196007325215 TCL: Center of mass = 6.71935515916 -0.289999359471 0.0610704986347 TCL: atom 1: phi = -0.195025892529 TCL: Center of mass = 6.72062823355 -0.290254535635 0.0612896296988 TCL: atom 1: phi = -0.194222381176 TCL: Center of mass = 6.7219004799 -0.290443699198 0.0614961760351 TCL: atom 1: phi = -0.193838534279 TCL: Center of mass = 6.72318485821 -0.290608829808 0.0617027398022 TCL: atom 1: phi = -0.193514869741 TCL: Center of mass = 6.7244940372 -0.290738799138 0.061866908693 TCL: atom 1: phi = -0.19344053733 TCL: Center of mass = 6.72582945408 -0.290890028947 0.0620468426125 TCL: atom 1: phi = -0.193218552792 TCL: Center of mass = 6.72723505492 -0.291041177848 0.0622153827474 TCL: atom 1: phi = -0.193195854176 TCL: Center of mass = 6.72865985702 -0.291202114839 0.0623803170966 TCL: atom 1: phi = -0.193030853967 TCL: Center of mass = 6.73007865843 -0.291345572693 0.0625491630362 TCL: atom 1: phi = -0.193205226559 TCL: Center of mass = 6.73149022063 -0.291501221567 0.0627167099396 TCL: atom 1: phi = -0.193438419211 TCL: Center of mass = 6.73284349442 -0.291621678697 0.0628789774394 TCL: atom 1: phi = -0.194122023545 TCL: Center of mass = 6.73414054821 -0.29172565857 0.0630109820065 TCL: atom 1: phi = -0.194903839985 TCL: Center of mass = 6.73538137232 -0.291790309234 0.0631133089465 TCL: atom 1: phi = -0.196164691418 TCL: Center of mass = 6.73658247727 -0.291857022715 0.0631927766803 TCL: atom 1: phi = -0.197349816033 TCL: Center of mass = 6.73778353253 -0.291930605643 0.0632327395858 TCL: atom 1: phi = -0.198762139139 TCL: Center of mass = 6.7390014285 -0.29204935794 0.0632679699782 TCL: atom 1: phi = -0.199899955148 TCL: Center of mass = 6.74023915313 -0.292204620195 0.0632942697444 TCL: atom 1: phi = -0.201156081011 TCL: Center of mass = 6.74151193861 -0.292437446219 0.0633575385255 TCL: atom 1: phi = -0.202020767156 TCL: Center of mass = 6.74280390781 -0.292711775554 0.0634265756103 TCL: atom 1: phi = -0.202981689436 TCL: Center of mass = 6.74410255235 -0.293022270607 0.0635256363063 TCL: atom 1: phi = -0.203679325544 TCL: Center of mass = 6.74538586675 -0.293305234358 0.0636388043687 TCL: atom 1: phi = -0.204584574774 TCL: Center of mass = 6.74664610599 -0.293586315709 0.0637735249752 TCL: atom 1: phi = -0.205348407596 TCL: Center of mass = 6.74786065056 -0.293790295889 0.0639169681746 TCL: atom 1: phi = -0.206352998205 TCL: Center of mass = 6.74907178391 -0.293961931506 0.0640720804574 TCL: atom 1: phi = -0.207064081683 TCL: Center of mass = 6.75029655472 -0.294085148401 0.0642218269443 TCL: atom 1: phi = -0.207824796854 TCL: Center of mass = 6.75155386208 -0.294189289531 0.0643777099323 TCL: atom 1: phi = -0.208204613025 TCL: Center of mass = 6.75286110834 -0.294269919535 0.0645139761183 TCL: atom 1: phi = -0.208585364304 TCL: Center of mass = 6.75422773171 -0.294394126624 0.0646573359078 TCL: atom 1: phi = -0.208599390272 TCL: Center of mass = 6.75562817035 -0.294523524103 0.0648165365622 TCL: atom 1: phi = -0.208795502134 TCL: Center of mass = 6.75708780182 -0.294679986425 0.064970744806 TCL: atom 1: phi = -0.208936605684 TCL: Center of mass = 6.75855880573 -0.294800793342 0.06513858056 TCL: atom 1: phi = -0.209478637242 TCL: Center of mass = 6.76000529119 -0.294904342378 0.0653209137911 TCL: atom 1: phi = -0.210089223333 TCL: Center of mass = 6.76139709359 -0.29496351079 0.0654982479513 TCL: atom 1: phi = -0.211131896851 TCL: Center of mass = 6.7627469937 -0.294967324898 0.0657055821091 TCL: atom 1: phi = -0.212154174529 TCL: Center of mass = 6.76406576421 -0.294924103959 0.0658817447623 TCL: atom 1: phi = -0.213413542543 TCL: Center of mass = 6.76536134522 -0.294866621403 0.0660455078903 TCL: atom 1: phi = -0.214435425197 TCL: Center of mass = 6.76663387627 -0.294802995813 0.0661724715169 TCL: atom 1: phi = -0.215497122229 TCL: Center of mass = 6.76792781084 -0.294753670973 0.0662920502724 TCL: atom 1: phi = -0.216277225908 TCL: Center of mass = 6.76924480469 -0.294725118301 0.066388580738 TCL: atom 1: phi = -0.217102332609 TCL: Center of mass = 6.77058089409 -0.29475601955 0.0664876691804 TCL: atom 1: phi = -0.217691049305 TCL: Center of mass = 6.77191187493 -0.294802532887 0.0665619343601 TCL: atom 1: phi = -0.218563058291 TCL: Center of mass = 6.77321683776 -0.294894474128 0.0666478351288 TCL: atom 1: phi = -0.219441517237 TCL: Center of mass = 6.77449418807 -0.294950070747 0.0667559537479 TCL: atom 1: phi = -0.220588510328 TCL: Center of mass = 6.77575617459 -0.294987471089 0.0668832211897 TCL: atom 1: phi = -0.221680420428 TCL: Center of mass = 6.77697364897 -0.294957427605 0.0669978094379 TCL: atom 1: phi = -0.222839969141 TCL: Center of mass = 6.7781804071 -0.294909211764 0.0671238395337 TCL: atom 1: phi = -0.223701747269 TCL: Center of mass = 6.7793630519 -0.294817375042 0.0672479567518 TCL: atom 1: phi = -0.224537831948 TCL: Center of mass = 6.78054702181 -0.294722084691 0.0673724608141 TCL: atom 1: phi = -0.225094762415 TCL: Center of mass = 6.78172607154 -0.294639747074 0.0674765397149 TCL: atom 1: phi = -0.225630871291 TCL: Center of mass = 6.78292920806 -0.294587577088 0.0675904912718 TCL: atom 1: phi = -0.225957713353 TCL: Center of mass = 6.78415100706 -0.294556658902 0.0676991099078 TCL: atom 1: phi = -0.226498370446 TCL: Center of mass = 6.78541241754 -0.294544970829 0.0678376791872 TCL: atom 1: phi = -0.226951460851 TCL: Center of mass = 6.78670349544 -0.294535405615 0.0679545056347 TCL: atom 1: phi = -0.227613671063 TCL: Center of mass = 6.78800954238 -0.2945310592 0.0680954153223 TCL: atom 1: phi = -0.228301164125 TCL: Center of mass = 6.78933308792 -0.294497135607 0.068237047798 TCL: atom 1: phi = -0.229093372615 TCL: Center of mass = 6.79068325065 -0.294444995107 0.0683825762852 TCL: atom 1: phi = -0.22968267049 TCL: Center of mass = 6.79205379685 -0.294364992822 0.068528042768 TCL: atom 1: phi = -0.230170621722 TCL: Center of mass = 6.7934431254 -0.294273080603 0.0686856241206 TCL: atom 1: phi = -0.23026686577 TCL: Center of mass = 6.79483873926 -0.294160073818 0.0688472747804 TCL: atom 1: phi = -0.230245237698 TCL: Center of mass = 6.79624383307 -0.294083897518 0.0690535363512 TCL: atom 1: phi = -0.230023735194 TCL: Center of mass = 6.79765780138 -0.294048767449 0.0692769384595 TCL: atom 1: phi = -0.229844615903 TCL: Center of mass = 6.79911497656 -0.294085303878 0.0694942387387 TCL: atom 1: phi = -0.229621748066 TCL: Center of mass = 6.80061926305 -0.294160800409 0.0697373701509 TCL: atom 1: phi = -0.229497791076 TCL: Center of mass = 6.80216480285 -0.294255914016 0.0699920727752 TCL: atom 1: phi = -0.229309760633 TCL: Center of mass = 6.80373747375 -0.294374259456 0.0702536457149 TCL: atom 1: phi = -0.229175835571 TCL: Center of mass = 6.80534277654 -0.294517864798 0.0705290543949 TCL: atom 1: phi = -0.228851603453 TCL: Center of mass = 6.80696243154 -0.294662097924 0.070828401126 TCL: atom 1: phi = -0.228418032204 TCL: Center of mass = 6.80856601693 -0.294794661801 0.0711291058804 TCL: atom 1: phi = -0.22755053661 TCL: Center of mass = 6.81015782913 -0.294918087709 0.0714499721576 TCL: atom 1: phi = -0.226582995097 TCL: Center of mass = 6.81171960034 -0.295066467933 0.0717724063658 TCL: atom 1: phi = -0.225435327762 TCL: Center of mass = 6.81327122218 -0.295208455122 0.0720898050755 TCL: atom 1: phi = -0.224421741311 TCL: Center of mass = 6.81481408572 -0.295374859813 0.0724068211215 TCL: atom 1: phi = -0.223405141807 TCL: Center of mass = 6.8163718473 -0.295525357389 0.0726968632128 TCL: atom 1: phi = -0.222745087167 TCL: Center of mass = 6.81795452157 -0.295691141048 0.0729729393141 TCL: atom 1: phi = -0.222122771436 TCL: Center of mass = 6.81955640553 -0.295856138258 0.0732436548807 TCL: atom 1: phi = -0.221831573835 TCL: Center of mass = 6.82118198159 -0.296030597943 0.07350895278 TCL: atom 1: phi = -0.221605075013 TCL: Center of mass = 6.82281447106 -0.296167594962 0.0737601760411 TCL: atom 1: phi = -0.221579943713 TCL: Center of mass = 6.82444948475 -0.29630220699 0.074016376789 TCL: atom 1: phi = -0.221407314423 TCL: Center of mass = 6.82607064396 -0.296383003435 0.0742548805772 TCL: atom 1: phi = -0.221331450095 TCL: Center of mass = 6.82767143917 -0.296445619715 0.0744926707739 TCL: atom 1: phi = -0.221139967771 TCL: Center of mass = 6.82922613769 -0.296450389001 0.0747082161393 TCL: atom 1: phi = -0.221140063184 TCL: Center of mass = 6.83076767272 -0.296444299535 0.0749332526322 TCL: atom 1: phi = -0.221142668767 TCL: Center of mass = 6.83230888425 -0.296377723842 0.0751437371474 TCL: atom 1: phi = -0.221460824905 TCL: Center of mass = 6.83386396166 -0.296336803283 0.0753453692294 TCL: atom 1: phi = -0.22173184795 TCL: Center of mass = 6.83547243105 -0.296318652714 0.0755428255484 TCL: atom 1: phi = -0.222212567702 TCL: Center of mass = 6.83714660202 -0.296331172273 0.0757562481279 TCL: atom 1: phi = -0.222553711527 TCL: Center of mass = 6.8388471131 -0.296333351883 0.0759872446158 TCL: atom 1: phi = -0.222900685365 TCL: Center of mass = 6.84058765484 -0.29636608815 0.0762349643668 TCL: atom 1: phi = -0.22289292487 TCL: Center of mass = 6.84234826549 -0.296360469194 0.0764848826663 TCL: atom 1: phi = -0.22274868792 TCL: Center of mass = 6.84410068547 -0.296355590979 0.0767658509007 TCL: atom 1: phi = -0.222267184479 TCL: Center of mass = 6.84584901435 -0.296324864929 0.0770671933226 TCL: atom 1: phi = -0.221794787632 TIMING: 5400 CPU: 287.697, 0.0532319/step Wall: 347.163, 0.0621996/step, 0.252254 hours remaining, 13604 kB of memory in use. ENERGY: 5400 3400.6561 2451.2180 383.3798 39.9993 -44474.0316 3978.6737 0.0000 0.0000 9814.5468 -24405.5579 290.9431 -24261.7420 -24262.0152 288.5172 1186.0382 -1405.4429 125000.0000 -1629.0757 -1631.0046 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5400 WRITING COORDINATES TO DCD FILE AT STEP 5400 WRITING COORDINATES TO RESTART FILE AT STEP 5400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.84757340139 -0.296250228793 0.0773675416626 TCL: atom 1: phi = -0.221265888491 TCL: Center of mass = 6.84927560095 -0.296148471338 0.0776591447322 TCL: atom 1: phi = -0.220997799074 TCL: Center of mass = 6.85097424158 -0.29605720165 0.0779419329897 TCL: atom 1: phi = -0.220757953104 TCL: Center of mass = 6.85268827212 -0.295970003563 0.0782019051939 TCL: atom 1: phi = -0.220844024672 TCL: Center of mass = 6.85441760853 -0.295904817249 0.0784287248119 TCL: atom 1: phi = -0.220972886888 TCL: Center of mass = 6.85619179131 -0.295852967464 0.0786274368611 TCL: atom 1: phi = -0.221212452105 TCL: Center of mass = 6.85798207775 -0.295862376083 0.0788068278593 TCL: atom 1: phi = -0.22124747141 TCL: Center of mass = 6.85978450733 -0.295853354985 0.0789531294499 TCL: atom 1: phi = -0.221280707342 TCL: Center of mass = 6.86157858988 -0.295863769921 0.0790836709228 TCL: atom 1: phi = -0.221024550848 TCL: Center of mass = 6.86331059593 -0.29581796198 0.0791755158424 TCL: atom 1: phi = -0.220837670294 TCL: Center of mass = 6.86499459415 -0.295753573326 0.0792368573347 TCL: atom 1: phi = -0.220538871388 TCL: Center of mass = 6.86662524983 -0.295629233465 0.0792526170497 TCL: atom 1: phi = -0.220402841066 TCL: Center of mass = 6.86822294293 -0.2954970197 0.0792441358486 TCL: atom 1: phi = -0.220169066475 TCL: Center of mass = 6.86979411471 -0.295343805396 0.0792003281324 TCL: atom 1: phi = -0.220175844778 TCL: Center of mass = 6.87137000456 -0.2952383967 0.0791539599478 TCL: atom 1: phi = -0.220086916883 TCL: Center of mass = 6.87295227767 -0.295151731845 0.0791081268045 TCL: atom 1: phi = -0.220139936273 TCL: Center of mass = 6.87455438352 -0.295108854726 0.0790612792677 TCL: atom 1: phi = -0.220017818631 TCL: Center of mass = 6.87615161844 -0.295090626966 0.0790333336507 TCL: atom 1: phi = -0.219978442251 TCL: Center of mass = 6.87773473441 -0.295095218037 0.0790346837762 TCL: atom 1: phi = -0.219688101082 TCL: Center of mass = 6.87929709862 -0.295065564809 0.0790524851113 TCL: atom 1: phi = -0.219519037883 TCL: Center of mass = 6.88082965477 -0.295007868536 0.0791059532588 TCL: atom 1: phi = -0.219226958438 TCL: Center of mass = 6.8823214679 -0.29487923658 0.0791868194028 TCL: atom 1: phi = -0.21920079091 TCL: Center of mass = 6.88378789352 -0.29470368889 0.079282676153 TCL: atom 1: phi = -0.219178006204 TCL: Center of mass = 6.88520553387 -0.294451372522 0.0793936478242 TCL: atom 1: phi = -0.219490363612 TCL: Center of mass = 6.88660791501 -0.294193449237 0.0795240540564 TCL: atom 1: phi = -0.219901413218 TCL: Center of mass = 6.88802843237 -0.293906422785 0.0796547359711 TCL: atom 1: phi = -0.220585883963 TCL: Center of mass = 6.88945805187 -0.293642523977 0.0797981009565 TCL: atom 1: phi = -0.221157049641 TCL: Center of mass = 6.89090769397 -0.293387312409 0.0799475785509 TCL: atom 1: phi = -0.221755452741 TCL: Center of mass = 6.89239458389 -0.293168784653 0.0801106031007 TCL: atom 1: phi = -0.222131635066 TCL: Center of mass = 6.89388895383 -0.292926593237 0.080285381811 TCL: atom 1: phi = -0.222571499011 TCL: Center of mass = 6.89538991832 -0.292674702769 0.0804522803026 TCL: atom 1: phi = -0.222900845368 TCL: Center of mass = 6.89686668169 -0.292371014412 0.0805953857246 TCL: atom 1: phi = -0.223343487125 TCL: Center of mass = 6.89832365363 -0.29204537503 0.080717234706 TCL: atom 1: phi = -0.223721824672 TCL: Center of mass = 6.89974934963 -0.291661515183 0.080812592826 TCL: atom 1: phi = -0.224349087609 TCL: Center of mass = 6.90116331423 -0.291269722442 0.0809035557601 TCL: atom 1: phi = -0.224882833884 TCL: Center of mass = 6.90256073386 -0.290871783066 0.0809712939567 TCL: atom 1: phi = -0.225493088665 TCL: Center of mass = 6.90394292935 -0.290517936443 0.0810298030815 TCL: atom 1: phi = -0.225763806281 TCL: Center of mass = 6.90530653172 -0.290179026861 0.0810730208784 TCL: atom 1: phi = -0.225902900937 TCL: Center of mass = 6.90668432474 -0.289889810493 0.081108390905 TCL: atom 1: phi = -0.225624119581 TCL: Center of mass = 6.90806336301 -0.289601849571 0.0811344411871 TCL: atom 1: phi = -0.225169106814 TCL: Center of mass = 6.90944873312 -0.289325504902 0.0811677561638 TCL: atom 1: phi = -0.224434851011 TCL: Center of mass = 6.91082951575 -0.289006653085 0.0812085711009 TCL: atom 1: phi = -0.223726355312 TCL: Center of mass = 6.91220665888 -0.288663843649 0.0812596784711 TCL: atom 1: phi = -0.222921872337 TCL: Center of mass = 6.9135799884 -0.288253314231 0.0813324189089 TCL: atom 1: phi = -0.222232602759 TCL: Center of mass = 6.91492784383 -0.287814339712 0.0814219737373 TCL: atom 1: phi = -0.221513879413 TCL: Center of mass = 6.91626420129 -0.287334777489 0.0815411083128 TCL: atom 1: phi = -0.220986085415 TCL: Center of mass = 6.91759445678 -0.28683613354 0.0816750048994 TCL: atom 1: phi = -0.220401664185 TCL: Center of mass = 6.91891670662 -0.286294816638 0.0818225486929 TCL: atom 1: phi = -0.219829387096 TCL: Center of mass = 6.92022739418 -0.285787960495 0.0819954020702 TCL: atom 1: phi = -0.219022079373 TCL: Center of mass = 6.92152798596 -0.285289760118 0.082213297674 TCL: atom 1: phi = -0.218196784325 TCL: Center of mass = 6.92287453023 -0.284830460146 0.0824330779357 TCL: atom 1: phi = -0.217142792051 TCL: Center of mass = 6.92425740524 -0.284356841289 0.0826616449976 TCL: atom 1: phi = -0.216254929915 TCL: Center of mass = 6.92568710121 -0.28389434297 0.0828848994114 TCL: atom 1: phi = -0.215387908878 TCL: Center of mass = 6.92716215208 -0.283413946706 0.0830779354442 TCL: atom 1: phi = -0.214850265479 TCL: Center of mass = 6.9286703564 -0.282984488477 0.0832513047808 TCL: atom 1: phi = -0.214447134898 TCL: Center of mass = 6.93018675337 -0.282555030136 0.0833969527703 TCL: atom 1: phi = -0.214391206796 TCL: Center of mass = 6.93169498876 -0.282154864466 0.0835324907827 TCL: atom 1: phi = -0.214312262194 TCL: Center of mass = 6.93318457911 -0.281792879782 0.0836362917802 TCL: atom 1: phi = -0.214355872537 TCL: Center of mass = 6.93465600898 -0.281493778501 0.0837442394451 TCL: atom 1: phi = -0.214201096117 TCL: Center of mass = 6.93611178753 -0.281227595146 0.0838190971865 TCL: atom 1: phi = -0.214072067524 TCL: Center of mass = 6.93757404843 -0.28101119635 0.0838575304319 TCL: atom 1: phi = -0.213744564652 TCL: Center of mass = 6.93905742242 -0.28081866274 0.0838535932801 TCL: atom 1: phi = -0.213547293538 TCL: Center of mass = 6.94059450905 -0.280671851854 0.083840700334 TCL: atom 1: phi = -0.213341649539 TCL: Center of mass = 6.94218777305 -0.280576231607 0.0838185361071 TCL: atom 1: phi = -0.213435379889 TCL: Center of mass = 6.94380006091 -0.28048976422 0.0838160396304 TCL: atom 1: phi = -0.213670514704 TCL: Center of mass = 6.94544511268 -0.280428216931 0.0838225270279 TCL: atom 1: phi = -0.214264842906 TCL: Center of mass = 6.94707523678 -0.280391428224 0.0838808529976 TCL: atom 1: phi = -0.214916628169 TCL: Center of mass = 6.94866875336 -0.280340632752 0.083988868236 TCL: atom 1: phi = -0.215722068728 TCL: Center of mass = 6.95022722777 -0.280278027759 0.0841658315046 TCL: atom 1: phi = -0.216314976657 TCL: Center of mass = 6.95174564437 -0.280194412449 0.0843909139075 TCL: atom 1: phi = -0.216870665832 TCL: Center of mass = 6.95325046015 -0.280104903919 0.0846686454403 TCL: atom 1: phi = -0.217054858768 TCL: Center of mass = 6.95474559396 -0.280011762964 0.0849802837514 TCL: atom 1: phi = -0.217203647965 TCL: Center of mass = 6.95626442197 -0.279908497082 0.0853020597569 TCL: atom 1: phi = -0.217161014048 TCL: Center of mass = 6.95780275832 -0.279813667679 0.085655474918 TCL: atom 1: phi = -0.217134423411 TCL: Center of mass = 6.95935715953 -0.279735062764 0.086034856588 TCL: atom 1: phi = -0.216957866102 TCL: Center of mass = 6.96089688747 -0.27966272842 0.0864457091876 TCL: atom 1: phi = -0.216828209041 TCL: Center of mass = 6.96243184596 -0.279598212186 0.0868886068389 TCL: atom 1: phi = -0.216544610644 TCL: Center of mass = 6.96392498153 -0.279534542503 0.0873644664874 TCL: atom 1: phi = -0.216261409704 TCL: Center of mass = 6.96537633086 -0.279473601766 0.0878615189758 TCL: atom 1: phi = -0.215694421061 TCL: Center of mass = 6.96675108573 -0.279391211555 0.0883709778176 TCL: atom 1: phi = -0.214937763512 TCL: Center of mass = 6.96805579873 -0.279300640296 0.0888794981265 TCL: atom 1: phi = -0.213789280402 TCL: Center of mass = 6.96930945488 -0.279208695991 0.0893631058858 TCL: atom 1: phi = -0.212543854389 TCL: Center of mass = 6.97055115843 -0.279141848705 0.0898372342817 TCL: atom 1: phi = -0.211195535854 TCL: Center of mass = 6.97179565126 -0.279101199069 0.0902805538653 TCL: atom 1: phi = -0.210025268068 TCL: Center of mass = 6.9730728522 -0.279079392627 0.0906962636977 TCL: atom 1: phi = -0.208961230702 TCL: Center of mass = 6.9743762389 -0.27908396475 0.0910806988976 TCL: atom 1: phi = -0.208267076597 TCL: Center of mass = 6.97568654698 -0.279127554101 0.0914470210878 TCL: atom 1: phi = -0.207741651132 TCL: Center of mass = 6.97700167259 -0.279182838388 0.09180056961 TCL: atom 1: phi = -0.207541128949 TCL: Center of mass = 6.97830763572 -0.27923072153 0.0921375251203 TCL: atom 1: phi = -0.207331866442 TCL: Center of mass = 6.97962010809 -0.279239377572 0.0924721831039 TCL: atom 1: phi = -0.207285459547 TCL: Center of mass = 6.98090323032 -0.279214726161 0.0928119082531 TCL: atom 1: phi = -0.207132567169 TCL: Center of mass = 6.98219326016 -0.279177220492 0.0931482265947 TCL: atom 1: phi = -0.207152609745 TCL: Center of mass = 6.98347727274 -0.279120140621 0.0935093086405 TCL: atom 1: phi = -0.207127194703 TCL: Center of mass = 6.98477635796 -0.279074562269 0.0938890218662 TCL: atom 1: phi = -0.207295129062 TCL: Center of mass = 6.98610882072 -0.279043117811 0.0943045188846 TCL: atom 1: phi = -0.207520707542 TCL: Center of mass = 6.98747236354 -0.279024198261 0.0947298825152 TCL: atom 1: phi = -0.207990112675 TCL: Center of mass = 6.98889020066 -0.279030038918 0.0951591397476 TCL: atom 1: phi = -0.208504068129 TCL: Center of mass = 6.99032266566 -0.279027643362 0.0955645421623 TCL: atom 1: phi = -0.20918287881 TCL: Center of mass = 6.99178197157 -0.279027229759 0.0959597684016 TCL: atom 1: phi = -0.20977771553 TCL: Center of mass = 6.99321375631 -0.278989171723 0.096367862019 TCL: atom 1: phi = -0.210396857613 WRITING COORDINATES TO DCD FILE AT STEP 5500 WRITING COORDINATES TO RESTART FILE AT STEP 5500 FINISHED WRITING RESTART COORDINATES TIMING: 5500 CPU: 293.022, 0.0532519/step Wall: 353.492, 0.0632852/step, 0.254899 hours remaining, 13604 kB of memory in use. ENERGY: 5500 3377.0317 2458.7434 386.6051 37.9618 -44434.4406 3996.7932 0.0000 0.0000 9760.3186 -24416.9868 289.3356 -24273.1584 -24274.2356 289.5825 871.4175 -1518.2182 125000.0000 -1663.2419 -1667.4228 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5500 WRITING VELOCITIES TO RESTART FILE AT STEP 5500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.99465601909 -0.278948236507 0.0967883251513 TCL: atom 1: phi = -0.210779070442 TCL: Center of mass = 6.99609367185 -0.2788866597 0.0972199190996 TCL: atom 1: phi = -0.211195512858 TCL: Center of mass = 6.99751091238 -0.278849883875 0.0976530184363 TCL: atom 1: phi = -0.211393654836 TCL: Center of mass = 6.99890570371 -0.278817508027 0.0980923674791 TCL: atom 1: phi = -0.211578645345 TCL: Center of mass = 7.00028476403 -0.278788962826 0.098532573639 TCL: atom 1: phi = -0.211794546948 TCL: Center of mass = 7.00165274372 -0.278771366976 0.0989549265719 TCL: atom 1: phi = -0.212231328439 TCL: Center of mass = 7.00302255744 -0.278779973068 0.09938432692 TCL: atom 1: phi = -0.212734885974 TCL: Center of mass = 7.00438210558 -0.278797281545 0.0998130646253 TCL: atom 1: phi = -0.213415526566 TCL: Center of mass = 7.00573501824 -0.278838560284 0.100242560256 TCL: atom 1: phi = -0.214065380706 TCL: Center of mass = 7.00708241029 -0.278869416136 0.100657872854 TCL: atom 1: phi = -0.214847837091 TCL: Center of mass = 7.00842548572 -0.278898755184 0.101083132974 TCL: atom 1: phi = -0.215453012692 TCL: Center of mass = 7.00975712809 -0.278908631347 0.101523386661 TCL: atom 1: phi = -0.216063357495 TCL: Center of mass = 7.01106851169 -0.278914329745 0.101984509661 TCL: atom 1: phi = -0.216437834358 TCL: Center of mass = 7.01236097972 -0.278894122917 0.102457639747 TCL: atom 1: phi = -0.216763171681 TCL: Center of mass = 7.0136132897 -0.278903795293 0.10297063231 TCL: atom 1: phi = -0.216940419482 TCL: Center of mass = 7.01483971251 -0.278934372177 0.10350195735 TCL: atom 1: phi = -0.21718050367 TCL: Center of mass = 7.01604301944 -0.279007120581 0.104076086366 TCL: atom 1: phi = -0.21730357106 TCL: Center of mass = 7.01724766886 -0.27909209356 0.104657041433 TCL: atom 1: phi = -0.217465194098 TCL: Center of mass = 7.01847179839 -0.279208585906 0.105251524128 TCL: atom 1: phi = -0.217474589311 TCL: Center of mass = 7.01970973927 -0.279328082035 0.105840747888 TCL: atom 1: phi = -0.217452431892 TCL: Center of mass = 7.02094497295 -0.279465166267 0.106409276854 TCL: atom 1: phi = -0.217121276513 TCL: Center of mass = 7.02221816778 -0.279586231141 0.106942567817 TCL: atom 1: phi = -0.216720365652 TCL: Center of mass = 7.02349751829 -0.279711408009 0.107431455629 TCL: atom 1: phi = -0.216061468021 TCL: Center of mass = 7.0247690862 -0.279848859534 0.10787257605 TCL: atom 1: phi = -0.215465523486 TCL: Center of mass = 7.02601589205 -0.280013398677 0.108320120048 TCL: atom 1: phi = -0.214779402749 TCL: Center of mass = 7.0272339253 -0.280166801122 0.108764577293 TCL: atom 1: phi = -0.214332991525 TCL: Center of mass = 7.02840927775 -0.280348373854 0.109208487251 TCL: atom 1: phi = -0.213982122229 TCL: Center of mass = 7.02952180873 -0.280540246577 0.109634036321 TCL: atom 1: phi = -0.214003406915 TCL: Center of mass = 7.03062723361 -0.280716312327 0.110068703969 TCL: atom 1: phi = -0.214155274618 TCL: Center of mass = 7.0317293857 -0.280878702584 0.110488287443 TCL: atom 1: phi = -0.214667432283 TCL: Center of mass = 7.03283046886 -0.281024685485 0.110879890658 TCL: atom 1: phi = -0.215175859035 TCL: Center of mass = 7.03393479254 -0.281149364492 0.111242094079 TCL: atom 1: phi = -0.215886622319 TCL: Center of mass = 7.03505144267 -0.281256853598 0.111582829842 TCL: atom 1: phi = -0.216460096763 TCL: Center of mass = 7.0361732677 -0.28134942893 0.111897041329 TCL: atom 1: phi = -0.217088682976 TCL: Center of mass = 7.03727775704 -0.281436500407 0.112186956185 TCL: atom 1: phi = -0.217610240364 TCL: Center of mass = 7.03834963389 -0.281475020474 0.112480747892 TCL: atom 1: phi = -0.218179652512 TCL: Center of mass = 7.03938844265 -0.281506673494 0.112792886259 TCL: atom 1: phi = -0.218612273151 TCL: Center of mass = 7.04038316181 -0.281537638336 0.113107245771 TCL: atom 1: phi = -0.218984050987 TCL: Center of mass = 7.04133524522 -0.281555419903 0.113430828897 TCL: atom 1: phi = -0.219094773209 TCL: Center of mass = 7.04228638253 -0.281582440113 0.113710857082 TCL: atom 1: phi = -0.219058433776 TCL: Center of mass = 7.04325681208 -0.281649672819 0.113978420857 TCL: atom 1: phi = -0.218599313459 TCL: Center of mass = 7.04424542386 -0.281739782892 0.114211974901 TCL: atom 1: phi = -0.217860381835 TCL: Center of mass = 7.04527724924 -0.281864116617 0.114419701549 TCL: atom 1: phi = -0.216640155668 TCL: Center of mass = 7.04633111853 -0.28200962349 0.114599956085 TCL: atom 1: phi = -0.215216659996 TCL: Center of mass = 7.04740056524 -0.282182213134 0.114747143554 TCL: atom 1: phi = -0.213538899164 TCL: Center of mass = 7.04845454246 -0.282362672324 0.114894037986 TCL: atom 1: phi = -0.211885865195 TCL: Center of mass = 7.0494893725 -0.282549439558 0.115029532004 TCL: atom 1: phi = -0.210124544068 TCL: Center of mass = 7.05046606783 -0.282742448674 0.115171860072 TCL: atom 1: phi = -0.208558851464 TCL: Center of mass = 7.05140245114 -0.282945015207 0.115314081972 TCL: atom 1: phi = -0.206950181079 TCL: Center of mass = 7.05230883843 -0.283157772694 0.115459027647 TCL: atom 1: phi = -0.205621682102 TCL: Center of mass = 7.05321511513 -0.283410307694 0.115603284799 TCL: atom 1: phi = -0.204288569188 TCL: Center of mass = 7.05414360683 -0.283679689812 0.115730433083 TCL: atom 1: phi = -0.203255427109 TCL: Center of mass = 7.05512753381 -0.283974033979 0.115863770949 TCL: atom 1: phi = -0.202173054519 TCL: Center of mass = 7.05615980173 -0.284276109907 0.11596298364 TCL: atom 1: phi = -0.201341145117 TCL: Center of mass = 7.05725638619 -0.284584828177 0.116045805624 TCL: atom 1: phi = -0.200451438757 TCL: Center of mass = 7.05837023445 -0.284858901537 0.116123518905 TCL: atom 1: phi = -0.199745046009 TCL: Center of mass = 7.05951640645 -0.285128469951 0.116209313435 TCL: atom 1: phi = -0.198922766332 TCL: Center of mass = 7.06063991502 -0.285352136786 0.116307228311 TCL: atom 1: phi = -0.198296041241 TCL: Center of mass = 7.06172996344 -0.285556630187 0.116425199071 TCL: atom 1: phi = -0.197461177343 TCL: Center of mass = 7.06277344996 -0.285736915447 0.116534648131 TCL: atom 1: phi = -0.196689717471 TCL: Center of mass = 7.06380717469 -0.285908188653 0.116638658949 TCL: atom 1: phi = -0.195657103903 TCL: Center of mass = 7.06482543927 -0.286092747635 0.116717019769 TCL: atom 1: phi = -0.194624461626 TCL: Center of mass = 7.06588767 -0.286323373269 0.116785807291 TCL: atom 1: phi = -0.19323469612 TCL: Center of mass = 7.06696617046 -0.286600466339 0.116805538492 TCL: atom 1: phi = -0.191822554447 TCL: Center of mass = 7.06808914329 -0.286919148158 0.116767663046 TCL: atom 1: phi = -0.190114531707 TCL: Center of mass = 7.06922809282 -0.287262160976 0.116702428176 TCL: atom 1: phi = -0.188541475472 TCL: Center of mass = 7.07039312885 -0.28761474616 0.116600002071 TCL: atom 1: phi = -0.186848333379 TCL: Center of mass = 7.07152980423 -0.287959747091 0.116468537525 TCL: atom 1: phi = -0.185505127487 TCL: Center of mass = 7.07262593535 -0.288295003738 0.116333763017 TCL: atom 1: phi = -0.184119235148 TCL: Center of mass = 7.07368096504 -0.288634177494 0.116200516511 TCL: atom 1: phi = -0.183140259172 TCL: Center of mass = 7.07469568724 -0.288988005815 0.116072710215 TCL: atom 1: phi = -0.182118233991 TCL: Center of mass = 7.0756660702 -0.289361038918 0.115974600084 TCL: atom 1: phi = -0.181500743886 TCL: Center of mass = 7.07663668093 -0.289766528028 0.115892692001 TCL: atom 1: phi = -0.180838195579 TCL: Center of mass = 7.07759827005 -0.290207831217 0.115837205739 TCL: atom 1: phi = -0.180573753897 TCL: Center of mass = 7.07857460162 -0.290699094836 0.115795236249 TCL: atom 1: phi = -0.180264969316 TCL: Center of mass = 7.0795678219 -0.291169118068 0.115769953258 TCL: atom 1: phi = -0.18032546317 TCL: Center of mass = 7.08057871151 -0.291631431708 0.115792433798 TCL: atom 1: phi = -0.180309338592 TCL: Center of mass = 7.08158859366 -0.292037036994 0.115853576021 TCL: atom 1: phi = -0.180614404953 TCL: Center of mass = 7.08261509887 -0.292392766966 0.115970870376 TCL: atom 1: phi = -0.180757770274 TCL: Center of mass = 7.08363744214 -0.292687952153 0.116116143876 TCL: atom 1: phi = -0.181058276283 TCL: Center of mass = 7.08466933995 -0.292942979167 0.116310018085 TCL: atom 1: phi = -0.181039803186 TCL: Center of mass = 7.08567961487 -0.293154316453 0.116550980026 TCL: atom 1: phi = -0.181063530894 TCL: Center of mass = 7.08669810609 -0.293395715951 0.116811431224 TCL: atom 1: phi = -0.180730878262 TCL: Center of mass = 7.08770393575 -0.293617958702 0.117088821066 TCL: atom 1: phi = -0.180414665331 TCL: Center of mass = 7.08869748156 -0.293885249032 0.117380217621 TCL: atom 1: phi = -0.179801278293 TCL: Center of mass = 7.08968014754 -0.294149955374 0.117676682003 TCL: atom 1: phi = -0.17932876647 TCL: Center of mass = 7.09069158548 -0.294442930174 0.117967084726 TCL: atom 1: phi = -0.178684147601 TCL: Center of mass = 7.09169720213 -0.294709317516 0.118233461123 TCL: atom 1: phi = -0.178399533143 TCL: Center of mass = 7.09273265049 -0.294973340833 0.118484319527 TCL: atom 1: phi = -0.178092588898 TCL: Center of mass = 7.09377193545 -0.295197012857 0.118727645954 TCL: atom 1: phi = -0.17820161215 TCL: Center of mass = 7.09482454981 -0.29540395459 0.11895087196 TCL: atom 1: phi = -0.178338832584 TCL: Center of mass = 7.0958685834 -0.295591219956 0.11916402676 TCL: atom 1: phi = -0.17894469756 TCL: Center of mass = 7.09691201466 -0.295806387125 0.11935494949 TCL: atom 1: phi = -0.179524920686 TCL: Center of mass = 7.09794505567 -0.296026537722 0.119543522092 TCL: atom 1: phi = -0.180548991834 TCL: Center of mass = 7.09897142819 -0.29628175007 0.119734198934 TCL: atom 1: phi = -0.181546711471 TCL: Center of mass = 7.09999475251 -0.296536468927 0.119922716349 TCL: atom 1: phi = -0.182902869847 TCL: Center of mass = 7.10103594195 -0.296799547362 0.120105550989 TCL: atom 1: phi = -0.184193268704 TCL: Center of mass = 7.10211145936 -0.297033791171 0.120280053987 TCL: atom 1: phi = -0.185692320098 TCL: Center of mass = 7.10324984971 -0.297260240158 0.120465889272 TCL: atom 1: phi = -0.186997774183 TCL: Center of mass = 7.1044277633 -0.297429993719 0.120656514312 TCL: atom 1: phi = -0.188289844539 WRITING COORDINATES TO DCD FILE AT STEP 5600 WRITING COORDINATES TO RESTART FILE AT STEP 5600 FINISHED WRITING RESTART COORDINATES TIMING: 5600 CPU: 298.357, 0.0533419/step Wall: 359.751, 0.062592/step, 0.250368 hours remaining, 13604 kB of memory in use. ENERGY: 5600 3377.9286 2511.3336 385.9446 37.3012 -44429.4799 3941.7281 0.0000 0.0000 9708.0731 -24467.1705 287.7868 -24322.6625 -24326.4963 289.0271 864.3572 -1470.8046 125000.0000 -1555.3168 -1555.5690 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5600 WRITING VELOCITIES TO RESTART FILE AT STEP 5600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 7.10566236932 -0.297588455493 0.120829120629 TCL: atom 1: phi = -0.189205040469 TCL: Center of mass = 7.1069454128 -0.297702648486 0.121009412512 TCL: atom 1: phi = -0.189992151622 TCL: Center of mass = 7.10824332236 -0.297802104386 0.121233787163 TCL: atom 1: phi = -0.190368802663 TCL: Center of mass = 7.10954742045 -0.297890612848 0.121495907371 TCL: atom 1: phi = -0.190488307599 TCL: Center of mass = 7.11083525723 -0.297966101453 0.121802912006 TCL: atom 1: phi = -0.190154427202 TCL: Center of mass = 7.11211017628 -0.298026978657 0.122147570363 TCL: atom 1: phi = -0.189730193336 TCL: Center of mass = 7.11336983652 -0.298121917817 0.122536401959 TCL: atom 1: phi = -0.18897166404 TCL: Center of mass = 7.11463632756 -0.298187830943 0.122971227124 TCL: atom 1: phi = -0.188261623252 TCL: Center of mass = 7.11593917138 -0.298264565303 0.123404562699 TCL: atom 1: phi = -0.187352485785 TCL: Center of mass = 7.11728601138 -0.298339872515 0.123825178661 TCL: atom 1: phi = -0.186570619706 TCL: Center of mass = 7.11867086384 -0.29843617011 0.124227704345 TCL: atom 1: phi = -0.185728892736 TCL: Center of mass = 7.12007175291 -0.298510354697 0.124574263845 TCL: atom 1: phi = -0.185120896072 TCL: Center of mass = 7.12147890931 -0.298583712593 0.124868920694 TCL: atom 1: phi = -0.184620625643 TCL: Center of mass = 7.12288059993 -0.298640770037 0.125117425402 TCL: atom 1: phi = -0.184403942341 TCL: Center of mass = 7.12423183252 -0.298705586154 0.125358537207 TCL: atom 1: phi = -0.184272095356 TCL: Center of mass = 7.12551475115 -0.298762804424 0.125585887603 TCL: atom 1: phi = -0.184387871724 TCL: Center of mass = 7.12674103508 -0.298825508393 0.125821506781 TCL: atom 1: phi = -0.184603449853 TCL: Center of mass = 7.12791905993 -0.298894127204 0.12605049369 TCL: atom 1: phi = -0.185069249917 TCL: Center of mass = 7.12908585663 -0.298979997297 0.126282709693 TCL: atom 1: phi = -0.185515638747 TCL: Center of mass = 7.13027551874 -0.299064480462 0.126479851275 TCL: atom 1: phi = -0.18612998624 TCL: Center of mass = 7.13149658332 -0.299165594498 0.126657927859 TCL: atom 1: phi = -0.186614169073 TCL: Center of mass = 7.13276624457 -0.299265866501 0.12679032371 TCL: atom 1: phi = -0.187082167319 TCL: Center of mass = 7.13407395616 -0.299405202987 0.126889361107 TCL: atom 1: phi = -0.187330302065 TCL: Center of mass = 7.13538724919 -0.299546956133 0.126964185565 TCL: atom 1: phi = -0.187529165633 TCL: Center of mass = 7.13669295872 -0.299712928627 0.127028459221 TCL: atom 1: phi = -0.187414872352 TCL: Center of mass = 7.13796418212 -0.299891127342 0.127091301035 TCL: atom 1: phi = -0.187252250572 TCL: Center of mass = 7.13919754868 -0.300073570922 0.127158105561 TCL: atom 1: phi = -0.186930955457 TCL: Center of mass = 7.1403904087 -0.300245027349 0.127238504127 TCL: atom 1: phi = -0.186663721548 TCL: Center of mass = 7.14159347482 -0.300425748462 0.127321511874 TCL: atom 1: phi = -0.186295272075 TCL: Center of mass = 7.14279837114 -0.300607645592 0.127388722958 TCL: atom 1: phi = -0.186103356499 TCL: Center of mass = 7.14406254538 -0.300808161246 0.127424896678 TCL: atom 1: phi = -0.185861849781 TCL: Center of mass = 7.14538728669 -0.301011990825 0.127416310905 TCL: atom 1: phi = -0.185778265464 TCL: Center of mass = 7.14676179687 -0.301232416209 0.127353749203 TCL: atom 1: phi = -0.185610067547 TCL: Center of mass = 7.14817837592 -0.301433727454 0.127224712878 TCL: atom 1: phi = -0.185563247857 TCL: Center of mass = 7.1496162618 -0.301630215883 0.127062011126 TCL: atom 1: phi = -0.185472845388 TCL: Center of mass = 7.15107631728 -0.30179987977 0.126866520198 TCL: atom 1: phi = -0.185558636862 TCL: Center of mass = 7.15253273089 -0.30194707826 0.126661142217 TCL: atom 1: phi = -0.185651428793 TCL: Center of mass = 7.15396348343 -0.30204560106 0.126454314141 TCL: atom 1: phi = -0.185836806596 TCL: Center of mass = 7.15537579356 -0.302147017369 0.126263316738 TCL: atom 1: phi = -0.185901369112 TCL: Center of mass = 7.1567838231 -0.302221821552 0.126050832284 TCL: atom 1: phi = -0.18599362699 TCL: Center of mass = 7.15822916568 -0.302340468913 0.125859538501 TCL: atom 1: phi = -0.185804619162 TCL: Center of mass = 7.15970353835 -0.302456872459 0.12565572153 TCL: atom 1: phi = -0.18547293758 TCL: Center of mass = 7.16121578944 -0.302606182612 0.12546165884 TCL: atom 1: phi = -0.184827745377 TCL: Center of mass = 7.1627780542 -0.302747543223 0.125274250822 TCL: atom 1: phi = -0.184013775018 TCL: Center of mass = 7.16438733933 -0.302905360849 0.125099003601 TCL: atom 1: phi = -0.182860330426 TCL: Center of mass = 7.16601635294 -0.303038502967 0.124922634174 TCL: atom 1: phi = -0.181614831193 TCL: Center of mass = 7.16765081503 -0.303162170461 0.124774641026 TCL: atom 1: phi = -0.180106913912 TCL: Center of mass = 7.1692576641 -0.303275679141 0.124673376202 TCL: atom 1: phi = -0.178623861978 TCL: Center of mass = 7.1708222938 -0.303397374814 0.124631423284 TCL: atom 1: phi = -0.177042947107 TCL: Center of mass = 7.17234674551 -0.303546749059 0.124624878887 TCL: atom 1: phi = -0.175657448659 TCL: Center of mass = 7.17384195357 -0.303745822433 0.124672454038 TCL: atom 1: phi = -0.17436138121 TCL: Center of mass = 7.17533489316 -0.303997107098 0.124728408659 TCL: atom 1: phi = -0.173352860166 TCL: Center of mass = 7.17683166245 -0.304320072484 0.124831920939 TCL: atom 1: phi = -0.172407384702 TCL: Center of mass = 7.17834236073 -0.304684586549 0.124948870164 TCL: atom 1: phi = -0.17182298495 TCL: Center of mass = 7.17989576967 -0.305083343557 0.125053173044 TCL: atom 1: phi = -0.171284798188 TCL: Center of mass = 7.18145175934 -0.305482445035 0.125146436684 TCL: atom 1: phi = -0.171189496062 TCL: Center of mass = 7.1830165267 -0.305888972454 0.125248430092 TCL: atom 1: phi = -0.171251075097 TCL: Center of mass = 7.18460845798 -0.30628793881 0.125316123678 TCL: atom 1: phi = -0.171807197609 TCL: Center of mass = 7.18620949552 -0.306692712899 0.125377878936 TCL: atom 1: phi = -0.172534831267 TCL: Center of mass = 7.18781558608 -0.307054496046 0.125402654312 TCL: atom 1: phi = -0.173653102058 TCL: Center of mass = 7.18944554843 -0.307441424076 0.125406526462 TCL: atom 1: phi = -0.174740694702 TCL: Center of mass = 7.19108563037 -0.307815012117 0.125399899799 TCL: atom 1: phi = -0.175991761256 TCL: Center of mass = 7.19273879649 -0.308230778634 0.125369558585 TCL: atom 1: phi = -0.176926343372 TCL: Center of mass = 7.19443431072 -0.308652561585 0.125326400336 TCL: atom 1: phi = -0.177831072952 TCL: Center of mass = 7.1961802919 -0.309094513211 0.125265472468 TCL: atom 1: phi = -0.178323885727 TCL: Center of mass = 7.19797376886 -0.309509348341 0.125178455632 TCL: atom 1: phi = -0.17876415383 TCL: Center of mass = 7.19979722971 -0.309917356754 0.125087482044 TCL: atom 1: phi = -0.178927075912 TCL: Center of mass = 7.20166230222 -0.310289106443 0.124958980785 TCL: atom 1: phi = -0.179147852103 TCL: Center of mass = 7.20352182272 -0.310624147656 0.124837530206 TCL: atom 1: phi = -0.179199957778 TCL: Center of mass = 7.20537385437 -0.310908840954 0.124719548063 TCL: atom 1: phi = -0.179364239554 TCL: Center of mass = 7.20718905401 -0.311167168933 0.12461701278 TCL: atom 1: phi = -0.179324947401 TCL: Center of mass = 7.20898267854 -0.311395616962 0.124526839552 TCL: atom 1: phi = -0.179352203413 TCL: Center of mass = 7.21072023348 -0.311622679274 0.124448586046 TCL: atom 1: phi = -0.17913644325 TCL: Center of mass = 7.21241176812 -0.311847437755 0.124385160575 TCL: atom 1: phi = -0.178926889317 TCL: Center of mass = 7.21405954268 -0.31208337644 0.124325282958 TCL: atom 1: phi = -0.178534109391 TCL: Center of mass = 7.21568466598 -0.312333486527 0.12427401864 TCL: atom 1: phi = -0.178248112457 TCL: Center of mass = 7.21728667062 -0.312583441981 0.124233090966 TCL: atom 1: phi = -0.177888539966 TCL: Center of mass = 7.21890639071 -0.312813322891 0.124198799996 TCL: atom 1: phi = -0.177668320216 TCL: Center of mass = 7.2205474484 -0.313040649907 0.124149252335 TCL: atom 1: phi = -0.177445181129 TCL: Center of mass = 7.22220996256 -0.313241125307 0.124063243457 TCL: atom 1: phi = -0.177464154926 TCL: Center of mass = 7.22386961147 -0.313410078633 0.123964376958 TCL: atom 1: phi = -0.177442010864 TCL: Center of mass = 7.22552108934 -0.313554882999 0.123850816187 TCL: atom 1: phi = -0.177418564352 TCL: Center of mass = 7.22718064078 -0.313682144951 0.123748715603 TCL: atom 1: phi = -0.177044535873 TCL: Center of mass = 7.2288252723 -0.313775344062 0.123656222558 TCL: atom 1: phi = -0.176512279453 TCL: Center of mass = 7.23046688068 -0.313858261493 0.123605385383 TCL: atom 1: phi = -0.175590643939 TCL: Center of mass = 7.23214456269 -0.313915437144 0.123575287859 TCL: atom 1: phi = -0.174567221893 TCL: Center of mass = 7.23387320538 -0.313962347385 0.12355657212 TCL: atom 1: phi = -0.173213352177 TCL: Center of mass = 7.23563855259 -0.313957599746 0.123532727707 TCL: atom 1: phi = -0.17186192882 TCL: Center of mass = 7.2374606436 -0.313943405516 0.123479540126 TCL: atom 1: phi = -0.170375350311 TCL: Center of mass = 7.23933036686 -0.313883247817 0.123390594408 TCL: atom 1: phi = -0.169138356093 TCL: Center of mass = 7.24123161073 -0.313824901355 0.123296174991 TCL: atom 1: phi = -0.16796245891 TCL: Center of mass = 7.24316651467 -0.313756030658 0.123170477513 TCL: atom 1: phi = -0.167077592579 TCL: Center of mass = 7.24510807921 -0.313697858534 0.123058607254 TCL: atom 1: phi = -0.1662239916 TCL: Center of mass = 7.2470073076 -0.313662989345 0.122929280109 TCL: atom 1: phi = -0.165646755536 TCL: Center of mass = 7.24886963837 -0.313656587027 0.122809780853 TCL: atom 1: phi = -0.165139200765 TCL: Center of mass = 7.25068321048 -0.313677660574 0.122699724903 TCL: atom 1: phi = -0.164906574915 TCL: Center of mass = 7.25247138095 -0.313734930645 0.122592732002 TCL: atom 1: phi = -0.164858097504 TCL: Center of mass = 7.25423796003 -0.31381886979 0.122481010358 TCL: atom 1: phi = -0.16522469174 TCL: Center of mass = 7.25601984697 -0.313962952725 0.122363479719 TCL: atom 1: phi = -0.165792741826 TCL: Center of mass = 7.25778038105 -0.314156044638 0.122194720102 TCL: atom 1: phi = -0.166818780821 WRITING COORDINATES TO DCD FILE AT STEP 5700 WRITING COORDINATES TO RESTART FILE AT STEP 5700 FINISHED WRITING RESTART COORDINATES TIMING: 5700 CPU: 303.676, 0.0531919/step Wall: 366.068, 0.0631645/step, 0.250904 hours remaining, 13604 kB of memory in use. ENERGY: 5700 3376.0146 2432.5091 372.4147 40.9636 -44514.5064 3978.9539 0.0000 0.0000 9809.8598 -24503.7908 290.8042 -24361.0792 -24358.2456 288.2765 424.3556 -1555.2510 125000.0000 -1487.4630 -1482.2408 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5700 WRITING VELOCITIES TO RESTART FILE AT STEP 5700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 7.25957247025 -0.314401371779 0.121996893516 TCL: atom 1: phi = -0.167983387922 TCL: Center of mass = 7.26138173336 -0.314677237254 0.12174202283 TCL: atom 1: phi = -0.169396682244 TCL: Center of mass = 7.26315981391 -0.314982883421 0.121445090589 TCL: atom 1: phi = -0.170759985352 TCL: Center of mass = 7.26491632089 -0.315273921451 0.121121077585 TCL: atom 1: phi = -0.17206595864 TCL: Center of mass = 7.26663640111 -0.315580107671 0.120806472428 TCL: atom 1: phi = -0.173052460087 TCL: Center of mass = 7.26832282537 -0.315873402454 0.120509519616 TCL: atom 1: phi = -0.173797329491 TCL: Center of mass = 7.26999202344 -0.316183774821 0.12023228207 TCL: atom 1: phi = -0.174179983442 TCL: Center of mass = 7.27163959769 -0.316488627703 0.119958832662 TCL: atom 1: phi = -0.174388640158 TCL: Center of mass = 7.27327657121 -0.316797648342 0.119712658787 TCL: atom 1: phi = -0.17436635551 TCL: Center of mass = 7.27492215671 -0.317089010506 0.119468676197 TCL: atom 1: phi = -0.174399274525 TCL: Center of mass = 7.2765975611 -0.317379840469 0.119198113004 TCL: atom 1: phi = -0.174278292093 TCL: Center of mass = 7.27829309399 -0.317635028018 0.118883136998 TCL: atom 1: phi = -0.174209920224 TCL: Center of mass = 7.28001703647 -0.317865593094 0.118541259085 TCL: atom 1: phi = -0.174021503138 TCL: Center of mass = 7.28171999762 -0.318071741914 0.118165983484 TCL: atom 1: phi = -0.173792421109 TCL: Center of mass = 7.28340511571 -0.318252039301 0.117793000857 TCL: atom 1: phi = -0.173396228914 TCL: Center of mass = 7.2850440324 -0.318418374528 0.117411683773 TCL: atom 1: phi = -0.172969586502 TCL: Center of mass = 7.2866579397 -0.318586544354 0.117053330762 TCL: atom 1: phi = -0.172406523932 TCL: Center of mass = 7.28822655292 -0.318748025665 0.116728927287 TCL: atom 1: phi = -0.171951183812 TCL: Center of mass = 7.28978002365 -0.318906543337 0.116432275969 TCL: atom 1: phi = -0.171512506644 TCL: Center of mass = 7.29134539291 -0.319096122073 0.116129434729 TCL: atom 1: phi = -0.171277033325 TCL: Center of mass = 7.29294673231 -0.319314644153 0.115832113326 TCL: atom 1: phi = -0.171147649612 TCL: Center of mass = 7.29459819233 -0.319550334312 0.115524456792 TCL: atom 1: phi = -0.171149858493 TCL: Center of mass = 7.29630156607 -0.319813713081 0.115209644506 TCL: atom 1: phi = -0.171093448604 TCL: Center of mass = 7.29803493721 -0.320087017687 0.114883341949 TCL: atom 1: phi = -0.171021809291 TCL: Center of mass = 7.29977577491 -0.320364177547 0.114553151187 TCL: atom 1: phi = -0.170761418047 TCL: Center of mass = 7.30152928561 -0.320642613267 0.114201898468 TCL: atom 1: phi = -0.170326909975 TCL: Center of mass = 7.30327846194 -0.32091574507 0.113855545316 TCL: atom 1: phi = -0.169595042831 TCL: Center of mass = 7.30501971814 -0.32119942426 0.113522481965 TCL: atom 1: phi = -0.168699861911 TCL: Center of mass = 7.30676313974 -0.321485556764 0.113219754856 TCL: atom 1: phi = -0.16755119751 TCL: Center of mass = 7.3084932882 -0.32176461358 0.112928401655 TCL: atom 1: phi = -0.166400774891 TCL: Center of mass = 7.31025136295 -0.322061344865 0.112654535168 TCL: atom 1: phi = -0.165097391468 TCL: Center of mass = 7.31202859679 -0.32236680487 0.11239453769 TCL: atom 1: phi = -0.163862343983 TCL: Center of mass = 7.31382965567 -0.322692831714 0.112152254945 TCL: atom 1: phi = -0.16259281302 TCL: Center of mass = 7.31565177814 -0.323026673042 0.111893309881 TCL: atom 1: phi = -0.161377489546 TCL: Center of mass = 7.31750204168 -0.323365209464 0.111634476738 TCL: atom 1: phi = -0.160003681427 TCL: Center of mass = 7.31934900222 -0.323689293473 0.111366410452 TCL: atom 1: phi = -0.158642239107 TCL: Center of mass = 7.32117290385 -0.324006099496 0.111102428661 TCL: atom 1: phi = -0.157118815439 TCL: Center of mass = 7.32298190188 -0.324304198841 0.11080277886 TCL: atom 1: phi = -0.155693608673 TCL: Center of mass = 7.32476426057 -0.324592148716 0.110508330548 TCL: atom 1: phi = -0.154328870343 TCL: Center of mass = 7.32649738055 -0.324878011401 0.110204139919 TCL: atom 1: phi = -0.153235367997 TCL: Center of mass = 7.3282181418 -0.325187716708 0.109894728167 TCL: atom 1: phi = -0.152363224833 TCL: Center of mass = 7.32992206446 -0.325539266762 0.109563223148 TCL: atom 1: phi = -0.1518217057 TCL: Center of mass = 7.33160697058 -0.325931063431 0.109248255414 TCL: atom 1: phi = -0.151435198983 TCL: Center of mass = 7.3332984288 -0.326340841456 0.108938518228 TCL: atom 1: phi = -0.15136414932 TCL: Center of mass = 7.33499186057 -0.326785973672 0.108633349893 TCL: atom 1: phi = -0.151243589309 TCL: Center of mass = 7.33669300753 -0.327228083475 0.108317714718 TCL: atom 1: phi = -0.151153492668 TCL: Center of mass = 7.33838991351 -0.327683750975 0.108018484069 TCL: atom 1: phi = -0.150799154609 TCL: Center of mass = 7.34010742853 -0.328136962955 0.107727730738 TCL: atom 1: phi = -0.150318641786 TCL: Center of mass = 7.34184010744 -0.328586727772 0.107452271504 TCL: atom 1: phi = -0.149553022498 TCL: Center of mass = 7.34356946563 -0.329036474378 0.107177618153 TCL: atom 1: phi = -0.148821275421 TCL: Center of mass = 7.34527995201 -0.329487393139 0.106901498202 TCL: atom 1: phi = -0.148041529125 TCL: Center of mass = 7.34697787256 -0.329944751848 0.106658117979 TCL: atom 1: phi = -0.147373657376 TCL: Center of mass = 7.34866408101 -0.33042393439 0.106443359071 TCL: atom 1: phi = -0.14667430011 TCL: Center of mass = 7.35036397396 -0.330897598453 0.106247667363 TCL: atom 1: phi = -0.146125584605 TCL: Center of mass = 7.35209822146 -0.331402304746 0.106088997286 TCL: atom 1: phi = -0.145499697333 TCL: Center of mass = 7.35385041219 -0.331903021452 0.105942879912 TCL: atom 1: phi = -0.144918588363 TCL: Center of mass = 7.35562984399 -0.332425285924 0.105790185709 TCL: atom 1: phi = -0.144155700612 TCL: Center of mass = 7.35744027264 -0.332927789456 0.105643866407 TCL: atom 1: phi = -0.143388706394 TCL: Center of mass = 7.35928259652 -0.333432693063 0.105484499518 TCL: atom 1: phi = -0.142539539517 TCL: Center of mass = 7.36113646156 -0.33389676372 0.105299003142 TCL: atom 1: phi = -0.141907823616 TCL: Center of mass = 7.36298469247 -0.334378523227 0.105089044413 TCL: atom 1: phi = -0.141354114841 TCL: Center of mass = 7.36481034706 -0.334870442619 0.104873416118 TCL: atom 1: phi = -0.14116477796 TCL: Center of mass = 7.36663360492 -0.335392166371 0.104668067243 TCL: atom 1: phi = -0.141187555113 TCL: Center of mass = 7.36843469858 -0.33591748861 0.104461593905 TCL: atom 1: phi = -0.141621998463 TCL: Center of mass = 7.37024060655 -0.336485398161 0.104255812191 TCL: atom 1: phi = -0.142119044677 TCL: Center of mass = 7.3720354481 -0.33709443719 0.104038747577 TCL: atom 1: phi = -0.142753733819 TCL: Center of mass = 7.37384958294 -0.337735411003 0.103833349405 TCL: atom 1: phi = -0.143290080204 TCL: Center of mass = 7.37570775044 -0.338368584608 0.103630103172 TCL: atom 1: phi = -0.143782925218 TCL: Center of mass = 7.37760006401 -0.338990714648 0.103432191226 TCL: atom 1: phi = -0.144041208396 TCL: Center of mass = 7.37949082357 -0.33957869757 0.103238035265 TCL: atom 1: phi = -0.144304654203 TCL: Center of mass = 7.3813569455 -0.340138008645 0.103052591824 TCL: atom 1: phi = -0.144444698154 TCL: Center of mass = 7.3832094772 -0.340648665139 0.102867305336 TCL: atom 1: phi = -0.144741776075 TCL: Center of mass = 7.38502457251 -0.341151583902 0.102692659485 TCL: atom 1: phi = -0.145107738141 TCL: Center of mass = 7.38681405198 -0.341617869271 0.102540770933 TCL: atom 1: phi = -0.145709689045 TCL: Center of mass = 7.38858745424 -0.342079586573 0.102415687972 TCL: atom 1: phi = -0.146345053278 TCL: Center of mass = 7.39033260542 -0.342504436302 0.102324807129 TCL: atom 1: phi = -0.147148839194 TCL: Center of mass = 7.39210867102 -0.342952775078 0.10226738781 TCL: atom 1: phi = -0.147859322416 TCL: Center of mass = 7.39392045751 -0.343360317809 0.102229207136 TCL: atom 1: phi = -0.148619509343 TCL: Center of mass = 7.39576782176 -0.343749538158 0.102221979511 TCL: atom 1: phi = -0.149269747872 TCL: Center of mass = 7.39762792597 -0.344102192219 0.102226880307 TCL: atom 1: phi = -0.150035548143 TCL: Center of mass = 7.39950722275 -0.344447638387 0.102241302089 TCL: atom 1: phi = -0.150831635264 TCL: Center of mass = 7.40139603369 -0.344749470043 0.102247483543 TCL: atom 1: phi = -0.151932872012 TCL: Center of mass = 7.40329424978 -0.345036810367 0.102254408731 TCL: atom 1: phi = -0.153240523501 TCL: Center of mass = 7.40515842601 -0.345296776589 0.102271664076 TCL: atom 1: phi = -0.154848064715 TCL: Center of mass = 7.40698548405 -0.345561287139 0.102296056821 TCL: atom 1: phi = -0.156583097044 TCL: Center of mass = 7.40880623516 -0.345824568683 0.102320363781 TCL: atom 1: phi = -0.158464436313 TCL: Center of mass = 7.41064510377 -0.346106408325 0.102352230564 TCL: atom 1: phi = -0.160176433488 TCL: Center of mass = 7.41247417785 -0.346386365526 0.102352431782 TCL: atom 1: phi = -0.161743024829 TCL: Center of mass = 7.41433858883 -0.346701054118 0.102330716677 TCL: atom 1: phi = -0.162931584209 TCL: Center of mass = 7.41621224189 -0.347035033064 0.102269898587 TCL: atom 1: phi = -0.163834801012 TCL: Center of mass = 7.41810854211 -0.347407833039 0.102178050998 TCL: atom 1: phi = -0.164344867022 TCL: Center of mass = 7.4200015636 -0.347763308332 0.102049548845 TCL: atom 1: phi = -0.164677681831 TCL: Center of mass = 7.42191459798 -0.348140629035 0.101896824832 TCL: atom 1: phi = -0.164771869988 TCL: Center of mass = 7.42380829402 -0.348501451007 0.10171086784 TCL: atom 1: phi = -0.164790807181 TCL: Center of mass = 7.42570585833 -0.348856749658 0.10150626527 TCL: atom 1: phi = -0.16462294646 TCL: Center of mass = 7.4275790071 -0.349186733264 0.101277933429 TCL: atom 1: phi = -0.164370158584 TCL: Center of mass = 7.42947184541 -0.34952954981 0.10104707431 TCL: atom 1: phi = -0.163810966982 TCL: Center of mass = 7.43138661063 -0.349835495393 0.100809234375 TCL: atom 1: phi = -0.16303602424 TCL: Center of mass = 7.43333393585 -0.350129505026 0.100578556542 TCL: atom 1: phi = -0.161842226407 TCL: Center of mass = 7.43527732781 -0.350373183563 0.10036970303 TCL: atom 1: phi = -0.160347875116 WRITING COORDINATES TO DCD FILE AT STEP 5800 WRITING COORDINATES TO RESTART FILE AT STEP 5800 FINISHED WRITING RESTART COORDINATES TIMING: 5800 CPU: 309, 0.0532419/step Wall: 372.416, 0.0634825/step, 0.250403 hours remaining, 13604 kB of memory in use. ENERGY: 5800 3378.6775 2456.8553 386.7187 36.6972 -44541.8825 4047.0191 0.0000 0.0000 9719.9352 -24515.9795 288.1384 -24371.5799 -24374.0324 288.1489 777.0838 -1255.5226 125000.0000 -1332.9934 -1333.2764 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5800 WRITING VELOCITIES TO RESTART FILE AT STEP 5800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 7.43726748702 -0.350605712751 0.100157407675 TCL: atom 1: phi = -0.15851476096 TCL: Center of mass = 7.43925373455 -0.350804636053 0.099954491026 TCL: atom 1: phi = -0.15663848722 TCL: Center of mass = 7.44125662582 -0.350986386262 0.0997802746698 TCL: atom 1: phi = -0.154733918356 TCL: Center of mass = 7.44324387661 -0.351149140364 0.099603753049 TCL: atom 1: phi = -0.153078826497 TCL: Center of mass = 7.44523339608 -0.351306362889 0.0994536867995 TCL: atom 1: phi = -0.151519724643 TCL: Center of mass = 7.44720436392 -0.35142234307 0.0993261478904 TCL: atom 1: phi = -0.150256844515 TCL: Center of mass = 7.44916784439 -0.351511634869 0.0992259191398 TCL: atom 1: phi = -0.149007791322 TCL: Center of mass = 7.45111455289 -0.351559796241 0.0991377629061 TCL: atom 1: phi = -0.147955747784 TCL: Center of mass = 7.45307658904 -0.351583125726 0.0990338820543 TCL: atom 1: phi = -0.146788109247 TCL: Center of mass = 7.45503094932 -0.351553676589 0.0988949729622 TCL: atom 1: phi = -0.145645228441 TCL: Center of mass = 7.45698498757 -0.351510069602 0.0987494487642 TCL: atom 1: phi = -0.14421363486 TCL: Center of mass = 7.458914416 -0.351427665154 0.0985885792144 TCL: atom 1: phi = -0.142863601568 TCL: Center of mass = 7.46084851002 -0.351343398175 0.0984128205061 TCL: atom 1: phi = -0.141389050682 TCL: Center of mass = 7.46276006612 -0.351243065556 0.0982128883688 TCL: atom 1: phi = -0.140192971936 TCL: Center of mass = 7.46467700352 -0.351150504347 0.0980233542772 TCL: atom 1: phi = -0.139100064782 TCL: Center of mass = 7.46658002733 -0.351044607433 0.0978159141322 TCL: atom 1: phi = -0.13839796712 TCL: Center of mass = 7.46847248576 -0.350924389607 0.0976124866008 TCL: atom 1: phi = -0.137642784631 TCL: Center of mass = 7.47036315439 -0.350761018519 0.0973828321695 TCL: atom 1: phi = -0.137099919548 TCL: Center of mass = 7.47225952062 -0.350591623652 0.0971333010394 TCL: atom 1: phi = -0.136315762438 TCL: Center of mass = 7.47415009904 -0.350401542362 0.0968609080797 TCL: atom 1: phi = -0.1356097374 TCL: Center of mass = 7.4760488747 -0.350194410486 0.0965732090112 TCL: atom 1: phi = -0.134672176748 TCL: Center of mass = 7.47792548092 -0.349987592827 0.0962909451007 TCL: atom 1: phi = -0.133928043542 TCL: Center of mass = 7.47978751618 -0.349814560966 0.0960388019923 TCL: atom 1: phi = -0.133215129764 TCL: Center of mass = 7.48162216775 -0.349664230183 0.0958021422867 TCL: atom 1: phi = -0.132948653878 TCL: Center of mass = 7.48344519033 -0.349562241735 0.0956024059185 TCL: atom 1: phi = -0.132878134115 TCL: Center of mass = 7.48523851235 -0.349494107472 0.0954247720867 TCL: atom 1: phi = -0.133284613054 TCL: Center of mass = 7.48703968139 -0.349447600818 0.0952689342907 TCL: atom 1: phi = -0.133821125221 TCL: Center of mass = 7.48882719725 -0.349424220402 0.0951237387734 TCL: atom 1: phi = -0.134681635792 TCL: Center of mass = 7.49059694964 -0.349437364094 0.0949857777802 TCL: atom 1: phi = -0.135482861517 TCL: Center of mass = 7.49233985554 -0.349476201565 0.0948400123487 TCL: atom 1: phi = -0.136426208488 TCL: Center of mass = 7.49407508616 -0.349537580455 0.0946977180732 TCL: atom 1: phi = -0.137142192665 TCL: Center of mass = 7.4957613518 -0.349625862726 0.0945507705461 TCL: atom 1: phi = -0.137940963085 TCL: Center of mass = 7.49742593804 -0.349767148146 0.0944178821719 TCL: atom 1: phi = -0.138570636472 TCL: Center of mass = 7.49906042668 -0.349948752751 0.09426631772 TCL: atom 1: phi = -0.139420061758 TCL: Center of mass = 7.50069665214 -0.350170952123 0.0941051366275 TCL: atom 1: phi = -0.140254283082 TCL: Center of mass = 7.50232622978 -0.350422518325 0.0939420395048 TCL: atom 1: phi = -0.14138828249 TCL: Center of mass = 7.50397274944 -0.350688866013 0.0937725696497 TCL: atom 1: phi = -0.142517672132 TCL: Center of mass = 7.50564556017 -0.350946615657 0.0935859876471 TCL: atom 1: phi = -0.143762602765 TCL: Center of mass = 7.50733418125 -0.351193983494 0.093401349589 TCL: atom 1: phi = -0.144752189378 TCL: Center of mass = 7.50899939375 -0.351402714401 0.0932087260397 TCL: atom 1: phi = -0.145607571031 TCL: Center of mass = 7.51062938031 -0.351608041457 0.0929860665369 TCL: atom 1: phi = -0.146046975149 TCL: Center of mass = 7.51224143415 -0.351786257217 0.0927527721539 TCL: atom 1: phi = -0.146375644371 TCL: Center of mass = 7.51382161468 -0.351973870911 0.0925143680293 TCL: atom 1: phi = -0.146443504709 TCL: Center of mass = 7.51537006098 -0.352157027725 0.0922789074371 TCL: atom 1: phi = -0.14655568492 TCL: Center of mass = 7.51691334712 -0.35235086702 0.0920551435375 TCL: atom 1: phi = -0.146540662154 TCL: Center of mass = 7.51846167196 -0.352541152891 0.0918475167283 TCL: atom 1: phi = -0.146765300404 TCL: Center of mass = 7.52002196471 -0.352719705015 0.0916515424422 TCL: atom 1: phi = -0.147003868751 TCL: Center of mass = 7.52156560728 -0.352880418125 0.0914388251256 TCL: atom 1: phi = -0.14748543651 TCL: Center of mass = 7.52312292304 -0.353035620644 0.0911800588826 TCL: atom 1: phi = -0.147905716163 TCL: Center of mass = 7.5246544542 -0.353142134129 0.0909038474062 TCL: atom 1: phi = -0.148428101873 TCL: Center of mass = 7.52615653012 -0.353247571421 0.0905967593559 TCL: atom 1: phi = -0.14868549205 TCL: Center of mass = 7.52760693943 -0.353334352593 0.0902559754461 TCL: atom 1: phi = -0.148873817089 TCL: Center of mass = 7.52904070987 -0.353430607249 0.0899125799773 TCL: atom 1: phi = -0.148873038775 TCL: Center of mass = 7.53044731963 -0.353541050676 0.0895804542944 TCL: atom 1: phi = -0.14896579594 TCL: Center of mass = 7.53187004116 -0.353679244187 0.089276913434 TCL: atom 1: phi = -0.149108118999 TCL: Center of mass = 7.53330785245 -0.353829387419 0.0889956538146 TCL: atom 1: phi = -0.149508873358 TCL: Center of mass = 7.53479439943 -0.354003530454 0.0887404202919 TCL: atom 1: phi = -0.150016119713 TCL: Center of mass = 7.53631565024 -0.354186614199 0.0884859318745 TCL: atom 1: phi = -0.150689235351 TCL: Center of mass = 7.53786122196 -0.354405954025 0.0882428754827 TCL: atom 1: phi = -0.151326312177 TCL: Center of mass = 7.53944098212 -0.354584056621 0.087978722347 TCL: atom 1: phi = -0.151986341885 TCL: Center of mass = 7.54104235156 -0.354734849896 0.0877179962627 TCL: atom 1: phi = -0.15237062347 TCL: Center of mass = 7.54264816417 -0.354835382878 0.0874622198455 TCL: atom 1: phi = -0.152604033602 TCL: Center of mass = 7.54425187175 -0.354923840646 0.0872575449988 TCL: atom 1: phi = -0.152598467478 TCL: Center of mass = 7.54585015275 -0.354979293354 0.0871204285021 TCL: atom 1: phi = -0.152604160824 TCL: Center of mass = 7.54744298121 -0.35504184747 0.0870460422113 TCL: atom 1: phi = -0.152583907664 TCL: Center of mass = 7.54901408375 -0.355080140873 0.0870013687073 TCL: atom 1: phi = -0.152800297593 TCL: Center of mass = 7.55060909717 -0.355146993028 0.0870188412196 TCL: atom 1: phi = -0.153131970714 TCL: Center of mass = 7.55218662259 -0.355220881003 0.0870620971025 TCL: atom 1: phi = -0.153817553861 TCL: Center of mass = 7.55375062479 -0.355297886138 0.0871159190598 TCL: atom 1: phi = -0.154587522906 TCL: Center of mass = 7.55529452943 -0.355368096325 0.0872021202914 TCL: atom 1: phi = -0.155541428391 TCL: Center of mass = 7.5568336095 -0.355441145531 0.0872922217537 TCL: atom 1: phi = -0.156374514305 TCL: Center of mass = 7.55834275604 -0.355497768317 0.0873773757932 TCL: atom 1: phi = -0.157236645742 TCL: Center of mass = 7.55982518499 -0.355572269792 0.0874345642566 TCL: atom 1: phi = -0.157880775097 TCL: Center of mass = 7.56128350708 -0.355632879894 0.0874773120724 TCL: atom 1: phi = -0.158510258622 TCL: Center of mass = 7.56272647998 -0.355694470079 0.0875010176763 TCL: atom 1: phi = -0.158991291681 TCL: Center of mass = 7.56414331687 -0.355741485845 0.0875062867975 TCL: atom 1: phi = -0.159575662798 TCL: Center of mass = 7.56553728346 -0.355814022206 0.0875043674129 TCL: atom 1: phi = -0.160056189518 TCL: Center of mass = 7.56690273744 -0.35591023872 0.0874842168724 TCL: atom 1: phi = -0.160730155087 TCL: Center of mass = 7.56827182678 -0.356042523877 0.0874657268108 TCL: atom 1: phi = -0.161311676705 TCL: Center of mass = 7.56964080258 -0.356160817977 0.0874342702783 TCL: atom 1: phi = -0.161849813523 TCL: Center of mass = 7.57101295489 -0.356287157573 0.0873823435768 TCL: atom 1: phi = -0.1621634678 TCL: Center of mass = 7.57239754043 -0.356392475123 0.0873097078733 TCL: atom 1: phi = -0.16229913647 TCL: Center of mass = 7.5738099844 -0.356496090598 0.087224374269 TCL: atom 1: phi = -0.16202284797 TCL: Center of mass = 7.57523104985 -0.356539173125 0.0871225719084 TCL: atom 1: phi = -0.161556128377 TCL: Center of mass = 7.57666203904 -0.356544480637 0.0870338818442 TCL: atom 1: phi = -0.160792858927 TCL: Center of mass = 7.57810813086 -0.356475458287 0.0869492613483 TCL: atom 1: phi = -0.160038400471 TCL: Center of mass = 7.57956953622 -0.356359820029 0.0868889931972 TCL: atom 1: phi = -0.159229579213 TCL: Center of mass = 7.58101384796 -0.356187557056 0.0868204805668 TCL: atom 1: phi = -0.158603185237 TCL: Center of mass = 7.5824767016 -0.355984550913 0.0867685583313 TCL: atom 1: phi = -0.158042591493 TCL: Center of mass = 7.58394370981 -0.355747892911 0.086712809052 TCL: atom 1: phi = -0.157669539821 TCL: Center of mass = 7.58541721387 -0.355519112704 0.0866472946781 TCL: atom 1: phi = -0.1572536069 TCL: Center of mass = 7.58688363657 -0.355267708513 0.0865997364841 TCL: atom 1: phi = -0.156943141347 TCL: Center of mass = 7.5883692877 -0.355021819845 0.0865767314299 TCL: atom 1: phi = -0.156472202968 TCL: Center of mass = 7.58986831156 -0.354764266117 0.0865414875479 TCL: atom 1: phi = -0.155955037709 TCL: Center of mass = 7.59136857379 -0.35450772292 0.0865195217792 TCL: atom 1: phi = -0.155316305047 TCL: Center of mass = 7.59287744534 -0.354245449108 0.0864648740369 TCL: atom 1: phi = -0.154744298942 TCL: Center of mass = 7.59437623181 -0.353995195508 0.0864116265362 TCL: atom 1: phi = -0.154160418667 TCL: Center of mass = 7.59586745453 -0.353737762811 0.0863247870251 TCL: atom 1: phi = -0.153735714763 TCL: Center of mass = 7.59736463689 -0.35349891812 0.0861996584918 TCL: atom 1: phi = -0.153423405412 TCL: Center of mass = 7.5988756131 -0.353279226258 0.0860207067334 TCL: atom 1: phi = -0.153292353441 WRITING COORDINATES TO DCD FILE AT STEP 5900 WRITING COORDINATES TO RESTART FILE AT STEP 5900 FINISHED WRITING RESTART COORDINATES TIMING: 5900 CPU: 314.329, 0.0532919/step Wall: 378.726, 0.0630997/step, 0.24714 hours remaining, 13604 kB of memory in use. ENERGY: 5900 3368.6758 2436.2545 375.2375 38.0283 -44655.1253 4138.4617 0.0000 0.0000 9760.9385 -24537.5289 289.3539 -24393.7675 -24392.8823 288.1413 1038.1152 -1102.3822 125000.0000 -1201.2647 -1202.5631 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5900 WRITING VELOCITIES TO RESTART FILE AT STEP 5900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 7.60038453215 -0.353132634171 0.0857964934148 TCL: atom 1: phi = -0.153194448755 TCL: Center of mass = 7.60189514251 -0.353030030839 0.0855172065854 TCL: atom 1: phi = -0.153191553509 TCL: Center of mass = 7.60342635733 -0.352992611062 0.0852283388675 TCL: atom 1: phi = -0.153056850725 TCL: Center of mass = 7.60496108413 -0.352991175473 0.0849269819177 TCL: atom 1: phi = -0.152962707814 TCL: Center of mass = 7.606526677 -0.353020965577 0.0846055640623 TCL: atom 1: phi = -0.152766277429 TCL: Center of mass = 7.60812382514 -0.353034298771 0.0842518249075 TCL: atom 1: phi = -0.152711507185 TCL: Center of mass = 7.60975587012 -0.353053069796 0.0839066897573 TCL: atom 1: phi = -0.152646997362 TCL: Center of mass = 7.61140131883 -0.353029830999 0.0835392633671 TCL: atom 1: phi = -0.152844890347 TCL: Center of mass = 7.61305414139 -0.352978554703 0.0831703425808 TCL: atom 1: phi = -0.153145303107 TCL: Center of mass = 7.61470148847 -0.352854437095 0.0827959504031 TCL: atom 1: phi = -0.153748802121 TCL: Center of mass = 7.61633044193 -0.352707114019 0.0824608129425 TCL: atom 1: phi = -0.154460875546 TCL: Center of mass = 7.61793255664 -0.352561622857 0.0821317195326 TCL: atom 1: phi = -0.155306945936 TCL: Center of mass = 7.61953227861 -0.352445736386 0.081822768963 TCL: atom 1: phi = -0.156059971727 TCL: Center of mass = 7.62112042156 -0.352344879819 0.0815396912764 TCL: atom 1: phi = -0.15680398383 TCL: Center of mass = 7.6227034354 -0.352277717513 0.0812788132145 TCL: atom 1: phi = -0.157319148065 TCL: Center of mass = 7.62426753342 -0.352209622316 0.0810134390674 TCL: atom 1: phi = -0.157658787332 TCL: Center of mass = 7.62583226095 -0.35215452346 0.0807743278748 TCL: atom 1: phi = -0.157693605493 TCL: Center of mass = 7.62734765013 -0.352081259366 0.080540328082 TCL: atom 1: phi = -0.157575389761 TCL: Center of mass = 7.62882847242 -0.351985360412 0.0802965665896 TCL: atom 1: phi = -0.157187987639 TCL: Center of mass = 7.63025538143 -0.351887032586 0.0800192556835 TCL: atom 1: phi = -0.156682508498 TCL: Center of mass = 7.63165464415 -0.351780183665 0.0797370181506 TCL: atom 1: phi = -0.155882413827 TCL: Center of mass = 7.63303930232 -0.351700880782 0.0794127786419 TCL: atom 1: phi = -0.154848566353 TCL: Center of mass = 7.6344248117 -0.351668856812 0.079089084854 TCL: atom 1: phi = -0.153344168873 TCL: Center of mass = 7.63578802766 -0.351701100619 0.0787056888665 TCL: atom 1: phi = -0.151513437788 TCL: Center of mass = 7.63717681622 -0.351796272684 0.0783129940268 TCL: atom 1: phi = -0.149237458288 TCL: Center of mass = 7.63857433095 -0.351929929898 0.0778615005164 TCL: atom 1: phi = -0.146775848575 TCL: Center of mass = 7.63996743564 -0.352095362979 0.0773737652818 TCL: atom 1: phi = -0.144102863343 TCL: Center of mass = 7.64135648556 -0.352259736447 0.0768170145028 TCL: atom 1: phi = -0.141514361305 TCL: Center of mass = 7.64273005644 -0.35242073552 0.0762320990151 TCL: atom 1: phi = -0.13896497572 TCL: Center of mass = 7.64408321792 -0.352564462283 0.0756017395327 TCL: atom 1: phi = -0.136723007552 TCL: Center of mass = 7.64541509548 -0.352661595064 0.0749716817452 TCL: atom 1: phi = -0.134669924626 TCL: Center of mass = 7.64674721159 -0.352714021997 0.0743336124416 TCL: atom 1: phi = -0.132994434847 TCL: Center of mass = 7.64808811402 -0.352780417133 0.07369668302 TCL: atom 1: phi = -0.131501626963 TCL: Center of mass = 7.64947321198 -0.352864726593 0.0730577213294 TCL: atom 1: phi = -0.130323043186 TCL: Center of mass = 7.65088291035 -0.352975132591 0.0724382206182 TCL: atom 1: phi = -0.129159877281 TCL: Center of mass = 7.65233588016 -0.353117762267 0.0718379490582 TCL: atom 1: phi = -0.128263453829 TCL: Center of mass = 7.65382663661 -0.353289648493 0.071249580967 TCL: atom 1: phi = -0.127447753679 TCL: Center of mass = 7.65533199836 -0.353481513519 0.0706478791765 TCL: atom 1: phi = -0.126862579668 TCL: Center of mass = 7.65685590442 -0.353684513432 0.0700512775107 TCL: atom 1: phi = -0.126303566468 TCL: Center of mass = 7.65835043864 -0.35389603893 0.0694304418108 TCL: atom 1: phi = -0.126038971618 TCL: Center of mass = 7.65981754827 -0.354104356455 0.068811318744 TCL: atom 1: phi = -0.12577902009 TCL: Center of mass = 7.66126168649 -0.354309449426 0.0681824466552 TCL: atom 1: phi = -0.125685919092 TCL: Center of mass = 7.66269172508 -0.354525451286 0.0675636203079 TCL: atom 1: phi = -0.125499446707 TCL: Center of mass = 7.66410188376 -0.354748964117 0.0669554768016 TCL: atom 1: phi = -0.125329246572 TCL: Center of mass = 7.66554020772 -0.355012200522 0.0663746834378 TCL: atom 1: phi = -0.124927209299 TCL: Center of mass = 7.66697850834 -0.355319830065 0.065777989424 TCL: atom 1: phi = -0.124601067269 TCL: Center of mass = 7.66842602889 -0.355654128196 0.0651967430887 TCL: atom 1: phi = -0.12416012508 TCL: Center of mass = 7.66987517973 -0.356005290533 0.0646270813353 TCL: atom 1: phi = -0.123843664856 TCL: Center of mass = 7.67131308423 -0.35637167248 0.064032360931 TCL: atom 1: phi = -0.123536493318 TCL: Center of mass = 7.67274558501 -0.35670358716 0.0634241122512 TCL: atom 1: phi = -0.123483869776 TCL: Center of mass = 7.6741477329 -0.356999730428 0.0628185675182 TCL: atom 1: phi = -0.123610591909 TCL: Center of mass = 7.6755030044 -0.357240426553 0.0622287879433 TCL: atom 1: phi = -0.124091208576 TCL: Center of mass = 7.67687515896 -0.357429388739 0.0616556899871 TCL: atom 1: phi = -0.124763198652 TCL: Center of mass = 7.67825249427 -0.357570163096 0.0610915100337 TCL: atom 1: phi = -0.125703814901 TCL: Center of mass = 7.67964665107 -0.35768653949 0.0605411833982 TCL: atom 1: phi = -0.126662526125 TCL: Center of mass = 7.68104756348 -0.35778191183 0.0600078844297 TCL: atom 1: phi = -0.127682887831 TCL: Center of mass = 7.68247164702 -0.357849084024 0.0595119425087 TCL: atom 1: phi = -0.128572475363 TCL: Center of mass = 7.68393555624 -0.35792264858 0.0590339664125 TCL: atom 1: phi = -0.129461952998 TCL: Center of mass = 7.68540025706 -0.358009851308 0.058590811137 TCL: atom 1: phi = -0.130197791831 TCL: Center of mass = 7.68688243035 -0.358086532055 0.0581486063831 TCL: atom 1: phi = -0.130870855289 TCL: Center of mass = 7.68837243697 -0.358164027599 0.0577030572882 TCL: atom 1: phi = -0.131343473165 TCL: Center of mass = 7.68987790579 -0.358253442248 0.0572548877795 TCL: atom 1: phi = -0.131681135977 TCL: Center of mass = 7.69139085493 -0.358344848545 0.0568095088996 TCL: atom 1: phi = -0.131717832612 TCL: Center of mass = 7.69289945906 -0.358439018109 0.0563573396453 TCL: atom 1: phi = -0.131499150372 TCL: Center of mass = 7.6944234901 -0.358554720407 0.0559066946165 TCL: atom 1: phi = -0.130880826164 TCL: Center of mass = 7.69593942883 -0.358683389233 0.0554478845949 TCL: atom 1: phi = -0.12996857112 TCL: Center of mass = 7.69745533813 -0.358877992368 0.0550050506583 TCL: atom 1: phi = -0.128690836188 TCL: Center of mass = 7.69896876427 -0.359127147721 0.0545565200437 TCL: atom 1: phi = -0.127221170291 TCL: Center of mass = 7.70048392117 -0.359424686203 0.0541165494563 TCL: atom 1: phi = -0.125574251901 TCL: Center of mass = 7.70201092853 -0.359778399774 0.0536714479142 TCL: atom 1: phi = -0.123945560628 TCL: Center of mass = 7.70353871418 -0.360185857302 0.0532389229902 TCL: atom 1: phi = -0.122373640757 TCL: Center of mass = 7.70507115588 -0.360601877259 0.0528013841008 TCL: atom 1: phi = -0.121041529133 TCL: Center of mass = 7.70660532079 -0.361022551546 0.0523677083783 TCL: atom 1: phi = -0.119839573848 TCL: Center of mass = 7.70813713828 -0.361436381577 0.0519089638406 TCL: atom 1: phi = -0.118944253223 TCL: Center of mass = 7.70968788444 -0.361836454336 0.0514559037139 TCL: atom 1: phi = -0.118247020947 TCL: Center of mass = 7.7112200555 -0.362199938034 0.0509858399735 TCL: atom 1: phi = -0.117778292059 TCL: Center of mass = 7.71276108384 -0.362524375901 0.0505240288059 TCL: atom 1: phi = -0.117414700622 TCL: Center of mass = 7.71430229169 -0.362818414661 0.0500720645861 TCL: atom 1: phi = -0.117270967477 TCL: Center of mass = 7.7158504701 -0.3631148801 0.049670233522 TCL: atom 1: phi = -0.117171910268 TCL: Center of mass = 7.71741548351 -0.363433339979 0.0492909254085 TCL: atom 1: phi = -0.117267131639 TCL: Center of mass = 7.71901424156 -0.363769255686 0.0489564289827 TCL: atom 1: phi = -0.117436700672 TCL: Center of mass = 7.72063346138 -0.3641410983 0.0486577071472 TCL: atom 1: phi = -0.117746886514 TCL: Center of mass = 7.72228923401 -0.364548687842 0.0483890217918 TCL: atom 1: phi = -0.117951610853 TCL: Center of mass = 7.72395582616 -0.364972834079 0.0481184645041 TCL: atom 1: phi = -0.118187891407 TCL: Center of mass = 7.72562956305 -0.365407350359 0.0478529888765 TCL: atom 1: phi = -0.118256052414 TCL: Center of mass = 7.72730801017 -0.365844403713 0.047591105232 TCL: atom 1: phi = -0.118226281701 TCL: Center of mass = 7.72895937723 -0.366292422028 0.0473397631907 TCL: atom 1: phi = -0.11789654756 TCL: Center of mass = 7.73057132159 -0.366749893095 0.0470843725402 TCL: atom 1: phi = -0.11743716888 TCL: Center of mass = 7.73218003223 -0.367223103603 0.0468422950015 TCL: atom 1: phi = -0.116710131616 TCL: Center of mass = 7.73374730581 -0.367734259611 0.0465990786128 TCL: atom 1: phi = -0.116043090938 TCL: Center of mass = 7.73530130059 -0.368311105119 0.0463831392035 TCL: atom 1: phi = -0.115309944921 TCL: Center of mass = 7.73683887732 -0.368932953271 0.046178972447 TCL: atom 1: phi = -0.114758450233 TCL: Center of mass = 7.73837405773 -0.369614159234 0.0460024830848 TCL: atom 1: phi = -0.114206205229 TCL: Center of mass = 7.73989288296 -0.370334666439 0.0458430122379 TCL: atom 1: phi = -0.113917293957 TCL: Center of mass = 7.74142520013 -0.371094827357 0.0456964598879 TCL: atom 1: phi = -0.113625320723 TCL: Center of mass = 7.74291830528 -0.37185151962 0.0455473480957 TCL: atom 1: phi = -0.113494529406 TCL: Center of mass = 7.7444127771 -0.372603080419 0.0453957793592 TCL: atom 1: phi = -0.113337412822 TCL: Center of mass = 7.74588038646 -0.373305718151 0.045251545993 TCL: atom 1: phi = -0.113356843292 TCL: Center of mass = 7.74734437456 -0.374004906091 0.0451165872303 TCL: atom 1: phi = -0.11332668976 TCL: Center of mass = 7.74881834613 -0.374654411054 0.0449805887657 TCL: atom 1: phi = -0.113431697073 WRITING COORDINATES TO DCD FILE AT STEP 6000 WRITING COORDINATES TO RESTART FILE AT STEP 6000 FINISHED WRITING RESTART COORDINATES TIMING: 6000 CPU: 319.673, 0.0534419/step Wall: 385.07, 0.0634461/step, 0.246735 hours remaining, 13604 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 6000 3386.6375 2511.6464 367.7070 35.1898 -44548.5844 4011.5983 0.0000 0.0000 9708.5821 -24527.2233 287.8019 -24384.0933 -24380.4617 288.3238 608.7206 -1467.6309 125000.0000 -1338.6118 -1343.7864 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6000 WRITING VELOCITIES TO RESTART FILE AT STEP 6000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 7.75028872941 -0.375321401331 0.0448718324963 TCL: atom 1: phi = -0.113466361039 TCL: Center of mass = 7.75175248704 -0.37598145045 0.0447927014936 TCL: atom 1: phi = -0.113650442262 TCL: Center of mass = 7.75325606319 -0.376665622488 0.0447466800571 TCL: atom 1: phi = -0.113769974415 TCL: Center of mass = 7.7547927731 -0.377350072217 0.0447227004568 TCL: atom 1: phi = -0.113965211124 TCL: Center of mass = 7.75637310415 -0.37805125565 0.044709802525 TCL: atom 1: phi = -0.113938185286 TCL: Center of mass = 7.75797391855 -0.378704469354 0.0446916417929 TCL: atom 1: phi = -0.113767658236 TCL: Center of mass = 7.75959031417 -0.379335614592 0.0446529176725 TCL: atom 1: phi = -0.113249876336 TCL: Center of mass = 7.76121167009 -0.379906669302 0.0445551549353 TCL: atom 1: phi = -0.112610963542 TCL: Center of mass = 7.76285437488 -0.380449488026 0.0444138228732 TCL: atom 1: phi = -0.111685487856 TCL: Center of mass = 7.76449733312 -0.380950142656 0.0442432572608 TCL: atom 1: phi = -0.110737835567 TCL: Center of mass = 7.76613848188 -0.381451890718 0.0440562382029 TCL: atom 1: phi = -0.109603122012 TCL: Center of mass = 7.76779439822 -0.381980949059 0.0438826670039 TCL: atom 1: phi = -0.108659330814 TCL: Center of mass = 7.76946727585 -0.382537674612 0.0437360834252 TCL: atom 1: phi = -0.107800245903 TCL: Center of mass = 7.77115217794 -0.383100379707 0.0435859384093 TCL: atom 1: phi = -0.107219294658 TCL: Center of mass = 7.77284413984 -0.383688305792 0.0434364081472 TCL: atom 1: phi = -0.106720942195 TCL: Center of mass = 7.77453584962 -0.384291066298 0.043277642834 TCL: atom 1: phi = -0.106605454463 TCL: Center of mass = 7.77618858321 -0.384911986529 0.0431062653718 TCL: atom 1: phi = -0.106562660747 TCL: Center of mass = 7.77782791797 -0.385495182666 0.0428949463348 TCL: atom 1: phi = -0.106932365447 TCL: Center of mass = 7.77945742812 -0.38605832204 0.0426625222001 TCL: atom 1: phi = -0.107473933426 TCL: Center of mass = 7.78107344542 -0.38657394037 0.0423883813355 TCL: atom 1: phi = -0.108412696083 TCL: Center of mass = 7.78269313042 -0.387089286419 0.0420950032094 TCL: atom 1: phi = -0.109509888627 TCL: Center of mass = 7.78432264855 -0.387580115123 0.0417858730219 TCL: atom 1: phi = -0.110984141306 TCL: Center of mass = 7.78597141916 -0.388089647481 0.0414672691171 TCL: atom 1: phi = -0.112506619343 TCL: Center of mass = 7.78762033117 -0.388613419913 0.0411538647469 TCL: atom 1: phi = -0.114270994583 TCL: Center of mass = 7.78928366447 -0.389174135442 0.0408459373034 TCL: atom 1: phi = -0.115976946728 TCL: Center of mass = 7.79096030863 -0.389742115817 0.0405450528076 TCL: atom 1: phi = -0.117680334869 TCL: Center of mass = 7.79265766359 -0.390356061944 0.0402558147132 TCL: atom 1: phi = -0.119058864259 TCL: Center of mass = 7.79435317894 -0.390968031941 0.0399600296772 TCL: atom 1: phi = -0.120231293817 TCL: Center of mass = 7.79607114332 -0.391591158465 0.0396527780553 TCL: atom 1: phi = -0.121037730799 TCL: Center of mass = 7.79777889357 -0.392188481939 0.039306609707 TCL: atom 1: phi = -0.121639736103 TCL: Center of mass = 7.7995035301 -0.392775011251 0.038943368611 TCL: atom 1: phi = -0.121966746194 TCL: Center of mass = 7.8012095926 -0.393318974628 0.0385537227988 TCL: atom 1: phi = -0.122257954101 TCL: Center of mass = 7.80292393905 -0.393833705767 0.0381714091422 TCL: atom 1: phi = -0.122361255947 TCL: Center of mass = 7.80463707482 -0.3942940268 0.0377942871811 TCL: atom 1: phi = -0.122418982231 TCL: Center of mass = 7.80637295855 -0.394748017218 0.0374218481527 TCL: atom 1: phi = -0.122259791775 TCL: Center of mass = 7.8080714611 -0.39519587267 0.0370276122905 TCL: atom 1: phi = -0.122071774365 TCL: Center of mass = 7.80976976969 -0.395621933697 0.0366398878162 TCL: atom 1: phi = -0.121741382655 TCL: Center of mass = 7.81142326806 -0.396027197609 0.0362612084523 TCL: atom 1: phi = -0.121499425776 TCL: Center of mass = 7.81305583242 -0.396437409623 0.0358979557895 TCL: atom 1: phi = -0.121192089228 TCL: Center of mass = 7.81462951099 -0.396811522398 0.0355121010166 TCL: atom 1: phi = -0.12101092694 TCL: Center of mass = 7.81617934606 -0.397165587922 0.0351226043539 TCL: atom 1: phi = -0.120861640806 TCL: Center of mass = 7.81770842606 -0.397466782863 0.0346882047474 TCL: atom 1: phi = -0.120925605945 TCL: Center of mass = 7.81923486648 -0.39773351208 0.0342385369764 TCL: atom 1: phi = -0.120987403036 TCL: Center of mass = 7.82072618834 -0.397902499502 0.0337640099321 TCL: atom 1: phi = -0.121208489568 TCL: Center of mass = 7.82221579652 -0.398034514133 0.0332756514531 TCL: atom 1: phi = -0.12128989855 TCL: Center of mass = 7.82370185319 -0.398116796319 0.0327828997656 TCL: atom 1: phi = -0.121256661627 TCL: Center of mass = 7.82518342574 -0.398186662521 0.032291683964 TCL: atom 1: phi = -0.120934852086 TCL: Center of mass = 7.82666776926 -0.398261636502 0.0317999324124 TCL: atom 1: phi = -0.120541256015 TCL: Center of mass = 7.82816731566 -0.39838929545 0.0313111131194 TCL: atom 1: phi = -0.119916780688 TCL: Center of mass = 7.82965173139 -0.398532136691 0.0308269282892 TCL: atom 1: phi = -0.119246341331 TCL: Center of mass = 7.83116161012 -0.39871198936 0.030364257729 TCL: atom 1: phi = -0.118447466117 TCL: Center of mass = 7.83269098666 -0.398909323236 0.029888685255 TCL: atom 1: phi = -0.117684143973 TCL: Center of mass = 7.83425857923 -0.399141922763 0.0294041595379 TCL: atom 1: phi = -0.116963815254 TCL: Center of mass = 7.83582587301 -0.399377794281 0.0289121663123 TCL: atom 1: phi = -0.116363213014 TCL: Center of mass = 7.83741243656 -0.399612096451 0.0284179832469 TCL: atom 1: phi = -0.11573698512 TCL: Center of mass = 7.83899864613 -0.3998195084 0.0279129318103 TCL: atom 1: phi = -0.115328206303 TCL: Center of mass = 7.84058009727 -0.40001964858 0.0274425002268 TCL: atom 1: phi = -0.114899537332 TCL: Center of mass = 7.84216318442 -0.400234989355 0.0269921484911 TCL: atom 1: phi = -0.114650098672 TCL: Center of mass = 7.84376179677 -0.400497797767 0.0265858818486 TCL: atom 1: phi = -0.114528682146 TCL: Center of mass = 7.84534707538 -0.400794183786 0.0261833421572 TCL: atom 1: phi = -0.114637553212 TCL: Center of mass = 7.84694440304 -0.401137233747 0.0258196975361 TCL: atom 1: phi = -0.11491264704 TCL: Center of mass = 7.84855361925 -0.401506480637 0.0254346698468 TCL: atom 1: phi = -0.115525419456 TCL: Center of mass = 7.85019292352 -0.40187144045 0.0250447865751 TCL: atom 1: phi = -0.116352310718 TCL: Center of mass = 7.85183096 -0.402199858767 0.0246139870356 TCL: atom 1: phi = -0.117419935959 TCL: Center of mass = 7.85350555478 -0.402514683556 0.0241631780738 TCL: atom 1: phi = -0.118587236921 TCL: Center of mass = 7.85516716564 -0.402777053363 0.0236886482556 TCL: atom 1: phi = -0.119872174109 TCL: Center of mass = 7.8568448085 -0.403031020811 0.0232117392916 TCL: atom 1: phi = -0.120988031421 TCL: Center of mass = 7.85848808984 -0.403273201054 0.0227350902663 TCL: atom 1: phi = -0.121968976085 TCL: Center of mass = 7.86014176205 -0.403551859029 0.0222882013512 TCL: atom 1: phi = -0.122639341638 TCL: Center of mass = 7.8617821278 -0.403854104316 0.0218634452385 TCL: atom 1: phi = -0.123152210492 TCL: Center of mass = 7.86343811786 -0.40423146238 0.02147012629 TCL: atom 1: phi = -0.123416555761 TCL: Center of mass = 7.86509554355 -0.404652516767 0.0210792657692 TCL: atom 1: phi = -0.123674289889 TCL: Center of mass = 7.8667798444 -0.4051382804 0.0206882339006 TCL: atom 1: phi = -0.123863280634 TCL: Center of mass = 7.8684740396 -0.405645774537 0.0202854742795 TCL: atom 1: phi = -0.124161433492 TCL: Center of mass = 7.87020118262 -0.406170906823 0.0198686697463 TCL: atom 1: phi = -0.124405969223 TCL: Center of mass = 7.87190468745 -0.406685794526 0.0194387371243 TCL: atom 1: phi = -0.12468048035 TCL: Center of mass = 7.87360980787 -0.407211375697 0.0190097845403 TCL: atom 1: phi = -0.124938431424 TCL: Center of mass = 7.8752907742 -0.407703547124 0.0185889212899 TCL: atom 1: phi = -0.125237422005 TCL: Center of mass = 7.87697830642 -0.408215035114 0.0181958822113 TCL: atom 1: phi = -0.125509159613 TCL: Center of mass = 7.87866016801 -0.408714417819 0.0178323523754 TCL: atom 1: phi = -0.125869609173 TCL: Center of mass = 7.88034226081 -0.40926562977 0.0174999175619 TCL: atom 1: phi = -0.126250548416 TCL: Center of mass = 7.88202821263 -0.409825735057 0.0171937974526 TCL: atom 1: phi = -0.126913310457 TCL: Center of mass = 7.88373350604 -0.410409971057 0.016911261309 TCL: atom 1: phi = -0.127746664929 TCL: Center of mass = 7.88543694001 -0.410977424044 0.0166131213459 TCL: atom 1: phi = -0.128870567877 TCL: Center of mass = 7.88716131325 -0.411533776451 0.016281613919 TCL: atom 1: phi = -0.130068312982 TCL: Center of mass = 7.88887678522 -0.412014684383 0.0159334139466 TCL: atom 1: phi = -0.131432963129 TCL: Center of mass = 7.890567859 -0.41245890464 0.0155563864699 TCL: atom 1: phi = -0.132740691232 TCL: Center of mass = 7.89221177911 -0.412803987676 0.0151509990811 TCL: atom 1: phi = -0.134087598248 TCL: Center of mass = 7.89383174175 -0.413113458244 0.0147603678945 TCL: atom 1: phi = -0.135224314439 TCL: Center of mass = 7.89542355167 -0.413343730256 0.014367187808 TCL: atom 1: phi = -0.136253581175 TCL: Center of mass = 7.89700053084 -0.413586918673 0.0140143176873 TCL: atom 1: phi = -0.13705302297 TCL: Center of mass = 7.8985865806 -0.41382309616 0.0136932821067 TCL: atom 1: phi = -0.13774904211 TCL: Center of mass = 7.9002128916 -0.414093238445 0.0134185788789 TCL: atom 1: phi = -0.138274873914 TCL: Center of mass = 7.90185681042 -0.414341529787 0.0131594788459 TCL: atom 1: phi = -0.138763311904 TCL: Center of mass = 7.90351122614 -0.414596919054 0.0129082038952 TCL: atom 1: phi = -0.139183879481 TCL: Center of mass = 7.90515172181 -0.41483468202 0.0126247130411 TCL: atom 1: phi = -0.139615836025 TCL: Center of mass = 7.90677240221 -0.41507365178 0.0123390175932 TCL: atom 1: phi = -0.139926273899 TCL: Center of mass = 7.90836237688 -0.415282773516 0.0120395325953 TCL: atom 1: phi = -0.140264974035 TCL: Center of mass = 7.90993975583 -0.415476508206 0.0117560409703 TCL: atom 1: phi = -0.140476669574 TCL: Center of mass = 7.91149622577 -0.415643373021 0.0115029913378 TCL: atom 1: phi = -0.140684859274 WRITING COORDINATES TO DCD FILE AT STEP 6100 WRITING COORDINATES TO RESTART FILE AT STEP 6100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6100 FINISHED WRITING RESTART VELOCITIES TIMING: 6100 CPU: 325.001, 0.0532719/step Wall: 391.42, 0.0634947/step, 0.24516 hours remaining, 13604 kB of memory in use. ENERGY: 6100 3366.8489 2473.4756 374.6692 35.8691 -44553.7196 4012.5145 0.0000 0.0000 9809.6212 -24480.7211 290.7971 -24339.7916 -24328.4949 289.8609 760.2708 -1095.2774 125000.0000 -1297.4422 -1299.3598 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6100 TCL: Center of mass = 7.91304200345 -0.4158230467 0.0112971774149 TCL: atom 1: phi = -0.140859565827 TCL: Center of mass = 7.91457819131 -0.415997442485 0.0111367137206 TCL: atom 1: phi = -0.141212270434 TCL: Center of mass = 7.91615054661 -0.416206587839 0.0110263528244 TCL: atom 1: phi = -0.141676148218 TCL: Center of mass = 7.9177433374 -0.416416929337 0.0109394136793 TCL: atom 1: phi = -0.142414497505 TCL: Center of mass = 7.91936176647 -0.416663636327 0.0108703225293 TCL: atom 1: phi = -0.143265461932 TCL: Center of mass = 7.92100089096 -0.416901904312 0.0108122246689 TCL: atom 1: phi = -0.14441607476 TCL: Center of mass = 7.92264472272 -0.417152925056 0.0107468671621 TCL: atom 1: phi = -0.145640006469 TCL: Center of mass = 7.92427732308 -0.417364973357 0.0106623450869 TCL: atom 1: phi = -0.146925709925 TCL: Center of mass = 7.92588407216 -0.417569790633 0.0105960835465 TCL: atom 1: phi = -0.148082485933 TCL: Center of mass = 7.92746680077 -0.417753520937 0.0105422475788 TCL: atom 1: phi = -0.149212119743 TCL: Center of mass = 7.92905363177 -0.417928037542 0.0104882686659 TCL: atom 1: phi = -0.150067255955 TCL: Center of mass = 7.93062785851 -0.418087142457 0.0104394116562 TCL: atom 1: phi = -0.150793987789 TCL: Center of mass = 7.93221579443 -0.418251039594 0.0103904967996 TCL: atom 1: phi = -0.151322552789 TCL: Center of mass = 7.93380999999 -0.418417954062 0.0103338900092 TCL: atom 1: phi = -0.151828326539 TCL: Center of mass = 7.93541405654 -0.418601116067 0.0102790383421 TCL: atom 1: phi = -0.152154624862 TCL: Center of mass = 7.937027127 -0.418784119933 0.010205734208 TCL: atom 1: phi = -0.152546780294 TCL: Center of mass = 7.93863177348 -0.419002774324 0.0101241855298 TCL: atom 1: phi = -0.152798316812 TCL: Center of mass = 7.94020938026 -0.419214726498 0.0100299833473 TCL: atom 1: phi = -0.153062117839 TCL: Center of mass = 7.94179250502 -0.419458967195 0.00993055099847 TCL: atom 1: phi = -0.153141062207 TCL: Center of mass = 7.94333792073 -0.419714645812 0.0098101907146 TCL: atom 1: phi = -0.153201628451 TCL: Center of mass = 7.94488609291 -0.419980485486 0.00968785332728 TCL: atom 1: phi = -0.153054407549 TCL: Center of mass = 7.94641068813 -0.420243257549 0.00955927497452 TCL: atom 1: phi = -0.152882499401 TCL: Center of mass = 7.94793173857 -0.420503669903 0.00942946310876 TCL: atom 1: phi = -0.152579761934 TCL: Center of mass = 7.94942182857 -0.42077072531 0.00929493216423 TCL: atom 1: phi = -0.15238354325 TCL: Center of mass = 7.95093043907 -0.421040737538 0.00917966912315 TCL: atom 1: phi = -0.152151610833 TCL: Center of mass = 7.95240920667 -0.421305617522 0.0090760137567 TCL: atom 1: phi = -0.152123139308 TCL: Center of mass = 7.95387869863 -0.421596062841 0.00898000453777 TCL: atom 1: phi = -0.152135573183 TCL: Center of mass = 7.95534322789 -0.421889171155 0.00888544973631 TCL: atom 1: phi = -0.152370536008 TCL: Center of mass = 7.95680950367 -0.422188030187 0.00881874297354 TCL: atom 1: phi = -0.152594610431 TCL: Center of mass = 7.9582607318 -0.422473176346 0.00875728315398 TCL: atom 1: phi = -0.152951504155 TCL: Center of mass = 7.95971156857 -0.422764901004 0.00869773963364 TCL: atom 1: phi = -0.153125061769 TCL: Center of mass = 7.96117760093 -0.423017679476 0.00863007434211 TCL: atom 1: phi = -0.153287749029 TCL: Center of mass = 7.96266686282 -0.423245737288 0.00856709592652 TCL: atom 1: phi = -0.153220458479 TCL: Center of mass = 7.96412831057 -0.423408873099 0.00849580381026 TCL: atom 1: phi = -0.153173082136 TCL: Center of mass = 7.96558687415 -0.423538094399 0.00844833893913 TCL: atom 1: phi = -0.153002158356 TCL: Center of mass = 7.96702332709 -0.423636182098 0.00840977061068 TCL: atom 1: phi = -0.153033128708 TCL: Center of mass = 7.96846330319 -0.423737342223 0.0083918923273 TCL: atom 1: phi = -0.153012766785 TCL: Center of mass = 7.96989788352 -0.423828734278 0.00839656760773 TCL: atom 1: phi = -0.153116178813 TCL: Center of mass = 7.97134027576 -0.423941219213 0.00841713006782 TCL: atom 1: phi = -0.153140024752 TCL: Center of mass = 7.97278109366 -0.424067240357 0.00843666077607 TCL: atom 1: phi = -0.153205668694 TCL: Center of mass = 7.97423975244 -0.424239612253 0.00845274294176 TCL: atom 1: phi = -0.153060615507 TCL: Center of mass = 7.97570798179 -0.42442328738 0.00845443893403 TCL: atom 1: phi = -0.152951947985 TCL: Center of mass = 7.97718393789 -0.424617899065 0.00845009778593 TCL: atom 1: phi = -0.152711707803 TCL: Center of mass = 7.97865687893 -0.424796999282 0.00842589421169 TCL: atom 1: phi = -0.15261180725 TCL: Center of mass = 7.98013537954 -0.424973782967 0.00838369947043 TCL: atom 1: phi = -0.15246254306 TCL: Center of mass = 7.98160715494 -0.425137340011 0.0083421345714 TCL: atom 1: phi = -0.152538463231 TCL: Center of mass = 7.9830879898 -0.425307235178 0.00832525755722 TCL: atom 1: phi = -0.15264362112 TCL: Center of mass = 7.9845685443 -0.425501970004 0.00833504757949 TCL: atom 1: phi = -0.153070426551 TCL: Center of mass = 7.98605312999 -0.425737654453 0.00841840785972 TCL: atom 1: phi = -0.153570444053 TCL: Center of mass = 7.98754469051 -0.426013036875 0.00854272796923 TCL: atom 1: phi = -0.154302827214 TCL: Center of mass = 7.98907068069 -0.426349195399 0.00870890669022 TCL: atom 1: phi = -0.155007111557 TCL: Center of mass = 7.99060802 -0.426700698189 0.00888655561121 TCL: atom 1: phi = -0.155825053546 TCL: Center of mass = 7.99215560883 -0.427050116438 0.00906295056691 TCL: atom 1: phi = -0.156448398168 TCL: Center of mass = 7.9937059918 -0.427378885209 0.00924336324267 TCL: atom 1: phi = -0.157174319046 TCL: Center of mass = 7.99524713168 -0.42769079169 0.00942612884811 TCL: atom 1: phi = -0.157675920983 TCL: Center of mass = 7.99677083948 -0.427957847836 0.00959573640024 TCL: atom 1: phi = -0.158341609157 TCL: Center of mass = 7.99828451078 -0.428202053761 0.00976603464999 TCL: atom 1: phi = -0.158938027382 TCL: Center of mass = 7.99979415893 -0.428424605715 0.00995841513312 TCL: atom 1: phi = -0.159645046278 TCL: Center of mass = 8.00130220659 -0.428657300307 0.0101674278043 TCL: atom 1: phi = -0.160185042892 TCL: Center of mass = 8.00280921036 -0.428905156081 0.0104064622207 TCL: atom 1: phi = -0.160774794415 TCL: Center of mass = 8.00435078786 -0.429191304014 0.0106613949331 TCL: atom 1: phi = -0.161131410569 TCL: Center of mass = 8.00591718655 -0.429491323585 0.0108977877842 TCL: atom 1: phi = -0.161333490268 TCL: Center of mass = 8.00751815223 -0.429812356928 0.011099965038 TCL: atom 1: phi = -0.161217374714 TCL: Center of mass = 8.00912662684 -0.430143403446 0.0112750984159 TCL: atom 1: phi = -0.161003423125 TCL: Center of mass = 8.01074776235 -0.430467734836 0.0114155700367 TCL: atom 1: phi = -0.160583176099 TCL: Center of mass = 8.01233313455 -0.430777959697 0.0115053797495 TCL: atom 1: phi = -0.16024637858 TCL: Center of mass = 8.01391526851 -0.431065441066 0.011590489024 TCL: atom 1: phi = -0.159755395865 TCL: Center of mass = 8.01548438779 -0.431314359936 0.011662817729 TCL: atom 1: phi = -0.159437637179 TCL: Center of mass = 8.01703794426 -0.431568878856 0.0117448594574 TCL: atom 1: phi = -0.159094740283 TCL: Center of mass = 8.01859980338 -0.431821818028 0.0118487796496 TCL: atom 1: phi = -0.158811275132 TCL: Center of mass = 8.02017270777 -0.432094779044 0.0119847505669 TCL: atom 1: phi = -0.15835110765 TCL: Center of mass = 8.02174035 -0.432388733378 0.0121086804152 TCL: atom 1: phi = -0.157838748529 TCL: Center of mass = 8.0233343046 -0.432710416997 0.0122367459493 TCL: atom 1: phi = -0.157021935012 TCL: Center of mass = 8.02493419493 -0.433039627315 0.0123381448851 TCL: atom 1: phi = -0.156034362488 TCL: Center of mass = 8.02655173047 -0.433386907138 0.0124300346075 TCL: atom 1: phi = -0.154725745339 TCL: Center of mass = 8.0281572748 -0.433721331535 0.0124860376122 TCL: atom 1: phi = -0.153384613977 TCL: Center of mass = 8.02976325227 -0.434019964752 0.0125378724892 TCL: atom 1: phi = -0.151879657275 TCL: Center of mass = 8.03134339836 -0.434279743232 0.0125786578 TCL: atom 1: phi = -0.150570116806 TCL: Center of mass = 8.03293149359 -0.434526095806 0.012625358856 TCL: atom 1: phi = -0.149330216002 TCL: Center of mass = 8.03449110834 -0.434735427072 0.012668308179 TCL: atom 1: phi = -0.148299581959 TCL: Center of mass = 8.03605590964 -0.434955979533 0.0127346551328 TCL: atom 1: phi = -0.147308041551 TCL: Center of mass = 8.03762791925 -0.435193646411 0.0128061085089 TCL: atom 1: phi = -0.146548649507 TCL: Center of mass = 8.0392303965 -0.435454466688 0.0128573192583 TCL: atom 1: phi = -0.145649815546 TCL: Center of mass = 8.04084108934 -0.435723363735 0.0128900269033 TCL: atom 1: phi = -0.144830247697 TCL: Center of mass = 8.04246146433 -0.436015680526 0.0128758595464 TCL: atom 1: phi = -0.143871648741 TCL: Center of mass = 8.04408444324 -0.436302891967 0.0128145131187 TCL: atom 1: phi = -0.143046609756 TCL: Center of mass = 8.04572526635 -0.436618261855 0.0127287022063 TCL: atom 1: phi = -0.142218346323 TCL: Center of mass = 8.0473667058 -0.436906749556 0.0126241339463 TCL: atom 1: phi = -0.141642849628 TCL: Center of mass = 8.04901291081 -0.437178493809 0.0125201204428 TCL: atom 1: phi = -0.141109708445 TCL: Center of mass = 8.05063834169 -0.437454413075 0.0124304555523 TCL: atom 1: phi = -0.140796469777 TCL: Center of mass = 8.05226075232 -0.437748698451 0.0123461722797 TCL: atom 1: phi = -0.140465938256 TCL: Center of mass = 8.05390282479 -0.438050196025 0.0122772965119 TCL: atom 1: phi = -0.140285187965 TCL: Center of mass = 8.05554734707 -0.438380871876 0.0122274527133 TCL: atom 1: phi = -0.139887315442 TCL: Center of mass = 8.05718591718 -0.438738003641 0.0121801527866 TCL: atom 1: phi = -0.139482380166 TCL: Center of mass = 8.05881763157 -0.439137832328 0.012134896125 TCL: atom 1: phi = -0.138810185702 TCL: Center of mass = 8.06042845997 -0.439563633404 0.0121008135801 TCL: atom 1: phi = -0.138051210014 TCL: Center of mass = 8.06203713983 -0.439999795569 0.0120497060597 TCL: atom 1: phi = -0.136984777139 TCL: Center of mass = 8.06363038114 -0.440429853086 0.0119919217768 TCL: atom 1: phi = -0.135949957348 TCL: Center of mass = 8.06520433983 -0.440855128176 0.0119365869283 TCL: atom 1: phi = -0.134768256179 TCL: Center of mass = 8.06676022572 -0.441238136596 0.011910932844 TCL: atom 1: phi = -0.133731883242 WRITING COORDINATES TO DCD FILE AT STEP 6200 WRITING COORDINATES TO RESTART FILE AT STEP 6200 FINISHED WRITING RESTART COORDINATES TIMING: 6200 CPU: 330.329, 0.0532819/step Wall: 397.755, 0.0633535/step, 0.242855 hours remaining, 13604 kB of memory in use. ENERGY: 6200 3461.7708 2403.7023 380.5353 35.2784 -44631.1600 4017.3678 0.0000 0.0000 9847.5173 -24484.9880 291.9205 -24342.7163 -24335.7573 290.6145 497.4859 -1331.9788 125000.0000 -1275.7259 -1273.8354 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6200 WRITING VELOCITIES TO RESTART FILE AT STEP 6200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.06830608277 -0.441620090886 0.0119024916291 TCL: atom 1: phi = -0.132607626119 TCL: Center of mass = 8.06982494869 -0.441988029876 0.0119157757299 TCL: atom 1: phi = -0.131522803898 TCL: Center of mass = 8.07134399647 -0.442355279612 0.0119370099884 TCL: atom 1: phi = -0.130201710925 TCL: Center of mass = 8.07284546088 -0.44269162929 0.0119735420573 TCL: atom 1: phi = -0.128863942877 TCL: Center of mass = 8.07432947686 -0.443028883038 0.0120168803351 TCL: atom 1: phi = -0.127308360101 TCL: Center of mass = 8.07580408215 -0.443373258437 0.0120633435824 TCL: atom 1: phi = -0.125782446696 TCL: Center of mass = 8.07729841245 -0.443729408888 0.0121041982898 TCL: atom 1: phi = -0.124050472621 TCL: Center of mass = 8.07882378538 -0.444091723599 0.0121289209161 TCL: atom 1: phi = -0.122590305743 TCL: Center of mass = 8.08036661619 -0.444467789228 0.0121235498646 TCL: atom 1: phi = -0.121195632077 TCL: Center of mass = 8.08192995652 -0.444835854481 0.0120935671058 TCL: atom 1: phi = -0.12021760592 TCL: Center of mass = 8.08352325834 -0.445218187811 0.0120572731988 TCL: atom 1: phi = -0.119408003588 TCL: Center of mass = 8.08511211989 -0.445579208207 0.0120258452567 TCL: atom 1: phi = -0.118968445171 TCL: Center of mass = 8.0867096203 -0.445940551044 0.0120047165406 TCL: atom 1: phi = -0.118475511918 TCL: Center of mass = 8.08830821768 -0.446300378409 0.011989886776 TCL: atom 1: phi = -0.118161918754 TCL: Center of mass = 8.08991832206 -0.446706717913 0.0119870140374 TCL: atom 1: phi = -0.117716795228 TCL: Center of mass = 8.09153575543 -0.447089234722 0.0119782510547 TCL: atom 1: phi = -0.117283694265 TCL: Center of mass = 8.0931728703 -0.447506014763 0.0119673163883 TCL: atom 1: phi = -0.116662426347 TCL: Center of mass = 8.09483796675 -0.447923939475 0.0119700368497 TCL: atom 1: phi = -0.116098667179 TCL: Center of mass = 8.0965238376 -0.448388566286 0.0119872332491 TCL: atom 1: phi = -0.11541373165 TCL: Center of mass = 8.09821780992 -0.44886201562 0.0120052906464 TCL: atom 1: phi = -0.114874261296 TCL: Center of mass = 8.09991903094 -0.449363094074 0.0120255805336 TCL: atom 1: phi = -0.114272302351 TCL: Center of mass = 8.10161133746 -0.449845769831 0.0120401155535 TCL: atom 1: phi = -0.113796985118 TCL: Center of mass = 8.10329482737 -0.450312425082 0.0120672652476 TCL: atom 1: phi = -0.113225852957 TCL: Center of mass = 8.10495744153 -0.450750654038 0.0121055467693 TCL: atom 1: phi = -0.112659791532 TCL: Center of mass = 8.10661532055 -0.451180135505 0.01216802275 TCL: atom 1: phi = -0.11193485313 TCL: Center of mass = 8.10828096233 -0.451600038355 0.0122411740821 TCL: atom 1: phi = -0.111262123922 TCL: Center of mass = 8.10993837987 -0.452008089028 0.0123279525474 TCL: atom 1: phi = -0.110449166412 TCL: Center of mass = 8.11159130173 -0.452387243152 0.0124193652925 TCL: atom 1: phi = -0.10970490905 TCL: Center of mass = 8.11325714172 -0.452783768363 0.0125159739108 TCL: atom 1: phi = -0.108991351915 TCL: Center of mass = 8.11493588322 -0.453202178418 0.0126123366695 TCL: atom 1: phi = -0.108531604815 TCL: Center of mass = 8.11663997105 -0.45363075106 0.0126824480707 TCL: atom 1: phi = -0.10811527118 TCL: Center of mass = 8.11835517776 -0.454054478182 0.0127399907849 TCL: atom 1: phi = -0.107989297565 TCL: Center of mass = 8.12006177663 -0.454470071327 0.0127848290434 TCL: atom 1: phi = -0.107843436316 TCL: Center of mass = 8.12175701424 -0.454870119244 0.0128244463734 TCL: atom 1: phi = -0.107799815455 TCL: Center of mass = 8.12343957686 -0.45527333405 0.0128619666095 TCL: atom 1: phi = -0.107541044956 TCL: Center of mass = 8.12511893173 -0.455652594401 0.0129002601948 TCL: atom 1: phi = -0.107154668386 TCL: Center of mass = 8.12678984399 -0.456039214696 0.0129526551037 TCL: atom 1: phi = -0.10646499911 TCL: Center of mass = 8.12845596781 -0.456428092761 0.0130177589082 TCL: atom 1: phi = -0.105599834107 TCL: Center of mass = 8.13013659649 -0.456852050219 0.0131043846883 TCL: atom 1: phi = -0.104501432601 TCL: Center of mass = 8.13183397493 -0.457304248185 0.0131906820361 TCL: atom 1: phi = -0.103451079444 TCL: Center of mass = 8.13355304438 -0.457778818503 0.0133028573704 TCL: atom 1: phi = -0.102328041422 TCL: Center of mass = 8.13525968248 -0.458237902568 0.013399184519 TCL: atom 1: phi = -0.10137815617 TCL: Center of mass = 8.13697362457 -0.458692280738 0.013494991429 TCL: atom 1: phi = -0.100398866392 TCL: Center of mass = 8.13868472752 -0.459124683655 0.0135668943359 TCL: atom 1: phi = -0.099562410285 TCL: Center of mass = 8.14037217818 -0.459535044543 0.0136552921325 TCL: atom 1: phi = -0.0985990873363 TCL: Center of mass = 8.14203693174 -0.459906347143 0.0137491661175 TCL: atom 1: phi = -0.0976984421813 TCL: Center of mass = 8.14369386778 -0.46027176137 0.0138864064348 TCL: atom 1: phi = -0.0966397202724 TCL: Center of mass = 8.14535450837 -0.460615002304 0.0140502621707 TCL: atom 1: phi = -0.0956925799184 TCL: Center of mass = 8.14702045959 -0.460963904659 0.0142358051411 TCL: atom 1: phi = -0.0947885332027 TCL: Center of mass = 8.14870657364 -0.461293400671 0.0144217804921 TCL: atom 1: phi = -0.0942129079671 TCL: Center of mass = 8.15044003337 -0.461647186988 0.0146056799834 TCL: atom 1: phi = -0.0939078525978 TCL: Center of mass = 8.15216676152 -0.461979535849 0.0147767904599 TCL: atom 1: phi = -0.0940615204676 TCL: Center of mass = 8.15392411289 -0.462299563011 0.0149477368192 TCL: atom 1: phi = -0.0944138093561 TCL: Center of mass = 8.15571873674 -0.462599714153 0.0150697079386 TCL: atom 1: phi = -0.0950646985684 TCL: Center of mass = 8.15752962622 -0.462878535412 0.0151777869453 TCL: atom 1: phi = -0.0956947287133 TCL: Center of mass = 8.15934801207 -0.463111782174 0.0152583278511 TCL: atom 1: phi = -0.096460648613 TCL: Center of mass = 8.16116514528 -0.463337368279 0.0153277932617 TCL: atom 1: phi = -0.0970377693536 TCL: Center of mass = 8.16298160796 -0.463519181462 0.0153560864274 TCL: atom 1: phi = -0.0976723980922 TCL: Center of mass = 8.16480682794 -0.463722639585 0.0154019392118 TCL: atom 1: phi = -0.0982131715198 TCL: Center of mass = 8.16663447778 -0.463932140847 0.0154533350381 TCL: atom 1: phi = -0.0988616769352 TCL: Center of mass = 8.16848947754 -0.464174456485 0.0155191009402 TCL: atom 1: phi = -0.0994871536588 TCL: Center of mass = 8.17033174049 -0.464424378856 0.0155672604551 TCL: atom 1: phi = -0.100286957712 TCL: Center of mass = 8.17215638156 -0.464697565568 0.0156315422514 TCL: atom 1: phi = -0.101092895223 TCL: Center of mass = 8.17395890116 -0.464962333087 0.015688216804 TCL: atom 1: phi = -0.102000689589 TCL: Center of mass = 8.17574527831 -0.465236169008 0.015775467507 TCL: atom 1: phi = -0.102733653853 TCL: Center of mass = 8.17750447919 -0.465458947616 0.0158696241657 TCL: atom 1: phi = -0.103382068203 TCL: Center of mass = 8.1792264791 -0.465650334926 0.0159678373325 TCL: atom 1: phi = -0.103719641072 TCL: Center of mass = 8.18093828223 -0.465808383683 0.0160717541465 TCL: atom 1: phi = -0.103975103274 TCL: Center of mass = 8.18264290678 -0.465967261605 0.0162169157355 TCL: atom 1: phi = -0.104004501187 TCL: Center of mass = 8.18432105912 -0.466117434543 0.0163731423232 TCL: atom 1: phi = -0.104116012224 TCL: Center of mass = 8.18600884037 -0.466277666679 0.0165433211679 TCL: atom 1: phi = -0.1042105739 TCL: Center of mass = 8.18770289805 -0.466452229259 0.0167307530478 TCL: atom 1: phi = -0.1045399219 TCL: Center of mass = 8.18943362515 -0.466680440797 0.0169331666386 TCL: atom 1: phi = -0.104971680338 TCL: Center of mass = 8.19115689014 -0.466916982192 0.0171350285048 TCL: atom 1: phi = -0.105639758254 TCL: Center of mass = 8.19289816455 -0.467169128482 0.017316369799 TCL: atom 1: phi = -0.106335321369 TCL: Center of mass = 8.1946785058 -0.467416932006 0.0174538086738 TCL: atom 1: phi = -0.107128719409 TCL: Center of mass = 8.19649495235 -0.467673161937 0.0175683617937 TCL: atom 1: phi = -0.107752609808 TCL: Center of mass = 8.19833612588 -0.46788929799 0.0176284678013 TCL: atom 1: phi = -0.108391641646 TCL: Center of mass = 8.20019937265 -0.468077195421 0.0176843858292 TCL: atom 1: phi = -0.108929536535 TCL: Center of mass = 8.20209146663 -0.468249450372 0.0176765270229 TCL: atom 1: phi = -0.109609548912 TCL: Center of mass = 8.20400963888 -0.468452661898 0.0176539808999 TCL: atom 1: phi = -0.11025918529 TCL: Center of mass = 8.20592861498 -0.468672093834 0.0175786946789 TCL: atom 1: phi = -0.111062175514 TCL: Center of mass = 8.20784198897 -0.468899755351 0.0174995129358 TCL: atom 1: phi = -0.111816755149 TCL: Center of mass = 8.20975026968 -0.469132553475 0.017367201274 TCL: atom 1: phi = -0.112726902214 TCL: Center of mass = 8.21165972275 -0.469383723066 0.0172184995473 TCL: atom 1: phi = -0.113529007332 TCL: Center of mass = 8.21354046978 -0.469613909149 0.0170127292661 TCL: atom 1: phi = -0.114299373928 TCL: Center of mass = 8.21541574466 -0.469850129651 0.016799625041 TCL: atom 1: phi = -0.114806687764 TCL: Center of mass = 8.21727609213 -0.470073444217 0.0165510794305 TCL: atom 1: phi = -0.115223475826 TCL: Center of mass = 8.21913119545 -0.470285166849 0.0163031558705 TCL: atom 1: phi = -0.115396990324 TCL: Center of mass = 8.22094670233 -0.4704651557 0.0160455009745 TCL: atom 1: phi = -0.115576230519 TCL: Center of mass = 8.22275756345 -0.470620670371 0.015825969454 TCL: atom 1: phi = -0.115620176158 TCL: Center of mass = 8.22454646797 -0.470734633552 0.015620438935 TCL: atom 1: phi = -0.115847292633 TCL: Center of mass = 8.22630417543 -0.470864610824 0.0154554056369 TCL: atom 1: phi = -0.116153020633 TCL: Center of mass = 8.22801454617 -0.470999626165 0.0153054088844 TCL: atom 1: phi = -0.116708950439 TCL: Center of mass = 8.22969705803 -0.471182104032 0.0151578359767 TCL: atom 1: phi = -0.117242330721 TCL: Center of mass = 8.23133912507 -0.471392308167 0.0149738181264 TCL: atom 1: phi = -0.117894218362 TCL: Center of mass = 8.23298252843 -0.471637616591 0.0147809395706 TCL: atom 1: phi = -0.118375776646 TCL: Center of mass = 8.23461158853 -0.47190893212 0.0145554477753 TCL: atom 1: phi = -0.118816430355 TCL: Center of mass = 8.23625246686 -0.472204773361 0.0143334999452 TCL: atom 1: phi = -0.118963696828 TCL: Center of mass = 8.23789757583 -0.472485520243 0.0140555069978 TCL: atom 1: phi = -0.11909840614 WRITING COORDINATES TO DCD FILE AT STEP 6300 WRITING COORDINATES TO RESTART FILE AT STEP 6300 FINISHED WRITING RESTART COORDINATES TIMING: 6300 CPU: 335.676, 0.0534719/step Wall: 404.09, 0.0633513/step, 0.241087 hours remaining, 13604 kB of memory in use. ENERGY: 6300 3429.3741 2501.3074 378.6171 39.6678 -44765.5725 4119.2952 0.0000 0.0000 9842.9143 -24454.3966 291.7840 -24313.1914 -24301.0314 290.2294 712.1389 -1104.0694 125000.0000 -1273.6384 -1268.3260 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6300 WRITING VELOCITIES TO RESTART FILE AT STEP 6300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.23956147088 -0.47276657032 0.0137770541671 TCL: atom 1: phi = -0.119102406638 TCL: Center of mass = 8.24122780422 -0.473031734101 0.013469629007 TCL: atom 1: phi = -0.119159330367 TCL: Center of mass = 8.24287872235 -0.473306266697 0.0131621807434 TCL: atom 1: phi = -0.119177904877 TCL: Center of mass = 8.24451240607 -0.473575932071 0.0128337532812 TCL: atom 1: phi = -0.119401399986 TCL: Center of mass = 8.24611917116 -0.473851750885 0.0124888147639 TCL: atom 1: phi = -0.119472240557 TCL: Center of mass = 8.24768486805 -0.474123763985 0.0121030328549 TCL: atom 1: phi = -0.119499955147 TCL: Center of mass = 8.24924302305 -0.474405672242 0.0116892217266 TCL: atom 1: phi = -0.119179343202 TCL: Center of mass = 8.25079012951 -0.474671285958 0.0112331760077 TCL: atom 1: phi = -0.118717206726 TCL: Center of mass = 8.25234103403 -0.47495430087 0.0107679500441 TCL: atom 1: phi = -0.117836573475 TCL: Center of mass = 8.25390267749 -0.475218032494 0.0102764697774 TCL: atom 1: phi = -0.116871734369 TCL: Center of mass = 8.2554932831 -0.475454848634 0.00978601382196 TCL: atom 1: phi = -0.115657479386 TCL: Center of mass = 8.25706677624 -0.475633530386 0.00929772806286 TCL: atom 1: phi = -0.114624521714 TCL: Center of mass = 8.25862882914 -0.475768098894 0.00882162892913 TCL: atom 1: phi = -0.113588127789 TCL: Center of mass = 8.26016652752 -0.475849916563 0.00836318364351 TCL: atom 1: phi = -0.11287596025 TCL: Center of mass = 8.26167234853 -0.47590721988 0.00794824600536 TCL: atom 1: phi = -0.112234941658 TCL: Center of mass = 8.26311810046 -0.475931092058 0.00756538412504 TCL: atom 1: phi = -0.111946721941 TCL: Center of mass = 8.26455312487 -0.475993506882 0.00721949363653 TCL: atom 1: phi = -0.111604504802 TCL: Center of mass = 8.26595231813 -0.47606196204 0.00689818761898 TCL: atom 1: phi = -0.111496022776 TCL: Center of mass = 8.26737099413 -0.476169286365 0.00658325913135 TCL: atom 1: phi = -0.111213478636 TCL: Center of mass = 8.26879541697 -0.476288969703 0.0062501443114 TCL: atom 1: phi = -0.111085822613 TCL: Center of mass = 8.27025762192 -0.476445550042 0.00590905528591 TCL: atom 1: phi = -0.110878907616 TCL: Center of mass = 8.27171008987 -0.476580343967 0.00557010710165 TCL: atom 1: phi = -0.110997196565 TCL: Center of mass = 8.27318072653 -0.476721168055 0.00523166019993 TCL: atom 1: phi = -0.111172311284 TCL: Center of mass = 8.27462066113 -0.476839215584 0.00487413534621 TCL: atom 1: phi = -0.111757326536 TCL: Center of mass = 8.27605439341 -0.47694358775 0.00451409727408 TCL: atom 1: phi = -0.112369415549 TCL: Center of mass = 8.27746347023 -0.477027206364 0.00414850152488 TCL: atom 1: phi = -0.113305944094 TCL: Center of mass = 8.27886330341 -0.477115619739 0.00380991922577 TCL: atom 1: phi = -0.11413060806 TCL: Center of mass = 8.28024721062 -0.477211441629 0.00347079699947 TCL: atom 1: phi = -0.11501393742 TCL: Center of mass = 8.28164451446 -0.477321846073 0.00315828207327 TCL: atom 1: phi = -0.115676934311 TCL: Center of mass = 8.28301466375 -0.477467363568 0.00282818812041 TCL: atom 1: phi = -0.116402157246 TCL: Center of mass = 8.28441587524 -0.47765339508 0.0025007004842 TCL: atom 1: phi = -0.117007013335 TCL: Center of mass = 8.28583174723 -0.477838809149 0.00217135758027 TCL: atom 1: phi = -0.117913329322 TCL: Center of mass = 8.28726859742 -0.478014218228 0.00185413997763 TCL: atom 1: phi = -0.118853241583 TCL: Center of mass = 8.2886884885 -0.478158198727 0.00154585482185 TCL: atom 1: phi = -0.120149954649 TCL: Center of mass = 8.29009388571 -0.478284217418 0.00124880353591 TCL: atom 1: phi = -0.121528447105 TCL: Center of mass = 8.29145797527 -0.478377001031 0.00096600154235 TCL: atom 1: phi = -0.12327438253 TCL: Center of mass = 8.29282439528 -0.47846036725 0.000710287233278 TCL: atom 1: phi = -0.125019964853 TCL: Center of mass = 8.29417242921 -0.478534884018 0.000463652300668 TCL: atom 1: phi = -0.126923907423 TCL: Center of mass = 8.29551703501 -0.478626602164 0.000255589804186 TCL: atom 1: phi = -0.128667184716 TCL: Center of mass = 8.29685838164 -0.478739488239 5.44546821176e-05 TCL: atom 1: phi = -0.130435260188 TCL: Center of mass = 8.29820704088 -0.478881750526 -0.000156387743433 TCL: atom 1: phi = -0.132053829662 TCL: Center of mass = 8.29955770459 -0.479048090838 -0.000388222853372 TCL: atom 1: phi = -0.133724700484 TCL: Center of mass = 8.30093331648 -0.479241711329 -0.000638422181414 TCL: atom 1: phi = -0.135270354617 TCL: Center of mass = 8.30229114519 -0.479432095983 -0.000917555320841 TCL: atom 1: phi = -0.136975857281 TCL: Center of mass = 8.30365063758 -0.479629071594 -0.00120189447078 TCL: atom 1: phi = -0.138591441473 TCL: Center of mass = 8.30499934936 -0.479802913142 -0.00152631894534 TCL: atom 1: phi = -0.14026655121 TCL: Center of mass = 8.30639305544 -0.479972600262 -0.00185497837944 TCL: atom 1: phi = -0.141669524812 TCL: Center of mass = 8.30778917247 -0.480124938386 -0.00217417324248 TCL: atom 1: phi = -0.142957359829 TCL: Center of mass = 8.30920741177 -0.480264127985 -0.00247643871377 TCL: atom 1: phi = -0.143884551716 TCL: Center of mass = 8.3106243798 -0.48040472808 -0.00276994666131 TCL: atom 1: phi = -0.144594557404 TCL: Center of mass = 8.31206979028 -0.480571828163 -0.00306098601502 TCL: atom 1: phi = -0.144875135051 TCL: Center of mass = 8.31353357401 -0.480748318168 -0.00336333534694 TCL: atom 1: phi = -0.145028998303 TCL: Center of mass = 8.31502428144 -0.480958989227 -0.00366335733453 TCL: atom 1: phi = -0.144914773693 TCL: Center of mass = 8.31650598578 -0.48118150979 -0.00397604073013 TCL: atom 1: phi = -0.144927532291 TCL: Center of mass = 8.31798860332 -0.481410088841 -0.00429660844363 TCL: atom 1: phi = -0.144817538388 TCL: Center of mass = 8.31946547153 -0.481632261229 -0.00460722335261 TCL: atom 1: phi = -0.144818251459 TCL: Center of mass = 8.32095362486 -0.481839503871 -0.00490382596209 TCL: atom 1: phi = -0.144639473021 TCL: Center of mass = 8.32242522574 -0.482011865773 -0.00517902132436 TCL: atom 1: phi = -0.144456229312 TCL: Center of mass = 8.32388680878 -0.482184582777 -0.00541109655385 TCL: atom 1: phi = -0.14399498719 TCL: Center of mass = 8.32531523513 -0.482350364446 -0.00560604223633 TCL: atom 1: phi = -0.143526781001 TCL: Center of mass = 8.32672877781 -0.482533182241 -0.00578789767895 TCL: atom 1: phi = -0.14275523148 TCL: Center of mass = 8.32810158116 -0.482718986992 -0.00596849867815 TCL: atom 1: phi = -0.142056067866 TCL: Center of mass = 8.32947486048 -0.482960781286 -0.00614142725142 TCL: atom 1: phi = -0.141181804573 TCL: Center of mass = 8.33079468189 -0.483223813955 -0.00631828002683 TCL: atom 1: phi = -0.140474674834 TCL: Center of mass = 8.33211650792 -0.4835375021 -0.0064983505315 TCL: atom 1: phi = -0.139626568716 TCL: Center of mass = 8.33343327525 -0.483841262658 -0.00668165120661 TCL: atom 1: phi = -0.13898520557 TCL: Center of mass = 8.33475340779 -0.484177113427 -0.00689126213187 TCL: atom 1: phi = -0.138140342088 TCL: Center of mass = 8.33607001215 -0.484505543723 -0.00711428917565 TCL: atom 1: phi = -0.137334264963 TCL: Center of mass = 8.33739823658 -0.484847274003 -0.00732565261335 TCL: atom 1: phi = -0.136247307629 TCL: Center of mass = 8.33870945425 -0.48518719584 -0.00756648416046 TCL: atom 1: phi = -0.135159281692 TCL: Center of mass = 8.34002386506 -0.485530636043 -0.00780136240308 TCL: atom 1: phi = -0.133834153652 TCL: Center of mass = 8.34133828871 -0.485837776228 -0.0080617666534 TCL: atom 1: phi = -0.132670221623 TCL: Center of mass = 8.34265490478 -0.486168947563 -0.00833689191976 TCL: atom 1: phi = -0.131459442902 TCL: Center of mass = 8.34393988549 -0.486459688388 -0.0086314220754 TCL: atom 1: phi = -0.130631180675 TCL: Center of mass = 8.34523221932 -0.486730512381 -0.0089219449147 TCL: atom 1: phi = -0.129937114238 TCL: Center of mass = 8.34651805529 -0.487002217079 -0.00923177490587 TCL: atom 1: phi = -0.129725505534 TCL: Center of mass = 8.34781347926 -0.487273916352 -0.00953366088159 TCL: atom 1: phi = -0.129693893098 TCL: Center of mass = 8.34910473851 -0.487518019501 -0.00983293386402 TCL: atom 1: phi = -0.130055614433 TCL: Center of mass = 8.3504144722 -0.487766975242 -0.0101296722435 TCL: atom 1: phi = -0.130494994371 TCL: Center of mass = 8.35170756615 -0.487987697594 -0.0104221657287 TCL: atom 1: phi = -0.131225445983 TCL: Center of mass = 8.35298074432 -0.488206057417 -0.0106862067421 TCL: atom 1: phi = -0.131953162829 TCL: Center of mass = 8.35420470453 -0.488391370959 -0.0109218339843 TCL: atom 1: phi = -0.132887709068 TCL: Center of mass = 8.35537924122 -0.488578838628 -0.0111582270937 TCL: atom 1: phi = -0.133877179345 TCL: Center of mass = 8.3564975505 -0.488727442073 -0.0114026035951 TCL: atom 1: phi = -0.135166565319 TCL: Center of mass = 8.35758427566 -0.488910588933 -0.0116282646982 TCL: atom 1: phi = -0.1364764516 TCL: Center of mass = 8.35864994447 -0.489090656578 -0.0118601617406 TCL: atom 1: phi = -0.138106434327 TCL: Center of mass = 8.35972079579 -0.489290945544 -0.012095564917 TCL: atom 1: phi = -0.139726861983 TCL: Center of mass = 8.36079287445 -0.489491649512 -0.0123487559831 TCL: atom 1: phi = -0.14148101025 TCL: Center of mass = 8.36188709359 -0.489717013077 -0.0125952085074 TCL: atom 1: phi = -0.143002710245 TCL: Center of mass = 8.36299902444 -0.489943037147 -0.0128514059355 TCL: atom 1: phi = -0.144482620946 TCL: Center of mass = 8.36413344251 -0.490182834489 -0.0131109724495 TCL: atom 1: phi = -0.145587656664 TCL: Center of mass = 8.36528845248 -0.49040898806 -0.013388454824 TCL: atom 1: phi = -0.146609830972 TCL: Center of mass = 8.36645157039 -0.490657926053 -0.0136678117466 TCL: atom 1: phi = -0.147366140478 TCL: Center of mass = 8.36760604929 -0.490900615137 -0.0139637483332 TCL: atom 1: phi = -0.148165085985 TCL: Center of mass = 8.36876313772 -0.491167906188 -0.0142783148437 TCL: atom 1: phi = -0.148883054005 TCL: Center of mass = 8.36992613211 -0.491414090117 -0.0146107728568 TCL: atom 1: phi = -0.149669009972 TCL: Center of mass = 8.37110940304 -0.491688629782 -0.0149390461985 TCL: atom 1: phi = -0.150366356589 TCL: Center of mass = 8.37228814507 -0.491952312247 -0.0152682477575 TCL: atom 1: phi = -0.151155001752 TCL: Center of mass = 8.37348568449 -0.492231214381 -0.0156262631473 TCL: atom 1: phi = -0.151837087543 TCL: Center of mass = 8.37468805908 -0.492483905098 -0.0159939339666 TCL: atom 1: phi = -0.152623175316 WRITING COORDINATES TO DCD FILE AT STEP 6400 WRITING COORDINATES TO RESTART FILE AT STEP 6400 FINISHED WRITING RESTART COORDINATES TIMING: 6400 CPU: 341.005, 0.0532919/step Wall: 410.41, 0.0631962/step, 0.238741 hours remaining, 13604 kB of memory in use. ENERGY: 6400 3493.9438 2453.1672 401.1336 34.4858 -44789.3247 4095.0986 0.0000 0.0000 9910.8288 -24400.6669 293.7973 -24256.2178 -24254.4048 291.8521 230.7793 -1493.7690 125000.0000 -987.6217 -987.9958 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6400 WRITING VELOCITIES TO RESTART FILE AT STEP 6400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.37590734537 -0.492758564025 -0.0163796622876 TCL: atom 1: phi = -0.153255888879 TCL: Center of mass = 8.37711544293 -0.492997580863 -0.0167374372709 TCL: atom 1: phi = -0.153921026687 TCL: Center of mass = 8.37831846825 -0.493243046214 -0.0170910767493 TCL: atom 1: phi = -0.154445305144 TCL: Center of mass = 8.37946756442 -0.493454184701 -0.017410837537 TCL: atom 1: phi = -0.155068076058 TCL: Center of mass = 8.38057744461 -0.4936918712 -0.017706508062 TCL: atom 1: phi = -0.155650123615 TCL: Center of mass = 8.38165599299 -0.493922303785 -0.0179594763041 TCL: atom 1: phi = -0.156424774426 TCL: Center of mass = 8.38271655671 -0.494176726826 -0.0182086475261 TCL: atom 1: phi = -0.157182009013 TCL: Center of mass = 8.3837643964 -0.494415385204 -0.0184501299225 TCL: atom 1: phi = -0.158083403811 TCL: Center of mass = 8.3848293081 -0.49470063681 -0.0187150570866 TCL: atom 1: phi = -0.158880956346 TCL: Center of mass = 8.38589058174 -0.494965838036 -0.0189766952912 TCL: atom 1: phi = -0.159694833954 TCL: Center of mass = 8.3869715153 -0.495250484093 -0.0192409373715 TCL: atom 1: phi = -0.160301033959 TCL: Center of mass = 8.38806720795 -0.495509323132 -0.0194946738824 TCL: atom 1: phi = -0.160894216826 TCL: Center of mass = 8.38918254829 -0.49578727282 -0.0197332789565 TCL: atom 1: phi = -0.161323434283 TCL: Center of mass = 8.39032770702 -0.496064888714 -0.0199621750196 TCL: atom 1: phi = -0.16180361695 TCL: Center of mass = 8.39146618749 -0.496361219885 -0.0201912005718 TCL: atom 1: phi = -0.162225928168 TCL: Center of mass = 8.39261156474 -0.496630405144 -0.0204018627543 TCL: atom 1: phi = -0.162836169596 TCL: Center of mass = 8.39376329438 -0.496909241012 -0.0206019999364 TCL: atom 1: phi = -0.163487111729 TCL: Center of mass = 8.39491603728 -0.497177590365 -0.0207933025835 TCL: atom 1: phi = -0.164397787761 TCL: Center of mass = 8.39606532118 -0.497473825766 -0.0209943001948 TCL: atom 1: phi = -0.165348363763 TCL: Center of mass = 8.39721859024 -0.497746671989 -0.0211966658822 TCL: atom 1: phi = -0.166420666328 TCL: Center of mass = 8.39837289565 -0.498036026662 -0.0213920902015 TCL: atom 1: phi = -0.167481120544 TCL: Center of mass = 8.39953310689 -0.498280228026 -0.0215846799269 TCL: atom 1: phi = -0.168657656105 TCL: Center of mass = 8.4007090748 -0.498526445256 -0.0217836597659 TCL: atom 1: phi = -0.169752653111 TCL: Center of mass = 8.40187492528 -0.498720865899 -0.0219789593647 TCL: atom 1: phi = -0.170864620743 TCL: Center of mass = 8.40304490512 -0.498891750361 -0.022173774885 TCL: atom 1: phi = -0.171864368771 TCL: Center of mass = 8.40419544989 -0.499003037899 -0.0223625900109 TCL: atom 1: phi = -0.17293404217 TCL: Center of mass = 8.40534430958 -0.499107859366 -0.0225512640252 TCL: atom 1: phi = -0.173878739285 TCL: Center of mass = 8.40646145336 -0.499171470817 -0.022724284845 TCL: atom 1: phi = -0.174840248111 TCL: Center of mass = 8.40756879777 -0.499237462149 -0.0228714917087 TCL: atom 1: phi = -0.175588432062 TCL: Center of mass = 8.40867556041 -0.499258329397 -0.0229852185038 TCL: atom 1: phi = -0.176217378048 TCL: Center of mass = 8.40978888576 -0.499287039572 -0.0230730560585 TCL: atom 1: phi = -0.176457580712 TCL: Center of mass = 8.41092228764 -0.49926699843 -0.0231440119118 TCL: atom 1: phi = -0.176546521657 TCL: Center of mass = 8.41205762842 -0.499255071569 -0.0232229946352 TCL: atom 1: phi = -0.176289194678 TCL: Center of mass = 8.41320404872 -0.499199903116 -0.0233066840705 TCL: atom 1: phi = -0.175915642624 TCL: Center of mass = 8.41436819653 -0.499143764853 -0.0233816595731 TCL: atom 1: phi = -0.175333914038 TCL: Center of mass = 8.41557845582 -0.499036600148 -0.0234539171735 TCL: atom 1: phi = -0.174793781575 TCL: Center of mass = 8.41682227463 -0.498930559816 -0.0235080306871 TCL: atom 1: phi = -0.174178736123 TCL: Center of mass = 8.41808679733 -0.498781857714 -0.0235460946949 TCL: atom 1: phi = -0.173666496139 TCL: Center of mass = 8.41937823097 -0.498608818675 -0.0235632409637 TCL: atom 1: phi = -0.173107286018 TCL: Center of mass = 8.42067728933 -0.498399327898 -0.0235737574624 TCL: atom 1: phi = -0.172689097406 TCL: Center of mass = 8.42199277436 -0.498206077389 -0.0235550207814 TCL: atom 1: phi = -0.172168196798 TCL: Center of mass = 8.42331282081 -0.497959338916 -0.0235560632706 TCL: atom 1: phi = -0.171732457341 TCL: Center of mass = 8.42466375784 -0.497693936605 -0.0235626694266 TCL: atom 1: phi = -0.171217184097 TCL: Center of mass = 8.42603649907 -0.497374607135 -0.0236009756567 TCL: atom 1: phi = -0.170864374092 TCL: Center of mass = 8.42742375925 -0.497037622323 -0.0236257129569 TCL: atom 1: phi = -0.170563662561 TCL: Center of mass = 8.42883429541 -0.496639413179 -0.0236545420236 TCL: atom 1: phi = -0.170508745753 TCL: Center of mass = 8.43027337829 -0.496242386351 -0.0236852493564 TCL: atom 1: phi = -0.170564513761 TCL: Center of mass = 8.43172413373 -0.495782561973 -0.0237374071094 TCL: atom 1: phi = -0.170873375501 TCL: Center of mass = 8.43317156156 -0.495320512786 -0.0237798548243 TCL: atom 1: phi = -0.171190451122 TCL: Center of mass = 8.4345857046 -0.494823396373 -0.0238081265921 TCL: atom 1: phi = -0.17166025016 TCL: Center of mass = 8.4359729996 -0.494331087917 -0.0238321137011 TCL: atom 1: phi = -0.172078583533 TCL: Center of mass = 8.43731467469 -0.493824289524 -0.0238482731445 TCL: atom 1: phi = -0.172517244104 TCL: Center of mass = 8.43863311977 -0.493364511171 -0.0238460676688 TCL: atom 1: phi = -0.172821464161 TCL: Center of mass = 8.43991832134 -0.492935323022 -0.0238509997397 TCL: atom 1: phi = -0.173190651431 TCL: Center of mass = 8.44120313125 -0.492560799145 -0.0238588425233 TCL: atom 1: phi = -0.173461954369 TCL: Center of mass = 8.44249630568 -0.492206875566 -0.0238964526636 TCL: atom 1: phi = -0.173790420414 TCL: Center of mass = 8.4438195616 -0.491908164894 -0.0239403080846 TCL: atom 1: phi = -0.174088776189 TCL: Center of mass = 8.44514473398 -0.491628005448 -0.0239897555314 TCL: atom 1: phi = -0.174549881276 TCL: Center of mass = 8.44647017267 -0.491380681965 -0.0240299697949 TCL: atom 1: phi = -0.175005468415 TCL: Center of mass = 8.44777951871 -0.491120842892 -0.0240678687173 TCL: atom 1: phi = -0.175579672584 TCL: Center of mass = 8.44907188046 -0.490899552558 -0.0240758775357 TCL: atom 1: phi = -0.176079664101 TCL: Center of mass = 8.45034277331 -0.49068408709 -0.0240738818637 TCL: atom 1: phi = -0.176645189143 TCL: Center of mass = 8.45158534049 -0.490490577942 -0.0240525133115 TCL: atom 1: phi = -0.177072803855 TCL: Center of mass = 8.45281679204 -0.490293109844 -0.0240497284056 TCL: atom 1: phi = -0.177537723652 TCL: Center of mass = 8.45407011425 -0.490113318532 -0.0240401611467 TCL: atom 1: phi = -0.177903388676 TCL: Center of mass = 8.45534419466 -0.48992092272 -0.0240514513374 TCL: atom 1: phi = -0.178354857682 TCL: Center of mass = 8.45664571681 -0.489743986187 -0.0240600605526 TCL: atom 1: phi = -0.178745203766 TCL: Center of mass = 8.45796833055 -0.489538692396 -0.0240953324216 TCL: atom 1: phi = -0.179226629511 TCL: Center of mass = 8.4593054063 -0.489313847128 -0.0241651355124 TCL: atom 1: phi = -0.179538342661 TCL: Center of mass = 8.46063065951 -0.48905394895 -0.0242686725851 TCL: atom 1: phi = -0.179869330977 TCL: Center of mass = 8.46195527402 -0.488768829361 -0.0243850496043 TCL: atom 1: phi = -0.180027649028 TCL: Center of mass = 8.46321912587 -0.48846039581 -0.0245286437918 TCL: atom 1: phi = -0.180101858456 TCL: Center of mass = 8.46446597336 -0.488151395288 -0.0246760796891 TCL: atom 1: phi = -0.179848701385 TCL: Center of mass = 8.46569574155 -0.487834265139 -0.0248450517141 TCL: atom 1: phi = -0.179507586773 TCL: Center of mass = 8.4669110391 -0.487525565789 -0.025006003917 TCL: atom 1: phi = -0.178885931113 TCL: Center of mass = 8.46811399555 -0.487265339829 -0.0251691333456 TCL: atom 1: phi = -0.178206043191 TCL: Center of mass = 8.46935267485 -0.487054857717 -0.0253425371316 TCL: atom 1: phi = -0.177371457989 TCL: Center of mass = 8.47060613466 -0.486870601562 -0.0255270687622 TCL: atom 1: phi = -0.17665853199 TCL: Center of mass = 8.47189036035 -0.486720703254 -0.0257115318125 TCL: atom 1: phi = -0.175855344028 TCL: Center of mass = 8.47316734506 -0.486602169862 -0.0259130844535 TCL: atom 1: phi = -0.175192539035 TCL: Center of mass = 8.47447317654 -0.486516309857 -0.0261134214471 TCL: atom 1: phi = -0.174445747274 TCL: Center of mass = 8.4757617026 -0.486459356705 -0.0263250523404 TCL: atom 1: phi = -0.173836148868 TCL: Center of mass = 8.4770598666 -0.486449576991 -0.0265268287957 TCL: atom 1: phi = -0.1731341556 TCL: Center of mass = 8.47835292876 -0.486472011003 -0.0267081472493 TCL: atom 1: phi = -0.172572607989 TCL: Center of mass = 8.47964915718 -0.486534493183 -0.0268717728587 TCL: atom 1: phi = -0.171957237914 TCL: Center of mass = 8.48095376762 -0.486616006086 -0.0270536228247 TCL: atom 1: phi = -0.171514269416 TCL: Center of mass = 8.48228492358 -0.48673600644 -0.0272348308259 TCL: atom 1: phi = -0.170979497578 TCL: Center of mass = 8.48363538369 -0.486867172875 -0.0274146729385 TCL: atom 1: phi = -0.170612163858 TCL: Center of mass = 8.48502805884 -0.487041939206 -0.027593786244 TCL: atom 1: phi = -0.170120843118 TCL: Center of mass = 8.4864487207 -0.48722450227 -0.0277745245757 TCL: atom 1: phi = -0.169814636581 TCL: Center of mass = 8.48789850793 -0.487427035499 -0.0279553659579 TCL: atom 1: phi = -0.169350072938 TCL: Center of mass = 8.48933653621 -0.48761677175 -0.0281539130944 TCL: atom 1: phi = -0.16897250826 TCL: Center of mass = 8.49079461572 -0.487813009067 -0.0283360899315 TCL: atom 1: phi = -0.168291632389 TCL: Center of mass = 8.49220840687 -0.487979768138 -0.0285307420951 TCL: atom 1: phi = -0.167569808217 TCL: Center of mass = 8.49357385146 -0.488130120727 -0.0287145302958 TCL: atom 1: phi = -0.166499852095 TCL: Center of mass = 8.49491194317 -0.488260171179 -0.0289119445629 TCL: atom 1: phi = -0.165418822429 TCL: Center of mass = 8.49623451507 -0.488395397903 -0.0290836634188 TCL: atom 1: phi = -0.164126180522 TCL: Center of mass = 8.49752528214 -0.488547861448 -0.0292550227532 TCL: atom 1: phi = -0.163032925932 TCL: Center of mass = 8.49879170684 -0.48871543327 -0.0294105064054 TCL: atom 1: phi = -0.161842458862 TCL: Center of mass = 8.50004451053 -0.488889615962 -0.0295866557725 TCL: atom 1: phi = -0.16100166487 WRITING COORDINATES TO DCD FILE AT STEP 6500 WRITING COORDINATES TO RESTART FILE AT STEP 6500 FINISHED WRITING RESTART COORDINATES TIMING: 6500 CPU: 346.33, 0.0532519/step Wall: 416.742, 0.0633193/step, 0.237448 hours remaining, 13604 kB of memory in use. ENERGY: 6500 3484.2068 2405.0453 395.5961 35.4260 -44576.2588 4050.6756 0.0000 0.0000 9790.9049 -24414.4043 290.2423 -24269.8592 -24269.0059 290.4117 640.7273 -1390.9135 125000.0000 -1287.7617 -1283.5363 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6500 WRITING VELOCITIES TO RESTART FILE AT STEP 6500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.5012905731 -0.489102201274 -0.0297340241895 TCL: atom 1: phi = -0.160164107336 TCL: Center of mass = 8.50251970943 -0.489319558232 -0.0298842056379 TCL: atom 1: phi = -0.15972069013 TCL: Center of mass = 8.50374164578 -0.489540267873 -0.0300423238453 TCL: atom 1: phi = -0.15922918733 TCL: Center of mass = 8.50494045836 -0.489766186484 -0.0302406868968 TCL: atom 1: phi = -0.159095950932 TCL: Center of mass = 8.50614117847 -0.489990477403 -0.0304498233388 TCL: atom 1: phi = -0.158810428261 TCL: Center of mass = 8.50735858025 -0.490214999667 -0.0306620825533 TCL: atom 1: phi = -0.158949485874 TCL: Center of mass = 8.50857259463 -0.490459622405 -0.0308752034711 TCL: atom 1: phi = -0.158996833414 TCL: Center of mass = 8.50979153795 -0.490711319978 -0.0310792021539 TCL: atom 1: phi = -0.159565196642 TCL: Center of mass = 8.51100698615 -0.491010317353 -0.0312660869553 TCL: atom 1: phi = -0.160167200669 TCL: Center of mass = 8.51224695505 -0.491359229154 -0.031450022913 TCL: atom 1: phi = -0.161404722186 TCL: Center of mass = 8.5135045998 -0.491761474785 -0.0316253298599 TCL: atom 1: phi = -0.162700450151 TCL: Center of mass = 8.51477239396 -0.492185743144 -0.0318176043517 TCL: atom 1: phi = -0.164595789318 TCL: Center of mass = 8.51606313071 -0.492633777526 -0.0320005146305 TCL: atom 1: phi = -0.166476710223 TCL: Center of mass = 8.51738337992 -0.493067743627 -0.0321947262866 TCL: atom 1: phi = -0.168748287512 TCL: Center of mass = 8.51870910993 -0.493496447699 -0.0323715954656 TCL: atom 1: phi = -0.170865539902 TCL: Center of mass = 8.52006890009 -0.493886456116 -0.0325733559964 TCL: atom 1: phi = -0.173160658239 TCL: Center of mass = 8.52142970375 -0.494256621251 -0.0327514340081 TCL: atom 1: phi = -0.17523632334 TCL: Center of mass = 8.52276011469 -0.49457936038 -0.0329096488678 TCL: atom 1: phi = -0.177457594534 TCL: Center of mass = 8.52404515678 -0.494884207953 -0.0330256296673 TCL: atom 1: phi = -0.179568073709 TCL: Center of mass = 8.52529050144 -0.495156520544 -0.0331065375811 TCL: atom 1: phi = -0.181844196517 TCL: Center of mass = 8.52649752326 -0.49541987715 -0.0331562309445 TCL: atom 1: phi = -0.184011368392 TCL: Center of mass = 8.52767368422 -0.495678710395 -0.0331822893076 TCL: atom 1: phi = -0.186280888314 TCL: Center of mass = 8.52884361125 -0.495934163727 -0.0331980684563 TCL: atom 1: phi = -0.188376088477 TCL: Center of mass = 8.53002825128 -0.496185423329 -0.0332273720038 TCL: atom 1: phi = -0.190500647314 TCL: Center of mass = 8.53122935664 -0.496441051236 -0.0332621031026 TCL: atom 1: phi = -0.192366135743 TCL: Center of mass = 8.53248960977 -0.496673544414 -0.0333222696449 TCL: atom 1: phi = -0.194148774393 TCL: Center of mass = 8.53377018962 -0.496892191835 -0.0333620510276 TCL: atom 1: phi = -0.195630846572 TCL: Center of mass = 8.53507160576 -0.497057272368 -0.0334035496097 TCL: atom 1: phi = -0.197103640727 TCL: Center of mass = 8.5363815129 -0.497224631146 -0.0334623156784 TCL: atom 1: phi = -0.198356849106 TCL: Center of mass = 8.53767414991 -0.497369023693 -0.0335218177326 TCL: atom 1: phi = -0.199612408659 TCL: Center of mass = 8.53895855274 -0.497527094001 -0.0335546232019 TCL: atom 1: phi = -0.200751867299 TCL: Center of mass = 8.54024228608 -0.497675311327 -0.0335850809268 TCL: atom 1: phi = -0.201971371294 TCL: Center of mass = 8.54153670694 -0.497867060723 -0.0335764365727 TCL: atom 1: phi = -0.203135867616 TCL: Center of mass = 8.54284894672 -0.498070617197 -0.0335714225431 TCL: atom 1: phi = -0.204357475443 TCL: Center of mass = 8.54422586694 -0.498291517881 -0.0335394290805 TCL: atom 1: phi = -0.205461706052 TCL: Center of mass = 8.54564996011 -0.498502815835 -0.0334915247179 TCL: atom 1: phi = -0.206594359997 TCL: Center of mass = 8.54712680329 -0.498705015566 -0.0334301515545 TCL: atom 1: phi = -0.207538774867 TCL: Center of mass = 8.54862804508 -0.498862371442 -0.0333798324536 TCL: atom 1: phi = -0.208437576395 TCL: Center of mass = 8.55013665296 -0.498978098258 -0.0333101366751 TCL: atom 1: phi = -0.209097181942 TCL: Center of mass = 8.55160798482 -0.499018587929 -0.0332014946699 TCL: atom 1: phi = -0.209767612798 TCL: Center of mass = 8.55303725557 -0.499054909397 -0.033075600145 TCL: atom 1: phi = -0.210321725631 TCL: Center of mass = 8.55442003992 -0.499035031861 -0.0329054664317 TCL: atom 1: phi = -0.210930641781 TCL: Center of mass = 8.55575822622 -0.499023424777 -0.032702024876 TCL: atom 1: phi = -0.21149125966 TCL: Center of mass = 8.55704806451 -0.498988476224 -0.0324828843336 TCL: atom 1: phi = -0.212123836236 TCL: Center of mass = 8.55832522737 -0.498967854117 -0.0322431406804 TCL: atom 1: phi = -0.212782596331 TCL: Center of mass = 8.55962025451 -0.498937954957 -0.0319937793713 TCL: atom 1: phi = -0.213447847542 TCL: Center of mass = 8.56093993008 -0.498913910025 -0.0317589399517 TCL: atom 1: phi = -0.213948506346 TCL: Center of mass = 8.56229793204 -0.498867947973 -0.0315386517184 TCL: atom 1: phi = -0.214356918249 TCL: Center of mass = 8.56367660906 -0.49880197007 -0.0313414356157 TCL: atom 1: phi = -0.21452878345 TCL: Center of mass = 8.56505348011 -0.498705809248 -0.0311650801889 TCL: atom 1: phi = -0.214608433428 TCL: Center of mass = 8.56642447048 -0.49858361635 -0.0310056533503 TCL: atom 1: phi = -0.214541958398 TCL: Center of mass = 8.56775187597 -0.49842460131 -0.0308503872284 TCL: atom 1: phi = -0.214494079383 TCL: Center of mass = 8.56905668013 -0.498272912575 -0.0307206010824 TCL: atom 1: phi = -0.214422409661 TCL: Center of mass = 8.57033238215 -0.49813087371 -0.0305901371549 TCL: atom 1: phi = -0.214409786253 TCL: Center of mass = 8.57161598084 -0.497995972146 -0.0304727316774 TCL: atom 1: phi = -0.214303694652 TCL: Center of mass = 8.57292013684 -0.497865113726 -0.030386748665 TCL: atom 1: phi = -0.214198683564 TCL: Center of mass = 8.57426867757 -0.497767838385 -0.0303232166134 TCL: atom 1: phi = -0.213898020315 TCL: Center of mass = 8.57564724555 -0.497658389226 -0.0302914045048 TCL: atom 1: phi = -0.213485100628 TCL: Center of mass = 8.57707625379 -0.49753437249 -0.0302582367874 TCL: atom 1: phi = -0.212822539088 TCL: Center of mass = 8.57854150016 -0.497355610679 -0.030237500442 TCL: atom 1: phi = -0.212126958606 TCL: Center of mass = 8.5800084934 -0.497136167407 -0.0302229554931 TCL: atom 1: phi = -0.211252355612 TCL: Center of mass = 8.58144089955 -0.496865379714 -0.0302212393986 TCL: atom 1: phi = -0.21046216597 TCL: Center of mass = 8.58285159055 -0.496577702856 -0.0301940246672 TCL: atom 1: phi = -0.209660680182 TCL: Center of mass = 8.58422508087 -0.496246785056 -0.0301437165202 TCL: atom 1: phi = -0.209031724272 TCL: Center of mass = 8.58556666815 -0.495925074982 -0.0300874660947 TCL: atom 1: phi = -0.208429858253 TCL: Center of mass = 8.58691036394 -0.495617061061 -0.0299975025488 TCL: atom 1: phi = -0.208015312284 TCL: Center of mass = 8.58828335003 -0.49533453304 -0.0298830794485 TCL: atom 1: phi = -0.207568534761 TCL: Center of mass = 8.5896779775 -0.49505468717 -0.0297508229198 TCL: atom 1: phi = -0.207281827181 TCL: Center of mass = 8.59110257163 -0.494808755021 -0.0296110930497 TCL: atom 1: phi = -0.206978884937 TCL: Center of mass = 8.59253250584 -0.494590598229 -0.0294491976954 TCL: atom 1: phi = -0.206791397073 TCL: Center of mass = 8.59395029328 -0.494387332355 -0.0292814691137 TCL: atom 1: phi = -0.206581888722 TCL: Center of mass = 8.59535674141 -0.494189245509 -0.0291201178896 TCL: atom 1: phi = -0.206646815797 TCL: Center of mass = 8.59674109667 -0.494016891215 -0.0289531275238 TCL: atom 1: phi = -0.206786314645 TCL: Center of mass = 8.59812292335 -0.493852337218 -0.0287961453979 TCL: atom 1: phi = -0.207197167819 TCL: Center of mass = 8.59949110121 -0.493699469327 -0.0286492586762 TCL: atom 1: phi = -0.20767916279 TCL: Center of mass = 8.60083339625 -0.49355058914 -0.028506536636 TCL: atom 1: phi = -0.208379717114 TCL: Center of mass = 8.60218354837 -0.493453876163 -0.0283506715009 TCL: atom 1: phi = -0.209088037212 TCL: Center of mass = 8.6035295902 -0.493389838904 -0.0282100884486 TCL: atom 1: phi = -0.209867111395 TCL: Center of mass = 8.60489560876 -0.493376496528 -0.0280918673224 TCL: atom 1: phi = -0.210429505224 TCL: Center of mass = 8.6062761636 -0.493411222721 -0.0279927118587 TCL: atom 1: phi = -0.211009177214 TCL: Center of mass = 8.60767623679 -0.493482331581 -0.0279187034658 TCL: atom 1: phi = -0.211393018027 TCL: Center of mass = 8.60909257978 -0.493562192051 -0.0278919267146 TCL: atom 1: phi = -0.211863346396 TCL: Center of mass = 8.61053858238 -0.49365097021 -0.0278941411796 TCL: atom 1: phi = -0.21227214888 TCL: Center of mass = 8.61198569078 -0.493738898927 -0.027924370918 TCL: atom 1: phi = -0.212881570519 TCL: Center of mass = 8.61343389444 -0.493818459323 -0.0279824008527 TCL: atom 1: phi = -0.213427723122 TCL: Center of mass = 8.6148816942 -0.493872713998 -0.0281036207395 TCL: atom 1: phi = -0.21411054779 TCL: Center of mass = 8.61631224281 -0.493941224405 -0.0282627595741 TCL: atom 1: phi = -0.214698168527 TCL: Center of mass = 8.61773070846 -0.494000730096 -0.0284302018914 TCL: atom 1: phi = -0.215343067714 TCL: Center of mass = 8.61913416917 -0.49408934069 -0.0286278068428 TCL: atom 1: phi = -0.215764080339 TCL: Center of mass = 8.62051359686 -0.494201936355 -0.0288717664998 TCL: atom 1: phi = -0.216192582511 TCL: Center of mass = 8.62187889029 -0.494345807271 -0.0291262585006 TCL: atom 1: phi = -0.216360136297 TCL: Center of mass = 8.62326783032 -0.494474345903 -0.0294091054198 TCL: atom 1: phi = -0.216561328807 TCL: Center of mass = 8.62466622672 -0.494634198138 -0.0297162643634 TCL: atom 1: phi = -0.216670528676 TCL: Center of mass = 8.62608770765 -0.494777362534 -0.0300573908121 TCL: atom 1: phi = -0.216948131162 TCL: Center of mass = 8.6274754078 -0.494913237621 -0.0304283991951 TCL: atom 1: phi = -0.217186643017 TCL: Center of mass = 8.6288401068 -0.495011668091 -0.0308342278086 TCL: atom 1: phi = -0.217575286179 TCL: Center of mass = 8.63018053128 -0.495105313195 -0.031261648798 TCL: atom 1: phi = -0.217844451297 TCL: Center of mass = 8.63150159435 -0.495200131257 -0.0316848754776 TCL: atom 1: phi = -0.218157076945 TCL: Center of mass = 8.63281705861 -0.495302753937 -0.0320899030992 TCL: atom 1: phi = -0.21825145586 TCL: Center of mass = 8.63411145438 -0.495438886572 -0.03250259533 TCL: atom 1: phi = -0.218221881482 WRITING COORDINATES TO DCD FILE AT STEP 6600 WRITING COORDINATES TO RESTART FILE AT STEP 6600 FINISHED WRITING RESTART COORDINATES TIMING: 6600 CPU: 351.666, 0.0533519/step Wall: 423.039, 0.0629696/step, 0.234387 hours remaining, 13604 kB of memory in use. ENERGY: 6600 3376.4918 2546.8191 401.2929 34.7292 -44767.5035 4176.8210 0.0000 0.0000 9791.2990 -24440.0505 290.2539 -24296.2582 -24291.4559 290.2430 887.4487 -1205.2890 125000.0000 -1166.4945 -1166.1870 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6600 WRITING VELOCITIES TO RESTART FILE AT STEP 6600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.63542798424 -0.495599802463 -0.0328732741526 TCL: atom 1: phi = -0.217947426909 TCL: Center of mass = 8.63678742016 -0.495800400766 -0.0332405494753 TCL: atom 1: phi = -0.217647393149 TCL: Center of mass = 8.63819224465 -0.496018175335 -0.0335742078534 TCL: atom 1: phi = -0.217296765831 TCL: Center of mass = 8.63966314027 -0.496225885044 -0.0339143181368 TCL: atom 1: phi = -0.217082271233 TCL: Center of mass = 8.64117063341 -0.496414424854 -0.0342565703404 TCL: atom 1: phi = -0.216954865163 TCL: Center of mass = 8.64272754092 -0.496581097506 -0.0346002562196 TCL: atom 1: phi = -0.216978232847 TCL: Center of mass = 8.64429530953 -0.496699352608 -0.0349653389219 TCL: atom 1: phi = -0.217032511308 TCL: Center of mass = 8.64587455383 -0.496780403844 -0.0353203452596 TCL: atom 1: phi = -0.217170248979 TCL: Center of mass = 8.64746306898 -0.496848302257 -0.0356519132033 TCL: atom 1: phi = -0.217196777375 TCL: Center of mass = 8.64906130107 -0.496900579303 -0.0359678284364 TCL: atom 1: phi = -0.217193997218 TCL: Center of mass = 8.65065539713 -0.496961213624 -0.0362771239629 TCL: atom 1: phi = -0.217038822313 TCL: Center of mass = 8.65222382732 -0.497034528416 -0.0365732276713 TCL: atom 1: phi = -0.216859952818 TCL: Center of mass = 8.65377181904 -0.497112567188 -0.0368657697917 TCL: atom 1: phi = -0.216604648583 TCL: Center of mass = 8.65530492499 -0.497174346451 -0.0371896501341 TCL: atom 1: phi = -0.216419637796 TCL: Center of mass = 8.65682094076 -0.497216728417 -0.0375089154899 TCL: atom 1: phi = -0.216273046373 TCL: Center of mass = 8.65833516134 -0.497229768831 -0.0378536438803 TCL: atom 1: phi = -0.216280812433 TCL: Center of mass = 8.65985278831 -0.49720880362 -0.0382315430376 TCL: atom 1: phi = -0.216217926142 TCL: Center of mass = 8.66136030614 -0.497174223129 -0.0386230935113 TCL: atom 1: phi = -0.216205729676 TCL: Center of mass = 8.66285304108 -0.497154488382 -0.0390122100774 TCL: atom 1: phi = -0.21605020016 TCL: Center of mass = 8.66434118162 -0.49716118906 -0.0393676734545 TCL: atom 1: phi = -0.215840225127 TCL: Center of mass = 8.66580652517 -0.497228634435 -0.0396989256394 TCL: atom 1: phi = -0.215364700568 TCL: Center of mass = 8.66727542726 -0.497315038956 -0.0400172503413 TCL: atom 1: phi = -0.214767286158 TCL: Center of mass = 8.66875312145 -0.497467935737 -0.0403065086328 TCL: atom 1: phi = -0.213959562209 TCL: Center of mass = 8.67025943895 -0.497652139813 -0.0405678155787 TCL: atom 1: phi = -0.213223926439 TCL: Center of mass = 8.67180114822 -0.497857423418 -0.0408095760613 TCL: atom 1: phi = -0.212462003537 TCL: Center of mass = 8.67339120738 -0.498084764873 -0.041040902803 TCL: atom 1: phi = -0.211831250435 TCL: Center of mass = 8.67505180882 -0.498308371818 -0.0412580489637 TCL: atom 1: phi = -0.211180830112 TCL: Center of mass = 8.67676733419 -0.498512347208 -0.0414716079286 TCL: atom 1: phi = -0.21050186485 TCL: Center of mass = 8.67854281596 -0.498745016345 -0.0416647862835 TCL: atom 1: phi = -0.20955469939 TCL: Center of mass = 8.68034753553 -0.498983000174 -0.0418319965543 TCL: atom 1: phi = -0.20848498664 TCL: Center of mass = 8.68217476236 -0.499240305828 -0.0419743393134 TCL: atom 1: phi = -0.207126949914 TCL: Center of mass = 8.68400147173 -0.49950110662 -0.0421120185875 TCL: atom 1: phi = -0.205613514417 TCL: Center of mass = 8.68580812945 -0.499774266588 -0.0422533362535 TCL: atom 1: phi = -0.203948868345 TCL: Center of mass = 8.68762016114 -0.5000525969 -0.0424057155569 TCL: atom 1: phi = -0.202296180086 TCL: Center of mass = 8.68942377812 -0.500343951522 -0.0425457698797 TCL: atom 1: phi = -0.200641266978 TCL: Center of mass = 8.69124613024 -0.500626517963 -0.042705393554 TCL: atom 1: phi = -0.199189309952 TCL: Center of mass = 8.6930490627 -0.500893673362 -0.0428708411539 TCL: atom 1: phi = -0.197798643943 TCL: Center of mass = 8.69486020216 -0.501150156952 -0.0430612573998 TCL: atom 1: phi = -0.196625325195 TCL: Center of mass = 8.69668400969 -0.501412943781 -0.0432783227946 TCL: atom 1: phi = -0.195451404746 TCL: Center of mass = 8.69851937893 -0.501685351875 -0.0435204712375 TCL: atom 1: phi = -0.194401910198 TCL: Center of mass = 8.70034696689 -0.501960724101 -0.0437686076804 TCL: atom 1: phi = -0.193219332325 TCL: Center of mass = 8.70217807933 -0.502249331486 -0.0440424953436 TCL: atom 1: phi = -0.192098858105 TCL: Center of mass = 8.70401018986 -0.50255107008 -0.0443378152209 TCL: atom 1: phi = -0.190863993909 TCL: Center of mass = 8.70583789698 -0.502867963013 -0.0446524330572 TCL: atom 1: phi = -0.18975824206 TCL: Center of mass = 8.70764316734 -0.503213803839 -0.0449574203969 TCL: atom 1: phi = -0.188686199428 TCL: Center of mass = 8.70947732582 -0.503583584732 -0.0452883389922 TCL: atom 1: phi = -0.187923143476 TCL: Center of mass = 8.71133348212 -0.503995959847 -0.045615651978 TCL: atom 1: phi = -0.187214149701 TCL: Center of mass = 8.71321113548 -0.504421433677 -0.045959754496 TCL: atom 1: phi = -0.18675029489 TCL: Center of mass = 8.71511105235 -0.504849103484 -0.0463225592521 TCL: atom 1: phi = -0.186224791151 TCL: Center of mass = 8.71704735316 -0.505283069971 -0.0467211455992 TCL: atom 1: phi = -0.185787778307 TCL: Center of mass = 8.71902452244 -0.505716063617 -0.0471254235124 TCL: atom 1: phi = -0.185140884829 TCL: Center of mass = 8.72101994272 -0.5061200744 -0.0475281772068 TCL: atom 1: phi = -0.184469587521 TCL: Center of mass = 8.72302823779 -0.506482749903 -0.0479347342948 TCL: atom 1: phi = -0.183592648082 TCL: Center of mass = 8.72503688368 -0.506824320427 -0.0483438926829 TCL: atom 1: phi = -0.182843324058 TCL: Center of mass = 8.7270484353 -0.507165103901 -0.0487317192934 TCL: atom 1: phi = -0.181984057901 TCL: Center of mass = 8.72902283328 -0.507454038757 -0.0491219214929 TCL: atom 1: phi = -0.181452149671 TCL: Center of mass = 8.73097665912 -0.507727053426 -0.0494699976641 TCL: atom 1: phi = -0.180928064294 TCL: Center of mass = 8.73291163397 -0.507963004213 -0.0498040948679 TCL: atom 1: phi = -0.180753456855 TCL: Center of mass = 8.73483474923 -0.508194893629 -0.0501184533724 TCL: atom 1: phi = -0.180644810331 TCL: Center of mass = 8.73675283132 -0.508388022946 -0.0504038154322 TCL: atom 1: phi = -0.180840950253 TCL: Center of mass = 8.73867417902 -0.508594958426 -0.0506723185397 TCL: atom 1: phi = -0.180866060833 TCL: Center of mass = 8.74058733836 -0.508787476549 -0.0509425835904 TCL: atom 1: phi = -0.181035864444 TCL: Center of mass = 8.74251693958 -0.50897575505 -0.051204168466 TCL: atom 1: phi = -0.181030715575 TCL: Center of mass = 8.74443429507 -0.509137948521 -0.0514599001215 TCL: atom 1: phi = -0.18117727082 TCL: Center of mass = 8.7463348985 -0.50931629978 -0.0516891425056 TCL: atom 1: phi = -0.181174635959 TCL: Center of mass = 8.74821787212 -0.509470170056 -0.0519231786547 TCL: atom 1: phi = -0.181436304557 TCL: Center of mass = 8.75009308967 -0.509649296712 -0.0521386734363 TCL: atom 1: phi = -0.181625373363 TCL: Center of mass = 8.7519648697 -0.509814703673 -0.0523294250858 TCL: atom 1: phi = -0.182107064177 TCL: Center of mass = 8.75383511357 -0.510044123031 -0.0524933458091 TCL: atom 1: phi = -0.182382025388 TCL: Center of mass = 8.75571735105 -0.510292129258 -0.0526522983121 TCL: atom 1: phi = -0.182731258656 TCL: Center of mass = 8.75763037161 -0.510566403645 -0.052808046718 TCL: atom 1: phi = -0.182715664413 TCL: Center of mass = 8.75957278765 -0.510842416036 -0.0529714748891 TCL: atom 1: phi = -0.182591816118 TCL: Center of mass = 8.7615632089 -0.511120781698 -0.0531639073714 TCL: atom 1: phi = -0.181991911607 TCL: Center of mass = 8.76359403378 -0.511363608192 -0.0534016461691 TCL: atom 1: phi = -0.181297662103 TCL: Center of mass = 8.76565572493 -0.511582718561 -0.0536504810876 TCL: atom 1: phi = -0.180220645153 TCL: Center of mass = 8.7677151774 -0.511769694133 -0.0539082453147 TCL: atom 1: phi = -0.179407381397 TCL: Center of mass = 8.76976506052 -0.511962125974 -0.0541579766549 TCL: atom 1: phi = -0.178472573729 TCL: Center of mass = 8.77178445869 -0.512113722619 -0.0544149482121 TCL: atom 1: phi = -0.177833012495 TCL: Center of mass = 8.77377791132 -0.512264478451 -0.0546753274751 TCL: atom 1: phi = -0.177104221167 TCL: Center of mass = 8.77572604403 -0.512382990396 -0.0549356882708 TCL: atom 1: phi = -0.176560887142 TCL: Center of mass = 8.77767339435 -0.512491613762 -0.0552093314765 TCL: atom 1: phi = -0.175812795648 TCL: Center of mass = 8.77960737652 -0.512570505776 -0.0555230849454 TCL: atom 1: phi = -0.175156911088 TCL: Center of mass = 8.78156198399 -0.512646350985 -0.055861066404 TCL: atom 1: phi = -0.174240963228 TCL: Center of mass = 8.78349731907 -0.512673360892 -0.0562461606312 TCL: atom 1: phi = -0.173397489368 TCL: Center of mass = 8.78542139888 -0.512704466067 -0.0566655070043 TCL: atom 1: phi = -0.172305411002 TCL: Center of mass = 8.78732369999 -0.512689323689 -0.0571278552633 TCL: atom 1: phi = -0.171369858928 TCL: Center of mass = 8.78922371488 -0.512674145577 -0.057625107678 TCL: atom 1: phi = -0.170246890874 TCL: Center of mass = 8.79108440358 -0.512651933801 -0.0581131051013 TCL: atom 1: phi = -0.169325888231 TCL: Center of mass = 8.79293878009 -0.512667488162 -0.0585899346771 TCL: atom 1: phi = -0.168155261974 TCL: Center of mass = 8.79476689186 -0.51269815947 -0.0590633283537 TCL: atom 1: phi = -0.167059302225 TCL: Center of mass = 8.79659225178 -0.512791264526 -0.0595391756307 TCL: atom 1: phi = -0.165567487899 TCL: Center of mass = 8.79840547325 -0.512895605063 -0.0600054056856 TCL: atom 1: phi = -0.163989921262 TCL: Center of mass = 8.80023262206 -0.513028583082 -0.0604614577559 TCL: atom 1: phi = -0.161925788724 TCL: Center of mass = 8.80205786453 -0.513170313673 -0.0609107561242 TCL: atom 1: phi = -0.159754241124 TCL: Center of mass = 8.80391028188 -0.513319064525 -0.0613885339224 TCL: atom 1: phi = -0.157192702218 TCL: Center of mass = 8.80576233511 -0.513420897328 -0.0618690232407 TCL: atom 1: phi = -0.154834959329 TCL: Center of mass = 8.80764061213 -0.513516695957 -0.0623760842325 TCL: atom 1: phi = -0.152506526342 TCL: Center of mass = 8.8095052597 -0.513604904048 -0.0628605544368 TCL: atom 1: phi = -0.150635983828 TCL: Center of mass = 8.81136516968 -0.513701394456 -0.0633050694288 TCL: atom 1: phi = -0.148804103281 TCL: Center of mass = 8.81320741511 -0.513809450631 -0.0637193266743 TCL: atom 1: phi = -0.14746591448 WRITING COORDINATES TO DCD FILE AT STEP 6700 WRITING COORDINATES TO RESTART FILE AT STEP 6700 FINISHED WRITING RESTART COORDINATES TIMING: 6700 CPU: 357.006, 0.0534019/step Wall: 429.358, 0.0631933/step, 0.233464 hours remaining, 13604 kB of memory in use. ENERGY: 6700 3444.5150 2469.5390 392.7788 40.5178 -44637.9476 4153.3697 0.0000 0.0000 9741.7829 -24395.4445 288.7861 -24248.8523 -24256.0562 290.2997 1255.1269 -1077.6463 125000.0000 -1259.1715 -1261.1973 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6700 WRITING VELOCITIES TO RESTART FILE AT STEP 6700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.81503464184 -0.513953256355 -0.0641189845765 TCL: atom 1: phi = -0.14621123151 TCL: Center of mass = 8.81682692502 -0.514097840547 -0.0644869247047 TCL: atom 1: phi = -0.145327186906 TCL: Center of mass = 8.81859508354 -0.514247689092 -0.0648411129016 TCL: atom 1: phi = -0.144437487718 TCL: Center of mass = 8.82034426249 -0.514381400817 -0.0651791844195 TCL: atom 1: phi = -0.14384974438 TCL: Center of mass = 8.8220958308 -0.51448005224 -0.0655055134277 TCL: atom 1: phi = -0.143260688461 TCL: Center of mass = 8.82384201803 -0.514530787722 -0.0658293332966 TCL: atom 1: phi = -0.143106931955 TCL: Center of mass = 8.82560076843 -0.514549593754 -0.0661501478378 TCL: atom 1: phi = -0.142951985341 TCL: Center of mass = 8.82734619217 -0.514522025772 -0.0664676192713 TCL: atom 1: phi = -0.143173871106 TCL: Center of mass = 8.82910562193 -0.514486814542 -0.06676429999 TCL: atom 1: phi = -0.143348269493 TCL: Center of mass = 8.83082772975 -0.514428195108 -0.0670156477621 TCL: atom 1: phi = -0.143700654717 TCL: Center of mass = 8.83254479261 -0.514374861326 -0.067248963615 TCL: atom 1: phi = -0.143841471543 TCL: Center of mass = 8.834213306 -0.514328222124 -0.0674256363485 TCL: atom 1: phi = -0.143990369451 TCL: Center of mass = 8.83586986053 -0.514306243355 -0.0675785310845 TCL: atom 1: phi = -0.143735512089 TCL: Center of mass = 8.83750165621 -0.514279369953 -0.0677157699591 TCL: atom 1: phi = -0.143414942827 TCL: Center of mass = 8.8391426692 -0.514249443012 -0.0678340489231 TCL: atom 1: phi = -0.142742964676 TCL: Center of mass = 8.84079122536 -0.514221957332 -0.0679585432583 TCL: atom 1: phi = -0.142217803427 TCL: Center of mass = 8.84247709046 -0.514203315609 -0.0680771240544 TCL: atom 1: phi = -0.141571157141 TCL: Center of mass = 8.84418623387 -0.514196697029 -0.0682047059428 TCL: atom 1: phi = -0.141193032564 TCL: Center of mass = 8.84591850136 -0.514198885621 -0.0683536391123 TCL: atom 1: phi = -0.140806165443 TCL: Center of mass = 8.84766792646 -0.514193991211 -0.0685146147214 TCL: atom 1: phi = -0.140719861383 TCL: Center of mass = 8.84942904118 -0.514208056743 -0.0686789321501 TCL: atom 1: phi = -0.140606640494 TCL: Center of mass = 8.85117049918 -0.514243575341 -0.0688493744993 TCL: atom 1: phi = -0.140752047122 TCL: Center of mass = 8.85291751775 -0.514312028751 -0.0690107231321 TCL: atom 1: phi = -0.14075503397 TCL: Center of mass = 8.85463897753 -0.514413048706 -0.0691690637067 TCL: atom 1: phi = -0.140941749897 TCL: Center of mass = 8.85635320177 -0.514552572358 -0.0693361726833 TCL: atom 1: phi = -0.14098024056 TCL: Center of mass = 8.85806762747 -0.514698220477 -0.0695064094234 TCL: atom 1: phi = -0.141174590838 TCL: Center of mass = 8.85976984991 -0.514873660566 -0.0696728922511 TCL: atom 1: phi = -0.141273208544 TCL: Center of mass = 8.86145880456 -0.515056944458 -0.0698366832165 TCL: atom 1: phi = -0.141611292214 TCL: Center of mass = 8.86315141169 -0.515254911988 -0.0700183055694 TCL: atom 1: phi = -0.14180712933 TCL: Center of mass = 8.86480908683 -0.51545581205 -0.0702263875076 TCL: atom 1: phi = -0.142155993022 TCL: Center of mass = 8.86644069476 -0.515652136895 -0.0704456396557 TCL: atom 1: phi = -0.14230329263 TCL: Center of mass = 8.86802492271 -0.515844415406 -0.0706700193548 TCL: atom 1: phi = -0.142438575846 TCL: Center of mass = 8.8695654505 -0.516045634964 -0.0708970046779 TCL: atom 1: phi = -0.14221322665 TCL: Center of mass = 8.8710446523 -0.51625510926 -0.0711001283219 TCL: atom 1: phi = -0.141879858518 TCL: Center of mass = 8.87250041023 -0.516462740289 -0.0713030428466 TCL: atom 1: phi = -0.141146404126 TCL: Center of mass = 8.87389997118 -0.516665378984 -0.0715038017735 TCL: atom 1: phi = -0.140428301582 TCL: Center of mass = 8.87530301857 -0.516864680448 -0.0717104072826 TCL: atom 1: phi = -0.139646536422 TCL: Center of mass = 8.87669015995 -0.517061387133 -0.0719269855264 TCL: atom 1: phi = -0.139082676412 TCL: Center of mass = 8.87808817904 -0.517249927712 -0.0721687309496 TCL: atom 1: phi = -0.138574417194 TCL: Center of mass = 8.87950745123 -0.517425354745 -0.0724075133598 TCL: atom 1: phi = -0.13828662377 TCL: Center of mass = 8.88096987766 -0.517604921014 -0.0726442285412 TCL: atom 1: phi = -0.138104803822 TCL: Center of mass = 8.88243882465 -0.51776898722 -0.0729009648214 TCL: atom 1: phi = -0.138128220552 TCL: Center of mass = 8.88396111207 -0.517928343785 -0.0731664878741 TCL: atom 1: phi = -0.138138510291 TCL: Center of mass = 8.88550326877 -0.518077273259 -0.0734280421543 TCL: atom 1: phi = -0.13829144213 TCL: Center of mass = 8.88703207018 -0.518219010554 -0.0736685552543 TCL: atom 1: phi = -0.138396226179 TCL: Center of mass = 8.88856920866 -0.518368110657 -0.0738760627735 TCL: atom 1: phi = -0.138645301445 TCL: Center of mass = 8.89008882506 -0.518547497149 -0.0740490999158 TCL: atom 1: phi = -0.138812586485 TCL: Center of mass = 8.89161348224 -0.518757763963 -0.074191171818 TCL: atom 1: phi = -0.13913485169 TCL: Center of mass = 8.8931321595 -0.518981359754 -0.0743143976588 TCL: atom 1: phi = -0.13939675431 TCL: Center of mass = 8.89466008111 -0.519217551893 -0.0744022537416 TCL: atom 1: phi = -0.139757029894 TCL: Center of mass = 8.89623436772 -0.519447969946 -0.0744909283687 TCL: atom 1: phi = -0.139997257413 TCL: Center of mass = 8.89782101841 -0.519654632014 -0.0745683754308 TCL: atom 1: phi = -0.140146865546 TCL: Center of mass = 8.89943076096 -0.519869676945 -0.0746475551592 TCL: atom 1: phi = -0.139944556226 TCL: Center of mass = 8.90102001659 -0.520059761166 -0.0747333420932 TCL: atom 1: phi = -0.139487725463 TCL: Center of mass = 8.90261820053 -0.520249945818 -0.0748282943972 TCL: atom 1: phi = -0.13865116199 TCL: Center of mass = 8.90420756258 -0.520445613434 -0.0749092131046 TCL: atom 1: phi = -0.137605658161 TCL: Center of mass = 8.90577483217 -0.520664040802 -0.0749581026664 TCL: atom 1: phi = -0.13630874273 TCL: Center of mass = 8.90731123053 -0.520885315315 -0.0750025157289 TCL: atom 1: phi = -0.135091239857 TCL: Center of mass = 8.90883747025 -0.521144021541 -0.0750382902883 TCL: atom 1: phi = -0.133801146889 TCL: Center of mass = 8.91036326115 -0.521399553608 -0.0750775242766 TCL: atom 1: phi = -0.132774109066 TCL: Center of mass = 8.91191751889 -0.521649608374 -0.0751425749296 TCL: atom 1: phi = -0.131733810474 TCL: Center of mass = 8.91351180082 -0.521869691462 -0.0752046184885 TCL: atom 1: phi = -0.130891271282 TCL: Center of mass = 8.9151618397 -0.522059733938 -0.075301027451 TCL: atom 1: phi = -0.130098555448 TCL: Center of mass = 8.91685803256 -0.522224153992 -0.0754217760588 TCL: atom 1: phi = -0.129567747172 TCL: Center of mass = 8.91859240793 -0.52239051397 -0.0755606986764 TCL: atom 1: phi = -0.129008443623 TCL: Center of mass = 8.92032034604 -0.522546303516 -0.075715473363 TCL: atom 1: phi = -0.128693097239 TCL: Center of mass = 8.92204928507 -0.52271976677 -0.0758684037884 TCL: atom 1: phi = -0.128383179449 TCL: Center of mass = 8.9237927182 -0.52291328015 -0.076009865857 TCL: atom 1: phi = -0.12839740266 TCL: Center of mass = 8.92553449032 -0.5231667683 -0.0761470164059 TCL: atom 1: phi = -0.128545499082 TCL: Center of mass = 8.92727633232 -0.523440626398 -0.0762621907788 TCL: atom 1: phi = -0.129052465971 TCL: Center of mass = 8.92902573803 -0.523758267968 -0.07638816032 TCL: atom 1: phi = -0.129617995218 TCL: Center of mass = 8.93078897993 -0.524069862598 -0.0765361125641 TCL: atom 1: phi = -0.130389043472 TCL: Center of mass = 8.93256303026 -0.524398174114 -0.0766977323939 TCL: atom 1: phi = -0.131023860119 TCL: Center of mass = 8.93434938977 -0.524711709214 -0.0768634641496 TCL: atom 1: phi = -0.131622985762 TCL: Center of mass = 8.93614534116 -0.525031852984 -0.0770387711996 TCL: atom 1: phi = -0.131919852744 TCL: Center of mass = 8.93794366255 -0.525329496004 -0.0772448108158 TCL: atom 1: phi = -0.132174772046 TCL: Center of mass = 8.93975162679 -0.525644533074 -0.0774433920704 TCL: atom 1: phi = -0.13225648924 TCL: Center of mass = 8.94155351824 -0.52596987346 -0.0776467603857 TCL: atom 1: phi = -0.132376656035 TCL: Center of mass = 8.94334728407 -0.526342916308 -0.0778535098542 TCL: atom 1: phi = -0.132414288936 TCL: Center of mass = 8.94513390308 -0.52674038608 -0.0780392100684 TCL: atom 1: phi = -0.13258213196 TCL: Center of mass = 8.94689890308 -0.527162779512 -0.0782023870474 TCL: atom 1: phi = -0.132723454539 TCL: Center of mass = 8.94865294608 -0.527605926659 -0.0783526608211 TCL: atom 1: phi = -0.132991615569 TCL: Center of mass = 8.95042210507 -0.52804502674 -0.0785163726369 TCL: atom 1: phi = -0.133162815467 TCL: Center of mass = 8.95218061708 -0.528462974067 -0.0786813562894 TCL: atom 1: phi = -0.133345421585 TCL: Center of mass = 8.95395046687 -0.528856657645 -0.0788460841718 TCL: atom 1: phi = -0.133435542762 TCL: Center of mass = 8.95573292558 -0.529232902457 -0.0789845641741 TCL: atom 1: phi = -0.133622027778 TCL: Center of mass = 8.95750665408 -0.529606007474 -0.0791113229115 TCL: atom 1: phi = -0.133788671874 TCL: Center of mass = 8.95927379653 -0.529985515118 -0.079220870695 TCL: atom 1: phi = -0.13413520258 TCL: Center of mass = 8.96104800527 -0.530400930376 -0.0792881223948 TCL: atom 1: phi = -0.134582433318 TCL: Center of mass = 8.96278581302 -0.530823332874 -0.0792959541862 TCL: atom 1: phi = -0.135233951162 TCL: Center of mass = 8.9645017376 -0.531289225571 -0.0792729737412 TCL: atom 1: phi = -0.135922610124 TCL: Center of mass = 8.96618714669 -0.531738728077 -0.0792236569682 TCL: atom 1: phi = -0.136730536658 TCL: Center of mass = 8.96788076957 -0.532189624712 -0.0791726568285 TCL: atom 1: phi = -0.137382443828 TCL: Center of mass = 8.96956151076 -0.532607691367 -0.0791284909753 TCL: atom 1: phi = -0.137904050983 TCL: Center of mass = 8.97127265365 -0.533010625915 -0.079095340914 TCL: atom 1: phi = -0.138082467713 TCL: Center of mass = 8.97300363228 -0.53337298134 -0.0790748404492 TCL: atom 1: phi = -0.138067908293 TCL: Center of mass = 8.97476366289 -0.533703419966 -0.0790612554411 TCL: atom 1: phi = -0.137772580601 TCL: Center of mass = 8.97652537083 -0.533999715383 -0.0790278717513 TCL: atom 1: phi = -0.137439309673 TCL: Center of mass = 8.97830142532 -0.53429984863 -0.0789752128356 TCL: atom 1: phi = -0.137062974169 TCL: Center of mass = 8.98006862122 -0.534595716368 -0.0788883908422 TCL: atom 1: phi = -0.136835760826 WRITING COORDINATES TO DCD FILE AT STEP 6800 WRITING COORDINATES TO RESTART FILE AT STEP 6800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6800 FINISHED WRITING RESTART VELOCITIES TIMING: 6800 CPU: 362.342, 0.0533619/step Wall: 435.647, 0.0628914/step, 0.230602 hours remaining, 13604 kB of memory in use. ENERGY: 6800 3385.1372 2438.1308 393.3152 40.0423 -44291.8669 3881.4524 0.0000 0.0000 9758.1814 -24395.6076 289.2722 -24250.8424 -24252.3752 289.8247 511.9716 -1976.6914 125000.0000 -1314.8989 -1313.7570 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6800 TCL: Center of mass = 8.98184736029 -0.534906608258 -0.0787764998799 TCL: atom 1: phi = -0.136652814605 TCL: Center of mass = 8.98362333111 -0.535214016173 -0.0786580508749 TCL: atom 1: phi = -0.136623312767 TCL: Center of mass = 8.98540516614 -0.535523855378 -0.0785238530211 TCL: atom 1: phi = -0.136570272956 TCL: Center of mass = 8.98719176142 -0.535837638406 -0.0783781520102 TCL: atom 1: phi = -0.136574212448 TCL: Center of mass = 8.98898042022 -0.536143385189 -0.0782091537886 TCL: atom 1: phi = -0.136496704195 TCL: Center of mass = 8.99079983351 -0.536423552323 -0.0780525051432 TCL: atom 1: phi = -0.136446733172 TCL: Center of mass = 8.99264489374 -0.536706022572 -0.0779068024027 TCL: atom 1: phi = -0.136367284594 TCL: Center of mass = 8.99451937284 -0.536970311051 -0.0777705842531 TCL: atom 1: phi = -0.136423888218 TCL: Center of mass = 8.9963958961 -0.537251566628 -0.0776610551886 TCL: atom 1: phi = -0.136491025777 TCL: Center of mass = 8.99827900552 -0.537544954219 -0.0775680274658 TCL: atom 1: phi = -0.136748561555 TCL: Center of mass = 9.00013499834 -0.537868109597 -0.0774855231289 TCL: atom 1: phi = -0.137065007579 TCL: Center of mass = 9.00196547873 -0.538215779876 -0.0774216703137 TCL: atom 1: phi = -0.137483940278 TCL: Center of mass = 9.00376606397 -0.53860777142 -0.0773664801777 TCL: atom 1: phi = -0.13779707616 TCL: Center of mass = 9.00554463789 -0.53902606427 -0.077331841369 TCL: atom 1: phi = -0.137948503298 TCL: Center of mass = 9.0072817882 -0.539493628424 -0.077327301169 TCL: atom 1: phi = -0.137715147206 TCL: Center of mass = 9.00899230268 -0.539966391851 -0.0773352647088 TCL: atom 1: phi = -0.137156507819 TCL: Center of mass = 9.01066314711 -0.540472333405 -0.0773574384816 TCL: atom 1: phi = -0.136157193466 TCL: Center of mass = 9.01233262104 -0.540945317499 -0.0774193743258 TCL: atom 1: phi = -0.134922608174 TCL: Center of mass = 9.01397064789 -0.541424734608 -0.0774927221651 TCL: atom 1: phi = -0.133441194918 TCL: Center of mass = 9.01558957523 -0.541879268254 -0.0775686649123 TCL: atom 1: phi = -0.132009265778 TCL: Center of mass = 9.01717403317 -0.542313508679 -0.0776416403412 TCL: atom 1: phi = -0.130542600971 TCL: Center of mass = 9.01872343901 -0.54268895549 -0.0777098081806 TCL: atom 1: phi = -0.129136949083 TCL: Center of mass = 9.02024176171 -0.543041421764 -0.077752938542 TCL: atom 1: phi = -0.127699215954 TCL: Center of mass = 9.02174218733 -0.543364588269 -0.077753588477 TCL: atom 1: phi = -0.126378930261 TCL: Center of mass = 9.02322591626 -0.543673279136 -0.0777342907019 TCL: atom 1: phi = -0.124922387439 TCL: Center of mass = 9.02470561038 -0.543947343057 -0.0776923003607 TCL: atom 1: phi = -0.123549005434 TCL: Center of mass = 9.02618977594 -0.54420036693 -0.0776248025629 TCL: atom 1: phi = -0.122147606679 TCL: Center of mass = 9.02767926004 -0.544402689104 -0.0775399193858 TCL: atom 1: phi = -0.120986592465 TCL: Center of mass = 9.02919591805 -0.544584011098 -0.0774559345211 TCL: atom 1: phi = -0.119931987503 TCL: Center of mass = 9.03072220853 -0.544721958959 -0.0773866607578 TCL: atom 1: phi = -0.119274010922 TCL: Center of mass = 9.03226121917 -0.544831670379 -0.0773279473386 TCL: atom 1: phi = -0.118920014329 TCL: Center of mass = 9.03381466654 -0.544907200956 -0.0772957002154 TCL: atom 1: phi = -0.119043885952 TCL: Center of mass = 9.03537759659 -0.54497662724 -0.0772948409026 TCL: atom 1: phi = -0.11927840129 TCL: Center of mass = 9.03693052257 -0.545024586486 -0.0773348889665 TCL: atom 1: phi = -0.119697556018 TCL: Center of mass = 9.03847966819 -0.545076524593 -0.0774121215053 TCL: atom 1: phi = -0.119986922356 TCL: Center of mass = 9.03999513519 -0.545132288976 -0.0775202945132 TCL: atom 1: phi = -0.120185867192 TCL: Center of mass = 9.04149079198 -0.545203020661 -0.0776264638496 TCL: atom 1: phi = -0.120024036099 TCL: Center of mass = 9.04297076365 -0.545295331634 -0.0777326325344 TCL: atom 1: phi = -0.11971823609 TCL: Center of mass = 9.04443453057 -0.545390733892 -0.0778327397898 TCL: atom 1: phi = -0.119144685225 TCL: Center of mass = 9.0458852141 -0.54549530641 -0.0779322816955 TCL: atom 1: phi = -0.118539124602 TCL: Center of mass = 9.0473249278 -0.545581508636 -0.0780340847089 TCL: atom 1: phi = -0.11784263597 TCL: Center of mass = 9.04874622684 -0.545647151743 -0.0781406641026 TCL: atom 1: phi = -0.117233113747 TCL: Center of mass = 9.05016130699 -0.545677267735 -0.0782472600119 TCL: atom 1: phi = -0.116555576069 TCL: Center of mass = 9.05156156653 -0.545689306592 -0.0783551625935 TCL: atom 1: phi = -0.115923139632 TCL: Center of mass = 9.05293711773 -0.545674722216 -0.0784485276815 TCL: atom 1: phi = -0.115099328818 TCL: Center of mass = 9.05428901248 -0.545641355223 -0.0785110552708 TCL: atom 1: phi = -0.114233497719 TCL: Center of mass = 9.05564116998 -0.545633093198 -0.0785501613919 TCL: atom 1: phi = -0.113117884075 TCL: Center of mass = 9.05699649363 -0.545661163725 -0.0785533523193 TCL: atom 1: phi = -0.112121062625 TCL: Center of mass = 9.05834155023 -0.545705334919 -0.078522639947 TCL: atom 1: phi = -0.111102987608 TCL: Center of mass = 9.0597018269 -0.545753192051 -0.0784491469946 TCL: atom 1: phi = -0.110403267388 TCL: Center of mass = 9.06108058867 -0.545794475569 -0.0783549289592 TCL: atom 1: phi = -0.109878667558 TCL: Center of mass = 9.06248043662 -0.545790500274 -0.0782401676472 TCL: atom 1: phi = -0.10976057736 TCL: Center of mass = 9.06389705597 -0.545770008024 -0.078128545739 TCL: atom 1: phi = -0.109801023446 TCL: Center of mass = 9.06534306832 -0.545709345558 -0.0780158941396 TCL: atom 1: phi = -0.110173612405 TCL: Center of mass = 9.06680478259 -0.545630069146 -0.0779319507447 TCL: atom 1: phi = -0.110549680596 TCL: Center of mass = 9.0682949213 -0.545542535286 -0.0778690907335 TCL: atom 1: phi = -0.111004585363 TCL: Center of mass = 9.06980676501 -0.545470090986 -0.077803240552 TCL: atom 1: phi = -0.111136564851 TCL: Center of mass = 9.07132949176 -0.545429503466 -0.0777408160008 TCL: atom 1: phi = -0.111184987965 TCL: Center of mass = 9.07286255826 -0.545439869907 -0.0776612168828 TCL: atom 1: phi = -0.110982773882 TCL: Center of mass = 9.07438096145 -0.545474086772 -0.0775773562732 TCL: atom 1: phi = -0.110790590199 TCL: Center of mass = 9.07589637278 -0.545534411549 -0.0774843987312 TCL: atom 1: phi = -0.110500742009 TCL: Center of mass = 9.07739680848 -0.545587688764 -0.0774073263225 TCL: atom 1: phi = -0.110420457351 TCL: Center of mass = 9.0788842304 -0.545641311652 -0.0773460574948 TCL: atom 1: phi = -0.110300767058 TCL: Center of mass = 9.08032749146 -0.545675733691 -0.0773185758344 TCL: atom 1: phi = -0.110326829898 TCL: Center of mass = 9.08176004618 -0.545698044725 -0.0773237063137 TCL: atom 1: phi = -0.110175862684 TCL: Center of mass = 9.08315013618 -0.545698892135 -0.0773419642983 TCL: atom 1: phi = -0.109969858331 TCL: Center of mass = 9.08448904021 -0.545705649694 -0.0773743860977 TCL: atom 1: phi = -0.109434645889 TCL: Center of mass = 9.08577471425 -0.545725205199 -0.0774152349442 TCL: atom 1: phi = -0.108931848154 TCL: Center of mass = 9.0870433324 -0.545749603666 -0.0774564975845 TCL: atom 1: phi = -0.108159740925 TCL: Center of mass = 9.08824869843 -0.545769002889 -0.0774830362059 TCL: atom 1: phi = -0.107560699984 TCL: Center of mass = 9.08943896787 -0.545799686229 -0.0774810297231 TCL: atom 1: phi = -0.106913375819 TCL: Center of mass = 9.09059515925 -0.54580459829 -0.0774657614152 TCL: atom 1: phi = -0.106569791211 TCL: Center of mass = 9.09173370006 -0.545802741628 -0.0774455127206 TCL: atom 1: phi = -0.106322767482 TCL: Center of mass = 9.09284341155 -0.545743058843 -0.0774284822496 TCL: atom 1: phi = -0.106450855099 TCL: Center of mass = 9.09396027814 -0.545640032547 -0.0774254852862 TCL: atom 1: phi = -0.106573736332 TCL: Center of mass = 9.09507882596 -0.545476015794 -0.077411220835 TCL: atom 1: phi = -0.106748834735 TCL: Center of mass = 9.09621539283 -0.545276249265 -0.0773819332498 TCL: atom 1: phi = -0.106646009445 TCL: Center of mass = 9.09737017405 -0.545055001176 -0.0773318398136 TCL: atom 1: phi = -0.10642791753 TCL: Center of mass = 9.09855291506 -0.544830657878 -0.0772393312111 TCL: atom 1: phi = -0.105813308129 TCL: Center of mass = 9.09971393078 -0.54460511596 -0.0771096438948 TCL: atom 1: phi = -0.105111188131 TCL: Center of mass = 9.10088828662 -0.544403607246 -0.0769095251955 TCL: atom 1: phi = -0.104090016756 TCL: Center of mass = 9.10207042231 -0.54420658415 -0.0766717252644 TCL: atom 1: phi = -0.103156021918 TCL: Center of mass = 9.10325722299 -0.544026548206 -0.0763901681583 TCL: atom 1: phi = -0.102046752091 TCL: Center of mass = 9.10444932959 -0.543833106298 -0.0760667487409 TCL: atom 1: phi = -0.101078904645 TCL: Center of mass = 9.10565151304 -0.543634733315 -0.075715489718 TCL: atom 1: phi = -0.0999846557791 TCL: Center of mass = 9.10686631383 -0.543419696537 -0.0753565980428 TCL: atom 1: phi = -0.0989987299857 TCL: Center of mass = 9.10808026844 -0.543221165476 -0.0750106515037 TCL: atom 1: phi = -0.0978041042224 TCL: Center of mass = 9.10929823165 -0.543010810224 -0.0746736960475 TCL: atom 1: phi = -0.0967318563477 TCL: Center of mass = 9.11053794026 -0.542846140405 -0.0743344904649 TCL: atom 1: phi = -0.0955082791403 TCL: Center of mass = 9.11176573704 -0.542696294667 -0.0740009154528 TCL: atom 1: phi = -0.0945446368952 TCL: Center of mass = 9.11298265336 -0.542592978327 -0.0736493255773 TCL: atom 1: phi = -0.0935776335144 TCL: Center of mass = 9.11417666681 -0.542515064042 -0.0733201519115 TCL: atom 1: phi = -0.0931603417149 TCL: Center of mass = 9.11536453035 -0.542467149111 -0.0729923689293 TCL: atom 1: phi = -0.0930048158535 TCL: Center of mass = 9.1165318145 -0.542402477898 -0.0726921966144 TCL: atom 1: phi = -0.0934296493248 TCL: Center of mass = 9.11771229334 -0.542359487662 -0.0723952191139 TCL: atom 1: phi = -0.0940712343768 TCL: Center of mass = 9.11890477915 -0.542307208591 -0.0721287428238 TCL: atom 1: phi = -0.0950851073581 TCL: Center of mass = 9.12013350264 -0.54224797423 -0.0718703749706 TCL: atom 1: phi = -0.0960037897258 TCL: Center of mass = 9.12138093419 -0.542177872687 -0.0716426402612 TCL: atom 1: phi = -0.0969617702049 TCL: Center of mass = 9.12263574982 -0.542111327564 -0.0714378219002 TCL: atom 1: phi = -0.097563282334 TCL: Center of mass = 9.12393046816 -0.542043812802 -0.0712427423161 TCL: atom 1: phi = -0.097975550128 WRITING COORDINATES TO DCD FILE AT STEP 6900 WRITING COORDINATES TO RESTART FILE AT STEP 6900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6900 FINISHED WRITING RESTART VELOCITIES TIMING: 6900 CPU: 367.68, 0.0533819/step Wall: 441.944, 0.0629666/step, 0.229128 hours remaining, 13604 kB of memory in use. ENERGY: 6900 3409.2213 2493.8900 386.5265 34.3191 -44598.5105 4107.3570 0.0000 0.0000 9716.2731 -24450.9236 288.0299 -24305.7231 -24309.0073 289.2912 1129.0237 -1105.5517 125000.0000 -1623.3975 -1622.8589 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6900 TCL: Center of mass = 9.12524631327 -0.54201086406 -0.0710403443363 TCL: atom 1: phi = -0.0980258204399 TCL: Center of mass = 9.12656103709 -0.541987538051 -0.070820616688 TCL: atom 1: phi = -0.0979913915655 TCL: Center of mass = 9.12789412807 -0.541985507872 -0.0705793810614 TCL: atom 1: phi = -0.0977221240845 TCL: Center of mass = 9.12924720632 -0.541993507973 -0.0703009221258 TCL: atom 1: phi = -0.0974965477831 TCL: Center of mass = 9.13061968468 -0.542037854835 -0.0699902115591 TCL: atom 1: phi = -0.0970476048619 TCL: Center of mass = 9.13199887673 -0.542086726452 -0.0696648514215 TCL: atom 1: phi = -0.0965241268579 TCL: Center of mass = 9.13341278348 -0.542148291113 -0.0693039273744 TCL: atom 1: phi = -0.0956836774447 TCL: Center of mass = 9.13485560915 -0.542202463527 -0.0689490047973 TCL: atom 1: phi = -0.0946721046768 TCL: Center of mass = 9.1363172538 -0.542284295487 -0.0685798987213 TCL: atom 1: phi = -0.0932917870228 TCL: Center of mass = 9.13777572282 -0.542377276948 -0.0682147772237 TCL: atom 1: phi = -0.0917659019893 TCL: Center of mass = 9.13923917302 -0.542497134726 -0.0678340162706 TCL: atom 1: phi = -0.0900111745691 TCL: Center of mass = 9.1406758436 -0.54265147612 -0.0674724149242 TCL: atom 1: phi = -0.0883383230992 TCL: Center of mass = 9.14210716101 -0.542854779267 -0.0671043081498 TCL: atom 1: phi = -0.0866567281748 TCL: Center of mass = 9.14351008764 -0.543111440331 -0.0667463288389 TCL: atom 1: phi = -0.0852874683061 TCL: Center of mass = 9.14491321341 -0.543403275291 -0.066387767263 TCL: atom 1: phi = -0.0840414011688 TCL: Center of mass = 9.14630676659 -0.543715895916 -0.0660684623366 TCL: atom 1: phi = -0.0831685459457 TCL: Center of mass = 9.1477195083 -0.5440427593 -0.0657593867432 TCL: atom 1: phi = -0.0823785676985 TCL: Center of mass = 9.14915714218 -0.544388425577 -0.0654681688429 TCL: atom 1: phi = -0.0817381494513 TCL: Center of mass = 9.15062906767 -0.544764839981 -0.0651759360572 TCL: atom 1: phi = -0.081004538796 TCL: Center of mass = 9.15210193717 -0.545150221804 -0.0649429888435 TCL: atom 1: phi = -0.0803471992284 TCL: Center of mass = 9.15360861622 -0.545552041615 -0.0647232219987 TCL: atom 1: phi = -0.0795651522382 TCL: Center of mass = 9.15511736029 -0.545947642253 -0.0645479115266 TCL: atom 1: phi = -0.0788988175135 TCL: Center of mass = 9.15662965768 -0.546356899179 -0.0643820728645 TCL: atom 1: phi = -0.0782744388838 TCL: Center of mass = 9.15811775653 -0.546761544948 -0.0642333178318 TCL: atom 1: phi = -0.077931298774 TCL: Center of mass = 9.15960723778 -0.547175186232 -0.06408644146 TCL: atom 1: phi = -0.0777195631474 TCL: Center of mass = 9.1610858545 -0.547584641475 -0.0639253706548 TCL: atom 1: phi = -0.0777692746345 TCL: Center of mass = 9.16258210381 -0.548006728822 -0.063743502157 TCL: atom 1: phi = -0.0778401320654 TCL: Center of mass = 9.16410480425 -0.548441208457 -0.0635358194341 TCL: atom 1: phi = -0.0779767568642 TCL: Center of mass = 9.16562762163 -0.548911880306 -0.0632718553414 TCL: atom 1: phi = -0.0779910574247 TCL: Center of mass = 9.1671646932 -0.54938499534 -0.0629995417482 TCL: atom 1: phi = -0.077937739182 TCL: Center of mass = 9.16872122737 -0.549867132962 -0.0626751875503 TCL: atom 1: phi = -0.0777454538147 TCL: Center of mass = 9.17027146006 -0.550360860009 -0.0623438804695 TCL: atom 1: phi = -0.0776542064768 TCL: Center of mass = 9.1718211473 -0.550860530492 -0.0619954526094 TCL: atom 1: phi = -0.0776136641447 TCL: Center of mass = 9.17335733256 -0.551346790363 -0.0616663614766 TCL: atom 1: phi = -0.0778299523359 TCL: Center of mass = 9.17487319087 -0.551842064221 -0.0613543660394 TCL: atom 1: phi = -0.0781990583405 TCL: Center of mass = 9.17635519176 -0.55234007164 -0.0610663177566 TCL: atom 1: phi = -0.0789161404203 TCL: Center of mass = 9.17782656607 -0.552858847446 -0.0607962302602 TCL: atom 1: phi = -0.0797573097468 TCL: Center of mass = 9.17927784119 -0.553378622927 -0.0605618264783 TCL: atom 1: phi = -0.0807950524705 TCL: Center of mass = 9.18073920623 -0.553938003937 -0.06031377118 TCL: atom 1: phi = -0.0817396299291 TCL: Center of mass = 9.18219512628 -0.554478606669 -0.0600788867706 TCL: atom 1: phi = -0.0826531872194 TCL: Center of mass = 9.18366287481 -0.555030044812 -0.0598574674415 TCL: atom 1: phi = -0.0833310599049 TCL: Center of mass = 9.18512822542 -0.555554481345 -0.0596618957773 TCL: atom 1: phi = -0.0838118631767 TCL: Center of mass = 9.18661175051 -0.556101647353 -0.0595047462557 TCL: atom 1: phi = -0.0839658858728 TCL: Center of mass = 9.18809493556 -0.556617582937 -0.0594234067183 TCL: atom 1: phi = -0.0840532002469 TCL: Center of mass = 9.1895708543 -0.557115433413 -0.0593730039211 TCL: atom 1: phi = -0.0838847152145 TCL: Center of mass = 9.19102565077 -0.557586565412 -0.0593729053652 TCL: atom 1: phi = -0.083650093941 TCL: Center of mass = 9.19249082148 -0.55804269315 -0.0594128472774 TCL: atom 1: phi = -0.0832246423346 TCL: Center of mass = 9.19393760942 -0.558466615157 -0.0595005322198 TCL: atom 1: phi = -0.0827338611471 TCL: Center of mass = 9.19538657352 -0.55888062756 -0.059608166748 TCL: atom 1: phi = -0.0820323992896 TCL: Center of mass = 9.19682503396 -0.55926554594 -0.0597116283726 TCL: atom 1: phi = -0.0812090319464 TCL: Center of mass = 9.19827269125 -0.559666111232 -0.0598229180531 TCL: atom 1: phi = -0.0800917466535 TCL: Center of mass = 9.19971067729 -0.56004597006 -0.0599240451888 TCL: atom 1: phi = -0.0788459152366 TCL: Center of mass = 9.20116876645 -0.560426348841 -0.0600398787127 TCL: atom 1: phi = -0.0774889783307 TCL: Center of mass = 9.2026430239 -0.560771551966 -0.0601771790873 TCL: atom 1: phi = -0.0763365693437 TCL: Center of mass = 9.20414156883 -0.561108375188 -0.0603203497921 TCL: atom 1: phi = -0.0752853630262 TCL: Center of mass = 9.20561824628 -0.561422183039 -0.060489275262 TCL: atom 1: phi = -0.0745817211197 TCL: Center of mass = 9.20710034512 -0.561733426019 -0.0606504185033 TCL: atom 1: phi = -0.0740563169618 TCL: Center of mass = 9.20855046018 -0.562018642547 -0.0608071992538 TCL: atom 1: phi = -0.0739422475578 TCL: Center of mass = 9.20999084154 -0.562316226454 -0.0609338673622 TCL: atom 1: phi = -0.0739879649791 TCL: Center of mass = 9.21140099228 -0.5626036525 -0.0610335592364 TCL: atom 1: phi = -0.0742746583957 TCL: Center of mass = 9.21278881131 -0.562884814731 -0.0610898043662 TCL: atom 1: phi = -0.0745540169457 TCL: Center of mass = 9.21416119909 -0.563138197158 -0.0611240417756 TCL: atom 1: phi = -0.0750018541715 TCL: Center of mass = 9.21553967828 -0.563396148527 -0.0611375644728 TCL: atom 1: phi = -0.075409130605 TCL: Center of mass = 9.21692990594 -0.56362685245 -0.0611468695595 TCL: atom 1: phi = -0.0759585778022 TCL: Center of mass = 9.21834199903 -0.563852223468 -0.0611579494896 TCL: atom 1: phi = -0.0764495250572 TCL: Center of mass = 9.21976792566 -0.564038952853 -0.0611967493248 TCL: atom 1: phi = -0.0771211069265 TCL: Center of mass = 9.22121188674 -0.564189710087 -0.0612634315995 TCL: atom 1: phi = -0.0777812902839 TCL: Center of mass = 9.22264851528 -0.564316751603 -0.0613635375081 TCL: atom 1: phi = -0.0785912748461 TCL: Center of mass = 9.2240779218 -0.564442167101 -0.0614951350667 TCL: atom 1: phi = -0.0792259550897 TCL: Center of mass = 9.22548730255 -0.564553635095 -0.0616573796331 TCL: atom 1: phi = -0.0798393060861 TCL: Center of mass = 9.22686908084 -0.56466509731 -0.0618231484348 TCL: atom 1: phi = -0.0800759681679 TCL: Center of mass = 9.22823815718 -0.564778719759 -0.0619942080487 TCL: atom 1: phi = -0.0802154326658 TCL: Center of mass = 9.22962948562 -0.564896431802 -0.0621697994762 TCL: atom 1: phi = -0.0800829387952 TCL: Center of mass = 9.23102978482 -0.56499103753 -0.062386242049 TCL: atom 1: phi = -0.0799165942418 TCL: Center of mass = 9.23243329666 -0.565100940484 -0.0626090113485 TCL: atom 1: phi = -0.0795768505031 TCL: Center of mass = 9.23387260397 -0.565217083725 -0.0628770715994 TCL: atom 1: phi = -0.0794490333605 TCL: Center of mass = 9.23533630003 -0.565368883894 -0.0631517059564 TCL: atom 1: phi = -0.0793359091745 TCL: Center of mass = 9.23681146627 -0.565536082796 -0.0634558383244 TCL: atom 1: phi = -0.0794628892837 TCL: Center of mass = 9.23830138954 -0.565731555289 -0.0637522381352 TCL: atom 1: phi = -0.0796105040741 TCL: Center of mass = 9.23979187823 -0.56592926308 -0.0640565554858 TCL: atom 1: phi = -0.0799783686098 TCL: Center of mass = 9.24128416618 -0.56615346842 -0.0643383457404 TCL: atom 1: phi = -0.0802850962733 TCL: Center of mass = 9.2427762747 -0.566382798744 -0.0646089344962 TCL: atom 1: phi = -0.0807583555118 TCL: Center of mass = 9.24427124583 -0.566609229567 -0.0648338727097 TCL: atom 1: phi = -0.0811024626067 TCL: Center of mass = 9.24576296784 -0.56683194601 -0.065025848927 TCL: atom 1: phi = -0.0815444532685 TCL: Center of mass = 9.24725817469 -0.567056038093 -0.0651918299465 TCL: atom 1: phi = -0.0818416413199 TCL: Center of mass = 9.2487761546 -0.567263783772 -0.065346649354 TCL: atom 1: phi = -0.082229295814 TCL: Center of mass = 9.25033182993 -0.567464628412 -0.0654775687432 TCL: atom 1: phi = -0.082511421554 TCL: Center of mass = 9.25191849949 -0.567644038452 -0.0656291806592 TCL: atom 1: phi = -0.0828588922925 TCL: Center of mass = 9.25349737943 -0.567805193274 -0.0657861524687 TCL: atom 1: phi = -0.082964518075 TCL: Center of mass = 9.2550721352 -0.567952301609 -0.0659701167572 TCL: atom 1: phi = -0.083091740552 TCL: Center of mass = 9.25664515013 -0.568091111222 -0.0661586202844 TCL: atom 1: phi = -0.0829450774624 TCL: Center of mass = 9.25821680715 -0.568185383828 -0.0663816332359 TCL: atom 1: phi = -0.0827198024848 TCL: Center of mass = 9.25977725908 -0.568239667024 -0.0666107786933 TCL: atom 1: phi = -0.08216581291 TCL: Center of mass = 9.26131910139 -0.56826189522 -0.0668650909278 TCL: atom 1: phi = -0.0815628348677 TCL: Center of mass = 9.26285435601 -0.568255770607 -0.0671362752547 TCL: atom 1: phi = -0.080706022589 TCL: Center of mass = 9.26436516211 -0.568225962989 -0.0674237892137 TCL: atom 1: phi = -0.0799091130848 TCL: Center of mass = 9.26587135335 -0.568228238096 -0.0677274079696 TCL: atom 1: phi = -0.0790262058889 TCL: Center of mass = 9.26734439038 -0.568216201235 -0.0680357215538 TCL: atom 1: phi = -0.0784281477121 TCL: Center of mass = 9.26881070659 -0.568231913208 -0.0683575839402 TCL: atom 1: phi = -0.0778911331083 TCL: Center of mass = 9.27026061405 -0.568240538359 -0.0686784986941 TCL: atom 1: phi = -0.0776261057794 TIMING: 7000 CPU: 373.022, 0.0534219/step Wall: 448.203, 0.0625915/step, 0.226025 hours remaining, 13608 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 7000 3388.5192 2441.8520 386.7272 42.4615 -44566.0631 4070.3332 0.0000 0.0000 9800.8508 -24435.3192 290.5371 -24289.3684 -24296.0859 290.1347 1214.0848 -1243.4221 125000.0000 -1285.7376 -1290.1312 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7000 WRITING COORDINATES TO DCD FILE AT STEP 7000 WRITING COORDINATES TO RESTART FILE AT STEP 7000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 9.27170812994 -0.56827600669 -0.069004319609 TCL: atom 1: phi = -0.0773803030661 TCL: Center of mass = 9.27311780002 -0.568316686688 -0.0693211037707 TCL: atom 1: phi = -0.0773235494032 TCL: Center of mass = 9.27452481316 -0.568367010225 -0.0696247706528 TCL: atom 1: phi = -0.0772388406145 TCL: Center of mass = 9.27591932823 -0.568405593722 -0.0698902150644 TCL: atom 1: phi = -0.0773706626517 TCL: Center of mass = 9.27732532341 -0.568439619412 -0.0701186489265 TCL: atom 1: phi = -0.0773731797097 TCL: Center of mass = 9.27871263305 -0.568478951308 -0.0703038263266 TCL: atom 1: phi = -0.0774899677138 TCL: Center of mass = 9.2801150716 -0.568514243518 -0.0704638205459 TCL: atom 1: phi = -0.0775395879813 TCL: Center of mass = 9.28152851965 -0.568541643195 -0.0705670555947 TCL: atom 1: phi = -0.077629982341 TCL: Center of mass = 9.28296402864 -0.568570035456 -0.0706303394005 TCL: atom 1: phi = -0.0775132253987 TCL: Center of mass = 9.28442347074 -0.568557689184 -0.0706464846206 TCL: atom 1: phi = -0.0774224562271 TCL: Center of mass = 9.28590762247 -0.568537052883 -0.0706297040169 TCL: atom 1: phi = -0.0770016785517 TCL: Center of mass = 9.28740586454 -0.56849255332 -0.0706038173171 TCL: atom 1: phi = -0.076490377155 TCL: Center of mass = 9.28892460237 -0.568440826989 -0.0705694092131 TCL: atom 1: phi = -0.0756191549551 TCL: Center of mass = 9.29044134614 -0.568365225343 -0.0705446775185 TCL: atom 1: phi = -0.0746501506112 TCL: Center of mass = 9.29196865448 -0.568272253102 -0.0705311550236 TCL: atom 1: phi = -0.0734377766675 TCL: Center of mass = 9.29347830516 -0.568150381058 -0.0705090301105 TCL: atom 1: phi = -0.0722544408735 TCL: Center of mass = 9.29499338897 -0.568018300993 -0.0704909900341 TCL: atom 1: phi = -0.0708852281394 TCL: Center of mass = 9.29647885796 -0.567840910321 -0.0704615830494 TCL: atom 1: phi = -0.069626639793 TCL: Center of mass = 9.29795672836 -0.567673744355 -0.0704266314185 TCL: atom 1: phi = -0.068371923282 TCL: Center of mass = 9.29942638658 -0.567499671405 -0.070368966909 TCL: atom 1: phi = -0.0673617483973 TCL: Center of mass = 9.3009234869 -0.56735011398 -0.0703066218837 TCL: atom 1: phi = -0.0664530365097 TCL: Center of mass = 9.30240792825 -0.567192974169 -0.0702486927566 TCL: atom 1: phi = -0.0658711757105 TCL: Center of mass = 9.30390881349 -0.56705907295 -0.0702046992914 TCL: atom 1: phi = -0.0653487597034 TCL: Center of mass = 9.30540428634 -0.566944602477 -0.0701749795722 TCL: atom 1: phi = -0.0650953396325 TCL: Center of mass = 9.30689112386 -0.566860632936 -0.0701505199392 TCL: atom 1: phi = -0.0648467786861 TCL: Center of mass = 9.30833857066 -0.566758276718 -0.0701097255511 TCL: atom 1: phi = -0.0648378044692 TCL: Center of mass = 9.309759003 -0.566666844285 -0.0700173523188 TCL: atom 1: phi = -0.0648149810889 TCL: Center of mass = 9.31112175849 -0.566548333718 -0.0698872071967 TCL: atom 1: phi = -0.0649995591004 TCL: Center of mass = 9.31247292044 -0.566414097363 -0.069702666853 TCL: atom 1: phi = -0.0650440507153 TCL: Center of mass = 9.31378560687 -0.566253572428 -0.0694631495393 TCL: atom 1: phi = -0.0651903339206 TCL: Center of mass = 9.31510548332 -0.566098773377 -0.0691794758934 TCL: atom 1: phi = -0.0651868737401 TCL: Center of mass = 9.31641885592 -0.565911242057 -0.0688592997947 TCL: atom 1: phi = -0.0652342642043 TCL: Center of mass = 9.31777495766 -0.565744642714 -0.0685302232012 TCL: atom 1: phi = -0.0651191587736 TCL: Center of mass = 9.31913679788 -0.56557335933 -0.0682174245441 TCL: atom 1: phi = -0.065133818741 TCL: Center of mass = 9.32051931792 -0.565389317239 -0.0678951083834 TCL: atom 1: phi = -0.0649638995706 TCL: Center of mass = 9.32188433936 -0.565211326057 -0.0675760352581 TCL: atom 1: phi = -0.0648546369251 TCL: Center of mass = 9.32324118696 -0.565031948009 -0.0672557177976 TCL: atom 1: phi = -0.064684714001 TCL: Center of mass = 9.32456815269 -0.56483709174 -0.066930747897 TCL: atom 1: phi = -0.0645773288401 TCL: Center of mass = 9.32585711414 -0.564648374263 -0.0665945617493 TCL: atom 1: phi = -0.0643932105947 TCL: Center of mass = 9.32710038318 -0.564439743406 -0.0662590343751 TCL: atom 1: phi = -0.0644086618917 TCL: Center of mass = 9.32833783357 -0.564222557002 -0.0659431355252 TCL: atom 1: phi = -0.0643987892726 TCL: Center of mass = 9.32956483351 -0.563995477498 -0.0656367030735 TCL: atom 1: phi = -0.064687433996 TCL: Center of mass = 9.33080156265 -0.563783993299 -0.065377185653 TCL: atom 1: phi = -0.0651233127271 TCL: Center of mass = 9.33205354235 -0.563582806117 -0.0651652054035 TCL: atom 1: phi = -0.0658592706601 TCL: Center of mass = 9.33332206468 -0.563424965165 -0.0650020045872 TCL: atom 1: phi = -0.0667087323923 TCL: Center of mass = 9.33458087036 -0.563306380306 -0.0648776800302 TCL: atom 1: phi = -0.0677943790682 TCL: Center of mass = 9.33582332248 -0.563246561461 -0.0647606417778 TCL: atom 1: phi = -0.0688939216486 TCL: Center of mass = 9.33701765661 -0.563214830208 -0.064673115985 TCL: atom 1: phi = -0.0700033215035 TCL: Center of mass = 9.33816273171 -0.563214917519 -0.0645666948065 TCL: atom 1: phi = -0.0709785917532 TCL: Center of mass = 9.33922522062 -0.563237707916 -0.0644395391843 TCL: atom 1: phi = -0.0719195186719 TCL: Center of mass = 9.34026196873 -0.563262274229 -0.0642925423578 TCL: atom 1: phi = -0.0726078148747 TCL: Center of mass = 9.34126669013 -0.56330183258 -0.064153346777 TCL: atom 1: phi = -0.0732698780296 TCL: Center of mass = 9.34226536943 -0.563354929325 -0.0640087721838 TCL: atom 1: phi = -0.0737867035547 TCL: Center of mass = 9.3432856083 -0.5634192774 -0.0638621737545 TCL: atom 1: phi = -0.0742607497038 TCL: Center of mass = 9.3443400733 -0.563509013463 -0.0637033346825 TCL: atom 1: phi = -0.0745472404754 TCL: Center of mass = 9.34544455286 -0.563604459634 -0.0635551330581 TCL: atom 1: phi = -0.0747817781991 TCL: Center of mass = 9.34659855097 -0.563718291955 -0.0633836202346 TCL: atom 1: phi = -0.0748577874665 TCL: Center of mass = 9.34773520854 -0.563818946117 -0.0631949575666 TCL: atom 1: phi = -0.0749314988103 TCL: Center of mass = 9.34886690605 -0.563928289085 -0.0629764609058 TCL: atom 1: phi = -0.0748499947865 TCL: Center of mass = 9.34995756336 -0.564006030138 -0.0627303638697 TCL: atom 1: phi = -0.0748035640719 TCL: Center of mass = 9.35102913026 -0.564078317673 -0.0624390114832 TCL: atom 1: phi = -0.0746419636893 TCL: Center of mass = 9.35205167164 -0.564121879595 -0.0621443216671 TCL: atom 1: phi = -0.0745985026521 TCL: Center of mass = 9.35306098423 -0.56414277672 -0.0618254302262 TCL: atom 1: phi = -0.0746214373185 TCL: Center of mass = 9.35404296801 -0.564114673171 -0.0615065930735 TCL: atom 1: phi = -0.0749110717949 TCL: Center of mass = 9.35503947892 -0.564070072088 -0.0611842049213 TCL: atom 1: phi = -0.0753941593092 TCL: Center of mass = 9.35605534798 -0.564010762473 -0.0608917853222 TCL: atom 1: phi = -0.0761650244102 TCL: Center of mass = 9.35709948169 -0.563954661976 -0.0605918430332 TCL: atom 1: phi = -0.0770696491676 TCL: Center of mass = 9.35814813001 -0.563888394272 -0.0603025813392 TCL: atom 1: phi = -0.0780788955348 TCL: Center of mass = 9.35919003158 -0.563814074842 -0.0600010948877 TCL: atom 1: phi = -0.0789737680861 TCL: Center of mass = 9.36019199311 -0.563737421924 -0.0596909908266 TCL: atom 1: phi = -0.0797700984735 TCL: Center of mass = 9.36115283248 -0.563658561017 -0.0593626599442 TCL: atom 1: phi = -0.0803454456483 TCL: Center of mass = 9.36208343581 -0.563578999352 -0.0590414594071 TCL: atom 1: phi = -0.0807845547763 TCL: Center of mass = 9.36300612095 -0.563536143335 -0.0587058208738 TCL: atom 1: phi = -0.0810528509615 TCL: Center of mass = 9.36391280082 -0.56350032663 -0.0583804698931 TCL: atom 1: phi = -0.0812197380451 TCL: Center of mass = 9.36482084254 -0.563478866413 -0.0580514396581 TCL: atom 1: phi = -0.0811810345375 TCL: Center of mass = 9.3657531425 -0.563482694467 -0.0577747403953 TCL: atom 1: phi = -0.0810772785523 TCL: Center of mass = 9.3667213483 -0.563507189254 -0.0575131346005 TCL: atom 1: phi = -0.0808097072658 TCL: Center of mass = 9.36773498677 -0.563545529964 -0.0572630332211 TCL: atom 1: phi = -0.0804642766856 TCL: Center of mass = 9.36879100985 -0.563590684303 -0.0570070099078 TCL: atom 1: phi = -0.0798625340626 TCL: Center of mass = 9.3698824459 -0.563650546624 -0.0567646205049 TCL: atom 1: phi = -0.0791248410739 TCL: Center of mass = 9.37099209306 -0.563735412184 -0.0565297684276 TCL: atom 1: phi = -0.0781609607758 TCL: Center of mass = 9.37211555517 -0.563822168943 -0.0563248616818 TCL: atom 1: phi = -0.0771817935956 TCL: Center of mass = 9.37322297934 -0.563928420992 -0.0561502670813 TCL: atom 1: phi = -0.0760892887702 TCL: Center of mass = 9.37433373424 -0.564041095668 -0.0560367267388 TCL: atom 1: phi = -0.075048782095 TCL: Center of mass = 9.3754217917 -0.564171164295 -0.0559361491696 TCL: atom 1: phi = -0.0740068407272 TCL: Center of mass = 9.37650830896 -0.564290569008 -0.0558805960366 TCL: atom 1: phi = -0.0731194894062 TCL: Center of mass = 9.37759457824 -0.564418736667 -0.0558297152978 TCL: atom 1: phi = -0.072237663217 TCL: Center of mass = 9.37871032918 -0.564529543941 -0.0557994144919 TCL: atom 1: phi = -0.0715043726623 TCL: Center of mass = 9.37982202181 -0.564631836369 -0.0557735268751 TCL: atom 1: phi = -0.0706334263572 TCL: Center of mass = 9.38093842841 -0.564702859713 -0.055745285524 TCL: atom 1: phi = -0.0697599678419 TCL: Center of mass = 9.38208832003 -0.564777076581 -0.0557342089504 TCL: atom 1: phi = -0.068626752848 TCL: Center of mass = 9.38325094093 -0.564817437932 -0.0557229637458 TCL: atom 1: phi = -0.0673809105521 TCL: Center of mass = 9.38439946968 -0.564835383232 -0.0557100426087 TCL: atom 1: phi = -0.0659242442242 TCL: Center of mass = 9.38552298147 -0.564816013366 -0.0557041690952 TCL: atom 1: phi = -0.0644977269531 TCL: Center of mass = 9.3866405347 -0.564817209796 -0.0556929591044 TCL: atom 1: phi = -0.0629725320345 TCL: Center of mass = 9.38772634452 -0.564792905234 -0.0556643631844 TCL: atom 1: phi = -0.061561538497 TCL: Center of mass = 9.38878800726 -0.564771158574 -0.055599741354 TCL: atom 1: phi = -0.0601842615019 TCL: Center of mass = 9.38985157383 -0.564723401979 -0.0555101405707 TCL: atom 1: phi = -0.0589962472778 TCL: Center of mass = 9.39093588691 -0.56466445722 -0.0553638368293 TCL: atom 1: phi = -0.0578444194822 TCL: Center of mass = 9.39206918098 -0.564568100536 -0.0552058139258 TCL: atom 1: phi = -0.056859637258 WRITING COORDINATES TO DCD FILE AT STEP 7100 WRITING COORDINATES TO RESTART FILE AT STEP 7100 FINISHED WRITING RESTART COORDINATES TIMING: 7100 CPU: 378.343, 0.0532119/step Wall: 454.533, 0.063296/step, 0.226811 hours remaining, 13608 kB of memory in use. ENERGY: 7100 3435.7096 2456.1059 392.2309 40.6731 -44645.6461 4120.2267 0.0000 0.0000 9734.8310 -24465.8689 288.5800 -24319.6664 -24324.7534 290.2448 1039.8495 -1296.0760 125000.0000 -1180.8161 -1177.6153 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7100 WRITING VELOCITIES TO RESTART FILE AT STEP 7100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 9.39325685899 -0.564476504582 -0.0550586333698 TCL: atom 1: phi = -0.0557964815077 TCL: Center of mass = 9.39448761748 -0.564358705481 -0.0549270416029 TCL: atom 1: phi = -0.0548753859783 TCL: Center of mass = 9.39577421822 -0.564237632312 -0.0548027437056 TCL: atom 1: phi = -0.0538974906196 TCL: Center of mass = 9.39709399096 -0.56409963036 -0.0546913018921 TCL: atom 1: phi = -0.0531959322077 TCL: Center of mass = 9.39843426443 -0.563972084072 -0.0545717616164 TCL: atom 1: phi = -0.052647397592 TCL: Center of mass = 9.3997641396 -0.563837265037 -0.0544566613917 TCL: atom 1: phi = -0.0524474776175 TCL: Center of mass = 9.4011104159 -0.563729218233 -0.0543327305561 TCL: atom 1: phi = -0.0524376491153 TCL: Center of mass = 9.40245823852 -0.563607953644 -0.0541933129137 TCL: atom 1: phi = -0.0527620454664 TCL: Center of mass = 9.40381497399 -0.563497640563 -0.0540466261462 TCL: atom 1: phi = -0.0531321846226 TCL: Center of mass = 9.40517775784 -0.563372179153 -0.0538962573716 TCL: atom 1: phi = -0.0536618549629 TCL: Center of mass = 9.40657496174 -0.563240601511 -0.053768072119 TCL: atom 1: phi = -0.0540898004604 TCL: Center of mass = 9.40801487819 -0.563094154659 -0.0536550612508 TCL: atom 1: phi = -0.0545811564301 TCL: Center of mass = 9.40949868072 -0.562955908208 -0.0535765754919 TCL: atom 1: phi = -0.0547874316752 TCL: Center of mass = 9.4110159459 -0.562812040504 -0.0535292855356 TCL: atom 1: phi = -0.0550205285197 TCL: Center of mass = 9.41254846182 -0.56270328999 -0.0534996220919 TCL: atom 1: phi = -0.0549786055252 TCL: Center of mass = 9.41407128523 -0.562593072122 -0.0534934054923 TCL: atom 1: phi = -0.0549478810886 TCL: Center of mass = 9.41556082708 -0.562507418006 -0.0534769328701 TCL: atom 1: phi = -0.0545623623727 TCL: Center of mass = 9.41699493185 -0.562409984918 -0.0534356535875 TCL: atom 1: phi = -0.0541686644597 TCL: Center of mass = 9.41839780099 -0.562319522279 -0.0533701622907 TCL: atom 1: phi = -0.0533960859657 TCL: Center of mass = 9.41979298994 -0.562232829756 -0.0533000388564 TCL: atom 1: phi = -0.0525270978982 TCL: Center of mass = 9.42120468886 -0.56215366934 -0.0532283473187 TCL: atom 1: phi = -0.0511862052118 TCL: Center of mass = 9.42262951895 -0.562055685133 -0.0531847400754 TCL: atom 1: phi = -0.0496899350642 TCL: Center of mass = 9.42409653283 -0.561964924294 -0.0531650658735 TCL: atom 1: phi = -0.0478069301745 TCL: Center of mass = 9.42559621852 -0.5618668235 -0.0531637578192 TCL: atom 1: phi = -0.0459395476752 TCL: Center of mass = 9.42711423384 -0.561802577122 -0.0531651243156 TCL: atom 1: phi = -0.0439845154508 TCL: Center of mass = 9.42865056551 -0.561723778981 -0.0531638431467 TCL: atom 1: phi = -0.0423137085257 TCL: Center of mass = 9.43019584773 -0.561649836394 -0.0531528522291 TCL: atom 1: phi = -0.0407198552767 TCL: Center of mass = 9.43175073779 -0.561569942238 -0.0531416671975 TCL: atom 1: phi = -0.0395032278283 TCL: Center of mass = 9.43331086194 -0.561488041292 -0.053099497964 TCL: atom 1: phi = -0.0383995006732 TCL: Center of mass = 9.43484168557 -0.561377479855 -0.0530329260979 TCL: atom 1: phi = -0.0376359148632 TCL: Center of mass = 9.43638374734 -0.561257678457 -0.0529241107855 TCL: atom 1: phi = -0.0369285797113 TCL: Center of mass = 9.43794070783 -0.561132021941 -0.0527872843778 TCL: atom 1: phi = -0.0363916841322 TCL: Center of mass = 9.43952822678 -0.561019981561 -0.0526535905661 TCL: atom 1: phi = -0.035726252749 TCL: Center of mass = 9.44112547107 -0.560877561587 -0.0525259974157 TCL: atom 1: phi = -0.0352088915726 TCL: Center of mass = 9.44275446648 -0.5607503999 -0.0524000933849 TCL: atom 1: phi = -0.0346341886031 TCL: Center of mass = 9.44438649312 -0.5606450403 -0.0522587284146 TCL: atom 1: phi = -0.0342055136109 TCL: Center of mass = 9.44603838809 -0.560548590049 -0.0520952115761 TCL: atom 1: phi = -0.0336420305377 TCL: Center of mass = 9.44765710213 -0.560470239134 -0.0519164074796 TCL: atom 1: phi = -0.0331451808202 TCL: Center of mass = 9.44924882996 -0.560408580872 -0.0517207133967 TCL: atom 1: phi = -0.0324981422613 TCL: Center of mass = 9.45080858573 -0.560366248961 -0.0514879686736 TCL: atom 1: phi = -0.0318195250772 TCL: Center of mass = 9.45234068238 -0.560331192801 -0.0512297927346 TCL: atom 1: phi = -0.0309095135892 TCL: Center of mass = 9.45383979001 -0.560298457385 -0.0509646706388 TCL: atom 1: phi = -0.0299129879753 TCL: Center of mass = 9.45534738831 -0.56025300677 -0.0506927706 TCL: atom 1: phi = -0.0286219398155 TCL: Center of mass = 9.45684784667 -0.56021981475 -0.0504326420122 TCL: atom 1: phi = -0.0272768543579 TCL: Center of mass = 9.45837800095 -0.560209155389 -0.0501672467884 TCL: atom 1: phi = -0.0258393275659 TCL: Center of mass = 9.45991765139 -0.560201153931 -0.0499131409734 TCL: atom 1: phi = -0.0244831990567 TCL: Center of mass = 9.46149358265 -0.560206390922 -0.0496492049734 TCL: atom 1: phi = -0.0231595554107 TCL: Center of mass = 9.46306607685 -0.560213498037 -0.0493811178765 TCL: atom 1: phi = -0.02206798803 TCL: Center of mass = 9.46465493889 -0.560217323173 -0.0491287637499 TCL: atom 1: phi = -0.0210946972482 TCL: Center of mass = 9.46620645557 -0.560204347366 -0.0488906910777 TCL: atom 1: phi = -0.020390334332 TCL: Center of mass = 9.46775480057 -0.560164661231 -0.0486132377058 TCL: atom 1: phi = -0.0197318047755 TCL: Center of mass = 9.46928823524 -0.560101327903 -0.0483320442311 TCL: atom 1: phi = -0.019183168574 TCL: Center of mass = 9.47083343217 -0.560022291828 -0.0480258860359 TCL: atom 1: phi = -0.0185500296269 TCL: Center of mass = 9.47237823633 -0.559930067601 -0.0477245753182 TCL: atom 1: phi = -0.0178868181823 TCL: Center of mass = 9.47395469075 -0.559848357384 -0.0473930614786 TCL: atom 1: phi = -0.0170992535067 TCL: Center of mass = 9.47554363997 -0.559785502549 -0.0470475935021 TCL: atom 1: phi = -0.0162777024685 TCL: Center of mass = 9.47713471964 -0.559779231803 -0.0466865708916 TCL: atom 1: phi = -0.0153209523905 TCL: Center of mass = 9.47871822969 -0.55980563296 -0.0463185909693 TCL: atom 1: phi = -0.0142345817202 TCL: Center of mass = 9.48028335438 -0.55988317517 -0.045946057759 TCL: atom 1: phi = -0.0129076368345 TCL: Center of mass = 9.48180618237 -0.559968687474 -0.0455960189065 TCL: atom 1: phi = -0.011448163799 TCL: Center of mass = 9.48327867206 -0.560083649264 -0.0452730821026 TCL: atom 1: phi = -0.00972936080861 TCL: Center of mass = 9.48466872298 -0.560201432736 -0.0449718600546 TCL: atom 1: phi = -0.00786656579288 TCL: Center of mass = 9.48598526446 -0.560353838084 -0.0446572215288 TCL: atom 1: phi = -0.00569154405853 TCL: Center of mass = 9.48720597065 -0.560533527509 -0.0443630480768 TCL: atom 1: phi = -0.00343040255793 TCL: Center of mass = 9.48835310966 -0.560750241434 -0.0440739138503 TCL: atom 1: phi = -0.00102513112603 TCL: Center of mass = 9.48943510273 -0.560971260904 -0.043801701185 TCL: atom 1: phi = 0.00131914200654 TCL: Center of mass = 9.49050374409 -0.561246042505 -0.0435242363328 TCL: atom 1: phi = 0.00370237197528 TCL: Center of mass = 9.49154915959 -0.561526811572 -0.0432905518815 TCL: atom 1: phi = 0.00583346966522 TCL: Center of mass = 9.49258578684 -0.56182586375 -0.0430511592521 TCL: atom 1: phi = 0.00782813057614 TCL: Center of mass = 9.49361151721 -0.562099109068 -0.0428533443613 TCL: atom 1: phi = 0.00944075288364 TCL: Center of mass = 9.49464814032 -0.56234961883 -0.0426882951415 TCL: atom 1: phi = 0.0108936924109 TCL: Center of mass = 9.49569306626 -0.562541263143 -0.0425875317276 TCL: atom 1: phi = 0.0119667526169 TCL: Center of mass = 9.49675907373 -0.562689060262 -0.0425034365681 TCL: atom 1: phi = 0.0129384505357 TCL: Center of mass = 9.49784603474 -0.562796192262 -0.0424430147231 TCL: atom 1: phi = 0.0136334360652 TCL: Center of mass = 9.49894708207 -0.562907027213 -0.0423654900773 TCL: atom 1: phi = 0.0142666252808 TCL: Center of mass = 9.50006779845 -0.563001002287 -0.0422871955333 TCL: atom 1: phi = 0.0146898625963 TCL: Center of mass = 9.50121051182 -0.563104065514 -0.0421823998404 TCL: atom 1: phi = 0.0151949161168 TCL: Center of mass = 9.5024029816 -0.56320974607 -0.0420840854961 TCL: atom 1: phi = 0.0155733033141 TCL: Center of mass = 9.50365555515 -0.563331765549 -0.0420088847004 TCL: atom 1: phi = 0.0159922597451 TCL: Center of mass = 9.50497896768 -0.563434059057 -0.0419555778688 TCL: atom 1: phi = 0.0162846359795 TCL: Center of mass = 9.5063629511 -0.563557033886 -0.0419115928042 TCL: atom 1: phi = 0.0167394243251 TCL: Center of mass = 9.50779493484 -0.563647898512 -0.0419120111288 TCL: atom 1: phi = 0.0171996885767 TCL: Center of mass = 9.50923962379 -0.563728016898 -0.0419282319013 TCL: atom 1: phi = 0.0180047614208 TCL: Center of mass = 9.51067856276 -0.563789744656 -0.0419691727718 TCL: atom 1: phi = 0.0189475607831 TCL: Center of mass = 9.51206896418 -0.563864848654 -0.0419870164469 TCL: atom 1: phi = 0.0201339721012 TCL: Center of mass = 9.51341325191 -0.563931183507 -0.0419697181436 TCL: atom 1: phi = 0.0212420545314 TCL: Center of mass = 9.51469407723 -0.564044070109 -0.0419051826154 TCL: atom 1: phi = 0.0224635603497 TCL: Center of mass = 9.51592517322 -0.564138981636 -0.0418090496262 TCL: atom 1: phi = 0.0236626356082 TCL: Center of mass = 9.51711749022 -0.564266029132 -0.0416953032591 TCL: atom 1: phi = 0.0249033925005 TCL: Center of mass = 9.51828547599 -0.564365326916 -0.0415858216281 TCL: atom 1: phi = 0.0259458275189 TCL: Center of mass = 9.51945087766 -0.564480801071 -0.0414918173874 TCL: atom 1: phi = 0.026910401606 TCL: Center of mass = 9.52063382749 -0.564573687915 -0.0414399314624 TCL: atom 1: phi = 0.0276193424789 TCL: Center of mass = 9.52186428042 -0.564671368291 -0.0413921681773 TCL: atom 1: phi = 0.0282760261063 TCL: Center of mass = 9.5231292898 -0.564727557274 -0.0413226020699 TCL: atom 1: phi = 0.0286083154962 TCL: Center of mass = 9.52440576726 -0.564796532547 -0.0412498947893 TCL: atom 1: phi = 0.0289369662467 TCL: Center of mass = 9.52568188725 -0.564850844991 -0.0411387825705 TCL: atom 1: phi = 0.0289818571554 TCL: Center of mass = 9.52695378169 -0.564933252843 -0.0409982563884 TCL: atom 1: phi = 0.0289691802085 TCL: Center of mass = 9.52821076467 -0.565028735716 -0.0408046208702 TCL: atom 1: phi = 0.0286155595676 TCL: Center of mass = 9.52945313877 -0.565163310592 -0.0405623055971 TCL: atom 1: phi = 0.0282245967749 TCL: Center of mass = 9.53073919386 -0.5653022849 -0.0402915689856 TCL: atom 1: phi = 0.027581091216 WRITING COORDINATES TO DCD FILE AT STEP 7200 WRITING COORDINATES TO RESTART FILE AT STEP 7200 FINISHED WRITING RESTART COORDINATES TIMING: 7200 CPU: 383.681, 0.0533719/step Wall: 460.819, 0.0628609/step, 0.223505 hours remaining, 13608 kB of memory in use. ENERGY: 7200 3387.8841 2412.0521 390.5708 35.2796 -44473.8116 3983.3456 0.0000 0.0000 9794.7391 -24469.9403 290.3559 -24324.7687 -24325.9850 290.7424 1504.4069 -971.7189 125000.0000 -1261.0869 -1256.6379 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7200 WRITING VELOCITIES TO RESTART FILE AT STEP 7200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 9.53206760217 -0.565455223876 -0.0400214773841 TCL: atom 1: phi = 0.0269338715525 TCL: Center of mass = 9.53345207848 -0.565588842868 -0.0397691482667 TCL: atom 1: phi = 0.0261200551217 TCL: Center of mass = 9.53490131225 -0.565735977219 -0.039552763851 TCL: atom 1: phi = 0.0254309799866 TCL: Center of mass = 9.53641269217 -0.565870312977 -0.0393491086522 TCL: atom 1: phi = 0.0246360773727 TCL: Center of mass = 9.53797473999 -0.566010121056 -0.0391417237897 TCL: atom 1: phi = 0.024065187919 TCL: Center of mass = 9.53954104767 -0.566149332896 -0.0389212135405 TCL: atom 1: phi = 0.0234173604481 TCL: Center of mass = 9.54109588906 -0.566310439096 -0.0386805786159 TCL: atom 1: phi = 0.0229249526184 TCL: Center of mass = 9.54261919292 -0.566444457118 -0.0384058335744 TCL: atom 1: phi = 0.0222692458358 TCL: Center of mass = 9.54411059915 -0.566579273385 -0.0381227536188 TCL: atom 1: phi = 0.0217170351474 TCL: Center of mass = 9.5455792499 -0.566721840454 -0.0378379081392 TCL: atom 1: phi = 0.0209119104761 TCL: Center of mass = 9.54704040256 -0.566856126534 -0.0375607967185 TCL: atom 1: phi = 0.0201857576049 TCL: Center of mass = 9.54850722003 -0.566964749381 -0.0372890865649 TCL: atom 1: phi = 0.0192264852055 TCL: Center of mass = 9.54998269474 -0.567085051624 -0.037031414729 TCL: atom 1: phi = 0.0183306827279 TCL: Center of mass = 9.55147141307 -0.567178645902 -0.0367695862806 TCL: atom 1: phi = 0.0172553547661 TCL: Center of mass = 9.55295994633 -0.567279644221 -0.0365013868291 TCL: atom 1: phi = 0.0162287418271 TCL: Center of mass = 9.55446633151 -0.567371424025 -0.0362180101531 TCL: atom 1: phi = 0.0149994428695 TCL: Center of mass = 9.55597204112 -0.567467622046 -0.0358972680829 TCL: atom 1: phi = 0.0138279465073 TCL: Center of mass = 9.55748315546 -0.56755267672 -0.0355514906294 TCL: atom 1: phi = 0.0125235484457 TCL: Center of mass = 9.55898673559 -0.567647795751 -0.0351932844996 TCL: atom 1: phi = 0.0113052358964 TCL: Center of mass = 9.5604843563 -0.567732626992 -0.0348259613971 TCL: atom 1: phi = 0.00999351787615 TCL: Center of mass = 9.56199058222 -0.567833396768 -0.034464018686 TCL: atom 1: phi = 0.00888934105542 TCL: Center of mass = 9.56353700241 -0.5679025655 -0.0341260217952 TCL: atom 1: phi = 0.0078562712172 TCL: Center of mass = 9.56512497491 -0.567996640492 -0.0338012985125 TCL: atom 1: phi = 0.00710501231912 TCL: Center of mass = 9.56676406209 -0.56809279087 -0.0334897958838 TCL: atom 1: phi = 0.00647106348523 TCL: Center of mass = 9.56847086646 -0.568234131868 -0.0331687892064 TCL: atom 1: phi = 0.00615630395947 TCL: Center of mass = 9.57022144087 -0.568388424112 -0.0328351098732 TCL: atom 1: phi = 0.00593571789435 TCL: Center of mass = 9.57200740614 -0.568563078061 -0.0324822851752 TCL: atom 1: phi = 0.0059452244665 TCL: Center of mass = 9.57379375183 -0.568721822205 -0.0321218103627 TCL: atom 1: phi = 0.00593636336871 TCL: Center of mass = 9.57560322411 -0.568875134644 -0.031750034356 TCL: atom 1: phi = 0.00598004264692 TCL: Center of mass = 9.57739669493 -0.568986442398 -0.0313806202393 TCL: atom 1: phi = 0.00588255273922 TCL: Center of mass = 9.5792053793 -0.569102587492 -0.0310141664547 TCL: atom 1: phi = 0.0058507663713 TCL: Center of mass = 9.58099210601 -0.56918951682 -0.0306705267936 TCL: atom 1: phi = 0.00567463659026 TCL: Center of mass = 9.58278437937 -0.569307109917 -0.0303337812354 TCL: atom 1: phi = 0.00555058213721 TCL: Center of mass = 9.58457989394 -0.569443541355 -0.0300105035694 TCL: atom 1: phi = 0.00535458897561 TCL: Center of mass = 9.58639056538 -0.569614494098 -0.0296942573039 TCL: atom 1: phi = 0.00506692775812 TCL: Center of mass = 9.58818919165 -0.569795666939 -0.0293762159264 TCL: atom 1: phi = 0.00459010063726 TCL: Center of mass = 9.58998213587 -0.570003727539 -0.0290400952451 TCL: atom 1: phi = 0.0040059059169 TCL: Center of mass = 9.59175157897 -0.570207851841 -0.02871656764 TCL: atom 1: phi = 0.00319523117628 TCL: Center of mass = 9.59350593283 -0.570432701233 -0.0283828274683 TCL: atom 1: phi = 0.00223379194259 TCL: Center of mass = 9.59526389075 -0.570629911638 -0.0280538621035 TCL: atom 1: phi = 0.00109902678569 TCL: Center of mass = 9.59703575094 -0.570802607571 -0.0277438959922 TCL: atom 1: phi = -8.9020818357e-05 TCL: Center of mass = 9.59880859303 -0.570942632579 -0.0274578326123 TCL: atom 1: phi = -0.00136216110287 TCL: Center of mass = 9.60060423289 -0.571088316766 -0.0271978561704 TCL: atom 1: phi = -0.00240896721401 TCL: Center of mass = 9.60243625042 -0.571235134144 -0.0269255778079 TCL: atom 1: phi = -0.00328465578337 TCL: Center of mass = 9.60430889514 -0.571443252974 -0.0266440081962 TCL: atom 1: phi = -0.00376255719254 TCL: Center of mass = 9.60620334411 -0.571680907917 -0.026372671149 TCL: atom 1: phi = -0.00396798125149 TCL: Center of mass = 9.60811015241 -0.57196743261 -0.0261056763172 TCL: atom 1: phi = -0.00380053120498 TCL: Center of mass = 9.61002211562 -0.572265639318 -0.0258649960342 TCL: atom 1: phi = -0.003396623428 TCL: Center of mass = 9.6119628957 -0.572605245485 -0.0256328474541 TCL: atom 1: phi = -0.00280342983352 TCL: Center of mass = 9.61391696269 -0.572924011809 -0.0254339749636 TCL: atom 1: phi = -0.0021902901893 TCL: Center of mass = 9.6158746702 -0.573240196527 -0.0252718063872 TCL: atom 1: phi = -0.00147638283889 TCL: Center of mass = 9.61779626992 -0.573512008454 -0.0251459283003 TCL: atom 1: phi = -0.00066229306486 TCL: Center of mass = 9.61971755154 -0.573782802849 -0.0250364897248 TCL: atom 1: phi = 0.000362568775666 TCL: Center of mass = 9.62159327731 -0.574041598637 -0.0249407419988 TCL: atom 1: phi = 0.00149647375139 TCL: Center of mass = 9.62343865746 -0.574292981022 -0.0248335882169 TCL: atom 1: phi = 0.00289922162379 TCL: Center of mass = 9.62524294751 -0.574554626992 -0.0247090563906 TCL: atom 1: phi = 0.00437184560663 TCL: Center of mass = 9.6270334058 -0.574845039961 -0.0245573478005 TCL: atom 1: phi = 0.00591483574018 TCL: Center of mass = 9.62878026545 -0.575128281247 -0.024389674813 TCL: atom 1: phi = 0.00729244998395 TCL: Center of mass = 9.63051574909 -0.575398795128 -0.0242225686477 TCL: atom 1: phi = 0.00848647646136 TCL: Center of mass = 9.63222504271 -0.575635628256 -0.0240652079359 TCL: atom 1: phi = 0.00933570491485 TCL: Center of mass = 9.63393771888 -0.575832233417 -0.023939943866 TCL: atom 1: phi = 0.00992481431836 TCL: Center of mass = 9.63565223153 -0.575975081581 -0.0238437080349 TCL: atom 1: phi = 0.0101946474353 TCL: Center of mass = 9.63737442281 -0.576085645528 -0.0237508852023 TCL: atom 1: phi = 0.010414163009 TCL: Center of mass = 9.63910842965 -0.576157082444 -0.0236442314649 TCL: atom 1: phi = 0.0105532638733 TCL: Center of mass = 9.64085427668 -0.576238504056 -0.0235098822132 TCL: atom 1: phi = 0.010852964015 TCL: Center of mass = 9.64258090195 -0.57629995304 -0.0233353457024 TCL: atom 1: phi = 0.011194160065 TCL: Center of mass = 9.64433744646 -0.576385544215 -0.0231346069566 TCL: atom 1: phi = 0.0116437950787 TCL: Center of mass = 9.64609289827 -0.576482584989 -0.0229326600845 TCL: atom 1: phi = 0.0120598534181 TCL: Center of mass = 9.64790839547 -0.576612197936 -0.0227531146734 TCL: atom 1: phi = 0.012511678837 TCL: Center of mass = 9.64974958743 -0.576766870428 -0.0226105358331 TCL: atom 1: phi = 0.0127329442184 TCL: Center of mass = 9.65165465021 -0.576940013024 -0.0224869440297 TCL: atom 1: phi = 0.0129104624175 TCL: Center of mass = 9.65357970989 -0.577121749088 -0.0223975946212 TCL: atom 1: phi = 0.0129966575309 TCL: Center of mass = 9.65554654574 -0.577302953855 -0.0222996437365 TCL: atom 1: phi = 0.0130812016668 TCL: Center of mass = 9.65752066409 -0.577499911056 -0.0222031686928 TCL: atom 1: phi = 0.0131239185536 TCL: Center of mass = 9.65947852748 -0.577725043534 -0.0221125222484 TCL: atom 1: phi = 0.0133206932967 TCL: Center of mass = 9.66140144982 -0.577971928981 -0.0220131834528 TCL: atom 1: phi = 0.0135592413216 TCL: Center of mass = 9.66327783474 -0.578281189781 -0.0218949532996 TCL: atom 1: phi = 0.0138861192014 TCL: Center of mass = 9.66509284252 -0.578628660995 -0.0217707603406 TCL: atom 1: phi = 0.0141131777039 TCL: Center of mass = 9.66686909785 -0.579032981697 -0.0216478302335 TCL: atom 1: phi = 0.0142483241044 TCL: Center of mass = 9.66859216297 -0.579471562921 -0.0215349290072 TCL: atom 1: phi = 0.0141916975778 TCL: Center of mass = 9.67031561111 -0.579934673193 -0.0214187788554 TCL: atom 1: phi = 0.0140334134565 TCL: Center of mass = 9.67201576091 -0.580417586267 -0.0213236161704 TCL: atom 1: phi = 0.0137365816427 TCL: Center of mass = 9.67370359252 -0.580915012864 -0.02121937271 TCL: atom 1: phi = 0.0135064557354 TCL: Center of mass = 9.67535633845 -0.581404328881 -0.0210837698434 TCL: atom 1: phi = 0.0132826548809 TCL: Center of mass = 9.6770022838 -0.581896959231 -0.0209064417303 TCL: atom 1: phi = 0.0133199760312 TCL: Center of mass = 9.67859938791 -0.582360869618 -0.0207015963307 TCL: atom 1: phi = 0.0135000866591 TCL: Center of mass = 9.68016152861 -0.582821027739 -0.0204555202744 TCL: atom 1: phi = 0.0139611280661 TCL: Center of mass = 9.68169012378 -0.583280145754 -0.0201894687712 TCL: atom 1: phi = 0.0145308492172 TCL: Center of mass = 9.68320092274 -0.583732324786 -0.0198873557041 TCL: atom 1: phi = 0.0152522040221 TCL: Center of mass = 9.68470559588 -0.584190478888 -0.019582827444 TCL: atom 1: phi = 0.0158736483297 TCL: Center of mass = 9.68623234542 -0.584682026832 -0.0192833857392 TCL: atom 1: phi = 0.0165336795195 TCL: Center of mass = 9.68777833167 -0.585178791586 -0.0189945051995 TCL: atom 1: phi = 0.0170747189115 TCL: Center of mass = 9.68938428556 -0.585717786329 -0.0187283055624 TCL: atom 1: phi = 0.0176663963257 TCL: Center of mass = 9.69102328509 -0.586261016003 -0.0184634713954 TCL: atom 1: phi = 0.0182290129881 TCL: Center of mass = 9.69269584792 -0.586815449928 -0.0182034065151 TCL: atom 1: phi = 0.0189505262291 TCL: Center of mass = 9.69439718 -0.587379444797 -0.0179584433362 TCL: atom 1: phi = 0.0196949510344 TCL: Center of mass = 9.69611033277 -0.587950864257 -0.0177254830356 TCL: atom 1: phi = 0.0205932133093 TCL: Center of mass = 9.69781699537 -0.588508819025 -0.0175189951248 TCL: atom 1: phi = 0.0213449497945 TCL: Center of mass = 9.69950648956 -0.589067817373 -0.0173266938624 TCL: atom 1: phi = 0.0219263104561 TCL: Center of mass = 9.70118695534 -0.589644590013 -0.0171690658058 TCL: atom 1: phi = 0.0220558321424 WRITING COORDINATES TO DCD FILE AT STEP 7300 WRITING COORDINATES TO RESTART FILE AT STEP 7300 FINISHED WRITING RESTART COORDINATES TIMING: 7300 CPU: 389.008, 0.0532719/step Wall: 467.146, 0.0632742/step, 0.223217 hours remaining, 13608 kB of memory in use. ENERGY: 7300 3469.2964 2459.3303 388.2033 37.4201 -44723.6142 4186.1468 0.0000 0.0000 9680.7004 -24502.5170 286.9753 -24354.5506 -24367.0414 288.9732 1386.1948 -1044.8189 125000.0000 -1276.9494 -1273.7050 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7300 WRITING VELOCITIES TO RESTART FILE AT STEP 7300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 9.70287184252 -0.590240371149 -0.0169956970768 TCL: atom 1: phi = 0.0219411293492 TCL: Center of mass = 9.70457144371 -0.59083662626 -0.016843252485 TCL: atom 1: phi = 0.0213951827536 TCL: Center of mass = 9.70630666342 -0.591472878433 -0.0166911735103 TCL: atom 1: phi = 0.0206030310504 TCL: Center of mass = 9.70803289395 -0.592110357707 -0.0165117831122 TCL: atom 1: phi = 0.0194882141963 TCL: Center of mass = 9.70977184708 -0.592745484928 -0.0162956039279 TCL: atom 1: phi = 0.0182877965648 TCL: Center of mass = 9.71149441039 -0.593349365084 -0.0160352719039 TCL: atom 1: phi = 0.0168957377268 TCL: Center of mass = 9.71320195415 -0.593920737863 -0.0157609785471 TCL: atom 1: phi = 0.0154878673186 TCL: Center of mass = 9.71489950486 -0.594416191156 -0.0154703795104 TCL: atom 1: phi = 0.013991789338 TCL: Center of mass = 9.71657669243 -0.594844893932 -0.0151650461448 TCL: atom 1: phi = 0.0125493438215 TCL: Center of mass = 9.7182542165 -0.595209371122 -0.0148568508951 TCL: atom 1: phi = 0.0110135735749 TCL: Center of mass = 9.71994318289 -0.595560259417 -0.0145248997972 TCL: atom 1: phi = 0.00958533358408 TCL: Center of mass = 9.72164457123 -0.595880328075 -0.0141571503003 TCL: atom 1: phi = 0.00807539562316 TCL: Center of mass = 9.72333488367 -0.596241926467 -0.0137638383031 TCL: atom 1: phi = 0.00674896768368 TCL: Center of mass = 9.72504899608 -0.596611072084 -0.0133324798153 TCL: atom 1: phi = 0.00548876534028 TCL: Center of mass = 9.72678889815 -0.597015006105 -0.0128861831215 TCL: atom 1: phi = 0.00452245188407 TCL: Center of mass = 9.72853671839 -0.597430281499 -0.012420928902 TCL: atom 1: phi = 0.00371363218437 TCL: Center of mass = 9.73030581078 -0.597846165374 -0.0119557915268 TCL: atom 1: phi = 0.00323215775439 TCL: Center of mass = 9.73207275434 -0.598230560658 -0.0114911275651 TCL: atom 1: phi = 0.00284199264588 TCL: Center of mass = 9.73383905227 -0.598599145203 -0.0110542831355 TCL: atom 1: phi = 0.00266052172768 TCL: Center of mass = 9.73560308819 -0.598940552051 -0.0106466891951 TCL: atom 1: phi = 0.0023728964902 TCL: Center of mass = 9.73735734835 -0.599275322229 -0.0102635025656 TCL: atom 1: phi = 0.00210848232509 TCL: Center of mass = 9.73911741072 -0.599625196471 -0.00986631849437 TCL: atom 1: phi = 0.0016195229568 TCL: Center of mass = 9.74087815517 -0.59999811269 -0.00947749238455 TCL: atom 1: phi = 0.00110284784283 TCL: Center of mass = 9.74261691755 -0.600424366377 -0.00907182331137 TCL: atom 1: phi = 0.000366811048526 TCL: Center of mass = 9.744329353 -0.600916343033 -0.00863820739153 TCL: atom 1: phi = -0.000359423303628 TCL: Center of mass = 9.74602026919 -0.601452674869 -0.00818024133853 TCL: atom 1: phi = -0.00119809466994 TCL: Center of mass = 9.74766292718 -0.602033872216 -0.007730677167 TCL: atom 1: phi = -0.00190846225406 TCL: Center of mass = 9.74926826069 -0.60260301734 -0.00729185535698 TCL: atom 1: phi = -0.0027049460024 TCL: Center of mass = 9.75085610137 -0.603173689984 -0.0068714140136 TCL: atom 1: phi = -0.00342365327509 TCL: Center of mass = 9.75240973723 -0.603678593979 -0.00644337857957 TCL: atom 1: phi = -0.00428977577676 TCL: Center of mass = 9.75395775563 -0.604166165944 -0.00602117496846 TCL: atom 1: phi = -0.00508377370099 TCL: Center of mass = 9.75546825057 -0.604615217753 -0.00556374287312 TCL: atom 1: phi = -0.00612746988498 TCL: Center of mass = 9.75695937614 -0.605060559336 -0.00507723383928 TCL: atom 1: phi = -0.0070493352719 TCL: Center of mass = 9.75843924839 -0.605500498459 -0.00455386147205 TCL: atom 1: phi = -0.00810798685707 TCL: Center of mass = 9.75991754456 -0.605977806282 -0.00399000019601 TCL: atom 1: phi = -0.00899147687412 TCL: Center of mass = 9.76138548936 -0.606455385653 -0.00337644889503 TCL: atom 1: phi = -0.00991572084958 TCL: Center of mass = 9.7628617115 -0.60696700227 -0.00276624914319 TCL: atom 1: phi = -0.0106924153342 TCL: Center of mass = 9.76434497159 -0.607489127019 -0.00215326892278 TCL: atom 1: phi = -0.011496440807 TCL: Center of mass = 9.76584729152 -0.608005587793 -0.00157351424551 TCL: atom 1: phi = -0.0122107266371 TCL: Center of mass = 9.76737012575 -0.608490615045 -0.00102887467397 TCL: atom 1: phi = -0.0131374351973 TCL: Center of mass = 9.76892475142 -0.608930949464 -0.000555519076336 TCL: atom 1: phi = -0.0141389282645 TCL: Center of mass = 9.77049681545 -0.609330731367 -0.000112862074143 TCL: atom 1: phi = -0.0154304510896 TCL: Center of mass = 9.77209441534 -0.609699601655 0.000295857211543 TCL: atom 1: phi = -0.0168412571006 TCL: Center of mass = 9.7736801733 -0.610041736231 0.000691315997215 TCL: atom 1: phi = -0.0186082158123 TCL: Center of mass = 9.77528886557 -0.610366103086 0.00108627996206 TCL: atom 1: phi = -0.0204730684848 TCL: Center of mass = 9.77691652713 -0.610694662007 0.00148410583318 TCL: atom 1: phi = -0.0225869836758 TCL: Center of mass = 9.77859213117 -0.611048070849 0.00188258456388 TCL: atom 1: phi = -0.0246674032157 TCL: Center of mass = 9.78028771701 -0.611411411619 0.0022493434068 TCL: atom 1: phi = -0.0268399504121 TCL: Center of mass = 9.78201909649 -0.611797474409 0.00257482326358 TCL: atom 1: phi = -0.0289063780034 TCL: Center of mass = 9.78376877526 -0.612162735212 0.00286461603724 TCL: atom 1: phi = -0.0310498479431 TCL: Center of mass = 9.78554282903 -0.612509291045 0.00313420352135 TCL: atom 1: phi = -0.0330663155051 TCL: Center of mass = 9.78732797347 -0.612830148524 0.00336956054101 TCL: atom 1: phi = -0.0350978316092 TCL: Center of mass = 9.78910837892 -0.613106997159 0.00362861053397 TCL: atom 1: phi = -0.0369463233725 TCL: Center of mass = 9.79086861183 -0.613369709423 0.00391655516486 TCL: atom 1: phi = -0.0387189143523 TCL: Center of mass = 9.79262396719 -0.613627833305 0.00422950690249 TCL: atom 1: phi = -0.0401545473295 TCL: Center of mass = 9.79434883384 -0.613886352991 0.00455593962127 TCL: atom 1: phi = -0.041441324544 TCL: Center of mass = 9.79605087204 -0.614143345532 0.0049018211218 TCL: atom 1: phi = -0.0422758318595 TCL: Center of mass = 9.79773438579 -0.614406222629 0.005245095968 TCL: atom 1: phi = -0.0428135893669 TCL: Center of mass = 9.79940238406 -0.614704384178 0.00560635915706 TCL: atom 1: phi = -0.0429673442977 TCL: Center of mass = 9.80106671004 -0.615022825533 0.00595792766818 TCL: atom 1: phi = -0.0430564084065 TCL: Center of mass = 9.80274123501 -0.615374758604 0.00630413894519 TCL: atom 1: phi = -0.0429799328231 TCL: Center of mass = 9.80441428015 -0.61573167409 0.00663028729149 TCL: atom 1: phi = -0.0429099271933 TCL: Center of mass = 9.80608726216 -0.616075337201 0.0069581176298 TCL: atom 1: phi = -0.0427415396766 TCL: Center of mass = 9.80772248197 -0.616388925133 0.00727192182093 TCL: atom 1: phi = -0.0426918203979 TCL: Center of mass = 9.80933785601 -0.616665251375 0.00760274197943 TCL: atom 1: phi = -0.0425899024039 TCL: Center of mass = 9.81092671276 -0.616905849153 0.00792011699593 TCL: atom 1: phi = -0.042598539641 TCL: Center of mass = 9.81249111615 -0.617128760387 0.00822396895189 TCL: atom 1: phi = -0.0425826093668 TCL: Center of mass = 9.81403856254 -0.617327719468 0.00850490575627 TCL: atom 1: phi = -0.0427302200372 TCL: Center of mass = 9.81560623948 -0.617528103942 0.00875948388658 TCL: atom 1: phi = -0.0429022860617 TCL: Center of mass = 9.81717659426 -0.617724504771 0.00897762270466 TCL: atom 1: phi = -0.0432256262811 TCL: Center of mass = 9.81875928956 -0.617935152396 0.00917553146802 TCL: atom 1: phi = -0.0435061674564 TCL: Center of mass = 9.82035285014 -0.618165473987 0.00934576073265 TCL: atom 1: phi = -0.0438749751162 TCL: Center of mass = 9.82195806124 -0.618411659921 0.00951390555517 TCL: atom 1: phi = -0.0441366026026 TCL: Center of mass = 9.82356872788 -0.618653827842 0.00966850079373 TCL: atom 1: phi = -0.0443715417782 TCL: Center of mass = 9.82518373147 -0.618887530878 0.00983205988457 TCL: atom 1: phi = -0.0444047007689 TCL: Center of mass = 9.82677470074 -0.619085730838 0.00997612393578 TCL: atom 1: phi = -0.0443151378366 TCL: Center of mass = 9.82835650664 -0.619271477735 0.0101107123242 TCL: atom 1: phi = -0.0439304289515 TCL: Center of mass = 9.82993206732 -0.619437369419 0.0101972816453 TCL: atom 1: phi = -0.043418605786 TCL: Center of mass = 9.83153358609 -0.619600160695 0.0102554798019 TCL: atom 1: phi = -0.0426558531243 TCL: Center of mass = 9.83314208544 -0.61976572259 0.0102692537334 TCL: atom 1: phi = -0.0418038462806 TCL: Center of mass = 9.83477156391 -0.619959921502 0.0102437635316 TCL: atom 1: phi = -0.0407998677196 TCL: Center of mass = 9.83643975367 -0.620178663135 0.0102016106164 TCL: atom 1: phi = -0.0398737225101 TCL: Center of mass = 9.83812991266 -0.620422712384 0.0101681112959 TCL: atom 1: phi = -0.0388229342694 TCL: Center of mass = 9.8398257636 -0.620668807875 0.0101268461347 TCL: atom 1: phi = -0.0378792906837 TCL: Center of mass = 9.84153198348 -0.620937336787 0.0101010378058 TCL: atom 1: phi = -0.0368750527377 TCL: Center of mass = 9.84322930987 -0.621178301602 0.010062314655 TCL: atom 1: phi = -0.0360010738205 TCL: Center of mass = 9.84494183558 -0.621380832168 0.0100253206046 TCL: atom 1: phi = -0.0351404424542 TCL: Center of mass = 9.8466299138 -0.621531856715 0.00996001727053 TCL: atom 1: phi = -0.0344350041307 TCL: Center of mass = 9.84831742244 -0.621627242356 0.00988513810124 TCL: atom 1: phi = -0.0337956962269 TCL: Center of mass = 9.84999742081 -0.621669969958 0.00977580840238 TCL: atom 1: phi = -0.0333961647015 TCL: Center of mass = 9.85169128579 -0.621716044606 0.00964079093414 TCL: atom 1: phi = -0.0331555986491 TCL: Center of mass = 9.85336906507 -0.621745350121 0.00948670992533 TCL: atom 1: phi = -0.033236227824 TCL: Center of mass = 9.85504113975 -0.621797095883 0.00934046907487 TCL: atom 1: phi = -0.0333918230575 TCL: Center of mass = 9.85670350034 -0.62185934445 0.00918328723036 TCL: atom 1: phi = -0.0336695753239 TCL: Center of mass = 9.85837193125 -0.621931704826 0.00902134840597 TCL: atom 1: phi = -0.0339838987093 TCL: Center of mass = 9.86000786986 -0.621978385027 0.0088543681926 TCL: atom 1: phi = -0.0343669945569 TCL: Center of mass = 9.86161697126 -0.621998698562 0.00866472855628 TCL: atom 1: phi = -0.0346205697533 TCL: Center of mass = 9.86320016823 -0.621941687209 0.00844577344503 TCL: atom 1: phi = -0.0349016235803 TCL: Center of mass = 9.86477060049 -0.621818578784 0.00821855240352 TCL: atom 1: phi = -0.0350408642009 TCL: Center of mass = 9.86633421911 -0.621627604895 0.00797595420568 TCL: atom 1: phi = -0.0352188852551 WRITING COORDINATES TO DCD FILE AT STEP 7400 WRITING COORDINATES TO RESTART FILE AT STEP 7400 FINISHED WRITING RESTART COORDINATES TIMING: 7400 CPU: 394.352, 0.0534419/step Wall: 473.425, 0.0627905/step, 0.219767 hours remaining, 13608 kB of memory in use. ENERGY: 7400 3375.8859 2469.6066 374.9223 32.4804 -44630.9833 4166.0096 0.0000 0.0000 9727.3211 -24484.7573 288.3574 -24339.0252 -24342.5096 289.1694 1365.1752 -980.2966 125000.0000 -1093.5276 -1093.2768 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7400 WRITING VELOCITIES TO RESTART FILE AT STEP 7400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 9.867922733 -0.621406032302 0.00772852403888 TCL: atom 1: phi = -0.0353464352797 TCL: Center of mass = 9.86950413698 -0.621184555202 0.00747486721353 TCL: atom 1: phi = -0.0355960206996 TCL: Center of mass = 9.87110327609 -0.621005100577 0.00722843907813 TCL: atom 1: phi = -0.03584204645 TCL: Center of mass = 9.8727110842 -0.620856055942 0.00701095033792 TCL: atom 1: phi = -0.036218588059 TCL: Center of mass = 9.87433701053 -0.620755058361 0.00681166088087 TCL: atom 1: phi = -0.0366663945968 TCL: Center of mass = 9.87595790312 -0.620675632943 0.0066290947546 TCL: atom 1: phi = -0.0372209498545 TCL: Center of mass = 9.87758483091 -0.620628642183 0.00645167433604 TCL: atom 1: phi = -0.0378209990687 TCL: Center of mass = 9.87920043927 -0.620582385095 0.00623884241245 TCL: atom 1: phi = -0.038565319673 TCL: Center of mass = 9.88082378673 -0.620528176058 0.00600769217083 TCL: atom 1: phi = -0.0392966964288 TCL: Center of mass = 9.88244404623 -0.620440320361 0.00576306361625 TCL: atom 1: phi = -0.0402461300829 TCL: Center of mass = 9.88406875687 -0.620337230833 0.0055111136815 TCL: atom 1: phi = -0.0412744601195 TCL: Center of mass = 9.88564954947 -0.620226495078 0.00528187608022 TCL: atom 1: phi = -0.0425424807072 TCL: Center of mass = 9.88723149569 -0.620146456837 0.00509051430955 TCL: atom 1: phi = -0.0438686410898 TCL: Center of mass = 9.88878268632 -0.620095889937 0.00493899111559 TCL: atom 1: phi = -0.0453057324016 TCL: Center of mass = 9.89033567605 -0.620103238195 0.00483258848064 TCL: atom 1: phi = -0.0466655735235 TCL: Center of mass = 9.89185760185 -0.620139411854 0.00477713304142 TCL: atom 1: phi = -0.0479217598327 TCL: Center of mass = 9.89337282981 -0.620205506304 0.00474617520207 TCL: atom 1: phi = -0.0489251932601 TCL: Center of mass = 9.89485461378 -0.620253573071 0.00472693244539 TCL: atom 1: phi = -0.0497456215642 TCL: Center of mass = 9.89632209097 -0.620292695294 0.00472173144231 TCL: atom 1: phi = -0.0502379586491 TCL: Center of mass = 9.89776056226 -0.620288647872 0.0047262396009 TCL: atom 1: phi = -0.0506026619788 TCL: Center of mass = 9.89920655379 -0.620261636934 0.00476521801939 TCL: atom 1: phi = -0.0507125732649 TCL: Center of mass = 9.90064904217 -0.62018918561 0.00482184613126 TCL: atom 1: phi = -0.0506903987161 TCL: Center of mass = 9.90208684841 -0.620070817402 0.0049173331598 TCL: atom 1: phi = -0.0504894155893 TCL: Center of mass = 9.90348843826 -0.619921128276 0.00503923379707 TCL: atom 1: phi = -0.0502430716829 TCL: Center of mass = 9.90486884879 -0.619798103775 0.00520167144759 TCL: atom 1: phi = -0.0498714201205 TCL: Center of mass = 9.90624534864 -0.619683040218 0.00536876374191 TCL: atom 1: phi = -0.0495123424221 TCL: Center of mass = 9.90763792068 -0.619601207746 0.00554314771316 TCL: atom 1: phi = -0.0490226484386 TCL: Center of mass = 9.90904186452 -0.619515459204 0.00571181941255 TCL: atom 1: phi = -0.0486141228849 TCL: Center of mass = 9.91047354585 -0.61943711971 0.00584673920451 TCL: atom 1: phi = -0.04819747055 TCL: Center of mass = 9.91191621129 -0.619348640429 0.00595881433405 TCL: atom 1: phi = -0.0479527963305 TCL: Center of mass = 9.91339369576 -0.619259757525 0.00606111464505 TCL: atom 1: phi = -0.0477361010635 TCL: Center of mass = 9.91490358075 -0.61914127655 0.00617300539774 TCL: atom 1: phi = -0.0477616415489 TCL: Center of mass = 9.91643888833 -0.619020505698 0.00627674758483 TCL: atom 1: phi = -0.0478203939498 TCL: Center of mass = 9.91797161507 -0.618891660719 0.00640486977085 TCL: atom 1: phi = -0.0480918412828 TCL: Center of mass = 9.91950718936 -0.618789080244 0.00652427118269 TCL: atom 1: phi = -0.0484004642493 TCL: Center of mass = 9.92104673248 -0.618690961722 0.00665756666213 TCL: atom 1: phi = -0.0487914370555 TCL: Center of mass = 9.9225920673 -0.618635008129 0.00677605338041 TCL: atom 1: phi = -0.0490645650477 TCL: Center of mass = 9.92414495143 -0.618585972313 0.00687122677984 TCL: atom 1: phi = -0.0491634518999 TCL: Center of mass = 9.92569700621 -0.61856291019 0.00691827268138 TCL: atom 1: phi = -0.0489803808124 TCL: Center of mass = 9.92724716632 -0.618538289184 0.00694841256392 TCL: atom 1: phi = -0.048550880857 TCL: Center of mass = 9.9288022471 -0.618536584824 0.00694651635187 TCL: atom 1: phi = -0.0477913478131 TCL: Center of mass = 9.93033281615 -0.618504948271 0.00695357726792 TCL: atom 1: phi = -0.0468048235495 TCL: Center of mass = 9.93184019265 -0.618451585016 0.00696218884428 TCL: atom 1: phi = -0.0455541923861 TCL: Center of mass = 9.93330277702 -0.618361005712 0.00698686239653 TCL: atom 1: phi = -0.044183935111 TCL: Center of mass = 9.93474400884 -0.618246390529 0.00702515128011 TCL: atom 1: phi = -0.0425967675404 TCL: Center of mass = 9.93614434708 -0.61806328295 0.00706771687561 TCL: atom 1: phi = -0.0409551082999 TCL: Center of mass = 9.93752924313 -0.617881978873 0.00708397639825 TCL: atom 1: phi = -0.0390876622232 TCL: Center of mass = 9.93887105839 -0.617666947308 0.00708740277176 TCL: atom 1: phi = -0.0371672411581 TCL: Center of mass = 9.94020577731 -0.617446060798 0.00706901731832 TCL: atom 1: phi = -0.0351049320359 TCL: Center of mass = 9.94153605567 -0.617208151663 0.00704112440421 TCL: atom 1: phi = -0.0331357461944 TCL: Center of mass = 9.94288674757 -0.616997108964 0.00700799659994 TCL: atom 1: phi = -0.0312446682561 TCL: Center of mass = 9.94422025463 -0.616804954566 0.0069984279554 TCL: atom 1: phi = -0.0296227231021 TCL: Center of mass = 9.94555867446 -0.61661914474 0.00701110306359 TCL: atom 1: phi = -0.0281368246652 TCL: Center of mass = 9.94689335091 -0.616409253524 0.00704558455514 TCL: atom 1: phi = -0.0270591335009 TCL: Center of mass = 9.94825359087 -0.616192989132 0.00709183529939 TCL: atom 1: phi = -0.0261112559826 TCL: Center of mass = 9.94961782629 -0.615943313481 0.00714602417375 TCL: atom 1: phi = -0.025406263901 TCL: Center of mass = 9.95100227648 -0.615697295904 0.00721756472922 TCL: atom 1: phi = -0.0246595577177 TCL: Center of mass = 9.95239163193 -0.615449123994 0.00728548801318 TCL: atom 1: phi = -0.0239206486295 TCL: Center of mass = 9.95381341723 -0.615225356953 0.00735216194654 TCL: atom 1: phi = -0.0230494123648 TCL: Center of mass = 9.95524662781 -0.615037327362 0.00741556326741 TCL: atom 1: phi = -0.0221341412908 TCL: Center of mass = 9.95670095762 -0.614921305559 0.00747542421354 TCL: atom 1: phi = -0.021091918879 TCL: Center of mass = 9.95814899717 -0.614838352499 0.00755256580266 TCL: atom 1: phi = -0.0200388150653 TCL: Center of mass = 9.9596076847 -0.61482405682 0.00762815721542 TCL: atom 1: phi = -0.0188735047131 TCL: Center of mass = 9.96104062547 -0.614838882293 0.00771513114344 TCL: atom 1: phi = -0.0178384302313 TCL: Center of mass = 9.9624849563 -0.61488349516 0.0077862984426 TCL: atom 1: phi = -0.0168139536907 TCL: Center of mass = 9.96391130878 -0.614926205364 0.00785475872259 TCL: atom 1: phi = -0.0159448492728 TCL: Center of mass = 9.96533098717 -0.614962579856 0.0078990669627 TCL: atom 1: phi = -0.0150944864347 TCL: Center of mass = 9.96673448598 -0.614974747833 0.00792011525296 TCL: atom 1: phi = -0.0143921787322 TCL: Center of mass = 9.96816582131 -0.614983309932 0.00791955507583 TCL: atom 1: phi = -0.0136536137906 TCL: Center of mass = 9.96959307247 -0.61496247079 0.00791027696929 TCL: atom 1: phi = -0.0130890757364 TCL: Center of mass = 9.97103077384 -0.614944105623 0.00789236161541 TCL: atom 1: phi = -0.0125826657323 TCL: Center of mass = 9.97245035247 -0.614943506418 0.00786824403121 TCL: atom 1: phi = -0.0124043558893 TCL: Center of mass = 9.97384971285 -0.614980220472 0.0078710590821 TCL: atom 1: phi = -0.0123958383346 TCL: Center of mass = 9.97521430776 -0.615004993738 0.0078484775105 TCL: atom 1: phi = -0.0128156248389 TCL: Center of mass = 9.97654063222 -0.615023522531 0.00782951704275 TCL: atom 1: phi = -0.0134658370417 TCL: Center of mass = 9.977845685 -0.614981217399 0.00778389980738 TCL: atom 1: phi = -0.0144483501158 TCL: Center of mass = 9.97917823386 -0.614885349546 0.0077122276005 TCL: atom 1: phi = -0.0155025795395 TCL: Center of mass = 9.98051063408 -0.614687974053 0.00759863806801 TCL: atom 1: phi = -0.0167467331738 TCL: Center of mass = 9.98189424675 -0.614433597654 0.0074730705624 TCL: atom 1: phi = -0.0178649987201 TCL: Center of mass = 9.98330286074 -0.614123951308 0.0073449229504 TCL: atom 1: phi = -0.0190307425838 TCL: Center of mass = 9.9847546098 -0.613792611045 0.00723554417021 TCL: atom 1: phi = -0.0199966812872 TCL: Center of mass = 9.98621125182 -0.613434439075 0.00715530910491 TCL: atom 1: phi = -0.0209266296809 TCL: Center of mass = 9.98767657871 -0.613096665944 0.00707748209874 TCL: atom 1: phi = -0.0216408429199 TCL: Center of mass = 9.98909030449 -0.612781432712 0.00700539374375 TCL: atom 1: phi = -0.0223859572537 TCL: Center of mass = 9.9905037232 -0.612499812579 0.00690932943929 TCL: atom 1: phi = -0.022936383098 TCL: Center of mass = 9.99189443087 -0.612201711693 0.00679528710325 TCL: atom 1: phi = -0.0234975125701 TCL: Center of mass = 9.99327890053 -0.611879760698 0.00665339243428 TCL: atom 1: phi = -0.0238146947348 TCL: Center of mass = 9.99464482747 -0.61153477614 0.00648535598358 TCL: atom 1: phi = -0.024028180554 TCL: Center of mass = 9.99602680484 -0.611166447286 0.0062822215912 TCL: atom 1: phi = -0.0239226051814 TCL: Center of mass = 9.99738640174 -0.6107796767 0.00604573302953 TCL: atom 1: phi = -0.0237531215696 TCL: Center of mass = 9.99876939606 -0.610415836364 0.00580791143202 TCL: atom 1: phi = -0.0233137698464 TCL: Center of mass = 10.0001279433 -0.610087019758 0.00559937667698 TCL: atom 1: phi = -0.0228703716539 TCL: Center of mass = 10.0014951396 -0.609811966467 0.00541492142382 TCL: atom 1: phi = -0.022401783799 TCL: Center of mass = 10.0028336212 -0.609568413133 0.00524389758337 TCL: atom 1: phi = -0.0220377746269 TCL: Center of mass = 10.0041627413 -0.609361910263 0.00507358694387 TCL: atom 1: phi = -0.0216601706587 TCL: Center of mass = 10.0054414092 -0.609183157997 0.00489537911641 TCL: atom 1: phi = -0.0215149249953 TCL: Center of mass = 10.0067022652 -0.609008518373 0.00470282570834 TCL: atom 1: phi = -0.0214407603305 TCL: Center of mass = 10.0079328073 -0.608775005254 0.00448057855774 TCL: atom 1: phi = -0.0215484301599 TCL: Center of mass = 10.0091853809 -0.608504888998 0.00425569289422 TCL: atom 1: phi = -0.0216101595205 TCL: Center of mass = 10.0104494745 -0.608193363041 0.00401871419772 TCL: atom 1: phi = -0.0216657574562 WRITING COORDINATES TO DCD FILE AT STEP 7500 WRITING COORDINATES TO RESTART FILE AT STEP 7500 FINISHED WRITING RESTART COORDINATES TIMING: 7500 CPU: 399.674, 0.0532219/step Wall: 479.749, 0.0632332/step, 0.21956 hours remaining, 13608 kB of memory in use. ENERGY: 7500 3380.2128 2539.6347 391.5022 38.7194 -44821.6551 4283.7180 0.0000 0.0000 9730.8716 -24456.9965 288.4626 -24310.5654 -24315.1889 290.5689 1249.7950 -958.4033 125000.0000 -1063.7038 -1061.7620 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7500 WRITING VELOCITIES TO RESTART FILE AT STEP 7500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.0117449266 -0.607861643326 0.00380054015957 TCL: atom 1: phi = -0.0215854220266 TCL: Center of mass = 10.0130519124 -0.607477210228 0.0036235304465 TCL: atom 1: phi = -0.0214675514596 TCL: Center of mass = 10.0143791363 -0.607112724994 0.00345536027344 TCL: atom 1: phi = -0.0211017289776 TCL: Center of mass = 10.0156908619 -0.606742506139 0.00331779398003 TCL: atom 1: phi = -0.0206708994153 TCL: Center of mass = 10.0170003212 -0.606408403885 0.00322186893782 TCL: atom 1: phi = -0.0200641746982 TCL: Center of mass = 10.018269676 -0.606089524901 0.00314248001203 TCL: atom 1: phi = -0.0194771940042 TCL: Center of mass = 10.0195313068 -0.605785816594 0.00306586322642 TCL: atom 1: phi = -0.0187377600678 TCL: Center of mass = 10.0207605626 -0.605453231774 0.00298878341282 TCL: atom 1: phi = -0.0180542084136 TCL: Center of mass = 10.0219656017 -0.605119396778 0.00290487629273 TCL: atom 1: phi = -0.0172106031896 TCL: Center of mass = 10.0231398215 -0.604756182173 0.00282878225836 TCL: atom 1: phi = -0.0163117268232 TCL: Center of mass = 10.0243194873 -0.60440307719 0.00275683668164 TCL: atom 1: phi = -0.0152571271833 TCL: Center of mass = 10.0254647409 -0.604064321028 0.00269551469745 TCL: atom 1: phi = -0.0142446911693 TCL: Center of mass = 10.0266165385 -0.603780010656 0.00265947822879 TCL: atom 1: phi = -0.013157739957 TCL: Center of mass = 10.0277594142 -0.603515116343 0.00266124512794 TCL: atom 1: phi = -0.012256568114 TCL: Center of mass = 10.0289027985 -0.603318146608 0.00268390901055 TCL: atom 1: phi = -0.0114169643205 TCL: Center of mass = 10.0300116069 -0.603170747651 0.00270830161124 TCL: atom 1: phi = -0.0108835117229 TCL: Center of mass = 10.0311167475 -0.603033623582 0.00274008312366 TCL: atom 1: phi = -0.010453678446 TCL: Center of mass = 10.0321865053 -0.602896498678 0.00274664299708 TCL: atom 1: phi = -0.0102099061132 TCL: Center of mass = 10.0332462072 -0.602761698053 0.00272617049885 TCL: atom 1: phi = -0.00996487950094 TCL: Center of mass = 10.0342733107 -0.602600128395 0.00268659346308 TCL: atom 1: phi = -0.00988179601625 TCL: Center of mass = 10.0353150971 -0.602432053094 0.00262637224643 TCL: atom 1: phi = -0.00965446418423 TCL: Center of mass = 10.0363343343 -0.602206911245 0.00256066991107 TCL: atom 1: phi = -0.00938735195257 TCL: Center of mass = 10.0373733053 -0.601978967112 0.00248355128594 TCL: atom 1: phi = -0.00884318599151 TCL: Center of mass = 10.0383957361 -0.601746063634 0.00238673175645 TCL: atom 1: phi = -0.00824027467527 TCL: Center of mass = 10.0394384039 -0.60152403613 0.00228759072091 TCL: atom 1: phi = -0.00738083397353 TCL: Center of mass = 10.0404790876 -0.601286105939 0.00216953201359 TCL: atom 1: phi = -0.00645915426396 TCL: Center of mass = 10.0415395145 -0.601083871542 0.00204379659387 TCL: atom 1: phi = -0.00535751940758 TCL: Center of mass = 10.0426019094 -0.600886409923 0.00189883616736 TCL: atom 1: phi = -0.0042946092455 TCL: Center of mass = 10.0436596921 -0.600710936086 0.00175171557124 TCL: atom 1: phi = -0.00309479547253 TCL: Center of mass = 10.0446916754 -0.600531430674 0.00159588203737 TCL: atom 1: phi = -0.0018928239115 TCL: Center of mass = 10.0456951425 -0.600378200018 0.00142408140519 TCL: atom 1: phi = -0.000430189487113 TCL: Center of mass = 10.0466497533 -0.600229155705 0.00123653945875 TCL: atom 1: phi = 0.00105763767842 TCL: Center of mass = 10.0475929832 -0.600129601904 0.00103429127158 TCL: atom 1: phi = 0.00277108156098 TCL: Center of mass = 10.0485115035 -0.600047594755 0.000821922347826 TCL: atom 1: phi = 0.00447808826577 TCL: Center of mass = 10.0494475748 -0.600009509975 0.000583499954636 TCL: atom 1: phi = 0.00624432517212 TCL: Center of mass = 10.0503588503 -0.600015369623 0.000330261564474 TCL: atom 1: phi = 0.00779347436567 TCL: Center of mass = 10.0512660418 -0.600068926601 6.38597843911e-05 TCL: atom 1: phi = 0.00919120795903 TCL: Center of mass = 10.0521544749 -0.600146423639 -0.000221129776483 TCL: atom 1: phi = 0.0102541054674 TCL: Center of mass = 10.0530470576 -0.600277030577 -0.000506861952608 TCL: atom 1: phi = 0.0112224456725 TCL: Center of mass = 10.0539314489 -0.60044430004 -0.000771902158271 TCL: atom 1: phi = 0.0119308894328 TCL: Center of mass = 10.0547964071 -0.60064619593 -0.00101842825233 TCL: atom 1: phi = 0.0125293610349 TCL: Center of mass = 10.0556159863 -0.600844770355 -0.00122200263155 TCL: atom 1: phi = 0.0129440454673 TCL: Center of mass = 10.0564176308 -0.601077212152 -0.00139859455568 TCL: atom 1: phi = 0.0135013601461 TCL: Center of mass = 10.0571881616 -0.601282447939 -0.00155787179619 TCL: atom 1: phi = 0.0139696384923 TCL: Center of mass = 10.0579654162 -0.601453352448 -0.0017230080208 TCL: atom 1: phi = 0.0146424117085 TCL: Center of mass = 10.0587533787 -0.601573964204 -0.00185887162104 TCL: atom 1: phi = 0.0152586026073 TCL: Center of mass = 10.0595709857 -0.601653864931 -0.0020002919365 TCL: atom 1: phi = 0.0160134731887 TCL: Center of mass = 10.0604048958 -0.601686150829 -0.0021039370739 TCL: atom 1: phi = 0.0165655730005 TCL: Center of mass = 10.0612960929 -0.601705289893 -0.00219546489079 TCL: atom 1: phi = 0.0171863334597 TCL: Center of mass = 10.0621807917 -0.601710780832 -0.00226377406387 TCL: atom 1: phi = 0.0176532845314 TCL: Center of mass = 10.0630712105 -0.60175610907 -0.00230308773106 TCL: atom 1: phi = 0.0182573953455 TCL: Center of mass = 10.0639327729 -0.601787995031 -0.00233893884282 TCL: atom 1: phi = 0.0187763520384 TCL: Center of mass = 10.0647825493 -0.60184030029 -0.00237108860509 TCL: atom 1: phi = 0.0194969635386 TCL: Center of mass = 10.0656160929 -0.601854151241 -0.00240011658354 TCL: atom 1: phi = 0.0201611690076 TCL: Center of mass = 10.0664483288 -0.601847367034 -0.00244002627648 TCL: atom 1: phi = 0.0209971780795 TCL: Center of mass = 10.0672615333 -0.601792627681 -0.00250142083992 TCL: atom 1: phi = 0.0216916520213 TCL: Center of mass = 10.0681213729 -0.601715847829 -0.0025834401552 TCL: atom 1: phi = 0.0224012600301 TCL: Center of mass = 10.0690043676 -0.601617130148 -0.00268308876762 TCL: atom 1: phi = 0.0228421675147 TCL: Center of mass = 10.0699299576 -0.601545004696 -0.00277826095607 TCL: atom 1: phi = 0.023266199897 TCL: Center of mass = 10.0708527028 -0.601518079572 -0.00287373260501 TCL: atom 1: phi = 0.0234135302684 TCL: Center of mass = 10.0717874214 -0.601557391797 -0.0029491090416 TCL: atom 1: phi = 0.023531686042 TCL: Center of mass = 10.0727139734 -0.601654535589 -0.00299523824776 TCL: atom 1: phi = 0.0234764703827 TCL: Center of mass = 10.0736311377 -0.601789804314 -0.00303016152566 TCL: atom 1: phi = 0.0234953759917 TCL: Center of mass = 10.0745240027 -0.601937427853 -0.00306377197109 TCL: atom 1: phi = 0.0234105734756 TCL: Center of mass = 10.0753843414 -0.60207153808 -0.00309035317615 TCL: atom 1: phi = 0.0235239332154 TCL: Center of mass = 10.0762143486 -0.602157325436 -0.00311530017903 TCL: atom 1: phi = 0.0236510336751 TCL: Center of mass = 10.0770513606 -0.602209869807 -0.0031489163868 TCL: atom 1: phi = 0.0239496446381 TCL: Center of mass = 10.0779044059 -0.602207308142 -0.00318086783212 TCL: atom 1: phi = 0.0242116348472 TCL: Center of mass = 10.0787976428 -0.602203262189 -0.0032086028506 TCL: atom 1: phi = 0.0246296505144 TCL: Center of mass = 10.0797326888 -0.602180613789 -0.00320432618939 TCL: atom 1: phi = 0.0249178072711 TCL: Center of mass = 10.0807279813 -0.602171776446 -0.00316587835081 TCL: atom 1: phi = 0.0252750237111 TCL: Center of mass = 10.0817607881 -0.602172994464 -0.00306952368859 TCL: atom 1: phi = 0.0255667270594 TCL: Center of mass = 10.0828075967 -0.602209037646 -0.00297594914052 TCL: atom 1: phi = 0.0260107261579 TCL: Center of mass = 10.0838604852 -0.602259207504 -0.0028883391463 TCL: atom 1: phi = 0.0264056599502 TCL: Center of mass = 10.0848890958 -0.602319840903 -0.00279021286885 TCL: atom 1: phi = 0.0269061087673 TCL: Center of mass = 10.0859339501 -0.602373375535 -0.00268693088703 TCL: atom 1: phi = 0.0272728417005 TCL: Center of mass = 10.0869806645 -0.602398932949 -0.00262135358782 TCL: atom 1: phi = 0.0277047151936 TCL: Center of mass = 10.088038701 -0.602395092718 -0.00258621384889 TCL: atom 1: phi = 0.0279456729278 TCL: Center of mass = 10.0891293356 -0.602360366258 -0.00256073533772 TCL: atom 1: phi = 0.0281545820556 TCL: Center of mass = 10.0902420443 -0.602304785587 -0.00254642425793 TCL: atom 1: phi = 0.028090278703 TCL: Center of mass = 10.091383663 -0.60225503549 -0.0025149685213 TCL: atom 1: phi = 0.0279053780131 TCL: Center of mass = 10.0925530392 -0.60223575089 -0.00245940072581 TCL: atom 1: phi = 0.0274052211605 TCL: Center of mass = 10.0937401313 -0.602255382975 -0.00236555963374 TCL: atom 1: phi = 0.0269184208946 TCL: Center of mass = 10.0949279389 -0.602321435293 -0.00223541649014 TCL: atom 1: phi = 0.0263327745157 TCL: Center of mass = 10.0960936044 -0.602429146319 -0.0020865711121 TCL: atom 1: phi = 0.025899944943 TCL: Center of mass = 10.0972408017 -0.602526253553 -0.0019380992344 TCL: atom 1: phi = 0.0255054465397 TCL: Center of mass = 10.0983667487 -0.602628380389 -0.00177049358146 TCL: atom 1: phi = 0.0253452254624 TCL: Center of mass = 10.0994646727 -0.602697063734 -0.00159635272859 TCL: atom 1: phi = 0.0251956386352 TCL: Center of mass = 10.1005630977 -0.602754012303 -0.0014385667599 TCL: atom 1: phi = 0.0252198909214 TCL: Center of mass = 10.1016524764 -0.602781112212 -0.00126528363333 TCL: atom 1: phi = 0.0252335145068 TCL: Center of mass = 10.1027473698 -0.602804668518 -0.00106186247247 TCL: atom 1: phi = 0.0254244921177 TCL: Center of mass = 10.1038250161 -0.602845811029 -0.000827112345352 TCL: atom 1: phi = 0.0256102447916 TCL: Center of mass = 10.1049091738 -0.602932332997 -0.000542699405911 TCL: atom 1: phi = 0.0260336007567 TCL: Center of mass = 10.1059784802 -0.603042544531 -0.000247159834363 TCL: atom 1: phi = 0.0265536884924 TCL: Center of mass = 10.1070599863 -0.603166526254 4.05059057123e-05 TCL: atom 1: phi = 0.0273430879142 TCL: Center of mass = 10.1081519875 -0.60328176431 0.00032573380799 TCL: atom 1: phi = 0.0282418884504 TCL: Center of mass = 10.1092505953 -0.603401977051 0.000567697009422 TCL: atom 1: phi = 0.0293557777954 TCL: Center of mass = 10.1103349251 -0.60351666018 0.000761003912883 TCL: atom 1: phi = 0.0304098048864 TCL: Center of mass = 10.1114266207 -0.603612975972 0.000884084262835 TCL: atom 1: phi = 0.0315234634768 TCL: Center of mass = 10.1125063809 -0.603695411461 0.00095274357079 TCL: atom 1: phi = 0.032465478831 WRITING COORDINATES TO DCD FILE AT STEP 7600 WRITING COORDINATES TO RESTART FILE AT STEP 7600 FINISHED WRITING RESTART COORDINATES TIMING: 7600 CPU: 405.028, 0.0535419/step Wall: 486.046, 0.0629702/step, 0.216897 hours remaining, 13608 kB of memory in use. ENERGY: 7600 3402.6663 2505.0125 384.7436 38.8761 -44894.6756 4238.9225 0.0000 0.0000 9790.1995 -24534.2551 290.2213 -24387.3608 -24392.0668 290.4336 1094.8931 -951.6875 125000.0000 -951.4570 -959.6583 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7600 WRITING VELOCITIES TO RESTART FILE AT STEP 7600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.1135800469 -0.603772501615 0.000986288665738 TCL: atom 1: phi = 0.0333297753878 TCL: Center of mass = 10.114640941 -0.603847192677 0.000996345491815 TCL: atom 1: phi = 0.0338640764 TCL: Center of mass = 10.1157171362 -0.603948212319 0.000988641301658 TCL: atom 1: phi = 0.0342871894284 TCL: Center of mass = 10.1167768306 -0.604060585261 0.000964238840156 TCL: atom 1: phi = 0.034426170557 TCL: Center of mass = 10.1178326075 -0.604211407813 0.000934190628729 TCL: atom 1: phi = 0.0344783627109 TCL: Center of mass = 10.1188947612 -0.604375795957 0.000887736400972 TCL: atom 1: phi = 0.0343151238121 TCL: Center of mass = 10.1199544805 -0.604574456038 0.000835002427054 TCL: atom 1: phi = 0.0341784417147 TCL: Center of mass = 10.1209975259 -0.604784046741 0.000779211714633 TCL: atom 1: phi = 0.0338377815687 TCL: Center of mass = 10.1220218608 -0.605016252886 0.000723829838827 TCL: atom 1: phi = 0.0334911913023 TCL: Center of mass = 10.1230109074 -0.605246849185 0.000673735283144 TCL: atom 1: phi = 0.0329817408086 TCL: Center of mass = 10.1239824529 -0.605485254994 0.000623287056434 TCL: atom 1: phi = 0.0324553567319 TCL: Center of mass = 10.1249037192 -0.605682661944 0.000576713877029 TCL: atom 1: phi = 0.0316904544265 TCL: Center of mass = 10.1257869764 -0.605873683806 0.000550125584142 TCL: atom 1: phi = 0.0309319112974 TCL: Center of mass = 10.1266556912 -0.60602758061 0.000535707456068 TCL: atom 1: phi = 0.030047880663 TCL: Center of mass = 10.1275190748 -0.60618761299 0.000500400366302 TCL: atom 1: phi = 0.029208733321 TCL: Center of mass = 10.1283995494 -0.606319369795 0.000465910822651 TCL: atom 1: phi = 0.0282820332561 TCL: Center of mass = 10.1292917704 -0.606478455823 0.000440978450275 TCL: atom 1: phi = 0.0274505818146 TCL: Center of mass = 10.1301976012 -0.606646286079 0.000415742428947 TCL: atom 1: phi = 0.0266314275195 TCL: Center of mass = 10.1310957387 -0.606846993729 0.000379088615523 TCL: atom 1: phi = 0.0259536496035 TCL: Center of mass = 10.1319715665 -0.607057405033 0.000336224026267 TCL: atom 1: phi = 0.02516946838 TCL: Center of mass = 10.1328315122 -0.607293282108 0.000273633803138 TCL: atom 1: phi = 0.0244195737386 TCL: Center of mass = 10.1336786115 -0.607496724385 0.000194667412936 TCL: atom 1: phi = 0.0234735603772 TCL: Center of mass = 10.1345281574 -0.60766199556 0.000102648515627 TCL: atom 1: phi = 0.0225161112813 TCL: Center of mass = 10.1354051819 -0.607784295996 -2.10176533375e-05 TCL: atom 1: phi = 0.0214543803961 TCL: Center of mass = 10.1362961938 -0.607888715114 -0.000171314499743 TCL: atom 1: phi = 0.0205045682002 TCL: Center of mass = 10.1372576914 -0.607973780257 -0.000344874565531 TCL: atom 1: phi = 0.0195457089601 TCL: Center of mass = 10.1382729181 -0.608073285531 -0.000530336817974 TCL: atom 1: phi = 0.0188169035748 TCL: Center of mass = 10.1393459401 -0.608175546088 -0.000701708266056 TCL: atom 1: phi = 0.0182256886298 TCL: Center of mass = 10.1404326288 -0.608309960749 -0.000860032516471 TCL: atom 1: phi = 0.0179162740401 TCL: Center of mass = 10.1415480473 -0.6084457063 -0.000982407391297 TCL: atom 1: phi = 0.0177132021035 TCL: Center of mass = 10.1426703027 -0.608630610167 -0.00108033146608 TCL: atom 1: phi = 0.0178619363209 TCL: Center of mass = 10.143790021 -0.60881497064 -0.00115632681768 TCL: atom 1: phi = 0.0181066859961 TCL: Center of mass = 10.1448816493 -0.608988168016 -0.00122741032366 TCL: atom 1: phi = 0.0185966060966 TCL: Center of mass = 10.1459686071 -0.609141287411 -0.00130779882662 TCL: atom 1: phi = 0.0191343781083 TCL: Center of mass = 10.1470265564 -0.609246140771 -0.00140143724419 TCL: atom 1: phi = 0.0199597767323 TCL: Center of mass = 10.1480990987 -0.609303120348 -0.00149478129676 TCL: atom 1: phi = 0.0207819094809 TCL: Center of mass = 10.1491867222 -0.609342562007 -0.00157206890095 TCL: atom 1: phi = 0.0218515883375 TCL: Center of mass = 10.1502921762 -0.60936077328 -0.00161714433639 TCL: atom 1: phi = 0.0228902091807 TCL: Center of mass = 10.1514137518 -0.609388724118 -0.00162355407663 TCL: atom 1: phi = 0.0240528183417 TCL: Center of mass = 10.1525506944 -0.6094370349 -0.00160971106354 TCL: atom 1: phi = 0.0250188166155 TCL: Center of mass = 10.1536997931 -0.609520142358 -0.00158194276347 TCL: atom 1: phi = 0.0259241655986 TCL: Center of mass = 10.1548382996 -0.609627939514 -0.00155223563562 TCL: atom 1: phi = 0.02645196839 TCL: Center of mass = 10.1559543118 -0.609745997093 -0.00153984626275 TCL: atom 1: phi = 0.026820535828 TCL: Center of mass = 10.1570535239 -0.609833406166 -0.00156528273528 TCL: atom 1: phi = 0.0267801107065 TCL: Center of mass = 10.1581270408 -0.60989537077 -0.00161779702034 TCL: atom 1: phi = 0.0266059684523 TCL: Center of mass = 10.1592068895 -0.609907708132 -0.00170148387591 TCL: atom 1: phi = 0.026072323888 TCL: Center of mass = 10.1603015424 -0.609912599428 -0.00180188639588 TCL: atom 1: phi = 0.0253927222506 TCL: Center of mass = 10.1614408647 -0.609890881395 -0.0019352096762 TCL: atom 1: phi = 0.02441330493 TCL: Center of mass = 10.1626133909 -0.609882891215 -0.00206012876418 TCL: atom 1: phi = 0.0234579704776 TCL: Center of mass = 10.1638183937 -0.60986967728 -0.00217962406217 TCL: atom 1: phi = 0.0223157264437 TCL: Center of mass = 10.165030359 -0.609897667468 -0.00227770829589 TCL: atom 1: phi = 0.0213005075149 TCL: Center of mass = 10.1662807938 -0.609954744088 -0.00236741471467 TCL: atom 1: phi = 0.0202182982824 TCL: Center of mass = 10.1675390085 -0.610053881684 -0.00245039285347 TCL: atom 1: phi = 0.0193424504422 TCL: Center of mass = 10.1688230504 -0.610123317501 -0.00253037600236 TCL: atom 1: phi = 0.0184634842833 TCL: Center of mass = 10.1701054784 -0.610192498673 -0.0026375740236 TCL: atom 1: phi = 0.0178625516115 TCL: Center of mass = 10.171396716 -0.610200229555 -0.00274661299402 TCL: atom 1: phi = 0.0173033374085 TCL: Center of mass = 10.1727012447 -0.610165215793 -0.00284707380648 TCL: atom 1: phi = 0.0170727583581 TCL: Center of mass = 10.1740120538 -0.610077366049 -0.0029330585409 TCL: atom 1: phi = 0.0168871307883 TCL: Center of mass = 10.1753331595 -0.609971839254 -0.00297850444293 TCL: atom 1: phi = 0.0170682289481 TCL: Center of mass = 10.176643081 -0.609828942248 -0.00298197849491 TCL: atom 1: phi = 0.0173604681452 TCL: Center of mass = 10.1779557429 -0.609713866576 -0.00295745049002 TCL: atom 1: phi = 0.0179739324592 TCL: Center of mass = 10.1792416236 -0.609606919547 -0.0028929789842 TCL: atom 1: phi = 0.0186109715956 TCL: Center of mass = 10.180538899 -0.609542284718 -0.00279220694446 TCL: atom 1: phi = 0.0193859957267 TCL: Center of mass = 10.1818261888 -0.609479023314 -0.00267828428054 TCL: atom 1: phi = 0.0200387578735 TCL: Center of mass = 10.1831008857 -0.609426103479 -0.00258356574032 TCL: atom 1: phi = 0.0207850038481 TCL: Center of mass = 10.1843532857 -0.609340327117 -0.00252204691287 TCL: atom 1: phi = 0.0213392290569 TCL: Center of mass = 10.185589723 -0.609228600784 -0.00250610382701 TCL: atom 1: phi = 0.0219333372476 TCL: Center of mass = 10.1868020492 -0.609068667647 -0.00251218913708 TCL: atom 1: phi = 0.0224085854521 TCL: Center of mass = 10.188015697 -0.608907407706 -0.0025338371901 TCL: atom 1: phi = 0.022882156313 TCL: Center of mass = 10.1892109368 -0.608718070606 -0.00253258412965 TCL: atom 1: phi = 0.0232017939984 TCL: Center of mass = 10.19039248 -0.608537048565 -0.002502030332 TCL: atom 1: phi = 0.0235401705491 TCL: Center of mass = 10.1915787136 -0.608361431297 -0.00244259469298 TCL: atom 1: phi = 0.0237519591074 TCL: Center of mass = 10.192759508 -0.608227117849 -0.00236871316917 TCL: atom 1: phi = 0.0239528644355 TCL: Center of mass = 10.1939640741 -0.608115190622 -0.00229219569995 TCL: atom 1: phi = 0.0240261593572 TCL: Center of mass = 10.1952105277 -0.608038607098 -0.00221004334033 TCL: atom 1: phi = 0.0241298713042 TCL: Center of mass = 10.1965009322 -0.607972030245 -0.00213312012794 TCL: atom 1: phi = 0.0241579660688 TCL: Center of mass = 10.1978423712 -0.607927211989 -0.00202657712843 TCL: atom 1: phi = 0.0242635443952 TCL: Center of mass = 10.1992218521 -0.607870215591 -0.00191967294919 TCL: atom 1: phi = 0.024310809742 TCL: Center of mass = 10.2006055874 -0.607814995456 -0.001782070183 TCL: atom 1: phi = 0.0244898560369 TCL: Center of mass = 10.2019924143 -0.607732221971 -0.00162236963258 TCL: atom 1: phi = 0.0247175510118 TCL: Center of mass = 10.2033636151 -0.607669653225 -0.00142054974116 TCL: atom 1: phi = 0.0250599059485 TCL: Center of mass = 10.2047268603 -0.607597174325 -0.00118462471593 TCL: atom 1: phi = 0.0253203851535 TCL: Center of mass = 10.2060945465 -0.607531769399 -0.000909693274838 TCL: atom 1: phi = 0.0255663402258 TCL: Center of mass = 10.2074668682 -0.607475411692 -0.000611196118167 TCL: atom 1: phi = 0.0255888364533 TCL: Center of mass = 10.2088493931 -0.607450922203 -0.000284769043345 TCL: atom 1: phi = 0.0254783564479 TCL: Center of mass = 10.2102360465 -0.607444230641 4.98952050807e-05 TCL: atom 1: phi = 0.0250553829982 TCL: Center of mass = 10.2116225957 -0.607493976743 0.000375365745655 TCL: atom 1: phi = 0.0244938845202 TCL: Center of mass = 10.2129535673 -0.60755880127 0.000704228765877 TCL: atom 1: phi = 0.0236425514531 TCL: Center of mass = 10.2142539028 -0.607649779425 0.00103816263136 TCL: atom 1: phi = 0.0226853761772 TCL: Center of mass = 10.2154680762 -0.607727892559 0.00134315234433 TCL: atom 1: phi = 0.0215459411221 TCL: Center of mass = 10.2166254824 -0.607825298218 0.00165344987167 TCL: atom 1: phi = 0.0204043220308 TCL: Center of mass = 10.2176960896 -0.607899268232 0.00196088967513 TCL: atom 1: phi = 0.0191985839314 TCL: Center of mass = 10.2187280389 -0.607988699889 0.00225163128875 TCL: atom 1: phi = 0.0180987751837 TCL: Center of mass = 10.2197179531 -0.608071899727 0.0025502683857 TCL: atom 1: phi = 0.0170436554898 TCL: Center of mass = 10.2207251668 -0.608175374926 0.00284565889508 TCL: atom 1: phi = 0.0162155115543 TCL: Center of mass = 10.2216999399 -0.608294468563 0.0031431674452 TCL: atom 1: phi = 0.0154460147296 TCL: Center of mass = 10.2226971429 -0.608469205289 0.00344119413237 TCL: atom 1: phi = 0.0149048299322 TCL: Center of mass = 10.2237036511 -0.608651607023 0.00372320475149 TCL: atom 1: phi = 0.0145114454196 TCL: Center of mass = 10.2247684014 -0.608867622512 0.00400533780214 TCL: atom 1: phi = 0.0144106784491 TCL: Center of mass = 10.2258395322 -0.609062085474 0.00427228192772 TCL: atom 1: phi = 0.014450301749 WRITING COORDINATES TO DCD FILE AT STEP 7700 WRITING COORDINATES TO RESTART FILE AT STEP 7700 FINISHED WRITING RESTART COORDINATES TIMING: 7700 CPU: 410.376, 0.0534719/step Wall: 492.358, 0.0631267/step, 0.215683 hours remaining, 13608 kB of memory in use. ENERGY: 7700 3392.3914 2481.2712 385.5421 38.8619 -44830.2844 4236.3105 0.0000 0.0000 9732.1301 -24563.7771 288.4999 -24418.2108 -24417.9811 290.3812 1335.9643 -906.8337 125000.0000 -971.5767 -974.9484 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7700 WRITING VELOCITIES TO RESTART FILE AT STEP 7700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.2269214332 -0.609257697441 0.004545452298 TCL: atom 1: phi = 0.0147834728787 TCL: Center of mass = 10.2280163887 -0.609427980993 0.00479095320987 TCL: atom 1: phi = 0.0152356620926 TCL: Center of mass = 10.2291443662 -0.609578834603 0.00502253401321 TCL: atom 1: phi = 0.0158908020557 TCL: Center of mass = 10.2303124686 -0.609696684174 0.00523977316048 TCL: atom 1: phi = 0.0165706412931 TCL: Center of mass = 10.2315472441 -0.609800041617 0.00546410726006 TCL: atom 1: phi = 0.0173555507164 TCL: Center of mass = 10.2328418693 -0.609906881027 0.0056991140791 TCL: atom 1: phi = 0.0180909269161 TCL: Center of mass = 10.2342087823 -0.610044819667 0.0059602595993 TCL: atom 1: phi = 0.0188844124812 TCL: Center of mass = 10.2356216398 -0.610206031562 0.0062628073452 TCL: atom 1: phi = 0.0195765604728 TCL: Center of mass = 10.2370746397 -0.61040745614 0.00658232500655 TCL: atom 1: phi = 0.0202370338356 TCL: Center of mass = 10.2385501737 -0.610634830928 0.00691037256469 TCL: atom 1: phi = 0.0207097938035 TCL: Center of mass = 10.240011792 -0.610879541292 0.00723187465213 TCL: atom 1: phi = 0.0212618313296 TCL: Center of mass = 10.2414398558 -0.611093221804 0.00752978584691 TCL: atom 1: phi = 0.0217326083572 TCL: Center of mass = 10.2428639246 -0.611318183163 0.00781122375287 TCL: atom 1: phi = 0.0222522585995 TCL: Center of mass = 10.2442763112 -0.611509051665 0.00808768963292 TCL: atom 1: phi = 0.0227616995991 TCL: Center of mass = 10.2456975403 -0.611667805823 0.00837747529134 TCL: atom 1: phi = 0.0234088726668 TCL: Center of mass = 10.2471059084 -0.611843050998 0.00867399699947 TCL: atom 1: phi = 0.0241274810424 TCL: Center of mass = 10.2485143543 -0.612044608115 0.00901909246412 TCL: atom 1: phi = 0.025073165527 TCL: Center of mass = 10.2499070712 -0.612263024818 0.00938839989156 TCL: atom 1: phi = 0.0260509014593 TCL: Center of mass = 10.2513028124 -0.612554293473 0.00979304607838 TCL: atom 1: phi = 0.0272638502145 TCL: Center of mass = 10.2526575257 -0.612876306636 0.0102233827256 TCL: atom 1: phi = 0.0285336517467 TCL: Center of mass = 10.2539950519 -0.613246167929 0.0106484508173 TCL: atom 1: phi = 0.0300874044333 TCL: Center of mass = 10.2553111308 -0.613616740158 0.0110666770656 TCL: atom 1: phi = 0.0316548487371 TCL: Center of mass = 10.2566127248 -0.613977601242 0.0114435094326 TCL: atom 1: phi = 0.0334082703068 TCL: Center of mass = 10.2579047927 -0.614300180077 0.0117775597912 TCL: atom 1: phi = 0.0351234478702 TCL: Center of mass = 10.2591901917 -0.614606228567 0.0120899359891 TCL: atom 1: phi = 0.0369162861174 TCL: Center of mass = 10.2604615686 -0.614902005492 0.0123750677157 TCL: atom 1: phi = 0.038531334037 TCL: Center of mass = 10.261763252 -0.615194895781 0.012663938345 TCL: atom 1: phi = 0.0400825321273 TCL: Center of mass = 10.2630844948 -0.615475331154 0.0129485884338 TCL: atom 1: phi = 0.0413670272988 TCL: Center of mass = 10.2644420185 -0.615799700753 0.013248154499 TCL: atom 1: phi = 0.0425623780447 TCL: Center of mass = 10.2658326366 -0.616144797156 0.0135543819626 TCL: atom 1: phi = 0.0432740238887 TCL: Center of mass = 10.2672838924 -0.616530803552 0.0138563047522 TCL: atom 1: phi = 0.0437885044608 TCL: Center of mass = 10.2687428858 -0.61692066666 0.0141192775032 TCL: atom 1: phi = 0.043883207855 TCL: Center of mass = 10.2701982522 -0.617323984625 0.0143389882186 TCL: atom 1: phi = 0.0437964822234 TCL: Center of mass = 10.2716709785 -0.617683219744 0.0144939094751 TCL: atom 1: phi = 0.0433066778219 TCL: Center of mass = 10.2731782691 -0.618025022616 0.0145953477903 TCL: atom 1: phi = 0.0426674784298 TCL: Center of mass = 10.274678424 -0.618308654395 0.0146478807759 TCL: atom 1: phi = 0.0417475729941 TCL: Center of mass = 10.2761859063 -0.618572075955 0.0146911655135 TCL: atom 1: phi = 0.0407943497972 TCL: Center of mass = 10.2776663337 -0.618794341624 0.0147520341134 TCL: atom 1: phi = 0.0397038183661 TCL: Center of mass = 10.2791543342 -0.619031211295 0.014853404897 TCL: atom 1: phi = 0.0387485035804 TCL: Center of mass = 10.2806216045 -0.619294550498 0.014983369168 TCL: atom 1: phi = 0.0378079046179 TCL: Center of mass = 10.2820658821 -0.619617427426 0.0151301097109 TCL: atom 1: phi = 0.0371073624097 TCL: Center of mass = 10.2834706025 -0.619957341983 0.0152821773548 TCL: atom 1: phi = 0.0365085846885 TCL: Center of mass = 10.2848698665 -0.620343512233 0.0154384155509 TCL: atom 1: phi = 0.0362242008714 TCL: Center of mass = 10.2862531261 -0.620699234991 0.0155752050302 TCL: atom 1: phi = 0.036050162216 TCL: Center of mass = 10.2876357107 -0.621036800571 0.0157124935426 TCL: atom 1: phi = 0.036168846412 TCL: Center of mass = 10.2889800313 -0.621317732723 0.0158341235455 TCL: atom 1: phi = 0.0363493140273 TCL: Center of mass = 10.2903216106 -0.621557671541 0.015962491634 TCL: atom 1: phi = 0.0367358713572 TCL: Center of mass = 10.2916515347 -0.621725344615 0.0161344474046 TCL: atom 1: phi = 0.037113687149 TCL: Center of mass = 10.2929738524 -0.621877455369 0.016343936498 TCL: atom 1: phi = 0.0375464154706 TCL: Center of mass = 10.2942943131 -0.622011304207 0.0165606430762 TCL: atom 1: phi = 0.0378654068245 TCL: Center of mass = 10.2956223252 -0.622163434781 0.0167820575817 TCL: atom 1: phi = 0.0381385603445 TCL: Center of mass = 10.2969626097 -0.622293158829 0.0170048204518 TCL: atom 1: phi = 0.0381822541816 TCL: Center of mass = 10.2983240982 -0.622434632193 0.0172037185237 TCL: atom 1: phi = 0.0381833402327 TCL: Center of mass = 10.2997050492 -0.622554310318 0.0173695635546 TCL: atom 1: phi = 0.0378701617072 TCL: Center of mass = 10.3011165283 -0.622665257787 0.0175075478555 TCL: atom 1: phi = 0.0375145797778 TCL: Center of mass = 10.3025538169 -0.622705920202 0.0176098003685 TCL: atom 1: phi = 0.0369717299368 TCL: Center of mass = 10.3040180361 -0.622709544118 0.0176924898852 TCL: atom 1: phi = 0.0364679404947 TCL: Center of mass = 10.3054840717 -0.622637515571 0.0177710623228 TCL: atom 1: phi = 0.0358441646076 TCL: Center of mass = 10.3069659986 -0.622550843797 0.0178382389386 TCL: atom 1: phi = 0.0352874847806 TCL: Center of mass = 10.3084412679 -0.622428803453 0.0179198119385 TCL: atom 1: phi = 0.0347185674623 TCL: Center of mass = 10.3099269776 -0.622297490333 0.0180151681822 TCL: atom 1: phi = 0.0342625366985 TCL: Center of mass = 10.3114010614 -0.62217807949 0.0181218611181 TCL: atom 1: phi = 0.033749351453 TCL: Center of mass = 10.3128823153 -0.622104425732 0.0182135125292 TCL: atom 1: phi = 0.0333876349767 TCL: Center of mass = 10.3143562051 -0.622076401496 0.0183226658691 TCL: atom 1: phi = 0.0330680909001 TCL: Center of mass = 10.3158405277 -0.622116741327 0.0184372635022 TCL: atom 1: phi = 0.0329618722036 TCL: Center of mass = 10.3172959586 -0.622179819056 0.0185531989549 TCL: atom 1: phi = 0.0328633908725 TCL: Center of mass = 10.3187557451 -0.622271453622 0.0186795857933 TCL: atom 1: phi = 0.032892536742 TCL: Center of mass = 10.3201776146 -0.622358069153 0.0188178030806 TCL: atom 1: phi = 0.0328780337615 TCL: Center of mass = 10.3215728004 -0.6224463523 0.0189564638663 TCL: atom 1: phi = 0.0329609954003 TCL: Center of mass = 10.3229271379 -0.622498163511 0.0191052890522 TCL: atom 1: phi = 0.0329323615758 TCL: Center of mass = 10.3242691456 -0.622552504429 0.0192686572125 TCL: atom 1: phi = 0.0329488741746 TCL: Center of mass = 10.3256044401 -0.622598919855 0.0194548926371 TCL: atom 1: phi = 0.0327899003381 TCL: Center of mass = 10.3269468332 -0.622665017012 0.0196487436161 TCL: atom 1: phi = 0.0325685172292 TCL: Center of mass = 10.3283243274 -0.622738850177 0.019841156198 TCL: atom 1: phi = 0.0320951879018 TCL: Center of mass = 10.3297298193 -0.622844948295 0.020034260771 TCL: atom 1: phi = 0.0315336669964 TCL: Center of mass = 10.3311515962 -0.622981171131 0.0202305302301 TCL: atom 1: phi = 0.0306653746386 TCL: Center of mass = 10.3325978061 -0.623152918028 0.0204490124176 TCL: atom 1: phi = 0.0297753585208 TCL: Center of mass = 10.3340381192 -0.623315172955 0.0206846334128 TCL: atom 1: phi = 0.0287568605681 TCL: Center of mass = 10.3354663588 -0.62349383235 0.0209417826174 TCL: atom 1: phi = 0.0279249723072 TCL: Center of mass = 10.3368877772 -0.623684931152 0.0212101120132 TCL: atom 1: phi = 0.0270856102006 TCL: Center of mass = 10.3383105821 -0.623876224555 0.0215121157949 TCL: atom 1: phi = 0.026566444196 TCL: Center of mass = 10.3397357366 -0.624061321834 0.021816709144 TCL: atom 1: phi = 0.0261978847974 TCL: Center of mass = 10.3411782968 -0.624232786319 0.0221204719264 TCL: atom 1: phi = 0.0261843279912 TCL: Center of mass = 10.3426397439 -0.624406691192 0.0224413986083 TCL: atom 1: phi = 0.0262809062391 TCL: Center of mass = 10.3441082857 -0.624603777664 0.022802389278 TCL: atom 1: phi = 0.0266502917067 TCL: Center of mass = 10.3455949331 -0.624825575475 0.0231939423872 TCL: atom 1: phi = 0.027116841044 TCL: Center of mass = 10.3471009789 -0.625091153388 0.0236082704498 TCL: atom 1: phi = 0.0278636096321 TCL: Center of mass = 10.3485824299 -0.625390452599 0.02404822819 TCL: atom 1: phi = 0.0286461366434 TCL: Center of mass = 10.3500526786 -0.625706667734 0.0245047607307 TCL: atom 1: phi = 0.0296147686264 TCL: Center of mass = 10.3514862639 -0.625997769588 0.0249702705964 TCL: atom 1: phi = 0.0305094930744 TCL: Center of mass = 10.3528738457 -0.626264778372 0.0254326238363 TCL: atom 1: phi = 0.0315023458092 TCL: Center of mass = 10.3542186278 -0.626468073013 0.025917601137 TCL: atom 1: phi = 0.032351749795 TCL: Center of mass = 10.3555341313 -0.626604314149 0.0264014558535 TCL: atom 1: phi = 0.0331220434335 TCL: Center of mass = 10.3568145522 -0.626686447473 0.0268956643549 TCL: atom 1: phi = 0.0335538161518 TCL: Center of mass = 10.3580890437 -0.626734172009 0.0274146496014 TCL: atom 1: phi = 0.0338347851218 TCL: Center of mass = 10.3593585009 -0.626750480304 0.0279739159652 TCL: atom 1: phi = 0.0337124864031 TCL: Center of mass = 10.3606301333 -0.626785873356 0.0285666178268 TCL: atom 1: phi = 0.0334526216885 TCL: Center of mass = 10.3618833322 -0.626849243527 0.029204293023 TCL: atom 1: phi = 0.0328694439848 TCL: Center of mass = 10.3631384312 -0.626949310888 0.0298604282125 TCL: atom 1: phi = 0.0322081900075 TCL: Center of mass = 10.3643632519 -0.62704770811 0.0305292043743 TCL: atom 1: phi = 0.0313150029361 WRITING COORDINATES TO DCD FILE AT STEP 7800 WRITING COORDINATES TO RESTART FILE AT STEP 7800 FINISHED WRITING RESTART COORDINATES TIMING: 7800 CPU: 415.712, 0.0533619/step Wall: 498.693, 0.0633433/step, 0.214663 hours remaining, 13608 kB of memory in use. ENERGY: 7800 3442.9783 2486.6850 377.9736 33.4514 -44807.9009 4232.4607 0.0000 0.0000 9643.9445 -24590.4073 285.8858 -24443.6430 -24449.3953 288.3152 1200.0885 -1016.4092 125000.0000 -924.0010 -923.3434 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7800 WRITING VELOCITIES TO RESTART FILE AT STEP 7800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.3655904228 -0.627146698222 0.0311688897328 TCL: atom 1: phi = 0.0305280807414 TCL: Center of mass = 10.3668377329 -0.627205224422 0.0317823600228 TCL: atom 1: phi = 0.0296279663176 TCL: Center of mass = 10.368143132 -0.627224751203 0.0323730451451 TCL: atom 1: phi = 0.028954252405 TCL: Center of mass = 10.3694921047 -0.627204981156 0.0329726164991 TCL: atom 1: phi = 0.028217860048 TCL: Center of mass = 10.3709162012 -0.627175298097 0.0335559743828 TCL: atom 1: phi = 0.0276810055652 TCL: Center of mass = 10.3724171512 -0.627136422283 0.0341649610363 TCL: atom 1: phi = 0.0270746337978 TCL: Center of mass = 10.3739783416 -0.627121509967 0.0347925771444 TCL: atom 1: phi = 0.026673923709 TCL: Center of mass = 10.3755733981 -0.627159832944 0.0354454137123 TCL: atom 1: phi = 0.0261782706424 TCL: Center of mass = 10.3772097179 -0.627238360477 0.0361151391303 TCL: atom 1: phi = 0.025813197986 TCL: Center of mass = 10.3788792358 -0.627361504669 0.0367737567567 TCL: atom 1: phi = 0.0253914290165 TCL: Center of mass = 10.3805735279 -0.627525775391 0.037399204376 TCL: atom 1: phi = 0.0250629016789 TCL: Center of mass = 10.3822831175 -0.62769903541 0.038007701979 TCL: atom 1: phi = 0.0246292824366 TCL: Center of mass = 10.3839903275 -0.627869769139 0.0385517798876 TCL: atom 1: phi = 0.0243045899847 TCL: Center of mass = 10.3857110613 -0.628015705068 0.0390723305273 TCL: atom 1: phi = 0.0238042674523 TCL: Center of mass = 10.3874270132 -0.628145684764 0.0395916694424 TCL: atom 1: phi = 0.0232986711226 TCL: Center of mass = 10.3891240765 -0.628262352812 0.040156295151 TCL: atom 1: phi = 0.0226102504522 TCL: Center of mass = 10.390829713 -0.628377651396 0.0407481852506 TCL: atom 1: phi = 0.0218689334585 TCL: Center of mass = 10.3925187802 -0.628507125995 0.0413615522167 TCL: atom 1: phi = 0.0208928958703 TCL: Center of mass = 10.3942084878 -0.628672499793 0.042004947799 TCL: atom 1: phi = 0.0199635035704 TCL: Center of mass = 10.3958682867 -0.628855617342 0.0426558006055 TCL: atom 1: phi = 0.0189520474362 TCL: Center of mass = 10.3975148493 -0.629069193128 0.0432897189218 TCL: atom 1: phi = 0.0180885514515 TCL: Center of mass = 10.3991411944 -0.629273525129 0.0438983553097 TCL: atom 1: phi = 0.017289627407 TCL: Center of mass = 10.400765703 -0.629470957293 0.0444908046801 TCL: atom 1: phi = 0.0167512655413 TCL: Center of mass = 10.402398597 -0.629629650453 0.0450700595796 TCL: atom 1: phi = 0.0163169335118 TCL: Center of mass = 10.4040759219 -0.62975223518 0.0456460644949 TCL: atom 1: phi = 0.0161485549215 TCL: Center of mass = 10.4057657775 -0.62982737452 0.0462432682644 TCL: atom 1: phi = 0.0160728062948 TCL: Center of mass = 10.407478862 -0.629898877334 0.0468564703974 TCL: atom 1: phi = 0.0162061160315 TCL: Center of mass = 10.4091921047 -0.629949520658 0.0475003764453 TCL: atom 1: phi = 0.0163386340436 TCL: Center of mass = 10.41092185 -0.630021859505 0.0481643751382 TCL: atom 1: phi = 0.016671187641 TCL: Center of mass = 10.4126512956 -0.630118309054 0.0488286833383 TCL: atom 1: phi = 0.0169571952657 TCL: Center of mass = 10.4144139726 -0.630247489542 0.0494669681914 TCL: atom 1: phi = 0.0173668964419 TCL: Center of mass = 10.4161800329 -0.630397054882 0.0500734296522 TCL: atom 1: phi = 0.0176364609646 TCL: Center of mass = 10.4179682717 -0.630564564682 0.0506490476894 TCL: atom 1: phi = 0.0180635522234 TCL: Center of mass = 10.4197844842 -0.630730944542 0.0511879842056 TCL: atom 1: phi = 0.01836183198 TCL: Center of mass = 10.4216326157 -0.63093932441 0.051705540071 TCL: atom 1: phi = 0.0186889752323 TCL: Center of mass = 10.423473135 -0.631154282753 0.0522452108624 TCL: atom 1: phi = 0.0188328162144 TCL: Center of mass = 10.4253177821 -0.631408914792 0.052780791404 TCL: atom 1: phi = 0.0189278722569 TCL: Center of mass = 10.4271494867 -0.631691851929 0.0533489795601 TCL: atom 1: phi = 0.0187040046074 TCL: Center of mass = 10.4289577019 -0.631985170432 0.0539299898883 TCL: atom 1: phi = 0.0183291361767 TCL: Center of mass = 10.4307348404 -0.632278054057 0.0545183599653 TCL: atom 1: phi = 0.0176531694087 TCL: Center of mass = 10.432479961 -0.63258258937 0.0550924040322 TCL: atom 1: phi = 0.0169741777672 TCL: Center of mass = 10.4342057548 -0.632877177127 0.0556556847041 TCL: atom 1: phi = 0.0162079897757 TCL: Center of mass = 10.4359237635 -0.63318120524 0.0561945780165 TCL: atom 1: phi = 0.0156038779685 TCL: Center of mass = 10.437637337 -0.633459966149 0.0566888553252 TCL: atom 1: phi = 0.0150082474091 TCL: Center of mass = 10.4393772893 -0.633743366127 0.0571648668707 TCL: atom 1: phi = 0.0146952501142 TCL: Center of mass = 10.4411199261 -0.634003383161 0.0576597351769 TCL: atom 1: phi = 0.0144600002613 TCL: Center of mass = 10.4428663415 -0.634274544089 0.0581468125653 TCL: atom 1: phi = 0.0145128294757 TCL: Center of mass = 10.4446313692 -0.63452246481 0.0586386042476 TCL: atom 1: phi = 0.0146335544461 TCL: Center of mass = 10.4464136691 -0.634762779634 0.0591592118342 TCL: atom 1: phi = 0.0149620905346 TCL: Center of mass = 10.4482204205 -0.634972986061 0.0596687773654 TCL: atom 1: phi = 0.0152876007413 TCL: Center of mass = 10.4500249644 -0.635167955604 0.0601767236526 TCL: atom 1: phi = 0.0157952695992 TCL: Center of mass = 10.4518746796 -0.635340788347 0.0606797159145 TCL: atom 1: phi = 0.0163193310096 TCL: Center of mass = 10.4537678378 -0.635515081971 0.0611710007605 TCL: atom 1: phi = 0.0170671103052 TCL: Center of mass = 10.4556898593 -0.635685973934 0.0616353916257 TCL: atom 1: phi = 0.0178745900314 TCL: Center of mass = 10.4576386882 -0.635866940651 0.062085509511 TCL: atom 1: phi = 0.0188480029154 TCL: Center of mass = 10.4595953531 -0.63606406124 0.0625306367042 TCL: atom 1: phi = 0.0197195739899 TCL: Center of mass = 10.4615790596 -0.636309862428 0.0629700095005 TCL: atom 1: phi = 0.0206018670902 TCL: Center of mass = 10.4635331098 -0.636586334091 0.0634152729673 TCL: atom 1: phi = 0.0212170274086 TCL: Center of mass = 10.4654556014 -0.636908853078 0.063862485892 TCL: atom 1: phi = 0.0217857192102 TCL: Center of mass = 10.4673244053 -0.637235225938 0.0642926091665 TCL: atom 1: phi = 0.0220198880449 TCL: Center of mass = 10.469164566 -0.637569088715 0.0647192228225 TCL: atom 1: phi = 0.0221613632295 TCL: Center of mass = 10.4709547784 -0.637903225193 0.0651099514848 TCL: atom 1: phi = 0.0220723155488 TCL: Center of mass = 10.4727204926 -0.63825650825 0.0654782629331 TCL: atom 1: phi = 0.0220351444389 TCL: Center of mass = 10.4744640168 -0.638565880221 0.0658236312759 TCL: atom 1: phi = 0.0218594104671 TCL: Center of mass = 10.4761882186 -0.638903552303 0.0661713957414 TCL: atom 1: phi = 0.0218405221864 TCL: Center of mass = 10.4778840071 -0.639207129593 0.0665061140133 TCL: atom 1: phi = 0.0218875973467 TCL: Center of mass = 10.479574545 -0.639525588907 0.0668382458171 TCL: atom 1: phi = 0.0221205807373 TCL: Center of mass = 10.4812267028 -0.639834852596 0.067161328008 TCL: atom 1: phi = 0.0224016442415 TCL: Center of mass = 10.4828428588 -0.64016357556 0.0674744843339 TCL: atom 1: phi = 0.0228375854236 TCL: Center of mass = 10.4844189689 -0.6404633679 0.0677621599563 TCL: atom 1: phi = 0.0231190862748 TCL: Center of mass = 10.4859774758 -0.6407537096 0.0680327573956 TCL: atom 1: phi = 0.023471413713 TCL: Center of mass = 10.4875499105 -0.641010680844 0.0683000947385 TCL: atom 1: phi = 0.0236912093968 TCL: Center of mass = 10.4891426373 -0.641251511399 0.0685753765821 TCL: atom 1: phi = 0.0239625425711 TCL: Center of mass = 10.4907591531 -0.64143345451 0.0688491869271 TCL: atom 1: phi = 0.0241581848326 TCL: Center of mass = 10.4923882773 -0.641595868553 0.0691296033966 TCL: atom 1: phi = 0.0244397438007 TCL: Center of mass = 10.4940276157 -0.64174161283 0.0694072321504 TCL: atom 1: phi = 0.0246667023924 TCL: Center of mass = 10.4956624477 -0.641906222998 0.0696840062113 TCL: atom 1: phi = 0.0249110251498 TCL: Center of mass = 10.4972809896 -0.642081363444 0.0699812603879 TCL: atom 1: phi = 0.0249437857898 TCL: Center of mass = 10.4989057651 -0.642287892059 0.0702766271764 TCL: atom 1: phi = 0.0248278652014 TCL: Center of mass = 10.50053301 -0.642491614344 0.0705425640172 TCL: atom 1: phi = 0.024365211673 TCL: Center of mass = 10.5021657764 -0.642714265071 0.0707827786632 TCL: atom 1: phi = 0.023662738548 TCL: Center of mass = 10.5037865867 -0.642935753675 0.0710031905195 TCL: atom 1: phi = 0.0226208111308 TCL: Center of mass = 10.5053956541 -0.64317188736 0.0712103005407 TCL: atom 1: phi = 0.0215202685344 TCL: Center of mass = 10.5069870045 -0.643391204816 0.0714227034869 TCL: atom 1: phi = 0.0203239395982 TCL: Center of mass = 10.5085679727 -0.643616000288 0.0716467238268 TCL: atom 1: phi = 0.0192841963356 TCL: Center of mass = 10.5101173991 -0.643831129011 0.0718862399997 TCL: atom 1: phi = 0.0183553718796 TCL: Center of mass = 10.5116463367 -0.644078767332 0.0721397763912 TCL: atom 1: phi = 0.0177317465204 TCL: Center of mass = 10.51314158 -0.64434283519 0.0723886462232 TCL: atom 1: phi = 0.0172968871355 TCL: Center of mass = 10.5145973905 -0.64463141519 0.0726102770466 TCL: atom 1: phi = 0.0171394722282 TCL: Center of mass = 10.5160234217 -0.644904729768 0.0728010888207 TCL: atom 1: phi = 0.0169796943771 TCL: Center of mass = 10.5174359043 -0.645200722634 0.072954716697 TCL: atom 1: phi = 0.0169708253866 TCL: Center of mass = 10.5188246664 -0.645476593181 0.0730671795377 TCL: atom 1: phi = 0.0169616126252 TCL: Center of mass = 10.5202270514 -0.645741849784 0.0731604887023 TCL: atom 1: phi = 0.0171448290897 TCL: Center of mass = 10.5216391757 -0.645983672693 0.0732408572093 TCL: atom 1: phi = 0.0174282276739 TCL: Center of mass = 10.5230757401 -0.646198473674 0.0733082059428 TCL: atom 1: phi = 0.0179823815193 TCL: Center of mass = 10.5245364471 -0.646401410573 0.0733899355655 TCL: atom 1: phi = 0.0186839670528 TCL: Center of mass = 10.5260285335 -0.646625097225 0.0734935484484 TCL: atom 1: phi = 0.0196997552493 TCL: Center of mass = 10.5275362979 -0.646839898034 0.0736085341687 TCL: atom 1: phi = 0.0207826444101 TCL: Center of mass = 10.5290481127 -0.647102838739 0.0737391194237 TCL: atom 1: phi = 0.0220280083694 TCL: Center of mass = 10.53055903 -0.647386169219 0.0738714526325 TCL: atom 1: phi = 0.023099914092 TIMING: 7900 CPU: 421.051, 0.0533919/step Wall: 504.983, 0.0628999/step, 0.211414 hours remaining, 13608 kB of memory in use. ENERGY: 7900 3395.5322 2510.9893 383.1168 38.2200 -44749.1015 4160.0085 0.0000 0.0000 9669.3017 -24591.9330 286.6374 -24447.0897 -24445.9902 287.1930 1556.7427 -958.8903 125000.0000 -932.6227 -930.8475 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7900 WRITING COORDINATES TO DCD FILE AT STEP 7900 WRITING COORDINATES TO RESTART FILE AT STEP 7900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.5320686413 -0.64768160016 0.0739855434744 TCL: atom 1: phi = 0.0241216684507 TCL: Center of mass = 10.5335934938 -0.647973849937 0.0740996829441 TCL: atom 1: phi = 0.0248314937502 TCL: Center of mass = 10.5351187251 -0.648272115108 0.0742207962814 TCL: atom 1: phi = 0.025424131184 TCL: Center of mass = 10.5366588042 -0.648568646467 0.0743603454139 TCL: atom 1: phi = 0.0257586455899 TCL: Center of mass = 10.5382095676 -0.648874306345 0.0745034563256 TCL: atom 1: phi = 0.0261767537631 TCL: Center of mass = 10.5397912646 -0.649155878322 0.0746866008112 TCL: atom 1: phi = 0.0265075378387 TCL: Center of mass = 10.5413882895 -0.649467352419 0.0749077126182 TCL: atom 1: phi = 0.02705321747 TCL: Center of mass = 10.5429926363 -0.649773721889 0.0751586013938 TCL: atom 1: phi = 0.0275829463275 TCL: Center of mass = 10.5445961273 -0.650110868136 0.075450335124 TCL: atom 1: phi = 0.0283162459888 TCL: Center of mass = 10.546203039 -0.650418764894 0.0757701823214 TCL: atom 1: phi = 0.0289288499472 TCL: Center of mass = 10.5477985905 -0.65074539475 0.0760784130743 TCL: atom 1: phi = 0.0296207857799 TCL: Center of mass = 10.5493525195 -0.651053058263 0.0763717339547 TCL: atom 1: phi = 0.0300751596767 TCL: Center of mass = 10.5509356584 -0.651370412271 0.0766411468068 TCL: atom 1: phi = 0.0305317540259 TCL: Center of mass = 10.5525035691 -0.651671161728 0.0768920802975 TCL: atom 1: phi = 0.0307905067066 TCL: Center of mass = 10.5540814352 -0.651970648881 0.077129548731 TCL: atom 1: phi = 0.0310432771734 TCL: Center of mass = 10.5556711526 -0.652261307082 0.0773986715502 TCL: atom 1: phi = 0.0312986308991 TCL: Center of mass = 10.5572833465 -0.652577250807 0.077684505608 TCL: atom 1: phi = 0.0316497714172 TCL: Center of mass = 10.5588836027 -0.652871956291 0.0779972757791 TCL: atom 1: phi = 0.0318899527089 TCL: Center of mass = 10.5604819266 -0.653198583318 0.0783392839605 TCL: atom 1: phi = 0.0321878972876 TCL: Center of mass = 10.5620796117 -0.653513827697 0.0787217839579 TCL: atom 1: phi = 0.0322460214005 TCL: Center of mass = 10.563683278 -0.653824841104 0.0791238056272 TCL: atom 1: phi = 0.0320851595323 TCL: Center of mass = 10.5652786782 -0.654128163649 0.079544661956 TCL: atom 1: phi = 0.0314980283331 TCL: Center of mass = 10.5668641929 -0.654437668314 0.0799851401015 TCL: atom 1: phi = 0.0306755553814 TCL: Center of mass = 10.5684273449 -0.654730254516 0.0804470028469 TCL: atom 1: phi = 0.0294885086055 TCL: Center of mass = 10.5699984645 -0.655034630136 0.0809286821552 TCL: atom 1: phi = 0.0281934595849 TCL: Center of mass = 10.5715583889 -0.655309291239 0.0814323241082 TCL: atom 1: phi = 0.0267532573705 TCL: Center of mass = 10.5731197943 -0.655584489454 0.0819569718701 TCL: atom 1: phi = 0.0255260669422 TCL: Center of mass = 10.5746611211 -0.655822414001 0.0825156329128 TCL: atom 1: phi = 0.0243354211636 TCL: Center of mass = 10.5762008873 -0.656046139845 0.0830928298249 TCL: atom 1: phi = 0.0234890645286 TCL: Center of mass = 10.577751999 -0.656223991121 0.0836914731876 TCL: atom 1: phi = 0.0227500527694 TCL: Center of mass = 10.5793117958 -0.656391243234 0.0842909700903 TCL: atom 1: phi = 0.022151071211 TCL: Center of mass = 10.5808829641 -0.65649516534 0.0848587527443 TCL: atom 1: phi = 0.0215124844289 TCL: Center of mass = 10.5824642688 -0.656607380352 0.0854331164566 TCL: atom 1: phi = 0.0209899739867 TCL: Center of mass = 10.584019519 -0.656691190938 0.085967015112 TCL: atom 1: phi = 0.0204357979757 TCL: Center of mass = 10.5855728513 -0.656768636451 0.0864676454694 TCL: atom 1: phi = 0.0201265950471 TCL: Center of mass = 10.5870829291 -0.656825748294 0.0869435947414 TCL: atom 1: phi = 0.0199668098419 TCL: Center of mass = 10.588602156 -0.656892990764 0.0874034538328 TCL: atom 1: phi = 0.0201823206851 TCL: Center of mass = 10.5901141244 -0.656939813144 0.0878132627584 TCL: atom 1: phi = 0.0206076684068 TCL: Center of mass = 10.5916461886 -0.656969766224 0.0881880937464 TCL: atom 1: phi = 0.0213897091274 TCL: Center of mass = 10.5931870891 -0.656975579907 0.0885218017664 TCL: atom 1: phi = 0.0222117069696 TCL: Center of mass = 10.5947597133 -0.656988013235 0.0888328076411 TCL: atom 1: phi = 0.0231520022497 TCL: Center of mass = 10.5963173781 -0.656999271548 0.0891153865656 TCL: atom 1: phi = 0.0238395533684 TCL: Center of mass = 10.5978991963 -0.657007464949 0.0894062304261 TCL: atom 1: phi = 0.0243419544153 TCL: Center of mass = 10.5994726171 -0.657006378705 0.0896933881577 TCL: atom 1: phi = 0.024452528069 TCL: Center of mass = 10.6010451414 -0.657020471263 0.0899866662029 TCL: atom 1: phi = 0.0243898331492 TCL: Center of mass = 10.602585446 -0.657031196347 0.0902928492428 TCL: atom 1: phi = 0.0240375312295 TCL: Center of mass = 10.60408489 -0.657047931198 0.0905955951936 TCL: atom 1: phi = 0.0236316798265 TCL: Center of mass = 10.6055534701 -0.657065393998 0.0908818743195 TCL: atom 1: phi = 0.0231487286624 TCL: Center of mass = 10.6070353214 -0.657098965844 0.0911637576384 TCL: atom 1: phi = 0.0227972170912 TCL: Center of mass = 10.6084895032 -0.657129141654 0.0914095681717 TCL: atom 1: phi = 0.0224017318557 TCL: Center of mass = 10.6099319546 -0.657171189402 0.0916557057814 TCL: atom 1: phi = 0.0220506746657 TCL: Center of mass = 10.6113733462 -0.657168110773 0.0918679770563 TCL: atom 1: phi = 0.0215439413236 TCL: Center of mass = 10.6128379594 -0.657163168921 0.0920755882523 TCL: atom 1: phi = 0.0210199903726 TCL: Center of mass = 10.614295249 -0.657145150283 0.0922675464126 TCL: atom 1: phi = 0.0203988972187 TCL: Center of mass = 10.6157550325 -0.657149622201 0.0924759550275 TCL: atom 1: phi = 0.0198182122667 TCL: Center of mass = 10.617232189 -0.657127468903 0.0926907528263 TCL: atom 1: phi = 0.0192734798084 TCL: Center of mass = 10.6187401445 -0.65711994159 0.0928967870435 TCL: atom 1: phi = 0.0189950298883 TCL: Center of mass = 10.6202677084 -0.657078355975 0.0930570475748 TCL: atom 1: phi = 0.0188674033107 TCL: Center of mass = 10.6218057489 -0.657020627038 0.0931901125224 TCL: atom 1: phi = 0.0190896796511 TCL: Center of mass = 10.6233680454 -0.656942995097 0.0932509940064 TCL: atom 1: phi = 0.0194930333917 TCL: Center of mass = 10.6249631919 -0.656861468609 0.0932921742382 TCL: atom 1: phi = 0.0200713640046 TCL: Center of mass = 10.626563255 -0.65674678072 0.093283496235 TCL: atom 1: phi = 0.0205938860482 TCL: Center of mass = 10.6281865217 -0.656635314927 0.0932606379974 TCL: atom 1: phi = 0.0210507188313 TCL: Center of mass = 10.6298026289 -0.656519072704 0.093195317622 TCL: atom 1: phi = 0.0212941780813 TCL: Center of mass = 10.6314192193 -0.656436230852 0.0931373462578 TCL: atom 1: phi = 0.0214317288626 TCL: Center of mass = 10.6330003186 -0.656346529515 0.0930887097487 TCL: atom 1: phi = 0.0213037525887 TCL: Center of mass = 10.6345577503 -0.656272503439 0.0930725484738 TCL: atom 1: phi = 0.021176615542 TCL: Center of mass = 10.6360733413 -0.656212528639 0.0930661299884 TCL: atom 1: phi = 0.020952290454 TCL: Center of mass = 10.6375761967 -0.656148907104 0.0930501257777 TCL: atom 1: phi = 0.0207903773716 TCL: Center of mass = 10.6390415827 -0.656094803126 0.0930070253917 TCL: atom 1: phi = 0.0205689664789 TCL: Center of mass = 10.6404765251 -0.656051218408 0.0929387969832 TCL: atom 1: phi = 0.0204716450557 TCL: Center of mass = 10.6418586734 -0.656010714631 0.0928389967134 TCL: atom 1: phi = 0.0203287295478 TCL: Center of mass = 10.6432041022 -0.655975439659 0.0927353148306 TCL: atom 1: phi = 0.0202502428148 TCL: Center of mass = 10.6445151867 -0.655949265314 0.0926214741936 TCL: atom 1: phi = 0.0200966099253 TCL: Center of mass = 10.6457964161 -0.655960219953 0.092524188361 TCL: atom 1: phi = 0.0200236341989 TCL: Center of mass = 10.6470506794 -0.655978955252 0.0924294762466 TCL: atom 1: phi = 0.0199736700901 TCL: Center of mass = 10.6482797102 -0.656000059894 0.0923603563302 TCL: atom 1: phi = 0.0202339992658 TCL: Center of mass = 10.6495058394 -0.656022831091 0.0922923303036 TCL: atom 1: phi = 0.0206476505444 TCL: Center of mass = 10.6507475664 -0.656057928828 0.0922084256898 TCL: atom 1: phi = 0.0213812439068 TCL: Center of mass = 10.6519992705 -0.656106396576 0.092101771391 TCL: atom 1: phi = 0.0222837836521 TCL: Center of mass = 10.6532857589 -0.656169308137 0.0919998814765 TCL: atom 1: phi = 0.0233580150378 TCL: Center of mass = 10.6546023753 -0.656236153951 0.0918734671684 TCL: atom 1: phi = 0.0244273223991 TCL: Center of mass = 10.6559843609 -0.656323926598 0.0917283296234 TCL: atom 1: phi = 0.0255029159107 TCL: Center of mass = 10.6574026167 -0.656412287416 0.0915351437818 TCL: atom 1: phi = 0.0263616925558 TCL: Center of mass = 10.6588488271 -0.65653811105 0.0913166590913 TCL: atom 1: phi = 0.0270689399086 TCL: Center of mass = 10.6603242545 -0.65668670205 0.0910768805389 TCL: atom 1: phi = 0.0274531346184 TCL: Center of mass = 10.661823046 -0.656849355521 0.0908315763739 TCL: atom 1: phi = 0.0276789004514 TCL: Center of mass = 10.6633074025 -0.657019233295 0.0905882369382 TCL: atom 1: phi = 0.0277103894153 TCL: Center of mass = 10.6647906032 -0.657207681438 0.0903368181615 TCL: atom 1: phi = 0.0277581906949 TCL: Center of mass = 10.6662507227 -0.657396497981 0.0900582905166 TCL: atom 1: phi = 0.0276645127669 TCL: Center of mass = 10.6677246914 -0.657620830373 0.0897648388253 TCL: atom 1: phi = 0.0275390064437 TCL: Center of mass = 10.6691813082 -0.657880936894 0.089459318217 TCL: atom 1: phi = 0.0272430554058 TCL: Center of mass = 10.6706421473 -0.658171503357 0.0891692264913 TCL: atom 1: phi = 0.0269373993774 TCL: Center of mass = 10.6720692705 -0.658479129581 0.0888635724666 TCL: atom 1: phi = 0.0265081691483 TCL: Center of mass = 10.6734814259 -0.658801624884 0.0885450696039 TCL: atom 1: phi = 0.026120679968 TCL: Center of mass = 10.6748531831 -0.659121645824 0.0882272005567 TCL: atom 1: phi = 0.0257559491047 TCL: Center of mass = 10.6761822032 -0.65943834298 0.087902901978 TCL: atom 1: phi = 0.025633952493 TCL: Center of mass = 10.6774626809 -0.659740110521 0.0875832736611 TCL: atom 1: phi = 0.0256830156167 TCL: Center of mass = 10.6787456642 -0.660019514965 0.0872613891676 TCL: atom 1: phi = 0.0260597002993 TCL: Center of mass = 10.6799976466 -0.660280879962 0.0869128552376 TCL: atom 1: phi = 0.0266818888289 WRITING COORDINATES TO DCD FILE AT STEP 8000 WRITING COORDINATES TO RESTART FILE AT STEP 8000 FINISHED WRITING RESTART COORDINATES TIMING: 8000 CPU: 426.393, 0.0534219/step Wall: 511.375, 0.0639244/step, 0.213081 hours remaining, 13608 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 8000 3438.7891 2436.1863 372.4277 31.5763 -44740.9239 4184.9824 0.0000 0.0000 9713.8275 -24563.1346 287.9574 -24417.1924 -24421.2969 287.8021 1395.1023 -1036.8758 125000.0000 -1141.7712 -1136.2877 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8000 WRITING VELOCITIES TO RESTART FILE AT STEP 8000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.6812484113 -0.660523635963 0.0865574986844 TCL: atom 1: phi = 0.0275880686366 TCL: Center of mass = 10.6824954806 -0.660714039577 0.0861940648412 TCL: atom 1: phi = 0.0285743838072 TCL: Center of mass = 10.6837465851 -0.660893953753 0.0858408923835 TCL: atom 1: phi = 0.0296909051812 TCL: Center of mass = 10.6849664181 -0.661069434997 0.0854838408773 TCL: atom 1: phi = 0.0306652157561 TCL: Center of mass = 10.6862095428 -0.661243743748 0.0851288809496 TCL: atom 1: phi = 0.03155080525 TCL: Center of mass = 10.6874259322 -0.661395916706 0.0847649257522 TCL: atom 1: phi = 0.0321343944488 TCL: Center of mass = 10.6886523706 -0.66154617991 0.0844093076702 TCL: atom 1: phi = 0.0325560105478 TCL: Center of mass = 10.6898849055 -0.661671366159 0.0840627476762 TCL: atom 1: phi = 0.0327296665276 TCL: Center of mass = 10.6911243943 -0.661770709881 0.0837134584979 TCL: atom 1: phi = 0.0328693502528 TCL: Center of mass = 10.6923633551 -0.661826596099 0.0833677583885 TCL: atom 1: phi = 0.0327789824487 TCL: Center of mass = 10.6936127268 -0.661865290424 0.083005467751 TCL: atom 1: phi = 0.0326357045139 TCL: Center of mass = 10.6948656314 -0.661887978101 0.0826486709757 TCL: atom 1: phi = 0.0322843672779 TCL: Center of mass = 10.696132561 -0.661943628341 0.0823006578425 TCL: atom 1: phi = 0.0318826158049 TCL: Center of mass = 10.6973930857 -0.662033530189 0.0819517530097 TCL: atom 1: phi = 0.0312159509566 TCL: Center of mass = 10.6986728368 -0.662167524627 0.0815866890793 TCL: atom 1: phi = 0.0305044773295 TCL: Center of mass = 10.6999472218 -0.662351932544 0.0812195843278 TCL: atom 1: phi = 0.0296694697064 TCL: Center of mass = 10.7012259353 -0.662588720783 0.0808313414629 TCL: atom 1: phi = 0.0289288683293 TCL: Center of mass = 10.7024914622 -0.662835578813 0.0804410772637 TCL: atom 1: phi = 0.0282497289074 TCL: Center of mass = 10.7037501611 -0.663110784143 0.0800263268506 TCL: atom 1: phi = 0.0278222952218 TCL: Center of mass = 10.7050054819 -0.66338232586 0.0795912609116 TCL: atom 1: phi = 0.0275863459333 TCL: Center of mass = 10.7062759726 -0.663678994381 0.0791415519258 TCL: atom 1: phi = 0.0276349073541 TCL: Center of mass = 10.7075407094 -0.663976623725 0.0786784770059 TCL: atom 1: phi = 0.0277965675996 TCL: Center of mass = 10.7088172917 -0.664307867859 0.0782244533969 TCL: atom 1: phi = 0.0281514885424 TCL: Center of mass = 10.7100934231 -0.664654833708 0.077787657327 TCL: atom 1: phi = 0.0284307341834 TCL: Center of mass = 10.7113945164 -0.66501979824 0.0773665108631 TCL: atom 1: phi = 0.0287172624848 TCL: Center of mass = 10.7126924816 -0.665366391285 0.0769562107615 TCL: atom 1: phi = 0.0288570975729 TCL: Center of mass = 10.7140069065 -0.665719316036 0.0765515331129 TCL: atom 1: phi = 0.0289724811739 TCL: Center of mass = 10.715301958 -0.666028185496 0.076146422775 TCL: atom 1: phi = 0.0289967005253 TCL: Center of mass = 10.7165760377 -0.666310112154 0.0757195020854 TCL: atom 1: phi = 0.0290286210985 TCL: Center of mass = 10.7178420501 -0.666520135641 0.0753011003529 TCL: atom 1: phi = 0.0289423986436 TCL: Center of mass = 10.7191136422 -0.666709965477 0.0748886898146 TCL: atom 1: phi = 0.0288013868697 TCL: Center of mass = 10.7203608633 -0.666857617022 0.0744937658397 TCL: atom 1: phi = 0.0284459672417 TCL: Center of mass = 10.721618388 -0.667003767815 0.0741072037598 TCL: atom 1: phi = 0.0279800180536 TCL: Center of mass = 10.7228864923 -0.667132332823 0.0737446281159 TCL: atom 1: phi = 0.0271775722128 TCL: Center of mass = 10.724179402 -0.667278095384 0.0733895309898 TCL: atom 1: phi = 0.0262020230346 TCL: Center of mass = 10.7254746029 -0.66745391797 0.0730390831042 TCL: atom 1: phi = 0.0249679063401 TCL: Center of mass = 10.7267731761 -0.667660405033 0.0726890792277 TCL: atom 1: phi = 0.0237360276783 TCL: Center of mass = 10.7280762379 -0.667872707843 0.07232693801 TCL: atom 1: phi = 0.0224422959225 TCL: Center of mass = 10.7294120198 -0.668112490318 0.0719533155724 TCL: atom 1: phi = 0.0214015417976 TCL: Center of mass = 10.7307513205 -0.66836519913 0.0715588810471 TCL: atom 1: phi = 0.0205176558906 TCL: Center of mass = 10.7321012585 -0.668643397374 0.0711574646499 TCL: atom 1: phi = 0.0199546440005 TCL: Center of mass = 10.7334453751 -0.668922827231 0.0707481046755 TCL: atom 1: phi = 0.0195279425026 TCL: Center of mass = 10.7347973593 -0.669221033772 0.0703504450202 TCL: atom 1: phi = 0.0192570804802 TCL: Center of mass = 10.736150454 -0.669511803451 0.0699651904974 TCL: atom 1: phi = 0.0189744814362 TCL: Center of mass = 10.7375310917 -0.669819564968 0.0695741622723 TCL: atom 1: phi = 0.0187506607281 TCL: Center of mass = 10.7389218575 -0.670109152258 0.069189986351 TCL: atom 1: phi = 0.0184231111719 TCL: Center of mass = 10.7403315397 -0.670402070723 0.0688118430899 TCL: atom 1: phi = 0.0181944566893 TCL: Center of mass = 10.7417710586 -0.670676682243 0.068420091844 TCL: atom 1: phi = 0.0178612940145 TCL: Center of mass = 10.7432346407 -0.670927755497 0.0680055567761 TCL: atom 1: phi = 0.0176971214434 TCL: Center of mass = 10.7447050216 -0.671155892079 0.0675902999078 TCL: atom 1: phi = 0.0175620937588 TCL: Center of mass = 10.7462009972 -0.671356030733 0.0671583645897 TCL: atom 1: phi = 0.0175439422587 TCL: Center of mass = 10.747703224 -0.671541716026 0.0667302266466 TCL: atom 1: phi = 0.0174018443531 TCL: Center of mass = 10.7492186159 -0.671690805178 0.0663202932423 TCL: atom 1: phi = 0.0172648851315 TCL: Center of mass = 10.7507073489 -0.67180357629 0.0659151542808 TCL: atom 1: phi = 0.0169185826647 TCL: Center of mass = 10.7522149429 -0.671889586588 0.0655437739139 TCL: atom 1: phi = 0.0164388854411 TCL: Center of mass = 10.7537479836 -0.671924714432 0.0651772747838 TCL: atom 1: phi = 0.0157060526853 TCL: Center of mass = 10.7552802864 -0.671950650324 0.0648245150378 TCL: atom 1: phi = 0.0149983516722 TCL: Center of mass = 10.7568174905 -0.671961921912 0.064475930215 TCL: atom 1: phi = 0.0143056090063 TCL: Center of mass = 10.7583858359 -0.671977755222 0.0641445550098 TCL: atom 1: phi = 0.0138801193338 TCL: Center of mass = 10.7599653203 -0.671968838725 0.0638207406532 TCL: atom 1: phi = 0.0136533869401 TCL: Center of mass = 10.7615615409 -0.671976421276 0.0634943090054 TCL: atom 1: phi = 0.0138367182291 TCL: Center of mass = 10.7631520389 -0.671982081115 0.0631962528164 TCL: atom 1: phi = 0.0142159682796 TCL: Center of mass = 10.7647371322 -0.672005740189 0.0629198121311 TCL: atom 1: phi = 0.014955461091 TCL: Center of mass = 10.7662976938 -0.672025334242 0.0626743879394 TCL: atom 1: phi = 0.0157819674637 TCL: Center of mass = 10.767846971 -0.672058610053 0.0624541230401 TCL: atom 1: phi = 0.0167634491777 TCL: Center of mass = 10.7693705421 -0.672084513982 0.0622603158953 TCL: atom 1: phi = 0.0177018629443 TCL: Center of mass = 10.770894557 -0.672129873965 0.062087095992 TCL: atom 1: phi = 0.0187255206531 TCL: Center of mass = 10.7724058678 -0.672152387171 0.0619261572802 TCL: atom 1: phi = 0.0197051793737 TCL: Center of mass = 10.7739082144 -0.67219199851 0.061778519929 TCL: atom 1: phi = 0.0208427275657 TCL: Center of mass = 10.775411721 -0.672213552669 0.0616280258459 TCL: atom 1: phi = 0.0220536654755 TCL: Center of mass = 10.776921558 -0.672254084846 0.0614808667307 TCL: atom 1: phi = 0.0234241504625 TCL: Center of mass = 10.7784227006 -0.672283845401 0.0613403953756 TCL: atom 1: phi = 0.0247558606583 TCL: Center of mass = 10.779921674 -0.67231892918 0.0611885648747 TCL: atom 1: phi = 0.0260513705759 TCL: Center of mass = 10.781398671 -0.672334877429 0.0610551550278 TCL: atom 1: phi = 0.0270183550746 TCL: Center of mass = 10.7828533171 -0.672333242516 0.0609264479688 TCL: atom 1: phi = 0.0277543759478 TCL: Center of mass = 10.7842795827 -0.67229369112 0.0608151455393 TCL: atom 1: phi = 0.028034536429 TCL: Center of mass = 10.7857067 -0.672245518594 0.0607141488688 TCL: atom 1: phi = 0.0280815804927 TCL: Center of mass = 10.7871410187 -0.672149406086 0.0606113550964 TCL: atom 1: phi = 0.0277214741042 TCL: Center of mass = 10.7885864203 -0.672028818729 0.0605068866768 TCL: atom 1: phi = 0.0273471297917 TCL: Center of mass = 10.7900590991 -0.67188169166 0.0603901326671 TCL: atom 1: phi = 0.0268298703352 TCL: Center of mass = 10.7915722438 -0.671697789279 0.060263982965 TCL: atom 1: phi = 0.0266266095394 TCL: Center of mass = 10.7931150821 -0.67148763517 0.0601476451085 TCL: atom 1: phi = 0.026458641571 TCL: Center of mass = 10.7946901417 -0.671291266352 0.060033906123 TCL: atom 1: phi = 0.0265520883404 TCL: Center of mass = 10.7962346253 -0.671058710762 0.0599305248687 TCL: atom 1: phi = 0.0265410542362 TCL: Center of mass = 10.797759691 -0.670837643985 0.0598400285652 TCL: atom 1: phi = 0.0266611590199 TCL: Center of mass = 10.7992299837 -0.670609133503 0.0597708621166 TCL: atom 1: phi = 0.0265956719887 TCL: Center of mass = 10.8006606722 -0.670373594804 0.0597234344595 TCL: atom 1: phi = 0.0266974147277 TCL: Center of mass = 10.8020574305 -0.670110445054 0.0596966847516 TCL: atom 1: phi = 0.0266700481239 TCL: Center of mass = 10.8034371063 -0.669886279837 0.0596939108529 TCL: atom 1: phi = 0.0268253599571 TCL: Center of mass = 10.8047848066 -0.669669537069 0.0596876262735 TCL: atom 1: phi = 0.0269390397546 TCL: Center of mass = 10.8061492493 -0.669486779352 0.0596658185681 TCL: atom 1: phi = 0.0274001042971 TCL: Center of mass = 10.8074947515 -0.669317077212 0.059613423765 TCL: atom 1: phi = 0.0277993027733 TCL: Center of mass = 10.8088289128 -0.669182219715 0.05954947486 TCL: atom 1: phi = 0.02835376698 TCL: Center of mass = 10.8101190548 -0.669042816963 0.0594869181011 TCL: atom 1: phi = 0.02866766875 TCL: Center of mass = 10.8113743177 -0.668898741596 0.0594174738821 TCL: atom 1: phi = 0.0289416356332 TCL: Center of mass = 10.8125551419 -0.668744286069 0.059358182873 TCL: atom 1: phi = 0.0287948482499 TCL: Center of mass = 10.8136745227 -0.668563823364 0.0593129938272 TCL: atom 1: phi = 0.0285734563484 TCL: Center of mass = 10.8147235793 -0.668352092948 0.059270446916 TCL: atom 1: phi = 0.027995605639 TCL: Center of mass = 10.8157504517 -0.668151410886 0.0592177233933 TCL: atom 1: phi = 0.0274388424852 TCL: Center of mass = 10.8167746337 -0.667941180642 0.0591949895409 TCL: atom 1: phi = 0.0266886405679 WRITING COORDINATES TO DCD FILE AT STEP 8100 WRITING COORDINATES TO RESTART FILE AT STEP 8100 FINISHED WRITING RESTART COORDINATES TIMING: 8100 CPU: 431.737, 0.0534419/step Wall: 517.668, 0.062931/step, 0.208022 hours remaining, 13608 kB of memory in use. ENERGY: 8100 3427.0960 2499.3554 380.3351 38.1623 -44833.9410 4160.8268 0.0000 0.0000 9734.0861 -24594.0793 288.5579 -24448.9498 -24449.4208 289.1662 1376.0550 -1035.9150 125000.0000 -1118.6042 -1113.8340 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8100 WRITING VELOCITIES TO RESTART FILE AT STEP 8100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.8177925401 -0.66774993089 0.0591464579965 TCL: atom 1: phi = 0.0262204375457 TCL: Center of mass = 10.8188204694 -0.667578672079 0.0590547323997 TCL: atom 1: phi = 0.0256643906179 TCL: Center of mass = 10.8198757192 -0.667455936821 0.0589416420607 TCL: atom 1: phi = 0.0253774516494 TCL: Center of mass = 10.8209469756 -0.667339899114 0.0588111598663 TCL: atom 1: phi = 0.0249920504774 TCL: Center of mass = 10.8220393058 -0.667267174852 0.058687808039 TCL: atom 1: phi = 0.0247128214163 TCL: Center of mass = 10.8231637157 -0.667227920478 0.0585685989894 TCL: atom 1: phi = 0.0242285740292 TCL: Center of mass = 10.8243021927 -0.667236285114 0.0584461120581 TCL: atom 1: phi = 0.0237755099725 TCL: Center of mass = 10.8254312058 -0.667259746266 0.0583221549778 TCL: atom 1: phi = 0.0231202034085 TCL: Center of mass = 10.8265631287 -0.667318814944 0.0582406279942 TCL: atom 1: phi = 0.0226113106871 TCL: Center of mass = 10.8276983312 -0.667381621149 0.0581940828277 TCL: atom 1: phi = 0.022027525179 TCL: Center of mass = 10.8288483546 -0.667468492671 0.0581675975389 TCL: atom 1: phi = 0.0216484624982 TCL: Center of mass = 10.8300243646 -0.667581628831 0.0581657668736 TCL: atom 1: phi = 0.0212317212206 TCL: Center of mass = 10.831217316 -0.667732162373 0.058187115814 TCL: atom 1: phi = 0.0210051585629 TCL: Center of mass = 10.8324335685 -0.667913632227 0.0582211606409 TCL: atom 1: phi = 0.0206556349223 TCL: Center of mass = 10.8336718539 -0.668125368873 0.0582828055843 TCL: atom 1: phi = 0.0203438809401 TCL: Center of mass = 10.8348892565 -0.668354585967 0.058354425596 TCL: atom 1: phi = 0.0197500301912 TCL: Center of mass = 10.8361155658 -0.66858636227 0.0584172762784 TCL: atom 1: phi = 0.0190408430632 TCL: Center of mass = 10.8373352447 -0.6687828446 0.0584894872124 TCL: atom 1: phi = 0.018007580424 TCL: Center of mass = 10.8385456774 -0.668985424544 0.0585998935732 TCL: atom 1: phi = 0.0169240646682 TCL: Center of mass = 10.8397514877 -0.669149937687 0.0587302675065 TCL: atom 1: phi = 0.0157120990322 TCL: Center of mass = 10.8409636449 -0.669310093295 0.0588892725865 TCL: atom 1: phi = 0.014673938865 TCL: Center of mass = 10.8421559172 -0.669461138697 0.0590766199229 TCL: atom 1: phi = 0.013680318765 TCL: Center of mass = 10.8433737933 -0.669612474274 0.0592788392933 TCL: atom 1: phi = 0.0129578246992 TCL: Center of mass = 10.8446057375 -0.669755453918 0.0594999433262 TCL: atom 1: phi = 0.01239265286 TCL: Center of mass = 10.8458473632 -0.669903689671 0.0597095340243 TCL: atom 1: phi = 0.0120956100922 TCL: Center of mass = 10.8471097662 -0.670029351463 0.0599074911733 TCL: atom 1: phi = 0.0118693717963 TCL: Center of mass = 10.8483843238 -0.670171340566 0.0600840432367 TCL: atom 1: phi = 0.0118575871041 TCL: Center of mass = 10.8496626095 -0.670308178719 0.0602557932918 TCL: atom 1: phi = 0.0118714933609 TCL: Center of mass = 10.8509575759 -0.670449613556 0.0603968296273 TCL: atom 1: phi = 0.0121416935967 TCL: Center of mass = 10.8522737258 -0.670561665934 0.0605361237198 TCL: atom 1: phi = 0.0125820741703 TCL: Center of mass = 10.8535935777 -0.670673318093 0.0606812869625 TCL: atom 1: phi = 0.0133167613737 TCL: Center of mass = 10.8548914095 -0.670770830496 0.0608313751499 TCL: atom 1: phi = 0.0142572501672 TCL: Center of mass = 10.8561885441 -0.670877716062 0.0610245715924 TCL: atom 1: phi = 0.0154330222086 TCL: Center of mass = 10.8574839592 -0.670990312635 0.0612338506125 TCL: atom 1: phi = 0.0166014452075 TCL: Center of mass = 10.8587987329 -0.671103510698 0.0614636108609 TCL: atom 1: phi = 0.0177793106811 TCL: Center of mass = 10.8601186401 -0.671225277625 0.061693876373 TCL: atom 1: phi = 0.0187293024038 TCL: Center of mass = 10.8614421186 -0.671348968871 0.0619264316776 TCL: atom 1: phi = 0.0195420347988 TCL: Center of mass = 10.862760406 -0.671475438446 0.0621513386608 TCL: atom 1: phi = 0.0200603021245 TCL: Center of mass = 10.864065469 -0.671601631936 0.0623915760613 TCL: atom 1: phi = 0.0204531120342 TCL: Center of mass = 10.8653588283 -0.671714862093 0.0626332801653 TCL: atom 1: phi = 0.02058771182 TCL: Center of mass = 10.866652642 -0.671857725452 0.0629037076615 TCL: atom 1: phi = 0.0206478897654 TCL: Center of mass = 10.8679131642 -0.671985590384 0.0632014155855 TCL: atom 1: phi = 0.0205651132106 TCL: Center of mass = 10.8691557803 -0.672101723708 0.0635343374358 TCL: atom 1: phi = 0.0204589090711 TCL: Center of mass = 10.8703355729 -0.6722209456 0.063906602494 TCL: atom 1: phi = 0.0202584789006 TCL: Center of mass = 10.8715118077 -0.672344518582 0.0642963957329 TCL: atom 1: phi = 0.0201332941733 TCL: Center of mass = 10.8726500133 -0.67247882032 0.0646962993952 TCL: atom 1: phi = 0.0199551532796 TCL: Center of mass = 10.8737744371 -0.672639375813 0.0650729350247 TCL: atom 1: phi = 0.0199569519873 TCL: Center of mass = 10.8748839385 -0.672825049196 0.0654336003008 TCL: atom 1: phi = 0.0199626343709 TCL: Center of mass = 10.8759831977 -0.6730197679 0.0657593461647 TCL: atom 1: phi = 0.0201127386603 TCL: Center of mass = 10.8770804394 -0.673231540751 0.066060032123 TCL: atom 1: phi = 0.0203019969796 TCL: Center of mass = 10.8781745 -0.67348062184 0.0663323844561 TCL: atom 1: phi = 0.0207161402108 TCL: Center of mass = 10.8792667053 -0.673744863478 0.0665936143803 TCL: atom 1: phi = 0.0211733694087 TCL: Center of mass = 10.8803511263 -0.674034871309 0.0668351162543 TCL: atom 1: phi = 0.0219786121717 TCL: Center of mass = 10.8814113245 -0.674351705599 0.067067279227 TCL: atom 1: phi = 0.0228822322059 TCL: Center of mass = 10.8824568188 -0.674698427763 0.0672859628785 TCL: atom 1: phi = 0.0240168512665 TCL: Center of mass = 10.8834873001 -0.675037528998 0.0674847658116 TCL: atom 1: phi = 0.0250770001244 TCL: Center of mass = 10.8845279345 -0.675386484062 0.0676645037248 TCL: atom 1: phi = 0.0262270742088 TCL: Center of mass = 10.8855959057 -0.675735484794 0.0678076255839 TCL: atom 1: phi = 0.0272054263168 TCL: Center of mass = 10.8867013821 -0.676111911068 0.0679220838987 TCL: atom 1: phi = 0.0281166964878 TCL: Center of mass = 10.8878507427 -0.676468333759 0.0679914913758 TCL: atom 1: phi = 0.0287437824241 TCL: Center of mass = 10.8890381021 -0.676814263053 0.0680372731241 TCL: atom 1: phi = 0.0293375756269 TCL: Center of mass = 10.8902665631 -0.677149889527 0.0680627870896 TCL: atom 1: phi = 0.0296186555658 TCL: Center of mass = 10.8915182664 -0.677496149012 0.0680754841866 TCL: atom 1: phi = 0.0298591158923 TCL: Center of mass = 10.8927638243 -0.677812248197 0.0680882517558 TCL: atom 1: phi = 0.0298841118283 TCL: Center of mass = 10.8940085989 -0.678120993755 0.0681030491985 TCL: atom 1: phi = 0.0299580892112 TCL: Center of mass = 10.8952330637 -0.678410641528 0.0681091133113 TCL: atom 1: phi = 0.0299216727834 TCL: Center of mass = 10.8964631743 -0.67869030436 0.0681288279136 TCL: atom 1: phi = 0.0300598352064 TCL: Center of mass = 10.8976983523 -0.678940711623 0.0681272330356 TCL: atom 1: phi = 0.0301082754348 TCL: Center of mass = 10.8989645322 -0.679184695559 0.0681236708229 TCL: atom 1: phi = 0.0303524086516 TCL: Center of mass = 10.9002525012 -0.679425648165 0.0681205037071 TCL: atom 1: phi = 0.0305801296921 TCL: Center of mass = 10.9015877307 -0.679684445069 0.0681370842034 TCL: atom 1: phi = 0.0310142760958 TCL: Center of mass = 10.9029265176 -0.679963208772 0.0681628184002 TCL: atom 1: phi = 0.0314829487038 TCL: Center of mass = 10.9042626052 -0.680267077311 0.0681841862297 TCL: atom 1: phi = 0.0322860814714 TCL: Center of mass = 10.9055681984 -0.680582495859 0.0682233259885 TCL: atom 1: phi = 0.0331138459031 TCL: Center of mass = 10.9068386992 -0.680923361964 0.0682658585899 TCL: atom 1: phi = 0.0342316221966 TCL: Center of mass = 10.9080937415 -0.681264098712 0.0683166979162 TCL: atom 1: phi = 0.0353706095441 TCL: Center of mass = 10.9093328732 -0.6816270493 0.0683936837218 TCL: atom 1: phi = 0.0367832359518 TCL: Center of mass = 10.9105719059 -0.681983965 0.0685049460065 TCL: atom 1: phi = 0.0380758441336 TCL: Center of mass = 10.9118172299 -0.682345560876 0.0686480039681 TCL: atom 1: phi = 0.0393959336938 TCL: Center of mass = 10.913102401 -0.682706767213 0.06880503024 TCL: atom 1: phi = 0.0404233692216 TCL: Center of mass = 10.9144385021 -0.683075894866 0.0689643829494 TCL: atom 1: phi = 0.041408638983 TCL: Center of mass = 10.9158034543 -0.683424254199 0.0691279701095 TCL: atom 1: phi = 0.0420511265543 TCL: Center of mass = 10.9171911646 -0.683795407526 0.0692706835292 TCL: atom 1: phi = 0.0426205350189 TCL: Center of mass = 10.9185792501 -0.684160768419 0.0693936193533 TCL: atom 1: phi = 0.0429471580006 TCL: Center of mass = 10.9199476067 -0.684536423542 0.0694844885839 TCL: atom 1: phi = 0.0432631280991 TCL: Center of mass = 10.9212929384 -0.684874237533 0.0695520017623 TCL: atom 1: phi = 0.0433876401158 TCL: Center of mass = 10.9226295366 -0.685205376527 0.0695946959563 TCL: atom 1: phi = 0.0436306774397 TCL: Center of mass = 10.9239707385 -0.685506106613 0.0696225057264 TCL: atom 1: phi = 0.0437633529435 TCL: Center of mass = 10.9253151768 -0.6858011701 0.0696603521878 TCL: atom 1: phi = 0.0439600157163 TCL: Center of mass = 10.9266869821 -0.686089723587 0.0696919959228 TCL: atom 1: phi = 0.0441091928109 TCL: Center of mass = 10.9280931352 -0.686403593732 0.0697382300246 TCL: atom 1: phi = 0.0443068945975 TCL: Center of mass = 10.9295407503 -0.686727468194 0.0697810921385 TCL: atom 1: phi = 0.0444314771357 TCL: Center of mass = 10.9310199507 -0.687088273998 0.0698137172846 TCL: atom 1: phi = 0.0446704237781 TCL: Center of mass = 10.9325148807 -0.687481302919 0.0698220040574 TCL: atom 1: phi = 0.0449041928963 TCL: Center of mass = 10.9339969519 -0.68790760777 0.0698030051566 TCL: atom 1: phi = 0.0452730505512 TCL: Center of mass = 10.9354595095 -0.688354550307 0.0697588016141 TCL: atom 1: phi = 0.0456019197687 TCL: Center of mass = 10.9369140169 -0.688835072901 0.0696721156316 TCL: atom 1: phi = 0.0461208685112 TCL: Center of mass = 10.9383257393 -0.689337595634 0.069570742196 TCL: atom 1: phi = 0.0466299868281 TCL: Center of mass = 10.9397200216 -0.68987105266 0.0694648426601 TCL: atom 1: phi = 0.0472862629134 TCL: Center of mass = 10.9410917236 -0.690425167676 0.069399546187 TCL: atom 1: phi = 0.0478968817361 WRITING COORDINATES TO DCD FILE AT STEP 8200 WRITING COORDINATES TO RESTART FILE AT STEP 8200 FINISHED WRITING RESTART COORDINATES TIMING: 8200 CPU: 437.088, 0.0535019/step Wall: 523.954, 0.0628615/step, 0.206046 hours remaining, 13608 kB of memory in use. ENERGY: 8200 3488.9114 2532.5726 382.6717 36.3208 -44686.6201 3966.0338 0.0000 0.0000 9698.7240 -24581.3859 287.5096 -24434.7864 -24440.4516 289.3132 807.9737 -1387.5648 125000.0000 -1256.3698 -1256.1397 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8200 WRITING VELOCITIES TO RESTART FILE AT STEP 8200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.9425013389 -0.691021273996 0.0693540703028 TCL: atom 1: phi = 0.0484496951067 TCL: Center of mass = 10.9439374414 -0.69164771884 0.069345677518 TCL: atom 1: phi = 0.0487542861258 TCL: Center of mass = 10.9453914631 -0.692309597431 0.0693415838999 TCL: atom 1: phi = 0.0489505526701 TCL: Center of mass = 10.9468606673 -0.692993522077 0.0693371184553 TCL: atom 1: phi = 0.0488789018907 TCL: Center of mass = 10.9483515421 -0.693667519186 0.0693193403902 TCL: atom 1: phi = 0.0486604263225 TCL: Center of mass = 10.9498441115 -0.694314073728 0.069253743008 TCL: atom 1: phi = 0.048234015772 TCL: Center of mass = 10.9513332932 -0.694961464306 0.0691651119843 TCL: atom 1: phi = 0.0478421538032 TCL: Center of mass = 10.9528139815 -0.695555219412 0.0690591200881 TCL: atom 1: phi = 0.0475053804611 TCL: Center of mass = 10.9542991015 -0.696109929876 0.0689649127948 TCL: atom 1: phi = 0.0473876984198 TCL: Center of mass = 10.9557791887 -0.696592828687 0.0689053885439 TCL: atom 1: phi = 0.04739262276 TCL: Center of mass = 10.9572516196 -0.697057887547 0.0688936372958 TCL: atom 1: phi = 0.0476264081677 TCL: Center of mass = 10.9587137644 -0.69749285091 0.0689330024115 TCL: atom 1: phi = 0.047943777461 TCL: Center of mass = 10.96016773 -0.697932367767 0.0690035039097 TCL: atom 1: phi = 0.0484342437608 TCL: Center of mass = 10.9616017826 -0.698360814318 0.0690877076278 TCL: atom 1: phi = 0.0489481795819 TCL: Center of mass = 10.9630272846 -0.69879214145 0.0691528022082 TCL: atom 1: phi = 0.0496538732727 TCL: Center of mass = 10.9644456482 -0.699204498595 0.069205194159 TCL: atom 1: phi = 0.0504999485091 TCL: Center of mass = 10.9658733014 -0.699612005863 0.0692143271284 TCL: atom 1: phi = 0.0516536536396 TCL: Center of mass = 10.9673006416 -0.700014727231 0.069206855011 TCL: atom 1: phi = 0.053014852173 TCL: Center of mass = 10.9687255351 -0.700456582243 0.0691858885852 TCL: atom 1: phi = 0.0546267482622 TCL: Center of mass = 10.9701264707 -0.700900166276 0.0691967069556 TCL: atom 1: phi = 0.0563756696502 TCL: Center of mass = 10.9715196417 -0.701373818129 0.0692571764166 TCL: atom 1: phi = 0.0582355293696 TCL: Center of mass = 10.9729097479 -0.701865791297 0.0693810184368 TCL: atom 1: phi = 0.0600052369657 TCL: Center of mass = 10.9742766077 -0.702420610256 0.0695541766192 TCL: atom 1: phi = 0.0616532446207 TCL: Center of mass = 10.9756156229 -0.703011354427 0.069781124719 TCL: atom 1: phi = 0.0629927536863 TCL: Center of mass = 10.9769745506 -0.703656993278 0.0700319392984 TCL: atom 1: phi = 0.0640689036686 TCL: Center of mass = 10.9783375193 -0.704307973245 0.0702774515353 TCL: atom 1: phi = 0.064854207309 TCL: Center of mass = 10.9797048076 -0.704974809831 0.0704903597608 TCL: atom 1: phi = 0.0654450356293 TCL: Center of mass = 10.9810650691 -0.70564500685 0.0706852791692 TCL: atom 1: phi = 0.0658212703116 TCL: Center of mass = 10.9824539356 -0.706325704971 0.0708510799581 TCL: atom 1: phi = 0.0661756359267 TCL: Center of mass = 10.9838438215 -0.706986328243 0.0710122000836 TCL: atom 1: phi = 0.0664904581905 TCL: Center of mass = 10.9852449658 -0.70768130242 0.0711937657104 TCL: atom 1: phi = 0.0669626916575 TCL: Center of mass = 10.9866312287 -0.708372022016 0.071391525383 TCL: atom 1: phi = 0.0673154042843 TCL: Center of mass = 10.9880304281 -0.709090577047 0.0716075248483 TCL: atom 1: phi = 0.0676732217004 TCL: Center of mass = 10.9894082059 -0.709774570468 0.0718226671286 TCL: atom 1: phi = 0.0679147412601 TCL: Center of mass = 10.9907966783 -0.710469088987 0.0720590972148 TCL: atom 1: phi = 0.0681562598065 TCL: Center of mass = 10.9921864778 -0.711150438313 0.0722875350005 TCL: atom 1: phi = 0.0682387536208 TCL: Center of mass = 10.9936310029 -0.711829905731 0.072490804587 TCL: atom 1: phi = 0.0684286858159 TCL: Center of mass = 10.9950962196 -0.712474542898 0.072661393995 TCL: atom 1: phi = 0.0686544854751 TCL: Center of mass = 10.9966009232 -0.713123471903 0.0728366658305 TCL: atom 1: phi = 0.0690538698201 TCL: Center of mass = 10.9981208048 -0.71376534421 0.0729987751101 TCL: atom 1: phi = 0.069516802918 TCL: Center of mass = 10.9996580004 -0.714423011692 0.0731736262262 TCL: atom 1: phi = 0.0700728407153 TCL: Center of mass = 11.0011623657 -0.715092805032 0.0733482421169 TCL: atom 1: phi = 0.070488439194 TCL: Center of mass = 11.0026256257 -0.715798107736 0.0735549556087 TCL: atom 1: phi = 0.0708115472516 TCL: Center of mass = 11.0040340514 -0.716524425895 0.0737854557456 TCL: atom 1: phi = 0.0708609684464 TCL: Center of mass = 11.005384077 -0.717275444217 0.0740465987545 TCL: atom 1: phi = 0.0707486934367 TCL: Center of mass = 11.0067110828 -0.718029228298 0.0743213736226 TCL: atom 1: phi = 0.0703444327891 TCL: Center of mass = 11.0079988249 -0.718772632594 0.0746235014246 TCL: atom 1: phi = 0.0698707953056 TCL: Center of mass = 11.0092711706 -0.719500912131 0.0749123272257 TCL: atom 1: phi = 0.0692073543378 TCL: Center of mass = 11.0105370691 -0.720245280677 0.0752124595709 TCL: atom 1: phi = 0.0685715582614 TCL: Center of mass = 11.0118055095 -0.720992417329 0.0754882867929 TCL: atom 1: phi = 0.067846933639 TCL: Center of mass = 11.0130723953 -0.721757284958 0.0757776002183 TCL: atom 1: phi = 0.0672697778033 TCL: Center of mass = 11.0143133786 -0.722531144927 0.0760432775318 TCL: atom 1: phi = 0.0666746367448 TCL: Center of mass = 11.0155227824 -0.72331365178 0.0763022355747 TCL: atom 1: phi = 0.0662608018128 TCL: Center of mass = 11.0166765979 -0.724069271218 0.0765531982291 TCL: atom 1: phi = 0.065857273848 TCL: Center of mass = 11.0177906418 -0.724814679706 0.07683525331 TCL: atom 1: phi = 0.0656104614533 TCL: Center of mass = 11.0188904489 -0.725533836835 0.0771072836199 TCL: atom 1: phi = 0.0654968311348 TCL: Center of mass = 11.0200092329 -0.726222934135 0.0773894317334 TCL: atom 1: phi = 0.0656680537039 TCL: Center of mass = 11.0211571069 -0.726880152236 0.0776592085151 TCL: atom 1: phi = 0.0659966331428 TCL: Center of mass = 11.0223850231 -0.727507756918 0.0779325336704 TCL: atom 1: phi = 0.0667022269635 TCL: Center of mass = 11.0236616856 -0.728108706046 0.0781914105109 TCL: atom 1: phi = 0.0676332876609 TCL: Center of mass = 11.0250016539 -0.72871451134 0.0784547148983 TCL: atom 1: phi = 0.068893530665 TCL: Center of mass = 11.0263732105 -0.729282828233 0.0786771549664 TCL: atom 1: phi = 0.0702320080717 TCL: Center of mass = 11.0277692247 -0.729834747511 0.0788648125896 TCL: atom 1: phi = 0.0717082718524 TCL: Center of mass = 11.0291482484 -0.730362556711 0.0790070134066 TCL: atom 1: phi = 0.0730174816211 TCL: Center of mass = 11.0305064582 -0.730878545872 0.0791149242465 TCL: atom 1: phi = 0.0742196086269 TCL: Center of mass = 11.0318597578 -0.731347457409 0.0791620399909 TCL: atom 1: phi = 0.0751263468627 TCL: Center of mass = 11.0332248849 -0.73180512052 0.0791903726326 TCL: atom 1: phi = 0.0758367022453 TCL: Center of mass = 11.0345931038 -0.73222998746 0.0792123204544 TCL: atom 1: phi = 0.0761595089084 TCL: Center of mass = 11.0360130884 -0.732682266522 0.0792324929599 TCL: atom 1: phi = 0.0763290061397 TCL: Center of mass = 11.0374420498 -0.733121866746 0.0792328322539 TCL: atom 1: phi = 0.0762009319552 TCL: Center of mass = 11.0389024627 -0.733581983375 0.0792251033719 TCL: atom 1: phi = 0.0759152680578 TCL: Center of mass = 11.0403597081 -0.734072159955 0.0791728360033 TCL: atom 1: phi = 0.0752843914641 TCL: Center of mass = 11.0418121715 -0.734609076591 0.0791153843186 TCL: atom 1: phi = 0.0744239268675 TCL: Center of mass = 11.0432309113 -0.735148929461 0.0790183814879 TCL: atom 1: phi = 0.0732164239132 TCL: Center of mass = 11.04461531 -0.735714847293 0.0789025803511 TCL: atom 1: phi = 0.0718575722521 TCL: Center of mass = 11.0459504263 -0.736283477742 0.0787509087519 TCL: atom 1: phi = 0.0702734500413 TCL: Center of mass = 11.0472610189 -0.736873177159 0.0785928241788 TCL: atom 1: phi = 0.0686820537536 TCL: Center of mass = 11.0485508684 -0.737455563564 0.0784432787236 TCL: atom 1: phi = 0.0670213499018 TCL: Center of mass = 11.0498344355 -0.73805093015 0.0783248505703 TCL: atom 1: phi = 0.0655506007637 TCL: Center of mass = 11.0511072554 -0.738649030471 0.0782404937316 TCL: atom 1: phi = 0.0641076357308 TCL: Center of mass = 11.0523811926 -0.739275914093 0.0782181475545 TCL: atom 1: phi = 0.0629077926054 TCL: Center of mass = 11.0536706801 -0.739913020755 0.0782287850051 TCL: atom 1: phi = 0.0618152525549 TCL: Center of mass = 11.0549752979 -0.740563756215 0.0782630720792 TCL: atom 1: phi = 0.0608171552864 TCL: Center of mass = 11.0563012319 -0.741199346878 0.0782869993239 TCL: atom 1: phi = 0.059679619511 TCL: Center of mass = 11.0576374956 -0.741835788401 0.0782921503612 TCL: atom 1: phi = 0.0585414713665 TCL: Center of mass = 11.0589716298 -0.742441108937 0.0782773639689 TCL: atom 1: phi = 0.0571858567037 TCL: Center of mass = 11.0603013342 -0.743039250701 0.0782456628562 TCL: atom 1: phi = 0.0558040872297 TCL: Center of mass = 11.0616214406 -0.743591773933 0.0782188139757 TCL: atom 1: phi = 0.0542578886366 TCL: Center of mass = 11.0629458176 -0.744131873528 0.0782014158354 TCL: atom 1: phi = 0.0527444022151 TCL: Center of mass = 11.0643111855 -0.744653650115 0.0781909269804 TCL: atom 1: phi = 0.0511761690493 TCL: Center of mass = 11.0656974935 -0.745202702446 0.0781942000545 TCL: atom 1: phi = 0.0496770722296 TCL: Center of mass = 11.0671318494 -0.745759331716 0.0781989953263 TCL: atom 1: phi = 0.0481433117914 TCL: Center of mass = 11.0685890056 -0.746324722541 0.0782013087204 TCL: atom 1: phi = 0.0466656860668 TCL: Center of mass = 11.0700434295 -0.746872941753 0.0781642887676 TCL: atom 1: phi = 0.0450908315351 TCL: Center of mass = 11.071513706 -0.74740974099 0.0780880841849 TCL: atom 1: phi = 0.0435219285455 TCL: Center of mass = 11.0729873809 -0.747924059454 0.0779704615829 TCL: atom 1: phi = 0.0419223428278 TCL: Center of mass = 11.0744852658 -0.748445599619 0.0778222463219 TCL: atom 1: phi = 0.0404655676099 TCL: Center of mass = 11.0759538038 -0.748968970084 0.0776262942165 TCL: atom 1: phi = 0.0391720782733 TCL: Center of mass = 11.0774110106 -0.749494826064 0.0774155058853 TCL: atom 1: phi = 0.0381918221914 TCL: Center of mass = 11.0788608585 -0.7500278828 0.0771888477856 TCL: atom 1: phi = 0.0375359312565 WRITING COORDINATES TO DCD FILE AT STEP 8300 WRITING COORDINATES TO RESTART FILE AT STEP 8300 FINISHED WRITING RESTART COORDINATES TIMING: 8300 CPU: 442.44, 0.0535219/step Wall: 530.497, 0.0654298/step, 0.212647 hours remaining, 13608 kB of memory in use. ENERGY: 8300 3465.4652 2398.6431 372.6441 51.7422 -44716.9118 4130.8949 0.0000 0.0000 9739.2486 -24558.2737 288.7110 -24413.9907 -24411.7232 288.6806 522.5841 -1158.6363 125000.0000 -1225.0171 -1224.1925 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8300 WRITING VELOCITIES TO RESTART FILE AT STEP 8300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 11.0803009474 -0.750581751732 0.0769957180494 TCL: atom 1: phi = 0.0372523491352 TCL: Center of mass = 11.0817555979 -0.751149811694 0.0768209795862 TCL: atom 1: phi = 0.0371703631245 TCL: Center of mass = 11.08322277 -0.751735395982 0.0766741915527 TCL: atom 1: phi = 0.0373140734801 TCL: Center of mass = 11.0846841743 -0.752329862488 0.0765376276487 TCL: atom 1: phi = 0.0374619976536 TCL: Center of mass = 11.0861506799 -0.752937856649 0.0764007480018 TCL: atom 1: phi = 0.037643717698 TCL: Center of mass = 11.0876173002 -0.753530653041 0.0762404330414 TCL: atom 1: phi = 0.0377507453446 TCL: Center of mass = 11.0891068631 -0.754124811119 0.0760654686935 TCL: atom 1: phi = 0.0378253906357 TCL: Center of mass = 11.0906001578 -0.754704120067 0.0758758216712 TCL: atom 1: phi = 0.0377912527921 TCL: Center of mass = 11.0921166504 -0.755274131597 0.0756976443405 TCL: atom 1: phi = 0.0377755646549 TCL: Center of mass = 11.0936398772 -0.755863423178 0.0755595335275 TCL: atom 1: phi = 0.0376911538968 TCL: Center of mass = 11.0951501166 -0.756472943308 0.0754430452378 TCL: atom 1: phi = 0.0375645023617 TCL: Center of mass = 11.0966400188 -0.757084165342 0.0753552776497 TCL: atom 1: phi = 0.037299659178 TCL: Center of mass = 11.0981443391 -0.757717070325 0.0752865061538 TCL: atom 1: phi = 0.0368745544421 TCL: Center of mass = 11.0996434189 -0.758336439455 0.0752257641467 TCL: atom 1: phi = 0.0362076985362 TCL: Center of mass = 11.1011937217 -0.758992065944 0.0751650155409 TCL: atom 1: phi = 0.0353680936044 TCL: Center of mass = 11.1027637944 -0.759601476534 0.0750792966979 TCL: atom 1: phi = 0.0342728648837 TCL: Center of mass = 11.1043776613 -0.760216794982 0.0749700107278 TCL: atom 1: phi = 0.0331323099479 TCL: Center of mass = 11.1060311831 -0.760798744466 0.0748202665202 TCL: atom 1: phi = 0.0319629707277 TCL: Center of mass = 11.1077170667 -0.761380689193 0.0746585681574 TCL: atom 1: phi = 0.0309795699455 TCL: Center of mass = 11.1094178999 -0.761938061563 0.0744840370979 TCL: atom 1: phi = 0.0301237607282 TCL: Center of mass = 11.1111148604 -0.76250031859 0.0743071597181 TCL: atom 1: phi = 0.0295862527489 TCL: Center of mass = 11.1127842118 -0.763061647236 0.0741454561934 TCL: atom 1: phi = 0.02919713752 TCL: Center of mass = 11.1144408538 -0.763630519278 0.0739962073546 TCL: atom 1: phi = 0.0290137948452 TCL: Center of mass = 11.1160566506 -0.764205062657 0.0738658399727 TCL: atom 1: phi = 0.0288126125443 TCL: Center of mass = 11.1176758721 -0.764783935402 0.0737700349083 TCL: atom 1: phi = 0.0286584534067 TCL: Center of mass = 11.1193048484 -0.765340040931 0.0736840948606 TCL: atom 1: phi = 0.0284245211257 TCL: Center of mass = 11.1209639867 -0.765872918096 0.0736094071346 TCL: atom 1: phi = 0.0283092171156 TCL: Center of mass = 11.1226432767 -0.766358427884 0.0735557574822 TCL: atom 1: phi = 0.0281848882441 TCL: Center of mass = 11.1243517681 -0.766809728623 0.0735314740369 TCL: atom 1: phi = 0.0282744771166 TCL: Center of mass = 11.1260779941 -0.767207187733 0.0735166730299 TCL: atom 1: phi = 0.0284350178246 TCL: Center of mass = 11.1278158944 -0.767591954641 0.0735207195828 TCL: atom 1: phi = 0.0288611069135 TCL: Center of mass = 11.1295412714 -0.767963353304 0.0735563246441 TCL: atom 1: phi = 0.0293338005653 TCL: Center of mass = 11.1312268794 -0.768326616714 0.0736347460873 TCL: atom 1: phi = 0.0299552992562 TCL: Center of mass = 11.1328665121 -0.768676054739 0.0737263637232 TCL: atom 1: phi = 0.0305034632676 TCL: Center of mass = 11.1344861068 -0.769036360385 0.0738385924861 TCL: atom 1: phi = 0.0310419949774 TCL: Center of mass = 11.1360894962 -0.769387712333 0.0739496130452 TCL: atom 1: phi = 0.0314903991823 TCL: Center of mass = 11.1377054474 -0.769740992506 0.074078353572 TCL: atom 1: phi = 0.0320664697324 TCL: Center of mass = 11.1393441352 -0.770076446444 0.0742238838004 TCL: atom 1: phi = 0.0327218229678 TCL: Center of mass = 11.141026598 -0.770424732439 0.0743736290482 TCL: atom 1: phi = 0.0337205748603 TCL: Center of mass = 11.142731506 -0.770767763565 0.0745500576741 TCL: atom 1: phi = 0.034977371927 TCL: Center of mass = 11.1444309661 -0.771111804535 0.0747584034092 TCL: atom 1: phi = 0.0366480724083 TCL: Center of mass = 11.1461212788 -0.77143505732 0.0749496706308 TCL: atom 1: phi = 0.0386575843268 TCL: Center of mass = 11.1477817773 -0.771775681319 0.0751428147939 TCL: atom 1: phi = 0.0410587898004 TCL: Center of mass = 11.1494127399 -0.772103084771 0.0753457093608 TCL: atom 1: phi = 0.0435082356344 TCL: Center of mass = 11.1509937562 -0.772451424903 0.0755605704629 TCL: atom 1: phi = 0.046049575478 TCL: Center of mass = 11.1525435569 -0.772782440042 0.0757693733416 TCL: atom 1: phi = 0.0483259634806 TCL: Center of mass = 11.1540836929 -0.773141568115 0.0759867445078 TCL: atom 1: phi = 0.0505433580143 TCL: Center of mass = 11.1556328469 -0.773488095689 0.0762188726714 TCL: atom 1: phi = 0.0524917016484 TCL: Center of mass = 11.1572122391 -0.773836478465 0.0764796464645 TCL: atom 1: phi = 0.0544588195511 TCL: Center of mass = 11.1588026496 -0.77416246408 0.0767396120763 TCL: atom 1: phi = 0.0562210995189 TCL: Center of mass = 11.1604313741 -0.774514773637 0.0770176811162 TCL: atom 1: phi = 0.0579601359928 TCL: Center of mass = 11.1620602932 -0.774859196245 0.0772945822806 TCL: atom 1: phi = 0.0594224640479 TCL: Center of mass = 11.1636930617 -0.775200764186 0.0775835110618 TCL: atom 1: phi = 0.0608826611588 TCL: Center of mass = 11.1652995006 -0.775496871629 0.0778715992576 TCL: atom 1: phi = 0.0619338412434 TCL: Center of mass = 11.1668836865 -0.775791869341 0.0781699517485 TCL: atom 1: phi = 0.0627468300473 TCL: Center of mass = 11.1684316904 -0.776082853384 0.0784596470562 TCL: atom 1: phi = 0.0629295563702 TCL: Center of mass = 11.1699816485 -0.776373958307 0.0787438739093 TCL: atom 1: phi = 0.0628224616825 TCL: Center of mass = 11.1715339107 -0.776665088329 0.0790168058453 TCL: atom 1: phi = 0.0622226675269 TCL: Center of mass = 11.1731003114 -0.776969106183 0.0792873138052 TCL: atom 1: phi = 0.0615811532553 TCL: Center of mass = 11.1746885954 -0.777267992807 0.0795591394781 TCL: atom 1: phi = 0.0608013243739 TCL: Center of mass = 11.1763121975 -0.777585476207 0.0798173925203 TCL: atom 1: phi = 0.0602166191424 TCL: Center of mass = 11.1779342963 -0.77787985916 0.0800460546983 TCL: atom 1: phi = 0.0596900999756 TCL: Center of mass = 11.1795603454 -0.77816433986 0.0802436973383 TCL: atom 1: phi = 0.0594407527317 TCL: Center of mass = 11.1811635476 -0.778408493957 0.0804118893151 TCL: atom 1: phi = 0.059119781694 TCL: Center of mass = 11.1827370822 -0.778648242404 0.0805456916424 TCL: atom 1: phi = 0.0589421875274 TCL: Center of mass = 11.1842568335 -0.778849425456 0.0806367375612 TCL: atom 1: phi = 0.0585462199353 TCL: Center of mass = 11.1857353613 -0.779053291093 0.0807285614245 TCL: atom 1: phi = 0.0582057699819 TCL: Center of mass = 11.1871665582 -0.77925156992 0.0808182364897 TCL: atom 1: phi = 0.0577336469609 TCL: Center of mass = 11.1885822629 -0.779480801282 0.0809362416048 TCL: atom 1: phi = 0.0574765316316 TCL: Center of mass = 11.1899787186 -0.779707636072 0.0810606961661 TCL: atom 1: phi = 0.0572890788424 TCL: Center of mass = 11.1914056215 -0.779959783284 0.0812021348173 TCL: atom 1: phi = 0.0574416263587 TCL: Center of mass = 11.1928438119 -0.780211773208 0.0813426871102 TCL: atom 1: phi = 0.0576709903478 TCL: Center of mass = 11.1942973963 -0.780452328747 0.0814838990172 TCL: atom 1: phi = 0.0581936046989 TCL: Center of mass = 11.1957284793 -0.78067317507 0.0815981348079 TCL: atom 1: phi = 0.0586443704074 TCL: Center of mass = 11.1971564529 -0.780859755489 0.0817039640344 TCL: atom 1: phi = 0.0590826936503 TCL: Center of mass = 11.1985519725 -0.781017914741 0.0817909085132 TCL: atom 1: phi = 0.0591925389937 TCL: Center of mass = 11.1999371757 -0.781164268826 0.0818951826278 TCL: atom 1: phi = 0.0591494436138 TCL: Center of mass = 11.2012734926 -0.781281786312 0.0819913564883 TCL: atom 1: phi = 0.0587784670452 TCL: Center of mass = 11.2025915314 -0.781405924374 0.0821125333827 TCL: atom 1: phi = 0.0583579809107 TCL: Center of mass = 11.2038915075 -0.781533487671 0.0822704156614 TCL: atom 1: phi = 0.0578783917609 TCL: Center of mass = 11.205219989 -0.781673131512 0.0824645054971 TCL: atom 1: phi = 0.0575983972614 TCL: Center of mass = 11.2065719434 -0.781812554297 0.0826825734787 TCL: atom 1: phi = 0.0573784575685 TCL: Center of mass = 11.2079634448 -0.781949633644 0.0829120722631 TCL: atom 1: phi = 0.0573838226722 TCL: Center of mass = 11.2093749924 -0.78208104748 0.0831142591374 TCL: atom 1: phi = 0.0573680615303 TCL: Center of mass = 11.2108263006 -0.782186543536 0.0833106688812 TCL: atom 1: phi = 0.0574626379187 TCL: Center of mass = 11.2122940233 -0.782260569626 0.0835017774071 TCL: atom 1: phi = 0.0573240762393 TCL: Center of mass = 11.2137796755 -0.782328678161 0.0837168661803 TCL: atom 1: phi = 0.0571936127531 TCL: Center of mass = 11.2152686907 -0.782387268264 0.0839773645404 TCL: atom 1: phi = 0.0568263432214 TCL: Center of mass = 11.216739965 -0.782471566516 0.0842644257997 TCL: atom 1: phi = 0.0565381154468 TCL: Center of mass = 11.2181776718 -0.78257212601 0.0845953531839 TCL: atom 1: phi = 0.0562049014095 TCL: Center of mass = 11.2195972947 -0.782722829053 0.0849771313704 TCL: atom 1: phi = 0.0560999431166 TCL: Center of mass = 11.220980785 -0.782874103071 0.0853847592519 TCL: atom 1: phi = 0.0561283349836 TCL: Center of mass = 11.222384909 -0.783058603976 0.0858098922625 TCL: atom 1: phi = 0.0564761096607 TCL: Center of mass = 11.2237966457 -0.783250465002 0.0862232545392 TCL: atom 1: phi = 0.0568696540936 TCL: Center of mass = 11.2252467696 -0.783449943562 0.086626060663 TCL: atom 1: phi = 0.0573330314726 TCL: Center of mass = 11.2267056445 -0.783640356807 0.0870022802318 TCL: atom 1: phi = 0.0575993072494 TCL: Center of mass = 11.2281945254 -0.783840386269 0.0873477049618 TCL: atom 1: phi = 0.0577362238149 TCL: Center of mass = 11.2296760951 -0.784003102753 0.0876761403089 TCL: atom 1: phi = 0.057562615447 LDB: LOAD: AVG 1.63969 MAX 5.35556 MSGS: TOTAL 80 MAXC 8 MAXP 10 None Warning: 1 processors are overloaded due to high background load. LDB: LOAD: AVG 1.63969 MAX 5.35556 MSGS: TOTAL 80 MAXC 8 MAXP 10 Refine TCL: Center of mass = 11.2311547422 -0.784154533813 0.0879736682796 TCL: atom 1: phi = 0.0573359020072 TCL: Center of mass = 11.2325766603 -0.784310289774 0.0882623958006 TCL: atom 1: phi = 0.0570516055926 WRITING COORDINATES TO DCD FILE AT STEP 8400 WRITING COORDINATES TO RESTART FILE AT STEP 8400 FINISHED WRITING RESTART COORDINATES TIMING: 8400 CPU: 447.803, 0.0536318/step Wall: 537.149, 0.0665135/step, 0.214321 hours remaining, 13608 kB of memory in use. ENERGY: 8400 3474.6518 2445.0170 388.3573 40.4440 -44556.6130 4058.2435 0.0000 0.0000 9636.2450 -24513.6544 285.6575 -24367.8270 -24372.5801 288.8371 230.4039 -1604.3205 125000.0000 -1239.7986 -1239.9373 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8400 WRITING VELOCITIES TO RESTART FILE AT STEP 8400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 11.2339398043 -0.784502638319 0.0885365781916 TCL: atom 1: phi = 0.056930514139 TCL: Center of mass = 11.2352407965 -0.784707803943 0.0887830307647 TCL: atom 1: phi = 0.0568905182417 TCL: Center of mass = 11.2365312756 -0.784941561305 0.0890037413712 TCL: atom 1: phi = 0.0571386901536 TCL: Center of mass = 11.2378366057 -0.785200652573 0.0891840553453 TCL: atom 1: phi = 0.057523562419 TCL: Center of mass = 11.2391466576 -0.785472148243 0.089309180567 TCL: atom 1: phi = 0.0580850567577 TCL: Center of mass = 11.240495623 -0.78573714318 0.0893860630631 TCL: atom 1: phi = 0.0586248492597 TCL: Center of mass = 11.241896656 -0.785990559248 0.0894359629074 TCL: atom 1: phi = 0.0591654127502 TCL: Center of mass = 11.2433132876 -0.786224764394 0.0894575290885 TCL: atom 1: phi = 0.0595757993497 TCL: Center of mass = 11.2447542748 -0.786439956475 0.0894764749864 TCL: atom 1: phi = 0.0600772656684 TCL: Center of mass = 11.2461941495 -0.786625167742 0.0895010445588 TCL: atom 1: phi = 0.0606161181187 TCL: Center of mass = 11.2476287511 -0.786790486313 0.0895614095177 TCL: atom 1: phi = 0.061382889284 TCL: Center of mass = 11.2490494126 -0.786940380308 0.0896633321506 TCL: atom 1: phi = 0.0623307342914 TCL: Center of mass = 11.2504711072 -0.787077238283 0.0898087720399 TCL: atom 1: phi = 0.0635264781795 TCL: Center of mass = 11.2519084986 -0.78719790184 0.0899777974594 TCL: atom 1: phi = 0.0647477493351 TCL: Center of mass = 11.2533979739 -0.787339356751 0.0901894657107 TCL: atom 1: phi = 0.0659713013008 TCL: Center of mass = 11.254915232 -0.787471867347 0.0904532672436 TCL: atom 1: phi = 0.0669515643256 TCL: Center of mass = 11.2564831908 -0.787617602292 0.0907386272332 TCL: atom 1: phi = 0.0677227523952 TCL: Center of mass = 11.2580829475 -0.787749990655 0.0910673342104 TCL: atom 1: phi = 0.0680864311677 TCL: Center of mass = 11.2597360291 -0.787892121156 0.0914244317084 TCL: atom 1: phi = 0.0682477579122 TCL: Center of mass = 11.2613814514 -0.788019242084 0.0917982155523 TCL: atom 1: phi = 0.0680622304079 TCL: Center of mass = 11.2630303246 -0.788143491431 0.0921786483872 TCL: atom 1: phi = 0.0677940958618 TCL: Center of mass = 11.2646433175 -0.788230160765 0.0925707588125 TCL: atom 1: phi = 0.0673492427071 TCL: Center of mass = 11.2662352032 -0.788316840493 0.0929734543449 TCL: atom 1: phi = 0.0669845697105 TCL: Center of mass = 11.2677911585 -0.788416712426 0.0933875670298 TCL: atom 1: phi = 0.0665676594277 TCL: Center of mass = 11.2693405384 -0.788558139066 0.0937920529228 TCL: atom 1: phi = 0.0662644374756 TCL: Center of mass = 11.2708983214 -0.788716187122 0.0941760529194 TCL: atom 1: phi = 0.0658619537617 TCL: Center of mass = 11.2724749403 -0.788921519748 0.094538225586 TCL: atom 1: phi = 0.0654811243215 TCL: Center of mass = 11.2740810198 -0.789117909467 0.0948696189399 TCL: atom 1: phi = 0.0649775932582 TCL: Center of mass = 11.2757179317 -0.789317381769 0.0951863142891 TCL: atom 1: phi = 0.0645285425927 TCL: Center of mass = 11.2773979214 -0.789492075615 0.0954794129294 TCL: atom 1: phi = 0.0640428554112 TCL: Center of mass = 11.2790849818 -0.789635966782 0.0957461581137 TCL: atom 1: phi = 0.063794499758 TCL: Center of mass = 11.2807651191 -0.7897406498 0.0959903626228 TCL: atom 1: phi = 0.0637893708705 TCL: Center of mass = 11.2824120621 -0.78981591288 0.0962293719174 TCL: atom 1: phi = 0.06419636422 TCL: Center of mass = 11.284033412 -0.789854039987 0.0964506348006 TCL: atom 1: phi = 0.0648111829526 TCL: Center of mass = 11.2856475858 -0.789890360261 0.0966922270893 TCL: atom 1: phi = 0.0657137203718 TCL: Center of mass = 11.28725417 -0.78990412234 0.0969286650149 TCL: atom 1: phi = 0.0666142489836 TCL: Center of mass = 11.2888652805 -0.789925309821 0.097188645998 TCL: atom 1: phi = 0.0675229465005 TCL: Center of mass = 11.2904857191 -0.789922805854 0.0974553064068 TCL: atom 1: phi = 0.0681534018288 TCL: Center of mass = 11.2921130346 -0.789931987407 0.0977357200194 TCL: atom 1: phi = 0.068665301526 TCL: Center of mass = 11.2937578548 -0.789932423522 0.0980268309595 TCL: atom 1: phi = 0.0689266962757 TCL: Center of mass = 11.295409712 -0.789938629954 0.0983185686685 TCL: atom 1: phi = 0.0691485193402 TCL: Center of mass = 11.297080972 -0.789920201053 0.0985973267388 TCL: atom 1: phi = 0.0691832652757 TCL: Center of mass = 11.2987393918 -0.789918392933 0.0988550687735 TCL: atom 1: phi = 0.0692825300515 TCL: Center of mass = 11.3003584222 -0.789887725836 0.0990815974016 TCL: atom 1: phi = 0.0693443698429 TCL: Center of mass = 11.3019347369 -0.789867579278 0.099270345361 TCL: atom 1: phi = 0.0694388883393 TCL: Center of mass = 11.3034609659 -0.789849607675 0.0994338358876 TCL: atom 1: phi = 0.0693916277364 TCL: Center of mass = 11.3049355988 -0.789866721787 0.0995866814359 TCL: atom 1: phi = 0.069351485696 TCL: Center of mass = 11.3064046687 -0.789904951521 0.0997093846528 TCL: atom 1: phi = 0.0691324320477 TCL: Center of mass = 11.3078729091 -0.790015638809 0.0998331759914 TCL: atom 1: phi = 0.0689335600359 TCL: Center of mass = 11.309321813 -0.790131796842 0.0999458137035 TCL: atom 1: phi = 0.0686458435179 TCL: Center of mass = 11.3107771806 -0.790266641256 0.100033016313 TCL: atom 1: phi = 0.0684721034029 TCL: Center of mass = 11.3122343541 -0.790391453234 0.10007492651 TCL: atom 1: phi = 0.0683645150689 TCL: Center of mass = 11.3137008698 -0.790481434477 0.100076337716 TCL: atom 1: phi = 0.0686130718928 TCL: Center of mass = 11.3151597257 -0.790529731544 0.100025708851 TCL: atom 1: phi = 0.0689912938223 TCL: Center of mass = 11.3165992571 -0.790552674939 0.0999490048521 TCL: atom 1: phi = 0.0696509656135 TCL: Center of mass = 11.3180164088 -0.790535198479 0.0998621824989 TCL: atom 1: phi = 0.0703072563497 TCL: Center of mass = 11.3194175772 -0.790508027846 0.0997839013533 TCL: atom 1: phi = 0.0710390678516 TCL: Center of mass = 11.3207850163 -0.790474683871 0.0997213236985 TCL: atom 1: phi = 0.0716382166904 TCL: Center of mass = 11.3221422373 -0.790458023033 0.0996987288066 TCL: atom 1: phi = 0.072141054021 TCL: Center of mass = 11.3234819981 -0.79044596866 0.0997256025226 TCL: atom 1: phi = 0.0724025632546 TCL: Center of mass = 11.3248078292 -0.790439369489 0.0997702386863 TCL: atom 1: phi = 0.0725796798629 TCL: Center of mass = 11.3261596663 -0.790416561623 0.0998270311111 TCL: atom 1: phi = 0.0725945134037 TCL: Center of mass = 11.3275312961 -0.790390914506 0.0998807269768 TCL: atom 1: phi = 0.0725590518094 TCL: Center of mass = 11.3289095555 -0.790342054108 0.0999330504502 TCL: atom 1: phi = 0.0723883503846 TCL: Center of mass = 11.3302965736 -0.790279439839 0.100008557075 TCL: atom 1: phi = 0.0722837471975 TCL: Center of mass = 11.331657852 -0.7901940942 0.100091984692 TCL: atom 1: phi = 0.0720711980699 TCL: Center of mass = 11.3330015919 -0.790113732099 0.100208939292 TCL: atom 1: phi = 0.0719373300434 TCL: Center of mass = 11.3342989686 -0.790043815378 0.100357566373 TCL: atom 1: phi = 0.0717006423157 TCL: Center of mass = 11.3355659175 -0.79001535345 0.100549462855 TCL: atom 1: phi = 0.071546382049 TCL: Center of mass = 11.3367922285 -0.790010531657 0.100754638047 TCL: atom 1: phi = 0.071413804362 TCL: Center of mass = 11.3380040418 -0.790030844404 0.100992404369 TCL: atom 1: phi = 0.0715035909887 TCL: Center of mass = 11.3391909835 -0.790057276274 0.101219877826 TCL: atom 1: phi = 0.0717954164958 TCL: Center of mass = 11.3403889004 -0.790096879372 0.101453367858 TCL: atom 1: phi = 0.0724507428805 TCL: Center of mass = 11.3416073663 -0.790103509921 0.101680211942 TCL: atom 1: phi = 0.0733438102138 TCL: Center of mass = 11.3428215598 -0.790102568462 0.101907833301 TCL: atom 1: phi = 0.0746796369817 TCL: Center of mass = 11.3440514195 -0.790090026017 0.102113445776 TCL: atom 1: phi = 0.0760909881779 TCL: Center of mass = 11.3452773367 -0.790085839666 0.102332205616 TCL: atom 1: phi = 0.0776990119238 TCL: Center of mass = 11.346493685 -0.79009276405 0.102556109357 TCL: atom 1: phi = 0.0792093063723 TCL: Center of mass = 11.3477103804 -0.790121188846 0.102805655543 TCL: atom 1: phi = 0.0807054850387 TCL: Center of mass = 11.3488993678 -0.790174219516 0.103067857609 TCL: atom 1: phi = 0.0819262316593 TCL: Center of mass = 11.3500585363 -0.790264300646 0.103338142259 TCL: atom 1: phi = 0.0829780736737 TCL: Center of mass = 11.3511915555 -0.790373485806 0.103618256939 TCL: atom 1: phi = 0.0835930724368 TCL: Center of mass = 11.352355927 -0.790485405768 0.103892251789 TCL: atom 1: phi = 0.0840262723186 TCL: Center of mass = 11.3535283228 -0.790606493115 0.104141899927 TCL: atom 1: phi = 0.0840090844077 TCL: Center of mass = 11.3547322501 -0.790721093101 0.104392951802 TCL: atom 1: phi = 0.08379285882 TCL: Center of mass = 11.3559778158 -0.790797356288 0.10463546987 TCL: atom 1: phi = 0.0831132193952 TCL: Center of mass = 11.3572412941 -0.790863517926 0.104869091142 TCL: atom 1: phi = 0.0821928714655 TCL: Center of mass = 11.3585291373 -0.790916756445 0.105090539117 TCL: atom 1: phi = 0.080867155433 TCL: Center of mass = 11.3598287031 -0.790982041139 0.10532606983 TCL: atom 1: phi = 0.079435336391 TCL: Center of mass = 11.361113026 -0.791063882497 0.10558172114 TCL: atom 1: phi = 0.0777610010254 TCL: Center of mass = 11.3623975901 -0.79116980321 0.105847257268 TCL: atom 1: phi = 0.076190873374 TCL: Center of mass = 11.36367286 -0.791295997535 0.106116334515 TCL: atom 1: phi = 0.0746086018659 TCL: Center of mass = 11.3649370225 -0.791452974579 0.106365096812 TCL: atom 1: phi = 0.0734115959478 TCL: Center of mass = 11.3661786224 -0.791646594015 0.106601569371 TCL: atom 1: phi = 0.0724409668239 TCL: Center of mass = 11.3674370618 -0.791862488547 0.106811260804 TCL: atom 1: phi = 0.0718383192287 TCL: Center of mass = 11.3686952691 -0.7920944307 0.10699658996 TCL: atom 1: phi = 0.0713974244225 TCL: Center of mass = 11.3699726227 -0.792341394735 0.107174229446 TCL: atom 1: phi = 0.0712036423713 TCL: Center of mass = 11.3712543021 -0.792606320422 0.10733546076 TCL: atom 1: phi = 0.0710423747608 TCL: Center of mass = 11.3725560113 -0.792893059612 0.107515105077 TCL: atom 1: phi = 0.0710951288273 TCL: Center of mass = 11.3738624883 -0.793232770435 0.107694142744 TCL: atom 1: phi = 0.0711057131048 WRITING COORDINATES TO DCD FILE AT STEP 8500 WRITING COORDINATES TO RESTART FILE AT STEP 8500 FINISHED WRITING RESTART COORDINATES TIMING: 8500 CPU: 453.144, 0.0534119/step Wall: 543.469, 0.0632/step, 0.201889 hours remaining, 13608 kB of memory in use. ENERGY: 8500 3442.6560 2533.8515 381.8238 40.4713 -44628.6422 4003.6654 0.0000 0.0000 9705.8448 -24520.3293 287.7207 -24377.4472 -24371.0727 288.8214 386.5309 -1411.1313 125000.0000 -1442.4518 -1445.1737 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8500 WRITING VELOCITIES TO RESTART FILE AT STEP 8500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 11.3751824045 -0.793612790712 0.107868142158 TCL: atom 1: phi = 0.0712437564487 TCL: Center of mass = 11.3764852255 -0.794047560442 0.108020899111 TCL: atom 1: phi = 0.0713147072271 TCL: Center of mass = 11.377796992 -0.794518561453 0.108149869951 TCL: atom 1: phi = 0.0714642999367 TCL: Center of mass = 11.3791306292 -0.795017216258 0.108260918973 TCL: atom 1: phi = 0.0715069020712 TCL: Center of mass = 11.380494562 -0.795547938458 0.108376434239 TCL: atom 1: phi = 0.0715245573004 TCL: Center of mass = 11.3819007681 -0.796116335818 0.108509209476 TCL: atom 1: phi = 0.0712914384708 TCL: Center of mass = 11.3833510879 -0.796708511876 0.10864006902 TCL: atom 1: phi = 0.0709217819448 TCL: Center of mass = 11.3848354475 -0.797327298157 0.108788093277 TCL: atom 1: phi = 0.0702180475922 TCL: Center of mass = 11.3863379946 -0.797938469618 0.108948335457 TCL: atom 1: phi = 0.0693743657709 TCL: Center of mass = 11.3878536013 -0.798542672174 0.109112021193 TCL: atom 1: phi = 0.0682390409508 TCL: Center of mass = 11.3893910875 -0.799160586022 0.109255343385 TCL: atom 1: phi = 0.0671078149757 TCL: Center of mass = 11.3909215571 -0.799776655564 0.109397969905 TCL: atom 1: phi = 0.0658712166837 TCL: Center of mass = 11.3924420135 -0.800388103741 0.109547245826 TCL: atom 1: phi = 0.0647855261774 TCL: Center of mass = 11.3939419833 -0.800969334526 0.10971264285 TCL: atom 1: phi = 0.0637662601977 TCL: Center of mass = 11.3954359732 -0.801563957278 0.109860648492 TCL: atom 1: phi = 0.0629962923403 TCL: Center of mass = 11.3969302521 -0.802136635818 0.110018282531 TCL: atom 1: phi = 0.0622364448363 TCL: Center of mass = 11.3984303606 -0.802712712855 0.110177513354 TCL: atom 1: phi = 0.0616138459209 TCL: Center of mass = 11.3999269742 -0.803246873468 0.110341167556 TCL: atom 1: phi = 0.0609832215221 TCL: Center of mass = 11.4014258149 -0.80375176863 0.11053130332 TCL: atom 1: phi = 0.0604445047482 TCL: Center of mass = 11.4029387084 -0.804199006712 0.110714535247 TCL: atom 1: phi = 0.0598595570467 TCL: Center of mass = 11.4044619274 -0.804621265105 0.110900665126 TCL: atom 1: phi = 0.0593544580199 TCL: Center of mass = 11.40599297 -0.804990597797 0.111072540106 TCL: atom 1: phi = 0.0588291080845 TCL: Center of mass = 11.407538271 -0.805345057739 0.111233162284 TCL: atom 1: phi = 0.058411467667 TCL: Center of mass = 11.4090950477 -0.805693738642 0.111375607932 TCL: atom 1: phi = 0.0579058731244 TCL: Center of mass = 11.4106595488 -0.806069588746 0.111491265626 TCL: atom 1: phi = 0.0574936232109 TCL: Center of mass = 11.4122532903 -0.806468249422 0.111612953726 TCL: atom 1: phi = 0.0569280063129 TCL: Center of mass = 11.4138802124 -0.806898587732 0.111759760353 TCL: atom 1: phi = 0.0562709218841 TCL: Center of mass = 11.4155543103 -0.807353637821 0.111923084848 TCL: atom 1: phi = 0.0553644874687 TCL: Center of mass = 11.4172669142 -0.807841611418 0.112118254823 TCL: atom 1: phi = 0.0543855400124 TCL: Center of mass = 11.4190296449 -0.808305466322 0.112323435039 TCL: atom 1: phi = 0.0531654544632 TCL: Center of mass = 11.4208250753 -0.808777051568 0.112542053889 TCL: atom 1: phi = 0.0520438692176 TCL: Center of mass = 11.4226391494 -0.809239434693 0.112771016599 TCL: atom 1: phi = 0.0509852540262 TCL: Center of mass = 11.4244822668 -0.809705377252 0.113000703269 TCL: atom 1: phi = 0.0502795796973 TCL: Center of mass = 11.4263192659 -0.810162970436 0.113240116822 TCL: atom 1: phi = 0.049825320711 TCL: Center of mass = 11.4281298331 -0.810612321904 0.113487892873 TCL: atom 1: phi = 0.0497558287138 TCL: Center of mass = 11.4299267678 -0.811076710121 0.113752409395 TCL: atom 1: phi = 0.0499310926303 TCL: Center of mass = 11.4317016322 -0.811551770913 0.114015441096 TCL: atom 1: phi = 0.0504755306763 TCL: Center of mass = 11.4334485645 -0.81198653229 0.114312271158 TCL: atom 1: phi = 0.0512306993524 TCL: Center of mass = 11.4351957831 -0.812424893146 0.114625908033 TCL: atom 1: phi = 0.0522478769217 TCL: Center of mass = 11.4369405256 -0.812799720766 0.114952669315 TCL: atom 1: phi = 0.0533689781359 TCL: Center of mass = 11.4386704665 -0.813121817096 0.115296322165 TCL: atom 1: phi = 0.0546927336443 TCL: Center of mass = 11.4404005527 -0.813363140094 0.115629001722 TCL: atom 1: phi = 0.0560006544399 TCL: Center of mass = 11.4421216147 -0.813560827966 0.115939301844 TCL: atom 1: phi = 0.0574957195914 TCL: Center of mass = 11.4438387228 -0.813691394313 0.116219450312 TCL: atom 1: phi = 0.0589844449722 TCL: Center of mass = 11.4455708131 -0.813800886819 0.11646826073 TCL: atom 1: phi = 0.0604868996358 TCL: Center of mass = 11.4473038956 -0.813877324293 0.11668565182 TCL: atom 1: phi = 0.0618663710801 TCL: Center of mass = 11.4490316703 -0.813960740223 0.116889061622 TCL: atom 1: phi = 0.0630982695814 TCL: Center of mass = 11.4507557712 -0.814054833349 0.117064361823 TCL: atom 1: phi = 0.0639905861863 TCL: Center of mass = 11.4524749075 -0.814152418035 0.117233438861 TCL: atom 1: phi = 0.0645987837074 TCL: Center of mass = 11.4542143945 -0.814244348232 0.117368391668 TCL: atom 1: phi = 0.0647999728542 TCL: Center of mass = 11.4559834191 -0.814367519387 0.117492771169 TCL: atom 1: phi = 0.064641066715 TCL: Center of mass = 11.4577985404 -0.814472945161 0.117573845808 TCL: atom 1: phi = 0.0641032419282 TCL: Center of mass = 11.459654423 -0.814590367519 0.117662491451 TCL: atom 1: phi = 0.063320495664 TCL: Center of mass = 11.461551729 -0.814711826578 0.117729834752 TCL: atom 1: phi = 0.0623235442056 TCL: Center of mass = 11.4634871424 -0.814852554219 0.117814385225 TCL: atom 1: phi = 0.0613854906611 TCL: Center of mass = 11.4654404182 -0.814977188024 0.117909429586 TCL: atom 1: phi = 0.0604586588947 TCL: Center of mass = 11.467403889 -0.815116633692 0.118028671636 TCL: atom 1: phi = 0.0596611923167 TCL: Center of mass = 11.4693937533 -0.815250618189 0.118175792826 TCL: atom 1: phi = 0.0589503091252 TCL: Center of mass = 11.4713757831 -0.81541655828 0.118335948498 TCL: atom 1: phi = 0.0583883819 TCL: Center of mass = 11.4733703101 -0.815563134658 0.11852176412 TCL: atom 1: phi = 0.0578291761693 TCL: Center of mass = 11.4753683404 -0.81571198926 0.11871209349 TCL: atom 1: phi = 0.0574380587256 TCL: Center of mass = 11.4773563038 -0.815826228795 0.118899737917 TCL: atom 1: phi = 0.0570892818465 TCL: Center of mass = 11.4793610935 -0.815953392122 0.11910723772 TCL: atom 1: phi = 0.0569078146384 TCL: Center of mass = 11.4813882563 -0.816036243593 0.119314313483 TCL: atom 1: phi = 0.0567915020441 TCL: Center of mass = 11.4834246202 -0.816108569104 0.119525423424 TCL: atom 1: phi = 0.0568272497631 TCL: Center of mass = 11.4854785757 -0.816157080052 0.119727774062 TCL: atom 1: phi = 0.0568722082774 TCL: Center of mass = 11.487544784 -0.816182770301 0.119946119583 TCL: atom 1: phi = 0.0570222526013 TCL: Center of mass = 11.489637509 -0.816200935297 0.12014477658 TCL: atom 1: phi = 0.0570319546686 TCL: Center of mass = 11.4917204413 -0.816245529396 0.120320445888 TCL: atom 1: phi = 0.0570507542519 TCL: Center of mass = 11.4938299824 -0.816288509632 0.120468089238 TCL: atom 1: phi = 0.0568084503975 TCL: Center of mass = 11.4959587902 -0.816349786841 0.120592715297 TCL: atom 1: phi = 0.056480185738 TCL: Center of mass = 11.4981037599 -0.816421609354 0.120704553336 TCL: atom 1: phi = 0.0559121509927 TCL: Center of mass = 11.5002584294 -0.816505892945 0.120799262702 TCL: atom 1: phi = 0.0552801401345 TCL: Center of mass = 11.5024320572 -0.816580098149 0.120855063016 TCL: atom 1: phi = 0.0545154496755 TCL: Center of mass = 11.5046059747 -0.816664358258 0.120904014341 TCL: atom 1: phi = 0.0538324451538 TCL: Center of mass = 11.5067890059 -0.816755344421 0.120947008659 TCL: atom 1: phi = 0.0532049088043 TCL: Center of mass = 11.5089901943 -0.816845737118 0.120980571803 TCL: atom 1: phi = 0.0528657980933 TCL: Center of mass = 11.5111963399 -0.816929615615 0.12100724385 TCL: atom 1: phi = 0.0526292346461 TCL: Center of mass = 11.5134007759 -0.817021080853 0.121048913498 TCL: atom 1: phi = 0.0526777006386 TCL: Center of mass = 11.5155825067 -0.817081551105 0.121094156942 TCL: atom 1: phi = 0.0527935748484 TCL: Center of mass = 11.5177345263 -0.817139531172 0.121153453097 TCL: atom 1: phi = 0.0530340059068 TCL: Center of mass = 11.5198337786 -0.817158952914 0.12120414558 TCL: atom 1: phi = 0.0532667132723 TCL: Center of mass = 11.5218981989 -0.81717787289 0.121270572824 TCL: atom 1: phi = 0.0536124296265 TCL: Center of mass = 11.5239308612 -0.817160234074 0.121346395134 TCL: atom 1: phi = 0.053892939797 TCL: Center of mass = 11.5259463459 -0.817107614955 0.121463991887 TCL: atom 1: phi = 0.0543144652717 TCL: Center of mass = 11.5279354631 -0.817009903825 0.121591032355 TCL: atom 1: phi = 0.0547471976564 TCL: Center of mass = 11.5298898151 -0.8168802449 0.121760389258 TCL: atom 1: phi = 0.0553778928777 TCL: Center of mass = 11.5318046976 -0.816694916633 0.121958751963 TCL: atom 1: phi = 0.055971335687 TCL: Center of mass = 11.5336935338 -0.816485974434 0.122187226548 TCL: atom 1: phi = 0.0565673484114 TCL: Center of mass = 11.5355404491 -0.81623286637 0.12242033599 TCL: atom 1: phi = 0.0569698711897 TCL: Center of mass = 11.5373515792 -0.815976835556 0.122656596206 TCL: atom 1: phi = 0.0572537126072 TCL: Center of mass = 11.5391284851 -0.815699625886 0.122907676459 TCL: atom 1: phi = 0.0572316592187 TCL: Center of mass = 11.5409006026 -0.815458374207 0.123145283077 TCL: atom 1: phi = 0.0570772068584 TCL: Center of mass = 11.5426393555 -0.81525818154 0.123373189381 TCL: atom 1: phi = 0.056635883662 TCL: Center of mass = 11.5444029324 -0.815104914054 0.12359454513 TCL: atom 1: phi = 0.0561344449065 TCL: Center of mass = 11.5461814256 -0.814985949821 0.123812476226 TCL: atom 1: phi = 0.0554972212659 TCL: Center of mass = 11.5479877448 -0.814931612774 0.124031603329 TCL: atom 1: phi = 0.0549308505368 TCL: Center of mass = 11.5498265782 -0.814900446017 0.124239531548 TCL: atom 1: phi = 0.0543326345263 TCL: Center of mass = 11.5517031854 -0.814901740631 0.124438749586 TCL: atom 1: phi = 0.0539085641428 TCL: Center of mass = 11.5536105836 -0.814912113412 0.124618476514 TCL: atom 1: phi = 0.0534825691568 WRITING COORDINATES TO DCD FILE AT STEP 8600 WRITING COORDINATES TO RESTART FILE AT STEP 8600 FINISHED WRITING RESTART COORDINATES TIMING: 8600 CPU: 458.472, 0.0532819/step Wall: 549.78, 0.063112/step, 0.199855 hours remaining, 13608 kB of memory in use. ENERGY: 8600 3449.7791 2416.2705 387.8503 44.9009 -44791.4943 4237.9926 0.0000 0.0000 9773.4826 -24481.2182 289.7258 -24335.8722 -24337.5949 289.0554 1023.0365 -1075.3075 125000.0000 -1030.5057 -1031.0144 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8600 WRITING VELOCITIES TO RESTART FILE AT STEP 8600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 11.5555602634 -0.814960323568 0.124768685801 TCL: atom 1: phi = 0.0532701335327 TCL: Center of mass = 11.5575117269 -0.815019488671 0.124908127845 TCL: atom 1: phi = 0.0530111261384 TCL: Center of mass = 11.5594870711 -0.815125459612 0.125036390451 TCL: atom 1: phi = 0.0529437221906 TCL: Center of mass = 11.5614491328 -0.815250955946 0.125145036455 TCL: atom 1: phi = 0.0528553481305 TCL: Center of mass = 11.5634401086 -0.81541295052 0.125276355536 TCL: atom 1: phi = 0.0529637534435 TCL: Center of mass = 11.5654079246 -0.815582346126 0.125419157996 TCL: atom 1: phi = 0.0531138283231 TCL: Center of mass = 11.5674025766 -0.815771970916 0.125578546417 TCL: atom 1: phi = 0.0535039765087 TCL: Center of mass = 11.5693637517 -0.815943287476 0.125771494462 TCL: atom 1: phi = 0.0540788420152 TCL: Center of mass = 11.5713199345 -0.816091953496 0.126001986196 TCL: atom 1: phi = 0.0549189551271 TCL: Center of mass = 11.5732411758 -0.816224886004 0.126235390336 TCL: atom 1: phi = 0.0558638429855 TCL: Center of mass = 11.5751545026 -0.816349255499 0.126474124323 TCL: atom 1: phi = 0.0569371024764 TCL: Center of mass = 11.5770158203 -0.816454596487 0.126708538769 TCL: atom 1: phi = 0.0579129501159 TCL: Center of mass = 11.5788489053 -0.816574923607 0.126948646446 TCL: atom 1: phi = 0.0588706271956 TCL: Center of mass = 11.5806590539 -0.816695437359 0.127185958074 TCL: atom 1: phi = 0.0596646158083 TCL: Center of mass = 11.5824728584 -0.816857114817 0.127418932883 TCL: atom 1: phi = 0.0603730277845 TCL: Center of mass = 11.5842546348 -0.817040892649 0.127651798515 TCL: atom 1: phi = 0.0609123967162 TCL: Center of mass = 11.5860282398 -0.817266773821 0.127901661262 TCL: atom 1: phi = 0.0614422818092 TCL: Center of mass = 11.587781582 -0.817529580901 0.128148524133 TCL: atom 1: phi = 0.0619135181263 TCL: Center of mass = 11.5895440719 -0.817824739309 0.128377205739 TCL: atom 1: phi = 0.0625554951517 TCL: Center of mass = 11.5912708659 -0.81814704438 0.1285709753 TCL: atom 1: phi = 0.0632016204463 TCL: Center of mass = 11.5930081592 -0.81849182646 0.12872504302 TCL: atom 1: phi = 0.0639392210612 TCL: Center of mass = 11.5947254254 -0.818843049952 0.128830774949 TCL: atom 1: phi = 0.0646060416366 TCL: Center of mass = 11.5964586642 -0.819213811225 0.128909497511 TCL: atom 1: phi = 0.0652969703712 TCL: Center of mass = 11.5981629401 -0.819576894907 0.128957112231 TCL: atom 1: phi = 0.0658620109008 TCL: Center of mass = 11.5998698447 -0.819959096837 0.128989589128 TCL: atom 1: phi = 0.0663650362864 TCL: Center of mass = 11.6015374652 -0.820342166696 0.128999723953 TCL: atom 1: phi = 0.0666533486477 TCL: Center of mass = 11.6031998119 -0.820736268278 0.128999265719 TCL: atom 1: phi = 0.0669336499161 TCL: Center of mass = 11.6047967534 -0.821098626825 0.128992929999 TCL: atom 1: phi = 0.0670794851194 TCL: Center of mass = 11.6063726165 -0.821450195428 0.128992496106 TCL: atom 1: phi = 0.067314227735 TCL: Center of mass = 11.6079203522 -0.821762921177 0.128989742045 TCL: atom 1: phi = 0.0674491626602 TCL: Center of mass = 11.6094408255 -0.822021696075 0.128989744492 TCL: atom 1: phi = 0.0676005372997 TCL: Center of mass = 11.6109068086 -0.822229231381 0.128998498019 TCL: atom 1: phi = 0.067581879376 TCL: Center of mass = 11.612361984 -0.822402498988 0.129015164505 TCL: atom 1: phi = 0.067522934549 TCL: Center of mass = 11.6138151232 -0.822552937949 0.129061527517 TCL: atom 1: phi = 0.0671946019327 TCL: Center of mass = 11.6152596344 -0.822671507762 0.129115711161 TCL: atom 1: phi = 0.0666637948209 TCL: Center of mass = 11.6166692718 -0.822764115547 0.129190390186 TCL: atom 1: phi = 0.0658000151404 TCL: Center of mass = 11.618101964 -0.822864454857 0.129272031858 TCL: atom 1: phi = 0.0647901541599 TCL: Center of mass = 11.6195379341 -0.822962856508 0.129360396359 TCL: atom 1: phi = 0.0635206650362 TCL: Center of mass = 11.6209562233 -0.823070038781 0.129456701042 TCL: atom 1: phi = 0.0622972826193 TCL: Center of mass = 11.6223533714 -0.823204658579 0.129553072856 TCL: atom 1: phi = 0.0610174221369 TCL: Center of mass = 11.6237850455 -0.823387892865 0.129628059469 TCL: atom 1: phi = 0.0598964349924 TCL: Center of mass = 11.6252180587 -0.823627026681 0.129704138906 TCL: atom 1: phi = 0.0588033031527 TCL: Center of mass = 11.6266956822 -0.823924106834 0.129797989802 TCL: atom 1: phi = 0.0578975944183 TCL: Center of mass = 11.6281929733 -0.824263050241 0.129911370739 TCL: atom 1: phi = 0.0570397394587 TCL: Center of mass = 11.6297263277 -0.824656176657 0.130066569677 TCL: atom 1: phi = 0.0562848275593 TCL: Center of mass = 11.63128752 -0.825097102797 0.130244952527 TCL: atom 1: phi = 0.0554967921952 TCL: Center of mass = 11.6328718262 -0.825563384238 0.130470565821 TCL: atom 1: phi = 0.0548399544816 TCL: Center of mass = 11.6344483439 -0.826043863005 0.130730647312 TCL: atom 1: phi = 0.0542976203455 TCL: Center of mass = 11.6360223079 -0.826528824856 0.131016472188 TCL: atom 1: phi = 0.0540266093055 TCL: Center of mass = 11.6375729115 -0.827014917057 0.131305928592 TCL: atom 1: phi = 0.0539749364567 TCL: Center of mass = 11.6390820742 -0.827473689989 0.131617082676 TCL: atom 1: phi = 0.0542579280615 TCL: Center of mass = 11.6405474298 -0.827914538774 0.131940939529 TCL: atom 1: phi = 0.0547359313103 TCL: Center of mass = 11.6419854335 -0.828335696529 0.13230315819 TCL: atom 1: phi = 0.0554064429464 TCL: Center of mass = 11.6433955161 -0.828722777865 0.132684705762 TCL: atom 1: phi = 0.0560533796903 TCL: Center of mass = 11.6447750717 -0.829078248333 0.133094990193 TCL: atom 1: phi = 0.0566859309369 TCL: Center of mass = 11.646151957 -0.829389345735 0.133511215011 TCL: atom 1: phi = 0.0570754322117 TCL: Center of mass = 11.6475443964 -0.82965406622 0.13393347238 TCL: atom 1: phi = 0.0572981721551 TCL: Center of mass = 11.6489259613 -0.829867297357 0.134349287834 TCL: atom 1: phi = 0.0572578609719 TCL: Center of mass = 11.6503133923 -0.830037144934 0.134752087269 TCL: atom 1: phi = 0.0571012935206 TCL: Center of mass = 11.6517179019 -0.830154751542 0.13512506446 TCL: atom 1: phi = 0.0567710533398 TCL: Center of mass = 11.6531517259 -0.83026687831 0.135466940927 TCL: atom 1: phi = 0.0565228275686 TCL: Center of mass = 11.6546094696 -0.830371493656 0.135798357701 TCL: atom 1: phi = 0.0562393967641 TCL: Center of mass = 11.6560998015 -0.830466924129 0.136154158402 TCL: atom 1: phi = 0.0561154525887 TCL: Center of mass = 11.6576310963 -0.830563192281 0.136510235014 TCL: atom 1: phi = 0.0559312496047 TCL: Center of mass = 11.6592035505 -0.830702806849 0.13689220895 TCL: atom 1: phi = 0.0558150763814 TCL: Center of mass = 11.6608106421 -0.830867224778 0.137299666635 TCL: atom 1: phi = 0.0555482393543 TCL: Center of mass = 11.6624713062 -0.831062318398 0.137697048175 TCL: atom 1: phi = 0.0553247563555 TCL: Center of mass = 11.664179885 -0.831294799751 0.138088470829 TCL: atom 1: phi = 0.055026486885 TCL: Center of mass = 11.6659282271 -0.831547759737 0.138451016407 TCL: atom 1: phi = 0.0548826996672 TCL: Center of mass = 11.6676907555 -0.831812862704 0.138779891959 TCL: atom 1: phi = 0.0547171556683 TCL: Center of mass = 11.6694454774 -0.832107153031 0.139103980989 TCL: atom 1: phi = 0.0548169091987 TCL: Center of mass = 11.6711791966 -0.832400220055 0.139411820075 TCL: atom 1: phi = 0.0549987874029 TCL: Center of mass = 11.6729043173 -0.832718679842 0.139751938032 TCL: atom 1: phi = 0.0553731962775 TCL: Center of mass = 11.6746133379 -0.833034107566 0.140113452211 TCL: atom 1: phi = 0.0555924578612 TCL: Center of mass = 11.6762990267 -0.833384941774 0.140525413237 TCL: atom 1: phi = 0.0557622761534 TCL: Center of mass = 11.6779615857 -0.833720138971 0.140964796417 TCL: atom 1: phi = 0.055542197798 TCL: Center of mass = 11.6796049196 -0.834037787229 0.141443558277 TCL: atom 1: phi = 0.0551302204759 TCL: Center of mass = 11.6812462695 -0.834308852064 0.141931492898 TCL: atom 1: phi = 0.0542254058368 TCL: Center of mass = 11.6828972565 -0.834545285875 0.14243301602 TCL: atom 1: phi = 0.0531063914445 TCL: Center of mass = 11.6845416952 -0.83471789294 0.142908146523 TCL: atom 1: phi = 0.0516622237101 TCL: Center of mass = 11.6862073155 -0.834832212324 0.143354389428 TCL: atom 1: phi = 0.0501862727687 TCL: Center of mass = 11.6878770003 -0.834883903725 0.143780255745 TCL: atom 1: phi = 0.048505927624 TCL: Center of mass = 11.6895589436 -0.834920581862 0.144200155743 TCL: atom 1: phi = 0.046977395049 TCL: Center of mass = 11.6912564071 -0.834921190797 0.144606735019 TCL: atom 1: phi = 0.0453825026486 TCL: Center of mass = 11.6929925289 -0.834909247569 0.14502637453 TCL: atom 1: phi = 0.0440016027042 TCL: Center of mass = 11.6947504693 -0.834899196206 0.145442454166 TCL: atom 1: phi = 0.042593621079 TCL: Center of mass = 11.6965480432 -0.834891515408 0.145866544161 TCL: atom 1: phi = 0.0413459507801 TCL: Center of mass = 11.6983806937 -0.834878526989 0.146257257206 TCL: atom 1: phi = 0.0401020928024 TCL: Center of mass = 11.7002368315 -0.834898231384 0.146625041324 TCL: atom 1: phi = 0.0391754829848 TCL: Center of mass = 11.7021049834 -0.834925968648 0.146944758053 TCL: atom 1: phi = 0.0384107788772 TCL: Center of mass = 11.703985843 -0.83496133224 0.147203267584 TCL: atom 1: phi = 0.0381752470658 TCL: Center of mass = 11.7058638173 -0.835003380454 0.147425084635 TCL: atom 1: phi = 0.038265467123 TCL: Center of mass = 11.7077589297 -0.835059315196 0.147648618714 TCL: atom 1: phi = 0.0388573903344 TCL: Center of mass = 11.7096294079 -0.835124195588 0.147886981678 TCL: atom 1: phi = 0.0395552834887 TCL: Center of mass = 11.7114880377 -0.835235215938 0.148137910348 TCL: atom 1: phi = 0.040536264002 TCL: Center of mass = 11.713302223 -0.835351436302 0.148420184704 TCL: atom 1: phi = 0.0414620436766 TCL: Center of mass = 11.7150658714 -0.835486938689 0.148729896187 TCL: atom 1: phi = 0.0424731403512 TCL: Center of mass = 11.7167507083 -0.835621646222 0.149056453195 TCL: atom 1: phi = 0.0431962445989 TCL: Center of mass = 11.7183757036 -0.835759391928 0.149388756626 TCL: atom 1: phi = 0.0438489543049 TCL: Center of mass = 11.7199387083 -0.835891216702 0.149691021297 TCL: atom 1: phi = 0.0441617763502 WRITING COORDINATES TO DCD FILE AT STEP 8700 WRITING COORDINATES TO RESTART FILE AT STEP 8700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8700 FINISHED WRITING RESTART VELOCITIES TIMING: 8700 CPU: 463.825, 0.0535319/step Wall: 556.131, 0.0635071/step, 0.199342 hours remaining, 13608 kB of memory in use. ENERGY: 8700 3393.2902 2468.4548 386.2668 45.8350 -44554.0748 4067.4819 0.0000 0.0000 9773.3061 -24419.4399 289.7206 -24275.6524 -24270.0980 289.9160 1231.6261 -1148.5052 125000.0000 -1057.8991 -1057.1592 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8700 TCL: Center of mass = 11.7214607224 -0.836001015765 0.150008819392 TCL: atom 1: phi = 0.0444358200926 TCL: Center of mass = 11.7229627699 -0.83611647674 0.15030967315 TCL: atom 1: phi = 0.0444714121625 TCL: Center of mass = 11.7244424725 -0.836216257735 0.150592280627 TCL: atom 1: phi = 0.044591926261 TCL: Center of mass = 11.7259237363 -0.836303729385 0.150866339718 TCL: atom 1: phi = 0.0445223392735 TCL: Center of mass = 11.7274223771 -0.836368802657 0.151152975312 TCL: atom 1: phi = 0.0444884818989 TCL: Center of mass = 11.7289266935 -0.83642629668 0.151420638133 TCL: atom 1: phi = 0.0443088243732 TCL: Center of mass = 11.7304465412 -0.836462040346 0.151683363769 TCL: atom 1: phi = 0.0441445418871 TCL: Center of mass = 11.7319640486 -0.836512119475 0.151941311579 TCL: atom 1: phi = 0.0438007552119 TCL: Center of mass = 11.7334925696 -0.836575101164 0.152181649657 TCL: atom 1: phi = 0.0435763628633 TCL: Center of mass = 11.7350348167 -0.836627365782 0.15238437714 TCL: atom 1: phi = 0.0432930086004 TCL: Center of mass = 11.7365854572 -0.836700665143 0.152565242723 TCL: atom 1: phi = 0.0432469101345 TCL: Center of mass = 11.7381387394 -0.836809371473 0.152723056187 TCL: atom 1: phi = 0.0431977637881 TCL: Center of mass = 11.7397076093 -0.836931551265 0.152881448393 TCL: atom 1: phi = 0.0435024859352 TCL: Center of mass = 11.7412534772 -0.837073051876 0.153038208532 TCL: atom 1: phi = 0.0438291013316 TCL: Center of mass = 11.742797331 -0.837227272438 0.153210278422 TCL: atom 1: phi = 0.0443031875342 TCL: Center of mass = 11.7443067804 -0.837387250164 0.15339681699 TCL: atom 1: phi = 0.0446215510278 TCL: Center of mass = 11.7457889843 -0.837557988557 0.153586697505 TCL: atom 1: phi = 0.0449249069347 TCL: Center of mass = 11.747219043 -0.837717732184 0.153773292075 TCL: atom 1: phi = 0.0448876145393 TCL: Center of mass = 11.7486058958 -0.837874953392 0.15398889819 TCL: atom 1: phi = 0.0448147168413 TCL: Center of mass = 11.7499399868 -0.838033358573 0.154197031683 TCL: atom 1: phi = 0.0444072352184 TCL: Center of mass = 11.7512137014 -0.838212301102 0.154442164756 TCL: atom 1: phi = 0.043892973772 TCL: Center of mass = 11.7524328702 -0.838392070909 0.154693992916 TCL: atom 1: phi = 0.0430789243623 TCL: Center of mass = 11.7536310214 -0.838585858325 0.154962443205 TCL: atom 1: phi = 0.0422693126453 TCL: Center of mass = 11.7548039691 -0.838765988889 0.155245841446 TCL: atom 1: phi = 0.0413107268213 TCL: Center of mass = 11.7559992491 -0.838931624918 0.155554695035 TCL: atom 1: phi = 0.0404399141478 TCL: Center of mass = 11.75721592 -0.839072562635 0.155873313295 TCL: atom 1: phi = 0.0394865478475 TCL: Center of mass = 11.7584403003 -0.839187057679 0.156211839014 TCL: atom 1: phi = 0.0386822057803 TCL: Center of mass = 11.7596808049 -0.839270863131 0.156548418268 TCL: atom 1: phi = 0.0378161607994 TCL: Center of mass = 11.7609308983 -0.839348163579 0.156881984908 TCL: atom 1: phi = 0.0371416451925 TCL: Center of mass = 11.76217486 -0.83941762446 0.157195727402 TCL: atom 1: phi = 0.0366032957012 TCL: Center of mass = 11.7634377861 -0.839511120338 0.157528680317 TCL: atom 1: phi = 0.0365057186323 TCL: Center of mass = 11.76471519 -0.83961302304 0.157873711111 TCL: atom 1: phi = 0.0366537372254 TCL: Center of mass = 11.7660065294 -0.839738036867 0.158234608358 TCL: atom 1: phi = 0.0373165584617 TCL: Center of mass = 11.7673027942 -0.839876557744 0.158627578417 TCL: atom 1: phi = 0.0382296079528 TCL: Center of mass = 11.7686326999 -0.840036710385 0.159029401193 TCL: atom 1: phi = 0.0395198897441 TCL: Center of mass = 11.769997782 -0.84022347104 0.159437028502 TCL: atom 1: phi = 0.0408979276671 TCL: Center of mass = 11.7713921911 -0.840400757934 0.159856034473 TCL: atom 1: phi = 0.0423943486055 TCL: Center of mass = 11.7728175563 -0.840556346919 0.160254440427 TCL: atom 1: phi = 0.0437745040364 TCL: Center of mass = 11.7742309303 -0.840734360569 0.160613684321 TCL: atom 1: phi = 0.0451153417239 TCL: Center of mass = 11.775601534 -0.840915891821 0.160953062141 TCL: atom 1: phi = 0.046149672944 TCL: Center of mass = 11.7769365039 -0.841113276625 0.161279910579 TCL: atom 1: phi = 0.0471098442138 TCL: Center of mass = 11.7782429162 -0.841301649924 0.161614734672 TCL: atom 1: phi = 0.0477276906651 TCL: Center of mass = 11.7795299024 -0.841500988011 0.16196492177 TCL: atom 1: phi = 0.0482329717203 TCL: Center of mass = 11.7807966253 -0.841711483315 0.162356545591 TCL: atom 1: phi = 0.048360223698 TCL: Center of mass = 11.7820713321 -0.841915543276 0.162766414915 TCL: atom 1: phi = 0.0482969589024 TCL: Center of mass = 11.7833574464 -0.842107764453 0.163165117988 TCL: atom 1: phi = 0.0477955798048 TCL: Center of mass = 11.7846630425 -0.842290890769 0.16354176739 TCL: atom 1: phi = 0.0470830858431 TCL: Center of mass = 11.7859714902 -0.842451784323 0.163900925127 TCL: atom 1: phi = 0.0459369212311 TCL: Center of mass = 11.7872916214 -0.842590201094 0.164226425716 TCL: atom 1: phi = 0.0447391818503 TCL: Center of mass = 11.7885904675 -0.842714906083 0.164542513783 TCL: atom 1: phi = 0.0433409608188 TCL: Center of mass = 11.7898889052 -0.842826426164 0.164853310722 TCL: atom 1: phi = 0.0421036112276 TCL: Center of mass = 11.7911849605 -0.842964341594 0.165201451082 TCL: atom 1: phi = 0.0408989820259 TCL: Center of mass = 11.7924815623 -0.84313086064 0.165572561008 TCL: atom 1: phi = 0.039968010635 TCL: Center of mass = 11.7937949812 -0.843339136502 0.16599377532 TCL: atom 1: phi = 0.039091474667 TCL: Center of mass = 11.7951480105 -0.843578269544 0.16645181841 TCL: atom 1: phi = 0.0384718232187 TCL: Center of mass = 11.7965424988 -0.843851334979 0.166906023004 TCL: atom 1: phi = 0.0378456277693 TCL: Center of mass = 11.7979636043 -0.844150682301 0.167345647396 TCL: atom 1: phi = 0.0373813480794 TCL: Center of mass = 11.7993807897 -0.844449127972 0.167766268079 TCL: atom 1: phi = 0.0368162459006 TCL: Center of mass = 11.8007973623 -0.844740050387 0.168143829808 TCL: atom 1: phi = 0.0363492706546 TCL: Center of mass = 11.8021782018 -0.845018425791 0.168480374807 TCL: atom 1: phi = 0.0357578903204 TCL: Center of mass = 11.8035368496 -0.845292805156 0.168784611814 TCL: atom 1: phi = 0.0352210880168 TCL: Center of mass = 11.8048262725 -0.845578647127 0.169105597974 TCL: atom 1: phi = 0.0346147627005 TCL: Center of mass = 11.8060931921 -0.845869644002 0.169448664748 TCL: atom 1: phi = 0.0340751151359 TCL: Center of mass = 11.8073159344 -0.846152128887 0.169822071742 TCL: atom 1: phi = 0.033389784579 TCL: Center of mass = 11.8085338401 -0.846433178289 0.170236709032 TCL: atom 1: phi = 0.0327482744356 TCL: Center of mass = 11.8097279697 -0.8467110102 0.170684466964 TCL: atom 1: phi = 0.031830006298 TCL: Center of mass = 11.8109107109 -0.846973973912 0.171132250449 TCL: atom 1: phi = 0.0309277409159 TCL: Center of mass = 11.8120890225 -0.847206825902 0.17155773754 TCL: atom 1: phi = 0.0298560338814 TCL: Center of mass = 11.813252216 -0.847413963554 0.171942882793 TCL: atom 1: phi = 0.0288982045529 TCL: Center of mass = 11.8144116808 -0.847598821081 0.172296347439 TCL: atom 1: phi = 0.0279559820647 TCL: Center of mass = 11.8155746293 -0.847767126366 0.172605921864 TCL: atom 1: phi = 0.0273676790952 TCL: Center of mass = 11.8167296984 -0.847931692478 0.1729129443 TCL: atom 1: phi = 0.0269834679563 TCL: Center of mass = 11.817907831 -0.848112446546 0.173217323774 TCL: atom 1: phi = 0.0271318113297 TCL: Center of mass = 11.8191117282 -0.84830087003 0.173557576282 TCL: atom 1: phi = 0.0275677432369 TCL: Center of mass = 11.820363155 -0.848532682139 0.173903355771 TCL: atom 1: phi = 0.028389676472 TCL: Center of mass = 11.8216654588 -0.848772873337 0.174263500386 TCL: atom 1: phi = 0.0292517730833 TCL: Center of mass = 11.8230078316 -0.849034940103 0.174631819958 TCL: atom 1: phi = 0.0302393026348 TCL: Center of mass = 11.8243932306 -0.849302619948 0.174996427001 TCL: atom 1: phi = 0.0310278704753 TCL: Center of mass = 11.8258389476 -0.849583275944 0.175344474078 TCL: atom 1: phi = 0.031837360808 TCL: Center of mass = 11.827346659 -0.849854636798 0.175676787415 TCL: atom 1: phi = 0.0324000045403 TCL: Center of mass = 11.8289033808 -0.850136928435 0.17599237241 TCL: atom 1: phi = 0.0330027206472 TCL: Center of mass = 11.830480171 -0.850409529585 0.17630675763 TCL: atom 1: phi = 0.0333933984995 TCL: Center of mass = 11.8320748197 -0.85068637967 0.176632744912 TCL: atom 1: phi = 0.0338007497371 TCL: Center of mass = 11.8336760351 -0.850982740056 0.176980655582 TCL: atom 1: phi = 0.0339500820792 TCL: Center of mass = 11.8352675679 -0.851316548286 0.177372487961 TCL: atom 1: phi = 0.0340123717011 TCL: Center of mass = 11.8368471104 -0.851628762053 0.177793347018 TCL: atom 1: phi = 0.0337852652056 TCL: Center of mass = 11.8384409852 -0.851956326671 0.178244938929 TCL: atom 1: phi = 0.033374232648 TCL: Center of mass = 11.8400229568 -0.852277734003 0.178714501835 TCL: atom 1: phi = 0.03251069756 TCL: Center of mass = 11.841601159 -0.852596125864 0.179186320751 TCL: atom 1: phi = 0.0315543110578 TCL: Center of mass = 11.8431782228 -0.85289749671 0.179648374805 TCL: atom 1: phi = 0.03032666315 TCL: Center of mass = 11.844763117 -0.853201561216 0.180089241274 TCL: atom 1: phi = 0.0293045128364 TCL: Center of mass = 11.8463488346 -0.853489877742 0.180490436726 TCL: atom 1: phi = 0.0283537627501 TCL: Center of mass = 11.847942142 -0.853773383292 0.180899195896 TCL: atom 1: phi = 0.0278500674405 TCL: Center of mass = 11.8495391023 -0.854052412538 0.181286151845 TCL: atom 1: phi = 0.0275984345282 TCL: Center of mass = 11.8511493385 -0.854318019285 0.18169303374 TCL: atom 1: phi = 0.0278676970649 TCL: Center of mass = 11.8527309501 -0.854557048606 0.182076446971 TCL: atom 1: phi = 0.0282527700237 TCL: Center of mass = 11.8542984518 -0.854784552512 0.182445558328 TCL: atom 1: phi = 0.0289299345719 TCL: Center of mass = 11.8558180524 -0.85498316893 0.182783238838 TCL: atom 1: phi = 0.0295001529209 TCL: Center of mass = 11.8573116507 -0.855192998784 0.18310328081 TCL: atom 1: phi = 0.0302321540665 TCL: Center of mass = 11.8587515655 -0.855411778098 0.183378102068 TCL: atom 1: phi = 0.0308352542871 WRITING COORDINATES TO DCD FILE AT STEP 8800 WRITING COORDINATES TO RESTART FILE AT STEP 8800 FINISHED WRITING RESTART COORDINATES TIMING: 8800 CPU: 469.153, 0.0532719/step Wall: 562.492, 0.0636126/step, 0.197906 hours remaining, 13608 kB of memory in use. ENERGY: 8800 3403.2641 2469.7275 374.5309 45.5342 -44643.4824 4095.3116 0.0000 0.0000 9864.3333 -24390.7809 292.4190 -24244.9660 -24246.8087 290.9983 1265.5148 -1118.8213 125000.0000 -1192.9679 -1189.6019 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8800 WRITING VELOCITIES TO RESTART FILE AT STEP 8800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 11.8601716188 -0.855626693092 0.183635022033 TCL: atom 1: phi = 0.0316240134023 TCL: Center of mass = 11.8615370918 -0.855825555791 0.183863205364 TCL: atom 1: phi = 0.0323773091675 TCL: Center of mass = 11.8628903937 -0.856022563265 0.184074799812 TCL: atom 1: phi = 0.0334177657828 TCL: Center of mass = 11.8642369393 -0.856197326149 0.184256286969 TCL: atom 1: phi = 0.0344083999437 TCL: Center of mass = 11.865586573 -0.856365371888 0.184405851476 TCL: atom 1: phi = 0.0356877024949 TCL: Center of mass = 11.8669192913 -0.856518097438 0.184522187672 TCL: atom 1: phi = 0.0367611270361 TCL: Center of mass = 11.8682366312 -0.856688593838 0.184620562776 TCL: atom 1: phi = 0.037861084684 TCL: Center of mass = 11.8695271305 -0.856851414476 0.18470668079 TCL: atom 1: phi = 0.0385955924097 TCL: Center of mass = 11.8708316281 -0.857047289689 0.18479108797 TCL: atom 1: phi = 0.0392023775822 TCL: Center of mass = 11.8721171998 -0.857258269675 0.18489770889 TCL: atom 1: phi = 0.0394110275074 TCL: Center of mass = 11.8733955527 -0.85752260662 0.185028862543 TCL: atom 1: phi = 0.0396879369225 TCL: Center of mass = 11.8746683288 -0.857790224096 0.185170916825 TCL: atom 1: phi = 0.0398849643902 TCL: Center of mass = 11.8760003634 -0.858085301813 0.185323017588 TCL: atom 1: phi = 0.0403982688776 TCL: Center of mass = 11.8773733764 -0.858367525847 0.185459121517 TCL: atom 1: phi = 0.0410151602523 TCL: Center of mass = 11.8788089656 -0.858667549453 0.185591368184 TCL: atom 1: phi = 0.0420141204387 TCL: Center of mass = 11.8802906549 -0.858961100378 0.185708971984 TCL: atom 1: phi = 0.0430132563543 TCL: Center of mass = 11.8818062518 -0.859258193458 0.18579592902 TCL: atom 1: phi = 0.0441710482559 TCL: Center of mass = 11.8833140801 -0.859528307278 0.185860669959 TCL: atom 1: phi = 0.0450855443975 TCL: Center of mass = 11.8848287778 -0.859787389185 0.185922306234 TCL: atom 1: phi = 0.0459692271942 TCL: Center of mass = 11.8863158471 -0.8600608378 0.18598072755 TCL: atom 1: phi = 0.0465422918851 TCL: Center of mass = 11.8878056305 -0.860356952928 0.18606329187 TCL: atom 1: phi = 0.0470920423687 TCL: Center of mass = 11.8892803075 -0.860662504989 0.186177855931 TCL: atom 1: phi = 0.0474163629708 TCL: Center of mass = 11.8907505057 -0.860995140223 0.186317346897 TCL: atom 1: phi = 0.047944537901 TCL: Center of mass = 11.8922465601 -0.861323170206 0.186456161262 TCL: atom 1: phi = 0.0484016302419 TCL: Center of mass = 11.8937631554 -0.861656105024 0.186614969387 TCL: atom 1: phi = 0.0490272229202 TCL: Center of mass = 11.895293525 -0.861953775306 0.186757654345 TCL: atom 1: phi = 0.0495254474443 TCL: Center of mass = 11.8968332125 -0.862234899722 0.186879945038 TCL: atom 1: phi = 0.0500006773383 TCL: Center of mass = 11.8983818045 -0.862482718679 0.186971707877 TCL: atom 1: phi = 0.0501831172469 TCL: Center of mass = 11.8999141253 -0.862727932748 0.187078643582 TCL: atom 1: phi = 0.0501951205105 TCL: Center of mass = 11.9014037862 -0.86297967876 0.187201012428 TCL: atom 1: phi = 0.0498670679203 TCL: Center of mass = 11.9028957975 -0.863266568202 0.187377131131 TCL: atom 1: phi = 0.0495055507786 TCL: Center of mass = 11.9043850845 -0.863566304118 0.187588925466 TCL: atom 1: phi = 0.0490834632269 TCL: Center of mass = 11.9058835604 -0.863896401736 0.187837991912 TCL: atom 1: phi = 0.0489386927163 TCL: Center of mass = 11.9074092153 -0.864208075875 0.188119161087 TCL: atom 1: phi = 0.0489926237194 TCL: Center of mass = 11.908968435 -0.864539015619 0.188389062592 TCL: atom 1: phi = 0.0495722291822 TCL: Center of mass = 11.9105509454 -0.864840281746 0.188635665403 TCL: atom 1: phi = 0.0504619954224 TCL: Center of mass = 11.9121770202 -0.865112346237 0.188841404111 TCL: atom 1: phi = 0.0517655815574 TCL: Center of mass = 11.9138223933 -0.865339886848 0.188994627031 TCL: atom 1: phi = 0.0530816719052 TCL: Center of mass = 11.9154774892 -0.865556877012 0.189098556099 TCL: atom 1: phi = 0.0544850220721 TCL: Center of mass = 11.9171218702 -0.865756499269 0.189154584193 TCL: atom 1: phi = 0.0556846709155 TCL: Center of mass = 11.9187630771 -0.865990283738 0.189216835618 TCL: atom 1: phi = 0.0569610238768 TCL: Center of mass = 11.9203828293 -0.866245907708 0.189269167351 TCL: atom 1: phi = 0.0581741032369 TCL: Center of mass = 11.9220062137 -0.86653988221 0.189344195344 TCL: atom 1: phi = 0.0595527496997 TCL: Center of mass = 11.9236280365 -0.866862856496 0.189413993829 TCL: atom 1: phi = 0.0609816130333 TCL: Center of mass = 11.9252487552 -0.86721346499 0.189497840878 TCL: atom 1: phi = 0.062637758659 TCL: Center of mass = 11.9268407974 -0.867567328048 0.189546900037 TCL: atom 1: phi = 0.0642330469543 TCL: Center of mass = 11.928415205 -0.867938722828 0.189555870128 TCL: atom 1: phi = 0.0658626034746 TCL: Center of mass = 11.9299404801 -0.868297637329 0.189519413232 TCL: atom 1: phi = 0.0672292947424 TCL: Center of mass = 11.9314247889 -0.868663975566 0.189433591318 TCL: atom 1: phi = 0.0684041968818 TCL: Center of mass = 11.9328738069 -0.869038017783 0.189328973868 TCL: atom 1: phi = 0.0691809591326 TCL: Center of mass = 11.9342968429 -0.869440269057 0.189209053568 TCL: atom 1: phi = 0.069780842652 TCL: Center of mass = 11.9356781478 -0.869865920061 0.189094456882 TCL: atom 1: phi = 0.0701011321945 TCL: Center of mass = 11.937042752 -0.870333059726 0.189033648047 TCL: atom 1: phi = 0.0705761632505 TCL: Center of mass = 11.9383994222 -0.870814538097 0.188988335533 TCL: atom 1: phi = 0.0710883461623 TCL: Center of mass = 11.9397820732 -0.871318042381 0.188961244452 TCL: atom 1: phi = 0.0719257218587 TCL: Center of mass = 11.9411776306 -0.871810455078 0.188962354762 TCL: atom 1: phi = 0.0728883522763 TCL: Center of mass = 11.9426022039 -0.872303228521 0.188967995861 TCL: atom 1: phi = 0.0741382584476 TCL: Center of mass = 11.9440349422 -0.872771226971 0.188952901657 TCL: atom 1: phi = 0.0753480087904 TCL: Center of mass = 11.9454894845 -0.87321913083 0.188904295143 TCL: atom 1: phi = 0.0765979881448 TCL: Center of mass = 11.946935655 -0.873636839025 0.188853037816 TCL: atom 1: phi = 0.0775662079398 TCL: Center of mass = 11.9484087649 -0.874038044926 0.188793199137 TCL: atom 1: phi = 0.078479815071 TCL: Center of mass = 11.9498920338 -0.874416862173 0.188754893516 TCL: atom 1: phi = 0.0791516883419 TCL: Center of mass = 11.9514177236 -0.874775609337 0.188739751269 TCL: atom 1: phi = 0.0798729694461 TCL: Center of mass = 11.9529857648 -0.875113833034 0.188754014773 TCL: atom 1: phi = 0.0805689590876 TCL: Center of mass = 11.9545977531 -0.875461927983 0.188806393939 TCL: atom 1: phi = 0.0814995593385 TCL: Center of mass = 11.9562294829 -0.87579297175 0.188895367112 TCL: atom 1: phi = 0.0824615561263 TCL: Center of mass = 11.9578590167 -0.876137442121 0.188996452445 TCL: atom 1: phi = 0.0835470624959 TCL: Center of mass = 11.9594859792 -0.87648561201 0.189108843924 TCL: atom 1: phi = 0.0844092358805 TCL: Center of mass = 11.9611039656 -0.876833295319 0.18921259123 TCL: atom 1: phi = 0.0851816942285 TCL: Center of mass = 11.9626913747 -0.877169892154 0.18931163318 TCL: atom 1: phi = 0.085545148317 TCL: Center of mass = 11.9642670432 -0.87752050163 0.189419733015 TCL: atom 1: phi = 0.0857705940014 TCL: Center of mass = 11.9658090883 -0.877887198324 0.18953721398 TCL: atom 1: phi = 0.0857382677528 TCL: Center of mass = 11.9673385382 -0.878276905426 0.189667281744 TCL: atom 1: phi = 0.0858011702392 TCL: Center of mass = 11.9688557708 -0.878696478523 0.189808822173 TCL: atom 1: phi = 0.085932653176 TCL: Center of mass = 11.9703364869 -0.879137909913 0.18997706425 TCL: atom 1: phi = 0.0864524338866 TCL: Center of mass = 11.9717864998 -0.879589977997 0.190173293858 TCL: atom 1: phi = 0.0871913672804 TCL: Center of mass = 11.9732011957 -0.880059711465 0.190396652371 TCL: atom 1: phi = 0.088283105537 TCL: Center of mass = 11.9745679986 -0.880554915706 0.190656266934 TCL: atom 1: phi = 0.0894773764246 TCL: Center of mass = 11.9759065864 -0.881076910823 0.190924308069 TCL: atom 1: phi = 0.0909160548022 TCL: Center of mass = 11.9772229336 -0.881608042917 0.191200760337 TCL: atom 1: phi = 0.0922182239445 TCL: Center of mass = 11.9785472087 -0.882132760181 0.191469353964 TCL: atom 1: phi = 0.0935840561695 TCL: Center of mass = 11.9798761544 -0.882637349711 0.19174798152 TCL: atom 1: phi = 0.0947088079157 TCL: Center of mass = 11.9812368624 -0.883121123123 0.19200591369 TCL: atom 1: phi = 0.0959403262434 TCL: Center of mass = 11.9826183889 -0.883563953836 0.192270810026 TCL: atom 1: phi = 0.0970509823366 TCL: Center of mass = 11.9840473253 -0.883985602617 0.192531907884 TCL: atom 1: phi = 0.0983969511059 TCL: Center of mass = 11.9855105238 -0.884356694511 0.19280698706 TCL: atom 1: phi = 0.0996596751625 TCL: Center of mass = 11.9869791615 -0.884687190583 0.193085027916 TCL: atom 1: phi = 0.101168265518 TCL: Center of mass = 11.9884398903 -0.884990839947 0.193376445991 TCL: atom 1: phi = 0.102456042927 TCL: Center of mass = 11.9899086926 -0.885317533692 0.19367651392 TCL: atom 1: phi = 0.103676327986 TCL: Center of mass = 11.9913632782 -0.885652430671 0.193998748314 TCL: atom 1: phi = 0.104526903057 TCL: Center of mass = 11.992835574 -0.885998369438 0.194338725053 TCL: atom 1: phi = 0.105168794146 TCL: Center of mass = 11.9942994455 -0.886358640245 0.194684154545 TCL: atom 1: phi = 0.105399685549 TCL: Center of mass = 11.9957551259 -0.886708946323 0.195020368952 TCL: atom 1: phi = 0.105547276564 TCL: Center of mass = 11.9972012884 -0.88706695035 0.195320742099 TCL: atom 1: phi = 0.105475712734 TCL: Center of mass = 11.99865552 -0.887426779347 0.195575914802 TCL: atom 1: phi = 0.105558717221 TCL: Center of mass = 12.0000946079 -0.887788750822 0.195805424995 TCL: atom 1: phi = 0.105648149666 TCL: Center of mass = 12.0014915224 -0.888169444251 0.196010855465 TCL: atom 1: phi = 0.106004693535 TCL: Center of mass = 12.0028333534 -0.8885553414 0.196197185017 TCL: atom 1: phi = 0.106364577681 TCL: Center of mass = 12.0041335718 -0.888973809095 0.196374845525 TCL: atom 1: phi = 0.106958431321 TCL: Center of mass = 12.0053808219 -0.889433744364 0.196574160186 TCL: atom 1: phi = 0.107375437748 WRITING COORDINATES TO DCD FILE AT STEP 8900 WRITING COORDINATES TO RESTART FILE AT STEP 8900 FINISHED WRITING RESTART COORDINATES TIMING: 8900 CPU: 474.499, 0.0534619/step Wall: 568.873, 0.0638123/step, 0.196755 hours remaining, 13608 kB of memory in use. ENERGY: 8900 3434.8644 2551.1237 380.4428 34.2554 -44647.7840 4060.5348 0.0000 0.0000 9814.5596 -24372.0033 290.9435 -24226.5753 -24226.9541 292.2925 1123.0644 -1092.8716 125000.0000 -981.6080 -979.0872 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8900 WRITING VELOCITIES TO RESTART FILE AT STEP 8900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.0065967908 -0.88995661479 0.196803403717 TCL: atom 1: phi = 0.107806663203 TCL: Center of mass = 12.0077936839 -0.890499489263 0.197043913252 TCL: atom 1: phi = 0.107988888091 TCL: Center of mass = 12.0090215387 -0.89108272724 0.197292307958 TCL: atom 1: phi = 0.108277613739 TCL: Center of mass = 12.0102740075 -0.891663405426 0.197505546731 TCL: atom 1: phi = 0.10849522308 TCL: Center of mass = 12.0115449387 -0.892236146263 0.197673197392 TCL: atom 1: phi = 0.108866302356 TCL: Center of mass = 12.0128500478 -0.892775103425 0.197775720416 TCL: atom 1: phi = 0.109243842949 TCL: Center of mass = 12.014174767 -0.893286500523 0.197833301307 TCL: atom 1: phi = 0.109904253189 TCL: Center of mass = 12.0155232457 -0.893766181532 0.197869273325 TCL: atom 1: phi = 0.110579780187 TCL: Center of mass = 12.0169163107 -0.89422484648 0.197900223154 TCL: atom 1: phi = 0.111353148877 TCL: Center of mass = 12.0183048679 -0.894669034335 0.197970326022 TCL: atom 1: phi = 0.11194426243 TCL: Center of mass = 12.0197043858 -0.895118965514 0.198074605657 TCL: atom 1: phi = 0.112444163451 TCL: Center of mass = 12.0211081235 -0.895600592038 0.198230816663 TCL: atom 1: phi = 0.112690203458 TCL: Center of mass = 12.0225425703 -0.896097332524 0.198453532519 TCL: atom 1: phi = 0.112893071063 TCL: Center of mass = 12.0240159244 -0.896594927857 0.198714234913 TCL: atom 1: phi = 0.112820351845 TCL: Center of mass = 12.0255240762 -0.897089544441 0.198978751059 TCL: atom 1: phi = 0.112809324205 TCL: Center of mass = 12.02705023 -0.89754814685 0.199216846395 TCL: atom 1: phi = 0.112715764865 TCL: Center of mass = 12.0285703843 -0.897954014749 0.199436341551 TCL: atom 1: phi = 0.112834938347 TCL: Center of mass = 12.030072377 -0.898357456902 0.199645509856 TCL: atom 1: phi = 0.113042563903 TCL: Center of mass = 12.0315655296 -0.898746022402 0.199853464459 TCL: atom 1: phi = 0.113500262188 TCL: Center of mass = 12.0330053396 -0.89915568326 0.200054961287 TCL: atom 1: phi = 0.113956664258 TCL: Center of mass = 12.0344088638 -0.899585823223 0.200293345318 TCL: atom 1: phi = 0.114449493837 TCL: Center of mass = 12.0357618576 -0.900041909875 0.200558026444 TCL: atom 1: phi = 0.114747265051 TCL: Center of mass = 12.0370851367 -0.900536088009 0.200873133047 TCL: atom 1: phi = 0.114970935718 TCL: Center of mass = 12.0383913159 -0.901043563176 0.201201672582 TCL: atom 1: phi = 0.114990292432 TCL: Center of mass = 12.0397048306 -0.901545232669 0.201531477715 TCL: atom 1: phi = 0.115018840467 TCL: Center of mass = 12.0409912836 -0.902021937893 0.201833299609 TCL: atom 1: phi = 0.11498028361 TCL: Center of mass = 12.0422962234 -0.90247675105 0.20210774307 TCL: atom 1: phi = 0.115103941281 TCL: Center of mass = 12.0435730532 -0.902887006001 0.202339657085 TCL: atom 1: phi = 0.115232143497 TCL: Center of mass = 12.0448319895 -0.903262934232 0.202569632869 TCL: atom 1: phi = 0.115488722382 TCL: Center of mass = 12.046058209 -0.903614105157 0.202797128084 TCL: atom 1: phi = 0.115654608473 TCL: Center of mass = 12.047274367 -0.903979304253 0.20302576419 TCL: atom 1: phi = 0.115776371586 TCL: Center of mass = 12.0484776679 -0.90435380615 0.203283119942 TCL: atom 1: phi = 0.115707696523 TCL: Center of mass = 12.0496755867 -0.904743514647 0.203542726453 TCL: atom 1: phi = 0.115558464465 TCL: Center of mass = 12.0508784703 -0.905136305546 0.203797399138 TCL: atom 1: phi = 0.115160594085 TCL: Center of mass = 12.0521098625 -0.905540603471 0.204055179537 TCL: atom 1: phi = 0.114677069607 TCL: Center of mass = 12.0533367494 -0.905907410415 0.204320474541 TCL: atom 1: phi = 0.114115987228 TCL: Center of mass = 12.0545738118 -0.906277604856 0.204559664164 TCL: atom 1: phi = 0.113670281531 TCL: Center of mass = 12.0557961116 -0.906621734743 0.204789902306 TCL: atom 1: phi = 0.11323032972 TCL: Center of mass = 12.0570325709 -0.906950656646 0.205003421085 TCL: atom 1: phi = 0.112959846359 TCL: Center of mass = 12.0582464627 -0.907242491727 0.205233521048 TCL: atom 1: phi = 0.112747496982 TCL: Center of mass = 12.0594827891 -0.907540648839 0.20548971328 TCL: atom 1: phi = 0.112735794836 TCL: Center of mass = 12.0607045811 -0.907840068318 0.205762728414 TCL: atom 1: phi = 0.112743688007 TCL: Center of mass = 12.0619355254 -0.908157440054 0.206044929195 TCL: atom 1: phi = 0.112847878572 TCL: Center of mass = 12.0631690471 -0.908472666456 0.206334218943 TCL: atom 1: phi = 0.11291260018 TCL: Center of mass = 12.0644188866 -0.908828173093 0.206622733361 TCL: atom 1: phi = 0.11303256201 TCL: Center of mass = 12.0656642187 -0.909190207797 0.206908457914 TCL: atom 1: phi = 0.113157169241 TCL: Center of mass = 12.0668962387 -0.909585841223 0.207195291949 TCL: atom 1: phi = 0.11340850184 TCL: Center of mass = 12.0681099707 -0.909983137288 0.207478839946 TCL: atom 1: phi = 0.113668517249 TCL: Center of mass = 12.0693174513 -0.910412571229 0.2077393036 TCL: atom 1: phi = 0.11408697917 TCL: Center of mass = 12.0705442892 -0.910879899288 0.207988831186 TCL: atom 1: phi = 0.11449529208 TCL: Center of mass = 12.0717812825 -0.911376795106 0.208248440787 TCL: atom 1: phi = 0.114907362249 TCL: Center of mass = 12.0730187763 -0.911874970853 0.208508637687 TCL: atom 1: phi = 0.115188912731 TCL: Center of mass = 12.0742755248 -0.912408889439 0.208774655875 TCL: atom 1: phi = 0.115293749129 TCL: Center of mass = 12.0755261808 -0.912936589661 0.209038332509 TCL: atom 1: phi = 0.115089886298 TCL: Center of mass = 12.0767550934 -0.913492272703 0.209301286335 TCL: atom 1: phi = 0.114674009105 TCL: Center of mass = 12.077984792 -0.914015593174 0.209559063147 TCL: atom 1: phi = 0.114054261386 TCL: Center of mass = 12.0792077023 -0.914543101829 0.209822384336 TCL: atom 1: phi = 0.113334307364 TCL: Center of mass = 12.0804301343 -0.915052081697 0.210068348879 TCL: atom 1: phi = 0.112513949883 TCL: Center of mass = 12.0816281958 -0.915563647818 0.210323227232 TCL: atom 1: phi = 0.111701912786 TCL: Center of mass = 12.0828296917 -0.916060320936 0.210597840274 TCL: atom 1: phi = 0.110838043644 TCL: Center of mass = 12.084046797 -0.916558549773 0.210884757508 TCL: atom 1: phi = 0.110018642483 TCL: Center of mass = 12.0852964168 -0.917016901716 0.211182111296 TCL: atom 1: phi = 0.109189829863 TCL: Center of mass = 12.0865930257 -0.917454803618 0.21149112794 TCL: atom 1: phi = 0.108406153231 TCL: Center of mass = 12.0879083734 -0.917842370886 0.211802121588 TCL: atom 1: phi = 0.1075945507 TCL: Center of mass = 12.0892356484 -0.918221934975 0.212102441849 TCL: atom 1: phi = 0.106814168491 TCL: Center of mass = 12.0905566622 -0.918564827117 0.212414772763 TCL: atom 1: phi = 0.106029121132 TCL: Center of mass = 12.0918743393 -0.918926038774 0.212749886986 TCL: atom 1: phi = 0.105315982104 TCL: Center of mass = 12.0931778711 -0.919275315327 0.213109685657 TCL: atom 1: phi = 0.104641771529 TCL: Center of mass = 12.0945035847 -0.919662435989 0.213499120556 TCL: atom 1: phi = 0.104231412939 TCL: Center of mass = 12.0958323002 -0.920053862578 0.21390929573 TCL: atom 1: phi = 0.103952131193 TCL: Center of mass = 12.0971903919 -0.920484175558 0.214343705209 TCL: atom 1: phi = 0.103872492311 TCL: Center of mass = 12.0985606907 -0.920927993156 0.214768118857 TCL: atom 1: phi = 0.103880680837 TCL: Center of mass = 12.099965041 -0.921409802419 0.215185403052 TCL: atom 1: phi = 0.104074276693 TCL: Center of mass = 12.1013822435 -0.921880067409 0.215566465756 TCL: atom 1: phi = 0.10424721281 TCL: Center of mass = 12.1028188581 -0.92235577656 0.215905083028 TCL: atom 1: phi = 0.104383986721 TCL: Center of mass = 12.1042321929 -0.922836696272 0.216218562622 TCL: atom 1: phi = 0.104458476349 TCL: Center of mass = 12.1056139853 -0.923329356931 0.216523701842 TCL: atom 1: phi = 0.104504556618 TCL: Center of mass = 12.1069318129 -0.923791382256 0.216816524855 TCL: atom 1: phi = 0.104461684991 TCL: Center of mass = 12.1082491177 -0.924272534269 0.217106198569 TCL: atom 1: phi = 0.10450056544 TCL: Center of mass = 12.10956269 -0.924757380864 0.217389164855 TCL: atom 1: phi = 0.104541078742 TCL: Center of mass = 12.1109031758 -0.925269833664 0.217687078837 TCL: atom 1: phi = 0.10474820856 TCL: Center of mass = 12.1122327564 -0.925779009407 0.217962780961 TCL: atom 1: phi = 0.10508601083 TCL: Center of mass = 12.1135830222 -0.926307326054 0.2182226959 TCL: atom 1: phi = 0.105614817505 TCL: Center of mass = 12.1149177396 -0.926833350046 0.218437953044 TCL: atom 1: phi = 0.106176853114 TCL: Center of mass = 12.1162724713 -0.927357559782 0.218620516304 TCL: atom 1: phi = 0.106803541731 TCL: Center of mass = 12.1175797025 -0.927844998813 0.218757116735 TCL: atom 1: phi = 0.107360221341 TCL: Center of mass = 12.1188844961 -0.92832998511 0.218874904512 TCL: atom 1: phi = 0.107922708009 TCL: Center of mass = 12.1201445783 -0.928784379583 0.218974964554 TCL: atom 1: phi = 0.108436538703 TCL: Center of mass = 12.1214052676 -0.929286095143 0.21908535212 TCL: atom 1: phi = 0.109075842937 TCL: Center of mass = 12.122638876 -0.929789128142 0.219193782227 TCL: atom 1: phi = 0.109783540521 TCL: Center of mass = 12.1239201588 -0.930305400998 0.219328725615 TCL: atom 1: phi = 0.110681535734 TCL: Center of mass = 12.1252249227 -0.930828853998 0.219462343883 TCL: atom 1: phi = 0.111634647955 TCL: Center of mass = 12.1265885828 -0.931364432401 0.219587003324 TCL: atom 1: phi = 0.112745029928 TCL: Center of mass = 12.1279565427 -0.931883040091 0.219681766625 TCL: atom 1: phi = 0.113756253963 TCL: Center of mass = 12.1293536313 -0.932413135614 0.219765412327 TCL: atom 1: phi = 0.114741428822 TCL: Center of mass = 12.130727764 -0.932931781533 0.219838918595 TCL: atom 1: phi = 0.115507080683 TCL: Center of mass = 12.1320917987 -0.933446600369 0.219915175625 TCL: atom 1: phi = 0.116107682581 TCL: Center of mass = 12.1334051229 -0.933931157155 0.219998299704 TCL: atom 1: phi = 0.116361642055 TCL: Center of mass = 12.1346752339 -0.93442917882 0.220124201153 TCL: atom 1: phi = 0.116431678839 TCL: Center of mass = 12.1359027928 -0.934932666427 0.220283071828 TCL: atom 1: phi = 0.116223793572 TIMING: 9000 CPU: 479.843, 0.0534419/step Wall: 575.167, 0.0629415/step, 0.192321 hours remaining, 13608 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 9000 3418.0614 2437.5233 388.4252 39.3053 -44360.3946 3966.1001 0.0000 0.0000 9754.6779 -24356.3015 289.1683 -24209.4026 -24216.3979 291.0162 890.1265 -1420.4326 125000.0000 -1261.5979 -1267.0224 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9000 WRITING COORDINATES TO DCD FILE AT STEP 9000 WRITING COORDINATES TO RESTART FILE AT STEP 9000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.1371542031 -0.935456444285 0.220444129775 TCL: atom 1: phi = 0.115929424005 TCL: Center of mass = 12.1383910019 -0.93594655994 0.220616170646 TCL: atom 1: phi = 0.115479959321 TCL: Center of mass = 12.1396551007 -0.936415338147 0.220775608721 TCL: atom 1: phi = 0.115074974729 TCL: Center of mass = 12.1409188616 -0.936867173066 0.220918268094 TCL: atom 1: phi = 0.114570623309 TCL: Center of mass = 12.142216014 -0.937314130488 0.221040209844 TCL: atom 1: phi = 0.114079015697 TCL: Center of mass = 12.1434934067 -0.937723986686 0.221137567259 TCL: atom 1: phi = 0.113472712352 TCL: Center of mass = 12.1447653866 -0.938117189363 0.221238212724 TCL: atom 1: phi = 0.112805698404 TCL: Center of mass = 12.1459825652 -0.938485905258 0.221333406465 TCL: atom 1: phi = 0.111953204868 TCL: Center of mass = 12.1471891237 -0.938869726224 0.221423868438 TCL: atom 1: phi = 0.111152235269 TCL: Center of mass = 12.1483795604 -0.939241924202 0.221522972005 TCL: atom 1: phi = 0.110293528914 TCL: Center of mass = 12.1495739477 -0.939646002973 0.221639185368 TCL: atom 1: phi = 0.10960668096 TCL: Center of mass = 12.1508047703 -0.940092140334 0.221746639921 TCL: atom 1: phi = 0.108987850816 TCL: Center of mass = 12.1520904904 -0.940559487373 0.221844734387 TCL: atom 1: phi = 0.108687978182 TCL: Center of mass = 12.1534023165 -0.941017841337 0.221941193876 TCL: atom 1: phi = 0.108507169408 TCL: Center of mass = 12.1547597133 -0.941490478839 0.222029652808 TCL: atom 1: phi = 0.108523350689 TCL: Center of mass = 12.1561161356 -0.941977210271 0.222082037169 TCL: atom 1: phi = 0.108517428991 TCL: Center of mass = 12.1574794201 -0.942465379345 0.222121470093 TCL: atom 1: phi = 0.108526109725 TCL: Center of mass = 12.1588042148 -0.942948919093 0.222170227845 TCL: atom 1: phi = 0.108385532935 TCL: Center of mass = 12.1601084708 -0.943453017429 0.22223885716 TCL: atom 1: phi = 0.108204723164 TCL: Center of mass = 12.1613886516 -0.943948219191 0.222318001812 TCL: atom 1: phi = 0.107858820236 TCL: Center of mass = 12.1626601294 -0.944466682263 0.222405810891 TCL: atom 1: phi = 0.107519017572 TCL: Center of mass = 12.1639272329 -0.944980874557 0.222512095896 TCL: atom 1: phi = 0.107107577268 TCL: Center of mass = 12.1652228989 -0.945502405156 0.222644538816 TCL: atom 1: phi = 0.106843253588 TCL: Center of mass = 12.166533677 -0.946009376796 0.222776443679 TCL: atom 1: phi = 0.106649924411 TCL: Center of mass = 12.1678569895 -0.946487066834 0.222896609747 TCL: atom 1: phi = 0.106624024937 TCL: Center of mass = 12.1691781837 -0.946944970914 0.223016674224 TCL: atom 1: phi = 0.106581708163 TCL: Center of mass = 12.1705110168 -0.947389712969 0.223139660865 TCL: atom 1: phi = 0.106606210809 TCL: Center of mass = 12.1718092334 -0.947808484132 0.223271593619 TCL: atom 1: phi = 0.106479232205 TCL: Center of mass = 12.1730955962 -0.948226669508 0.223407829772 TCL: atom 1: phi = 0.106339628934 TCL: Center of mass = 12.1743388939 -0.948632767012 0.223554363566 TCL: atom 1: phi = 0.106064193263 TCL: Center of mass = 12.1755725495 -0.949034923292 0.223693442428 TCL: atom 1: phi = 0.105930440502 TCL: Center of mass = 12.1767835386 -0.949416540407 0.223836162777 TCL: atom 1: phi = 0.105926495614 TCL: Center of mass = 12.1779924792 -0.949809254924 0.223961856327 TCL: atom 1: phi = 0.106287322726 TCL: Center of mass = 12.1792012059 -0.950186160355 0.224079790838 TCL: atom 1: phi = 0.106870304964 TCL: Center of mass = 12.1804426286 -0.950566571001 0.224212554562 TCL: atom 1: phi = 0.107752653193 TCL: Center of mass = 12.1816871365 -0.950944378307 0.224339682346 TCL: atom 1: phi = 0.108681663778 TCL: Center of mass = 12.1829485084 -0.951349687068 0.224459433323 TCL: atom 1: phi = 0.109712432133 TCL: Center of mass = 12.1841856316 -0.951738707428 0.224591999984 TCL: atom 1: phi = 0.110580187348 TCL: Center of mass = 12.1854335151 -0.952148511243 0.224723426968 TCL: atom 1: phi = 0.111385962912 TCL: Center of mass = 12.1866836438 -0.952564365496 0.224867839121 TCL: atom 1: phi = 0.112009529783 TCL: Center of mass = 12.1879469935 -0.952979591948 0.225007785926 TCL: atom 1: phi = 0.112530894973 TCL: Center of mass = 12.1892146661 -0.953394781045 0.225128165932 TCL: atom 1: phi = 0.112902546406 TCL: Center of mass = 12.1904791843 -0.953824962755 0.225240379946 TCL: atom 1: phi = 0.113346396217 TCL: Center of mass = 12.1917253274 -0.954258494388 0.225339904819 TCL: atom 1: phi = 0.11378117381 TCL: Center of mass = 12.1929902172 -0.954719672824 0.225427043745 TCL: atom 1: phi = 0.114271780962 TCL: Center of mass = 12.1942515103 -0.955189548497 0.225505374196 TCL: atom 1: phi = 0.114711127983 TCL: Center of mass = 12.1955131826 -0.955690111117 0.225587821948 TCL: atom 1: phi = 0.115150307419 TCL: Center of mass = 12.1967631694 -0.95618897682 0.225669318912 TCL: atom 1: phi = 0.115383178978 TCL: Center of mass = 12.1980252215 -0.956706824744 0.225760288229 TCL: atom 1: phi = 0.115496341895 TCL: Center of mass = 12.1992687881 -0.957218160083 0.225835223898 TCL: atom 1: phi = 0.115322226906 TCL: Center of mass = 12.2005453252 -0.957714802664 0.225917492302 TCL: atom 1: phi = 0.115107212006 TCL: Center of mass = 12.2018187902 -0.958173153839 0.225991052435 TCL: atom 1: phi = 0.114816920952 TCL: Center of mass = 12.2031003569 -0.958618225911 0.226060302755 TCL: atom 1: phi = 0.114811491274 TCL: Center of mass = 12.2043816126 -0.95903123592 0.226110480974 TCL: atom 1: phi = 0.114918281356 TCL: Center of mass = 12.205661752 -0.959439303955 0.226177606627 TCL: atom 1: phi = 0.115422830655 TCL: Center of mass = 12.2069449281 -0.959849351164 0.226253353893 TCL: atom 1: phi = 0.116057982112 TCL: Center of mass = 12.2082178015 -0.960269470351 0.226344734775 TCL: atom 1: phi = 0.116828492855 TCL: Center of mass = 12.209483565 -0.960678394126 0.22646641719 TCL: atom 1: phi = 0.117453091648 TCL: Center of mass = 12.2107546938 -0.961086373375 0.226637585284 TCL: atom 1: phi = 0.117922794326 TCL: Center of mass = 12.2120302616 -0.961509875461 0.226819885745 TCL: atom 1: phi = 0.118046010349 TCL: Center of mass = 12.2133255053 -0.961960323427 0.227025980093 TCL: atom 1: phi = 0.118046214638 TCL: Center of mass = 12.2146205537 -0.962440316596 0.227230881213 TCL: atom 1: phi = 0.117794724475 TCL: Center of mass = 12.215917031 -0.962936675681 0.227434026661 TCL: atom 1: phi = 0.117668141317 TCL: Center of mass = 12.2171767514 -0.963413344285 0.227596006158 TCL: atom 1: phi = 0.117535208622 TCL: Center of mass = 12.2184115277 -0.96389621359 0.227744820382 TCL: atom 1: phi = 0.11762292651 TCL: Center of mass = 12.2196132629 -0.96439089359 0.227832769473 TCL: atom 1: phi = 0.117782541558 TCL: Center of mass = 12.2207987138 -0.96491960958 0.227899816424 TCL: atom 1: phi = 0.118086943249 TCL: Center of mass = 12.2219447583 -0.965464997404 0.227938772688 TCL: atom 1: phi = 0.118254076482 TCL: Center of mass = 12.223085502 -0.966039001746 0.227962469662 TCL: atom 1: phi = 0.118394227901 TCL: Center of mass = 12.224243525 -0.966629282004 0.227955752139 TCL: atom 1: phi = 0.118268126417 TCL: Center of mass = 12.2254552594 -0.967231786921 0.227918244575 TCL: atom 1: phi = 0.118159077083 TCL: Center of mass = 12.2266850029 -0.96784522234 0.227821032425 TCL: atom 1: phi = 0.117983007534 TCL: Center of mass = 12.2279507998 -0.968449265294 0.22767234149 TCL: atom 1: phi = 0.118028048185 TCL: Center of mass = 12.2292242508 -0.969017402214 0.227469291164 TCL: atom 1: phi = 0.118267065838 TCL: Center of mass = 12.2304944935 -0.969578903514 0.227253084415 TCL: atom 1: phi = 0.118914233247 TCL: Center of mass = 12.2317372503 -0.970106819803 0.227023578609 TCL: atom 1: phi = 0.119710097036 TCL: Center of mass = 12.2329500565 -0.970632394247 0.226798240126 TCL: atom 1: phi = 0.120762102319 TCL: Center of mass = 12.2341220544 -0.971146488406 0.226589940838 TCL: atom 1: phi = 0.121641297206 TCL: Center of mass = 12.2352879356 -0.971657412104 0.226409639743 TCL: atom 1: phi = 0.122486135191 TCL: Center of mass = 12.2364563862 -0.972140266068 0.226248145529 TCL: atom 1: phi = 0.122968866823 TCL: Center of mass = 12.2376850495 -0.972592647971 0.226118936828 TCL: atom 1: phi = 0.123328908717 TCL: Center of mass = 12.2389751114 -0.973034537896 0.226007131503 TCL: atom 1: phi = 0.123332699262 TCL: Center of mass = 12.2403292059 -0.97346562069 0.225914634227 TCL: atom 1: phi = 0.123343542039 TCL: Center of mass = 12.2416903312 -0.973874710943 0.225831294825 TCL: atom 1: phi = 0.123223274561 TCL: Center of mass = 12.2430667332 -0.974249851096 0.225777998334 TCL: atom 1: phi = 0.123293724302 TCL: Center of mass = 12.2444113756 -0.974598894313 0.225759466957 TCL: atom 1: phi = 0.123295358552 TCL: Center of mass = 12.2457343266 -0.974940796886 0.225775549751 TCL: atom 1: phi = 0.123483688105 TCL: Center of mass = 12.2470161966 -0.9752710182 0.225845376737 TCL: atom 1: phi = 0.123513373377 TCL: Center of mass = 12.248265623 -0.975630574223 0.225955209461 TCL: atom 1: phi = 0.123551554741 TCL: Center of mass = 12.2494814441 -0.976012411425 0.226083299944 TCL: atom 1: phi = 0.123283978133 TCL: Center of mass = 12.2507265945 -0.97643476528 0.226211948876 TCL: atom 1: phi = 0.122993272025 TCL: Center of mass = 12.25199566 -0.976864075317 0.226331110888 TCL: atom 1: phi = 0.122555065104 TCL: Center of mass = 12.2532975996 -0.977295633991 0.226418421626 TCL: atom 1: phi = 0.122232969199 TCL: Center of mass = 12.2546029799 -0.977711538507 0.226461941085 TCL: atom 1: phi = 0.122070272257 TCL: Center of mass = 12.2559177805 -0.978119505055 0.226477986424 TCL: atom 1: phi = 0.122352304669 TCL: Center of mass = 12.257183636 -0.978514167584 0.226455470261 TCL: atom 1: phi = 0.122905362818 TCL: Center of mass = 12.2583923361 -0.978916286064 0.226417795722 TCL: atom 1: phi = 0.123920265811 TCL: Center of mass = 12.2595405707 -0.97932425571 0.226343996922 TCL: atom 1: phi = 0.125044048118 TCL: Center of mass = 12.260635098 -0.979785349439 0.226254429482 TCL: atom 1: phi = 0.126336179528 TCL: Center of mass = 12.2616789081 -0.980260416332 0.226128444241 TCL: atom 1: phi = 0.127413308174 WRITING COORDINATES TO DCD FILE AT STEP 9100 WRITING COORDINATES TO RESTART FILE AT STEP 9100 FINISHED WRITING RESTART COORDINATES TIMING: 9100 CPU: 485.193, 0.0535019/step Wall: 581.492, 0.0632445/step, 0.19149 hours remaining, 13608 kB of memory in use. ENERGY: 9100 3367.0758 2477.0146 388.1588 36.3387 -44626.6148 4096.8090 0.0000 0.0000 9878.3300 -24382.8879 292.8339 -24238.9626 -24234.5941 291.7989 1290.0897 -1245.6556 125000.0000 -1237.9045 -1235.5807 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9100 WRITING VELOCITIES TO RESTART FILE AT STEP 9100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.2627161585 -0.980748859543 0.225993291371 TCL: atom 1: phi = 0.128449207136 TCL: Center of mass = 12.2637485887 -0.981232337774 0.225829895992 TCL: atom 1: phi = 0.129182547577 TCL: Center of mass = 12.2648022134 -0.981724084707 0.225626789279 TCL: atom 1: phi = 0.129932699197 TCL: Center of mass = 12.2658929288 -0.982201520478 0.225377728301 TCL: atom 1: phi = 0.130540742257 TCL: Center of mass = 12.2670268467 -0.982686647498 0.22513468638 TCL: atom 1: phi = 0.131266321183 TCL: Center of mass = 12.2681421531 -0.983138035914 0.224907183986 TCL: atom 1: phi = 0.131984257386 TCL: Center of mass = 12.2692578145 -0.983590840386 0.224708223958 TCL: atom 1: phi = 0.132787179972 TCL: Center of mass = 12.270360736 -0.984026162941 0.224544779301 TCL: atom 1: phi = 0.133512083198 TCL: Center of mass = 12.2714640806 -0.984458479338 0.224414874867 TCL: atom 1: phi = 0.134229823113 TCL: Center of mass = 12.2725317612 -0.984875909418 0.224330437655 TCL: atom 1: phi = 0.134735835321 TCL: Center of mass = 12.2736155102 -0.985293701929 0.22426469213 TCL: atom 1: phi = 0.135086260691 TCL: Center of mass = 12.2746994804 -0.985705248151 0.224202326299 TCL: atom 1: phi = 0.135163840122 TCL: Center of mass = 12.2758020649 -0.986108885517 0.224160962914 TCL: atom 1: phi = 0.135339594678 TCL: Center of mass = 12.2768947313 -0.986450019583 0.224095236702 TCL: atom 1: phi = 0.135452650604 TCL: Center of mass = 12.2779942852 -0.986790005251 0.224035895958 TCL: atom 1: phi = 0.135838536069 TCL: Center of mass = 12.2790734905 -0.98709481645 0.2239722026 TCL: atom 1: phi = 0.136301538756 TCL: Center of mass = 12.2801835727 -0.98738481206 0.223920615664 TCL: atom 1: phi = 0.137117349862 TCL: Center of mass = 12.2812893838 -0.987636115006 0.223875036562 TCL: atom 1: phi = 0.137977524386 TCL: Center of mass = 12.2823757711 -0.987887604966 0.223828214567 TCL: atom 1: phi = 0.138926258845 TCL: Center of mass = 12.2834386966 -0.988140899152 0.223764577109 TCL: atom 1: phi = 0.139641724103 TCL: Center of mass = 12.2844724536 -0.988414205226 0.223669092576 TCL: atom 1: phi = 0.140213091783 TCL: Center of mass = 12.285502787 -0.988705069432 0.223524667218 TCL: atom 1: phi = 0.140389842779 TCL: Center of mass = 12.286527321 -0.989000706441 0.223361022459 TCL: atom 1: phi = 0.140396649347 TCL: Center of mass = 12.2875397941 -0.98927733094 0.223154306496 TCL: atom 1: phi = 0.140100332832 TCL: Center of mass = 12.2885782386 -0.989577094908 0.222938289046 TCL: atom 1: phi = 0.139854033515 TCL: Center of mass = 12.2896416519 -0.989851151071 0.222710371519 TCL: atom 1: phi = 0.139505190911 TCL: Center of mass = 12.290733616 -0.990135701417 0.222506218657 TCL: atom 1: phi = 0.139340059059 TCL: Center of mass = 12.2918474215 -0.990409223643 0.222291940576 TCL: atom 1: phi = 0.139127888272 TCL: Center of mass = 12.2930128418 -0.990699011966 0.222085725295 TCL: atom 1: phi = 0.139078335388 TCL: Center of mass = 12.294204996 -0.990969657728 0.221893010545 TCL: atom 1: phi = 0.138871140146 TCL: Center of mass = 12.2954207587 -0.991255071744 0.22169197084 TCL: atom 1: phi = 0.138671255295 TCL: Center of mass = 12.296645002 -0.991520516054 0.221485240242 TCL: atom 1: phi = 0.138324461876 TCL: Center of mass = 12.2978552322 -0.991783014562 0.22128695724 TCL: atom 1: phi = 0.13810114626 TCL: Center of mass = 12.2990373441 -0.992031494085 0.221089088941 TCL: atom 1: phi = 0.13792967762 TCL: Center of mass = 12.3002209619 -0.992276585678 0.220900202161 TCL: atom 1: phi = 0.138109924509 TCL: Center of mass = 12.3013936533 -0.992470101785 0.220717939227 TCL: atom 1: phi = 0.138531689605 TCL: Center of mass = 12.3025812995 -0.992663958678 0.220548321127 TCL: atom 1: phi = 0.139401489222 TCL: Center of mass = 12.3037616553 -0.992837838751 0.22037389393 TCL: atom 1: phi = 0.140475662995 TCL: Center of mass = 12.3049342061 -0.993013956836 0.220240615044 TCL: atom 1: phi = 0.141804448781 TCL: Center of mass = 12.306094909 -0.993163190287 0.220101134365 TCL: atom 1: phi = 0.143038643719 TCL: Center of mass = 12.3072512599 -0.993313457338 0.219950955791 TCL: atom 1: phi = 0.144295920309 TCL: Center of mass = 12.3083406231 -0.993443340629 0.219757099708 TCL: atom 1: phi = 0.145179147602 TCL: Center of mass = 12.30939027 -0.993573054384 0.219534719088 TCL: atom 1: phi = 0.145967954006 TCL: Center of mass = 12.3103911139 -0.993678871524 0.219295705206 TCL: atom 1: phi = 0.146467004868 TCL: Center of mass = 12.3113528874 -0.993781483705 0.219049788739 TCL: atom 1: phi = 0.146925348312 TCL: Center of mass = 12.3122610956 -0.993866753767 0.21878647898 TCL: atom 1: phi = 0.147172128259 TCL: Center of mass = 12.3131712925 -0.99397577354 0.218529627021 TCL: atom 1: phi = 0.147470095583 TCL: Center of mass = 12.314101133 -0.994108805051 0.218284186891 TCL: atom 1: phi = 0.147656986967 TCL: Center of mass = 12.3150775515 -0.994279722391 0.218031722435 TCL: atom 1: phi = 0.147929477693 TCL: Center of mass = 12.3160789056 -0.994433790787 0.21774565201 TCL: atom 1: phi = 0.14800220954 TCL: Center of mass = 12.3171532288 -0.994611870168 0.217441381945 TCL: atom 1: phi = 0.148044827877 TCL: Center of mass = 12.3182692672 -0.994763950282 0.217083973302 TCL: atom 1: phi = 0.147799488185 TCL: Center of mass = 12.3194002563 -0.994900625772 0.21670105416 TCL: atom 1: phi = 0.147516584072 TCL: Center of mass = 12.3205169758 -0.995003384224 0.216284916582 TCL: atom 1: phi = 0.147187182927 TCL: Center of mass = 12.3216515475 -0.995092115858 0.215875259094 TCL: atom 1: phi = 0.147182207918 TCL: Center of mass = 12.3227575569 -0.9951437634 0.21547536645 TCL: atom 1: phi = 0.147404461057 TCL: Center of mass = 12.3238677574 -0.995173112956 0.215106686833 TCL: atom 1: phi = 0.148134558915 TCL: Center of mass = 12.3249938101 -0.995175005436 0.214758741716 TCL: atom 1: phi = 0.149186121838 TCL: Center of mass = 12.3261824912 -0.995145457064 0.214414270292 TCL: atom 1: phi = 0.150628676559 TCL: Center of mass = 12.3274028484 -0.995057173648 0.21408998873 TCL: atom 1: phi = 0.152085473828 TCL: Center of mass = 12.328676143 -0.994936839028 0.213767962035 TCL: atom 1: phi = 0.153607453759 TCL: Center of mass = 12.329966114 -0.994769253699 0.213416065191 TCL: atom 1: phi = 0.154942526564 TCL: Center of mass = 12.3313069856 -0.994573009487 0.213040970432 TCL: atom 1: phi = 0.156222034874 TCL: Center of mass = 12.3326010565 -0.994333711737 0.212669489806 TCL: atom 1: phi = 0.157299084024 TCL: Center of mass = 12.3338337474 -0.994072734772 0.212308366743 TCL: atom 1: phi = 0.158381545083 TCL: Center of mass = 12.3349714884 -0.993769547648 0.211978934987 TCL: atom 1: phi = 0.159366758805 TCL: Center of mass = 12.336054756 -0.993477400516 0.211695881914 TCL: atom 1: phi = 0.160523212938 TCL: Center of mass = 12.337108867 -0.993189094224 0.211441506478 TCL: atom 1: phi = 0.16166845905 TCL: Center of mass = 12.338175203 -0.992903242972 0.211222070661 TCL: atom 1: phi = 0.162937662629 TCL: Center of mass = 12.3392587062 -0.992614054547 0.210998639853 TCL: atom 1: phi = 0.164043862329 TCL: Center of mass = 12.3403949922 -0.992359181431 0.210782850418 TCL: atom 1: phi = 0.165103715543 TCL: Center of mass = 12.3415596026 -0.992114355012 0.21055771833 TCL: atom 1: phi = 0.165899266224 TCL: Center of mass = 12.3427514124 -0.991868614814 0.21031155182 TCL: atom 1: phi = 0.166610229557 TCL: Center of mass = 12.3439052354 -0.991621600322 0.210042260646 TCL: atom 1: phi = 0.167177916694 TCL: Center of mass = 12.3450201674 -0.991363339297 0.209765630296 TCL: atom 1: phi = 0.167852673671 TCL: Center of mass = 12.3460626897 -0.99111226633 0.209497492249 TCL: atom 1: phi = 0.168560935335 TCL: Center of mass = 12.3470735158 -0.990860596317 0.209248411985 TCL: atom 1: phi = 0.169580911801 TCL: Center of mass = 12.3480466852 -0.990613160748 0.209001331694 TCL: atom 1: phi = 0.170723129283 TCL: Center of mass = 12.3490359543 -0.990385868402 0.208768302073 TCL: atom 1: phi = 0.172079442495 TCL: Center of mass = 12.3500379736 -0.990142017145 0.208520640315 TCL: atom 1: phi = 0.173302378749 TCL: Center of mass = 12.3510780131 -0.989886563003 0.208237511414 TCL: atom 1: phi = 0.174487525797 TCL: Center of mass = 12.3521473646 -0.989612293832 0.207929074527 TCL: atom 1: phi = 0.175234945249 TCL: Center of mass = 12.3532294433 -0.989297899737 0.207601547692 TCL: atom 1: phi = 0.175661305077 TCL: Center of mass = 12.354276863 -0.988955905093 0.207247217359 TCL: atom 1: phi = 0.175627439647 TCL: Center of mass = 12.3553260386 -0.988594670531 0.206891516592 TCL: atom 1: phi = 0.175395192035 TCL: Center of mass = 12.3563204704 -0.988209744231 0.206546542769 TCL: atom 1: phi = 0.174869659601 TCL: Center of mass = 12.357266995 -0.987843445956 0.206215209036 TCL: atom 1: phi = 0.174247726188 TCL: Center of mass = 12.3581705338 -0.987512377291 0.205906669057 TCL: atom 1: phi = 0.173477424981 TCL: Center of mass = 12.3590457297 -0.987227489083 0.205625376057 TCL: atom 1: phi = 0.172634740327 TCL: Center of mass = 12.3599223497 -0.986971248983 0.205351025539 TCL: atom 1: phi = 0.171566985324 TCL: Center of mass = 12.3608297178 -0.986752979838 0.205069569146 TCL: atom 1: phi = 0.170374197372 TCL: Center of mass = 12.3617503362 -0.986560473191 0.204785404261 TCL: atom 1: phi = 0.168835900611 TCL: Center of mass = 12.3627092364 -0.986398538539 0.20449821623 TCL: atom 1: phi = 0.167145566431 TCL: Center of mass = 12.3637092705 -0.986263008364 0.204196346514 TCL: atom 1: phi = 0.165287585261 TCL: Center of mass = 12.3647221432 -0.986162150523 0.203891529101 TCL: atom 1: phi = 0.163559664824 TCL: Center of mass = 12.3657490068 -0.986090364026 0.203625285308 TCL: atom 1: phi = 0.161987081084 TCL: Center of mass = 12.3668003899 -0.986056106977 0.20339212273 TCL: atom 1: phi = 0.160918268244 TCL: Center of mass = 12.3678326796 -0.986062364582 0.203204567719 TCL: atom 1: phi = 0.160187976629 TCL: Center of mass = 12.368848187 -0.986102105654 0.20305625047 TCL: atom 1: phi = 0.159988560374 TCL: Center of mass = 12.3698791195 -0.986160228919 0.202937693073 TCL: atom 1: phi = 0.160150527845 TIMING: 9200 CPU: 490.542, 0.0534919/step Wall: 587.775, 0.0628326/step, 0.188498 hours remaining, 13608 kB of memory in use. ENERGY: 9200 3424.7078 2473.6702 371.0528 39.8229 -44587.5374 4154.2433 0.0000 0.0000 9760.9098 -24363.1305 289.3531 -24216.6756 -24222.0555 291.2026 1373.1385 -1053.1311 125000.0000 -968.5576 -971.7506 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9200 WRITING COORDINATES TO DCD FILE AT STEP 9200 WRITING COORDINATES TO RESTART FILE AT STEP 9200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.370940599 -0.986228587728 0.202842069346 TCL: atom 1: phi = 0.160623310789 TCL: Center of mass = 12.3720230304 -0.986310493673 0.202727307114 TCL: atom 1: phi = 0.161141924455 TCL: Center of mass = 12.373140782 -0.986393028112 0.202616385734 TCL: atom 1: phi = 0.161733196429 TCL: Center of mass = 12.3742705744 -0.986458393832 0.202507214164 TCL: atom 1: phi = 0.16218615878 TCL: Center of mass = 12.3754370525 -0.986540430678 0.202393786845 TCL: atom 1: phi = 0.162671493408 TCL: Center of mass = 12.3765903594 -0.986607108561 0.202281470701 TCL: atom 1: phi = 0.163019340913 TCL: Center of mass = 12.3777399554 -0.986688670725 0.202185330758 TCL: atom 1: phi = 0.163424396134 TCL: Center of mass = 12.3788645341 -0.986784940273 0.202099583786 TCL: atom 1: phi = 0.163671027949 TCL: Center of mass = 12.379987036 -0.986911774345 0.201993397003 TCL: atom 1: phi = 0.163930788978 TCL: Center of mass = 12.3810822045 -0.987060329223 0.2018690123 TCL: atom 1: phi = 0.163965857942 TCL: Center of mass = 12.3821703937 -0.9872324904 0.201710839596 TCL: atom 1: phi = 0.163877116723 TCL: Center of mass = 12.3832323646 -0.987392417618 0.201526490532 TCL: atom 1: phi = 0.163392315981 TCL: Center of mass = 12.384279195 -0.987579760292 0.201349375978 TCL: atom 1: phi = 0.16272105942 TCL: Center of mass = 12.385318585 -0.987768988872 0.201162403601 TCL: atom 1: phi = 0.161665006188 TCL: Center of mass = 12.3863544521 -0.987977753301 0.201001630858 TCL: atom 1: phi = 0.160591424343 TCL: Center of mass = 12.3874033679 -0.988189871665 0.200869008922 TCL: atom 1: phi = 0.159405851505 TCL: Center of mass = 12.3884746391 -0.988430178978 0.200774582872 TCL: atom 1: phi = 0.158512810307 TCL: Center of mass = 12.3895628331 -0.98867055862 0.200727793682 TCL: atom 1: phi = 0.157796718448 TCL: Center of mass = 12.3906867001 -0.988939873271 0.200711724699 TCL: atom 1: phi = 0.157449808885 TCL: Center of mass = 12.3918498808 -0.989223269387 0.200699078047 TCL: atom 1: phi = 0.157195068125 TCL: Center of mass = 12.3930626439 -0.989523422426 0.20071606962 TCL: atom 1: phi = 0.157112573169 TCL: Center of mass = 12.3942719736 -0.989839268171 0.200749774418 TCL: atom 1: phi = 0.156881157421 TCL: Center of mass = 12.3954964804 -0.990187877482 0.200813775577 TCL: atom 1: phi = 0.156588279083 TCL: Center of mass = 12.3967226739 -0.990564325506 0.200902824249 TCL: atom 1: phi = 0.156043415498 TCL: Center of mass = 12.3979675173 -0.990959957666 0.201022003966 TCL: atom 1: phi = 0.155491353908 TCL: Center of mass = 12.3992162706 -0.991385721518 0.201197029911 TCL: atom 1: phi = 0.154742095652 TCL: Center of mass = 12.4005326307 -0.99181137762 0.201440189745 TCL: atom 1: phi = 0.154181615943 TCL: Center of mass = 12.4018632586 -0.992226006957 0.201729287785 TCL: atom 1: phi = 0.153550328861 TCL: Center of mass = 12.40321758 -0.992641355715 0.202037298686 TCL: atom 1: phi = 0.153136963977 TCL: Center of mass = 12.4045501207 -0.993042086017 0.202354873426 TCL: atom 1: phi = 0.152612348037 TCL: Center of mass = 12.4058712365 -0.993447617024 0.202646224083 TCL: atom 1: phi = 0.152193560781 TCL: Center of mass = 12.4071199353 -0.993859599015 0.20291928813 TCL: atom 1: phi = 0.151550658511 TCL: Center of mass = 12.4083384698 -0.994284844995 0.20317920945 TCL: atom 1: phi = 0.150910661928 TCL: Center of mass = 12.4094679143 -0.994720876391 0.203438304937 TCL: atom 1: phi = 0.150040589038 TCL: Center of mass = 12.4105747288 -0.995187636635 0.203719598589 TCL: atom 1: phi = 0.149289742833 TCL: Center of mass = 12.4116312502 -0.995674099054 0.203995432936 TCL: atom 1: phi = 0.148571881148 TCL: Center of mass = 12.4126908913 -0.996172940413 0.204274115004 TCL: atom 1: phi = 0.148275302968 TCL: Center of mass = 12.4137660231 -0.996651169811 0.204562351853 TCL: atom 1: phi = 0.148238326609 TCL: Center of mass = 12.4148706969 -0.997122415109 0.204845881835 TCL: atom 1: phi = 0.148779268072 TCL: Center of mass = 12.4159890973 -0.997587821271 0.205136183206 TCL: atom 1: phi = 0.149550354606 TCL: Center of mass = 12.417124723 -0.998048781159 0.205392501002 TCL: atom 1: phi = 0.150704356799 TCL: Center of mass = 12.418264165 -0.998474290768 0.205613198439 TCL: atom 1: phi = 0.151794870786 TCL: Center of mass = 12.4193939042 -0.998891684361 0.205812776295 TCL: atom 1: phi = 0.153007876894 TCL: Center of mass = 12.4204949909 -0.999299753796 0.206013170797 TCL: atom 1: phi = 0.153983822023 TCL: Center of mass = 12.4215843305 -0.999725367233 0.206239726811 TCL: atom 1: phi = 0.154996961191 TCL: Center of mass = 12.4226826881 -1.00015319236 0.206498904042 TCL: atom 1: phi = 0.155813286403 TCL: Center of mass = 12.4238159078 -1.00060589894 0.206792246787 TCL: atom 1: phi = 0.156660648467 TCL: Center of mass = 12.4249938094 -1.00108299874 0.207105810991 TCL: atom 1: phi = 0.157274160223 TCL: Center of mass = 12.4262352019 -1.00158394495 0.207414479566 TCL: atom 1: phi = 0.157927030857 TCL: Center of mass = 12.4275180347 -1.0020686067 0.207731486815 TCL: atom 1: phi = 0.158291728454 TCL: Center of mass = 12.4288459753 -1.0025532349 0.208019060658 TCL: atom 1: phi = 0.158526364157 TCL: Center of mass = 12.4301553542 -1.00301426252 0.208288351734 TCL: atom 1: phi = 0.158272389612 TCL: Center of mass = 12.4314411755 -1.00345764969 0.208530969831 TCL: atom 1: phi = 0.157769156769 TCL: Center of mass = 12.4326506305 -1.00386674547 0.208786391513 TCL: atom 1: phi = 0.156677932395 TCL: Center of mass = 12.4337946025 -1.0042827151 0.209055062627 TCL: atom 1: phi = 0.155445374111 TCL: Center of mass = 12.4348707416 -1.00469813537 0.209333817916 TCL: atom 1: phi = 0.153843074408 TCL: Center of mass = 12.4359237019 -1.00514667916 0.209622645413 TCL: atom 1: phi = 0.152348812794 TCL: Center of mass = 12.4369845508 -1.00559234263 0.20991715205 TCL: atom 1: phi = 0.150846607859 TCL: Center of mass = 12.4380911894 -1.00604386327 0.21020812372 TCL: atom 1: phi = 0.149732794502 TCL: Center of mass = 12.4392425685 -1.00647172933 0.210507077282 TCL: atom 1: phi = 0.148642572383 TCL: Center of mass = 12.4404436618 -1.00686295791 0.210801307578 TCL: atom 1: phi = 0.147790574375 TCL: Center of mass = 12.4416320477 -1.00720305276 0.211091663417 TCL: atom 1: phi = 0.146845239192 TCL: Center of mass = 12.4428132126 -1.00752205181 0.211393157016 TCL: atom 1: phi = 0.14602835837 TCL: Center of mass = 12.443961189 -1.00780364061 0.211696773886 TCL: atom 1: phi = 0.145003649443 TCL: Center of mass = 12.4450877966 -1.00808345279 0.212032839764 TCL: atom 1: phi = 0.144061738618 TCL: Center of mass = 12.4461776967 -1.00835249638 0.21240117099 TCL: atom 1: phi = 0.142950357857 TCL: Center of mass = 12.4472699822 -1.00863449548 0.21278030146 TCL: atom 1: phi = 0.142024060454 TCL: Center of mass = 12.4483636429 -1.00891819994 0.213163488896 TCL: atom 1: phi = 0.141066455921 TCL: Center of mass = 12.4495156513 -1.00920592237 0.213522310864 TCL: atom 1: phi = 0.140395967137 TCL: Center of mass = 12.4507114905 -1.00950989162 0.213862968932 TCL: atom 1: phi = 0.139676813335 TCL: Center of mass = 12.4519669524 -1.00983272979 0.214169208566 TCL: atom 1: phi = 0.139118389442 TCL: Center of mass = 12.4532483211 -1.01015364077 0.2144444573 TCL: atom 1: phi = 0.138437558359 TCL: Center of mass = 12.4545658687 -1.01049511786 0.214706391539 TCL: atom 1: phi = 0.137817118364 TCL: Center of mass = 12.4558514542 -1.01084016524 0.214968614242 TCL: atom 1: phi = 0.136941907427 TCL: Center of mass = 12.4571030696 -1.01119397199 0.215241867821 TCL: atom 1: phi = 0.136075625702 TCL: Center of mass = 12.4582849195 -1.01156667237 0.215504741359 TCL: atom 1: phi = 0.135096094514 TCL: Center of mass = 12.4594478433 -1.01199102271 0.215771711153 TCL: atom 1: phi = 0.13438018508 TCL: Center of mass = 12.4605878441 -1.01244838471 0.21601387214 TCL: atom 1: phi = 0.133823093536 TCL: Center of mass = 12.4617198239 -1.01293770812 0.216236391099 TCL: atom 1: phi = 0.133755281837 TCL: Center of mass = 12.4628595761 -1.01342352471 0.216426335928 TCL: atom 1: phi = 0.133925525859 TCL: Center of mass = 12.4640273242 -1.01394259229 0.216605405213 TCL: atom 1: phi = 0.134509960819 TCL: Center of mass = 12.4652132813 -1.01443280793 0.216770432986 TCL: atom 1: phi = 0.135080284217 TCL: Center of mass = 12.466416679 -1.01490691701 0.216918758592 TCL: atom 1: phi = 0.135843695698 TCL: Center of mass = 12.4675893974 -1.01534027145 0.217086987633 TCL: atom 1: phi = 0.136418330592 TCL: Center of mass = 12.4687578112 -1.01574174854 0.217289291989 TCL: atom 1: phi = 0.136973480065 TCL: Center of mass = 12.4699013466 -1.01610307639 0.217507964222 TCL: atom 1: phi = 0.137327737216 TCL: Center of mass = 12.4710126917 -1.01643046961 0.217767140585 TCL: atom 1: phi = 0.137756912305 TCL: Center of mass = 12.472092077 -1.0167047551 0.218017742189 TCL: atom 1: phi = 0.138044140898 TCL: Center of mass = 12.4731647953 -1.01694780356 0.218282389877 TCL: atom 1: phi = 0.138457475883 TCL: Center of mass = 12.4742270029 -1.01717829301 0.21850018656 TCL: atom 1: phi = 0.138798276929 TCL: Center of mass = 12.4752950093 -1.01739230875 0.218688501932 TCL: atom 1: phi = 0.139194623795 TCL: Center of mass = 12.476382071 -1.01756896939 0.218830917981 TCL: atom 1: phi = 0.139372793894 TCL: Center of mass = 12.4774856704 -1.01772040374 0.218948722369 TCL: atom 1: phi = 0.139480140718 TCL: Center of mass = 12.4785981334 -1.017852645 0.219031712581 TCL: atom 1: phi = 0.139253722419 TCL: Center of mass = 12.4797294079 -1.01798670461 0.219130097295 TCL: atom 1: phi = 0.138930436015 TCL: Center of mass = 12.4808565255 -1.01810253664 0.219225562346 TCL: atom 1: phi = 0.138357932316 TCL: Center of mass = 12.4819788822 -1.01822826318 0.219331575645 TCL: atom 1: phi = 0.137794921746 TCL: Center of mass = 12.4830726461 -1.01833934486 0.21941333684 TCL: atom 1: phi = 0.137171766828 TCL: Center of mass = 12.4841726132 -1.01844861612 0.219473818579 TCL: atom 1: phi = 0.136821137659 TCL: Center of mass = 12.4852773221 -1.01857646595 0.219478398967 TCL: atom 1: phi = 0.136543373131 WRITING COORDINATES TO DCD FILE AT STEP 9300 WRITING COORDINATES TO RESTART FILE AT STEP 9300 FINISHED WRITING RESTART COORDINATES TIMING: 9300 CPU: 495.891, 0.0534819/step Wall: 594.159, 0.0638431/step, 0.189756 hours remaining, 13608 kB of memory in use. ENERGY: 9300 3425.1338 2408.7545 385.4135 38.6732 -44631.7420 4231.4326 0.0000 0.0000 9778.5920 -24363.7424 289.8773 -24215.1509 -24227.8137 291.0718 1590.5773 -691.6776 125000.0000 -1151.3006 -1148.5075 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9300 WRITING VELOCITIES TO RESTART FILE AT STEP 9300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.4863653274 -1.01872562406 0.219457631161 TCL: atom 1: phi = 0.136513405551 TCL: Center of mass = 12.4874591683 -1.01888172317 0.2194081476 TCL: atom 1: phi = 0.136473787547 TCL: Center of mass = 12.4885540967 -1.01907552638 0.219365150369 TCL: atom 1: phi = 0.13655864319 TCL: Center of mass = 12.4896894752 -1.01930010415 0.219317485424 TCL: atom 1: phi = 0.136518370815 TCL: Center of mass = 12.4908633672 -1.01952713491 0.21930834248 TCL: atom 1: phi = 0.136480642491 TCL: Center of mass = 12.4920850241 -1.01974084309 0.21929844919 TCL: atom 1: phi = 0.136154942349 TCL: Center of mass = 12.4933560904 -1.01993172372 0.21933986576 TCL: atom 1: phi = 0.135879618573 TCL: Center of mass = 12.494670705 -1.02010078792 0.219390476003 TCL: atom 1: phi = 0.135457159426 TCL: Center of mass = 12.4960016304 -1.02025352291 0.219470354912 TCL: atom 1: phi = 0.135153779766 TCL: Center of mass = 12.4973304195 -1.02038202462 0.219564549117 TCL: atom 1: phi = 0.13473222345 TCL: Center of mass = 12.4986146342 -1.02050346253 0.219678063087 TCL: atom 1: phi = 0.134476993752 TCL: Center of mass = 12.4998720826 -1.02060816882 0.219795701007 TCL: atom 1: phi = 0.134124188979 TCL: Center of mass = 12.5011021139 -1.02072198152 0.219919081913 TCL: atom 1: phi = 0.133766570965 TCL: Center of mass = 12.5023191419 -1.02082832586 0.220060077566 TCL: atom 1: phi = 0.133233834128 TCL: Center of mass = 12.5035697326 -1.02095222755 0.220233056979 TCL: atom 1: phi = 0.132705673678 TCL: Center of mass = 12.5048550539 -1.02107698042 0.220427992523 TCL: atom 1: phi = 0.131913955535 TCL: Center of mass = 12.5061671035 -1.02119453804 0.220645542264 TCL: atom 1: phi = 0.131154243709 TCL: Center of mass = 12.5075168079 -1.02128754152 0.220853639054 TCL: atom 1: phi = 0.130349271595 TCL: Center of mass = 12.5088824721 -1.02138553931 0.221048052124 TCL: atom 1: phi = 0.129806043777 TCL: Center of mass = 12.5102270124 -1.02146119681 0.221227889593 TCL: atom 1: phi = 0.129408591089 TCL: Center of mass = 12.5115670222 -1.02153967842 0.221390530902 TCL: atom 1: phi = 0.129452485142 TCL: Center of mass = 12.5128632721 -1.02161482361 0.22153156879 TCL: atom 1: phi = 0.129673594344 TCL: Center of mass = 12.5141201639 -1.02170254443 0.221637094115 TCL: atom 1: phi = 0.130175287534 TCL: Center of mass = 12.5153392691 -1.02179727968 0.221697659235 TCL: atom 1: phi = 0.130653544559 TCL: Center of mass = 12.5165635139 -1.02190506915 0.221732781486 TCL: atom 1: phi = 0.131193069342 TCL: Center of mass = 12.5178148108 -1.02202129999 0.221737099546 TCL: atom 1: phi = 0.131556195521 TCL: Center of mass = 12.5191525788 -1.02212673462 0.221718425484 TCL: atom 1: phi = 0.131960016396 TCL: Center of mass = 12.5205821364 -1.02218448008 0.221696723191 TCL: atom 1: phi = 0.132147789381 TCL: Center of mass = 12.5220840298 -1.02222003217 0.221681298728 TCL: atom 1: phi = 0.132421637824 TCL: Center of mass = 12.5236250267 -1.02219746546 0.221653320587 TCL: atom 1: phi = 0.132538631367 TCL: Center of mass = 12.5251635147 -1.0221596037 0.221640737124 TCL: atom 1: phi = 0.132776781304 TCL: Center of mass = 12.5266841893 -1.02208467069 0.22163030603 TCL: atom 1: phi = 0.132851852434 TCL: Center of mass = 12.5281785163 -1.02199248253 0.221642984793 TCL: atom 1: phi = 0.132908498676 TCL: Center of mass = 12.5296235056 -1.0218950609 0.221662527522 TCL: atom 1: phi = 0.132721044115 TCL: Center of mass = 12.5310303011 -1.02184423931 0.2217076473 TCL: atom 1: phi = 0.132516731287 TCL: Center of mass = 12.5324366779 -1.02177286412 0.22176506049 TCL: atom 1: phi = 0.132056973425 TCL: Center of mass = 12.5338963497 -1.02171487332 0.221819095145 TCL: atom 1: phi = 0.131607494238 TCL: Center of mass = 12.5353840214 -1.02164754866 0.221871925666 TCL: atom 1: phi = 0.130968222117 TCL: Center of mass = 12.5369267173 -1.02159180175 0.221917043203 TCL: atom 1: phi = 0.130420481089 TCL: Center of mass = 12.5385028702 -1.02150911335 0.221971632602 TCL: atom 1: phi = 0.129829103545 TCL: Center of mass = 12.5400875221 -1.02142551264 0.222065100062 TCL: atom 1: phi = 0.12948002522 TCL: Center of mass = 12.541658089 -1.02133619503 0.222165332557 TCL: atom 1: phi = 0.129179319807 TCL: Center of mass = 12.5432076751 -1.02127453932 0.222309432998 TCL: atom 1: phi = 0.129125695769 TCL: Center of mass = 12.5447027296 -1.02123852715 0.22249244273 TCL: atom 1: phi = 0.129028193482 TCL: Center of mass = 12.5461548967 -1.02126714755 0.222711281334 TCL: atom 1: phi = 0.129063051283 TCL: Center of mass = 12.5475795547 -1.02132239898 0.222934600295 TCL: atom 1: phi = 0.128880398265 TCL: Center of mass = 12.5490022355 -1.02141076774 0.223151996523 TCL: atom 1: phi = 0.12874882629 TCL: Center of mass = 12.5504357114 -1.0215032371 0.223336056371 TCL: atom 1: phi = 0.128383324946 TCL: Center of mass = 12.5519080563 -1.02161646031 0.223480297514 TCL: atom 1: phi = 0.128050124263 TCL: Center of mass = 12.55341905 -1.02172149757 0.223583839466 TCL: atom 1: phi = 0.127559216529 TCL: Center of mass = 12.5549620206 -1.02183403791 0.223682215648 TCL: atom 1: phi = 0.127232548117 TCL: Center of mass = 12.5565077451 -1.02191499498 0.223784056276 TCL: atom 1: phi = 0.126791025492 TCL: Center of mass = 12.5580436898 -1.02196206156 0.223907483365 TCL: atom 1: phi = 0.126471806752 TCL: Center of mass = 12.5595603748 -1.02195992232 0.224037110609 TCL: atom 1: phi = 0.126046511812 TCL: Center of mass = 12.5610517956 -1.0219417634 0.224186771227 TCL: atom 1: phi = 0.125732898488 TCL: Center of mass = 12.5625399045 -1.02190688172 0.224327568516 TCL: atom 1: phi = 0.125353214214 TCL: Center of mass = 12.564042216 -1.02186337626 0.224456584714 TCL: atom 1: phi = 0.125098529052 TCL: Center of mass = 12.5655570782 -1.02179896925 0.224538482463 TCL: atom 1: phi = 0.124736505319 TCL: Center of mass = 12.5671160961 -1.02172264986 0.224600478893 TCL: atom 1: phi = 0.124579728029 TCL: Center of mass = 12.5687083894 -1.02163616998 0.224619756652 TCL: atom 1: phi = 0.124470022049 TCL: Center of mass = 12.5703527858 -1.02156193251 0.224634329604 TCL: atom 1: phi = 0.124820656135 TCL: Center of mass = 12.5720091777 -1.02145888925 0.224643793702 TCL: atom 1: phi = 0.125342756004 TCL: Center of mass = 12.5736803014 -1.02135276259 0.224687794527 TCL: atom 1: phi = 0.126290702781 TCL: Center of mass = 12.575339488 -1.02124029092 0.224765212139 TCL: atom 1: phi = 0.127361340777 TCL: Center of mass = 12.57699533 -1.02112050853 0.224907039648 TCL: atom 1: phi = 0.128725521252 TCL: Center of mass = 12.5786063162 -1.02101301609 0.225057331637 TCL: atom 1: phi = 0.130051187033 TCL: Center of mass = 12.5802090357 -1.02091018089 0.225213216105 TCL: atom 1: phi = 0.131531938657 TCL: Center of mass = 12.5817907355 -1.02081966897 0.225354368344 TCL: atom 1: phi = 0.132784667425 TCL: Center of mass = 12.5833709893 -1.02076127275 0.225483183261 TCL: atom 1: phi = 0.134077629783 TCL: Center of mass = 12.5849778297 -1.02072405024 0.225579773915 TCL: atom 1: phi = 0.135153359272 TCL: Center of mass = 12.5865925701 -1.02070977689 0.225635852776 TCL: atom 1: phi = 0.136285597819 TCL: Center of mass = 12.5882115363 -1.02071263325 0.225667358946 TCL: atom 1: phi = 0.137126199149 TCL: Center of mass = 12.5898507217 -1.02073986165 0.225716027363 TCL: atom 1: phi = 0.137951142963 TCL: Center of mass = 12.5914672778 -1.02076074924 0.225793395099 TCL: atom 1: phi = 0.138553538603 TCL: Center of mass = 12.5930764735 -1.02077436194 0.225926375872 TCL: atom 1: phi = 0.139083763457 TCL: Center of mass = 12.5946719587 -1.02075121984 0.226081228483 TCL: atom 1: phi = 0.139307664223 TCL: Center of mass = 12.5962515886 -1.02070355637 0.226261259205 TCL: atom 1: phi = 0.139504591527 TCL: Center of mass = 12.5978270664 -1.02061328935 0.226428532743 TCL: atom 1: phi = 0.139415604278 TCL: Center of mass = 12.5993987598 -1.02051474434 0.226601207502 TCL: atom 1: phi = 0.139299274272 TCL: Center of mass = 12.6009589081 -1.02039494714 0.226757558213 TCL: atom 1: phi = 0.138991693928 TCL: Center of mass = 12.6025341382 -1.02025148381 0.226908507522 TCL: atom 1: phi = 0.138781173505 TCL: Center of mass = 12.6041065461 -1.02010605051 0.227042829958 TCL: atom 1: phi = 0.138483746986 TCL: Center of mass = 12.6057159925 -1.01996686515 0.227201216988 TCL: atom 1: phi = 0.138495811366 TCL: Center of mass = 12.6073373942 -1.01982363654 0.227382902472 TCL: atom 1: phi = 0.138604599268 TCL: Center of mass = 12.6090066853 -1.01965824416 0.22759859702 TCL: atom 1: phi = 0.138998803555 TCL: Center of mass = 12.6106903064 -1.01945509509 0.227851204305 TCL: atom 1: phi = 0.139347231599 TCL: Center of mass = 12.6123743076 -1.01922977305 0.228126584681 TCL: atom 1: phi = 0.139855512031 TCL: Center of mass = 12.614041938 -1.0189431371 0.228408556544 TCL: atom 1: phi = 0.140221763265 TCL: Center of mass = 12.6156666211 -1.01862837765 0.228700704594 TCL: atom 1: phi = 0.140659189356 TCL: Center of mass = 12.6172453016 -1.01829941038 0.228996763425 TCL: atom 1: phi = 0.140902780556 TCL: Center of mass = 12.6188008511 -1.0180004931 0.229283104078 TCL: atom 1: phi = 0.14123813865 TCL: Center of mass = 12.6203284957 -1.01773045811 0.229539100779 TCL: atom 1: phi = 0.141447695375 TCL: Center of mass = 12.62186325 -1.01750600868 0.22978473084 TCL: atom 1: phi = 0.141768968552 TCL: Center of mass = 12.6233977364 -1.01730144129 0.230021025937 TCL: atom 1: phi = 0.142019042065 TCL: Center of mass = 12.6249583692 -1.01712428694 0.230265895023 TCL: atom 1: phi = 0.142481348138 TCL: Center of mass = 12.6265235506 -1.01694439448 0.230501079548 TCL: atom 1: phi = 0.142797068873 TCL: Center of mass = 12.6281114464 -1.0167645312 0.230726501094 TCL: atom 1: phi = 0.143227225464 TCL: Center of mass = 12.6296895655 -1.01655115401 0.230945959634 TCL: atom 1: phi = 0.143461294734 TCL: Center of mass = 12.6312501031 -1.0163345511 0.231160296196 TCL: atom 1: phi = 0.143802792882 TCL: Center of mass = 12.632766539 -1.01608989649 0.231387388137 TCL: atom 1: phi = 0.144038379645 WRITING COORDINATES TO DCD FILE AT STEP 9400 WRITING COORDINATES TO RESTART FILE AT STEP 9400 FINISHED WRITING RESTART COORDINATES TIMING: 9400 CPU: 501.257, 0.0536618/step Wall: 600.462, 0.0630265/step, 0.185578 hours remaining, 13608 kB of memory in use. ENERGY: 9400 3414.5113 2500.8586 365.9548 30.5598 -44696.2328 4215.3598 0.0000 0.0000 9794.9265 -24374.0620 290.3615 -24225.8424 -24235.3080 292.2875 1438.4394 -1041.1374 125000.0000 -868.5975 -866.7462 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9400 WRITING VELOCITIES TO RESTART FILE AT STEP 9400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.634251161 -1.01582561601 0.231650060122 TCL: atom 1: phi = 0.144404730936 TCL: Center of mass = 12.6356894829 -1.0155593586 0.231929966345 TCL: atom 1: phi = 0.144731810461 TCL: Center of mass = 12.6371190352 -1.01529965074 0.23221135892 TCL: atom 1: phi = 0.145351685774 TCL: Center of mass = 12.6385585277 -1.01505364035 0.232496138253 TCL: atom 1: phi = 0.146004643258 TCL: Center of mass = 12.640053351 -1.01482547189 0.232777937132 TCL: atom 1: phi = 0.146981606416 TCL: Center of mass = 12.6415835368 -1.01459479407 0.233045657447 TCL: atom 1: phi = 0.147938785848 TCL: Center of mass = 12.6431614781 -1.01437640491 0.233307670518 TCL: atom 1: phi = 0.149134447684 TCL: Center of mass = 12.6447797879 -1.01413952619 0.233569822263 TCL: atom 1: phi = 0.15021978569 TCL: Center of mass = 12.6464404645 -1.01388884626 0.233845020753 TCL: atom 1: phi = 0.151397168102 TCL: Center of mass = 12.648076063 -1.01360864936 0.234122043993 TCL: atom 1: phi = 0.152346008033 TCL: Center of mass = 12.6496886047 -1.01329950208 0.234403485745 TCL: atom 1: phi = 0.153277072707 TCL: Center of mass = 12.651255887 -1.01299328833 0.234711460026 TCL: atom 1: phi = 0.15395528365 TCL: Center of mass = 12.6527943818 -1.01268065949 0.235029953797 TCL: atom 1: phi = 0.154587512559 TCL: Center of mass = 12.6543205341 -1.01239842112 0.235345953647 TCL: atom 1: phi = 0.15494814782 TCL: Center of mass = 12.6558666161 -1.01214608468 0.235655029993 TCL: atom 1: phi = 0.155372789921 TCL: Center of mass = 12.6574471689 -1.01191784587 0.235939137197 TCL: atom 1: phi = 0.155539037274 TCL: Center of mass = 12.6590567332 -1.01173621037 0.236188513766 TCL: atom 1: phi = 0.155725582378 TCL: Center of mass = 12.6606650834 -1.0115621358 0.236395951386 TCL: atom 1: phi = 0.155667739464 TCL: Center of mass = 12.6622934592 -1.01140635734 0.236584066333 TCL: atom 1: phi = 0.155596856336 TCL: Center of mass = 12.6638836563 -1.0112503511 0.236762551446 TCL: atom 1: phi = 0.15526530486 TCL: Center of mass = 12.6654477199 -1.01111605322 0.236945774828 TCL: atom 1: phi = 0.154970946205 TCL: Center of mass = 12.6669458369 -1.0109764031 0.237149597827 TCL: atom 1: phi = 0.154507417936 TCL: Center of mass = 12.6684260978 -1.01084991763 0.23737173513 TCL: atom 1: phi = 0.154199613927 TCL: Center of mass = 12.6698605793 -1.01074825936 0.237601623378 TCL: atom 1: phi = 0.153884121893 TCL: Center of mass = 12.6713216745 -1.01066561737 0.237828018532 TCL: atom 1: phi = 0.153879352738 TCL: Center of mass = 12.6727809848 -1.01058898333 0.238042924191 TCL: atom 1: phi = 0.153908183056 TCL: Center of mass = 12.674277494 -1.01053802269 0.238231138653 TCL: atom 1: phi = 0.154179598925 TCL: Center of mass = 12.6757665909 -1.0104677811 0.238382532578 TCL: atom 1: phi = 0.154399486443 TCL: Center of mass = 12.677278089 -1.0103875245 0.238502094307 TCL: atom 1: phi = 0.15473179525 TCL: Center of mass = 12.6787569603 -1.01028099194 0.238584280297 TCL: atom 1: phi = 0.154882824512 TCL: Center of mass = 12.6801919768 -1.01014566586 0.238661559482 TCL: atom 1: phi = 0.155121813707 TCL: Center of mass = 12.6815585824 -1.0099945678 0.238710828251 TCL: atom 1: phi = 0.155108000685 TCL: Center of mass = 12.6828713665 -1.00983099398 0.23875438424 TCL: atom 1: phi = 0.15513128961 TCL: Center of mass = 12.6841284376 -1.00965595556 0.238801720816 TCL: atom 1: phi = 0.154947771239 TCL: Center of mass = 12.6853669174 -1.00948139153 0.238830328522 TCL: atom 1: phi = 0.154817886214 TCL: Center of mass = 12.6865934188 -1.00931920928 0.238829296904 TCL: atom 1: phi = 0.154522428891 TCL: Center of mass = 12.6878330087 -1.00917438844 0.238784570189 TCL: atom 1: phi = 0.154273751974 TCL: Center of mass = 12.6890795903 -1.00905389202 0.238725317771 TCL: atom 1: phi = 0.15378651956 TCL: Center of mass = 12.690373495 -1.00896382156 0.238635201507 TCL: atom 1: phi = 0.153304104344 TCL: Center of mass = 12.6916542883 -1.00891946653 0.238550862365 TCL: atom 1: phi = 0.152514383977 TCL: Center of mass = 12.6929403081 -1.00888452936 0.238473388831 TCL: atom 1: phi = 0.151697389311 TCL: Center of mass = 12.6942109067 -1.00887823382 0.23840224104 TCL: atom 1: phi = 0.150698027306 TCL: Center of mass = 12.6954955873 -1.00887186128 0.238358347444 TCL: atom 1: phi = 0.149690194792 TCL: Center of mass = 12.6967541378 -1.0088977722 0.238349884759 TCL: atom 1: phi = 0.1485294481 TCL: Center of mass = 12.6980252569 -1.0089236322 0.238356695902 TCL: atom 1: phi = 0.147589160806 TCL: Center of mass = 12.6992677603 -1.0089522206 0.238390479738 TCL: atom 1: phi = 0.146633310039 TCL: Center of mass = 12.7005272242 -1.00899141079 0.238447843756 TCL: atom 1: phi = 0.145997413304 TCL: Center of mass = 12.7017912338 -1.00905979315 0.238485211432 TCL: atom 1: phi = 0.145410366415 TCL: Center of mass = 12.7030620708 -1.00915416415 0.238504761913 TCL: atom 1: phi = 0.144973943969 TCL: Center of mass = 12.7043190806 -1.00926955625 0.238536906874 TCL: atom 1: phi = 0.144437170735 TCL: Center of mass = 12.705564405 -1.00941995281 0.238587387727 TCL: atom 1: phi = 0.143981414529 TCL: Center of mass = 12.706781463 -1.00959282729 0.238672254753 TCL: atom 1: phi = 0.143299574048 TCL: Center of mass = 12.7079878291 -1.00976825226 0.238770797399 TCL: atom 1: phi = 0.14268248739 TCL: Center of mass = 12.7091909415 -1.00995085912 0.23888946688 TCL: atom 1: phi = 0.141866277866 TCL: Center of mass = 12.7103762651 -1.01013175929 0.239040917127 TCL: atom 1: phi = 0.141207140344 TCL: Center of mass = 12.711547278 -1.01032663176 0.239194455156 TCL: atom 1: phi = 0.140548735313 TCL: Center of mass = 12.7127221881 -1.01052423954 0.239348879272 TCL: atom 1: phi = 0.140179054093 TCL: Center of mass = 12.713893605 -1.01069992792 0.239483701332 TCL: atom 1: phi = 0.139773967892 TCL: Center of mass = 12.7150789654 -1.01089183195 0.239608265403 TCL: atom 1: phi = 0.139604197582 TCL: Center of mass = 12.7162865563 -1.01108563615 0.239726894995 TCL: atom 1: phi = 0.139313109621 TCL: Center of mass = 12.7175085484 -1.01131401593 0.239837059827 TCL: atom 1: phi = 0.139141419159 TCL: Center of mass = 12.7187225173 -1.01156099931 0.23993187401 TCL: atom 1: phi = 0.138851411588 TCL: Center of mass = 12.7199403098 -1.01181847519 0.240018002631 TCL: atom 1: phi = 0.138727573734 TCL: Center of mass = 12.7211745641 -1.01207276805 0.240098682058 TCL: atom 1: phi = 0.138535636944 TCL: Center of mass = 12.7224432382 -1.01237315572 0.240200049756 TCL: atom 1: phi = 0.13855851366 TCL: Center of mass = 12.7237273067 -1.01264775276 0.240300251581 TCL: atom 1: phi = 0.138565390756 TCL: Center of mass = 12.7250411223 -1.01294320717 0.240426164359 TCL: atom 1: phi = 0.138836605059 TCL: Center of mass = 12.7263664535 -1.01323159865 0.240532507322 TCL: atom 1: phi = 0.139071618188 TCL: Center of mass = 12.7276757983 -1.01351225022 0.240637550761 TCL: atom 1: phi = 0.139471761289 TCL: Center of mass = 12.7289690537 -1.01381036729 0.240735099035 TCL: atom 1: phi = 0.13971900064 TCL: Center of mass = 12.7302617168 -1.0141306416 0.240843642347 TCL: atom 1: phi = 0.140008754657 TCL: Center of mass = 12.731531585 -1.01446665167 0.24093385333 TCL: atom 1: phi = 0.140032116723 TCL: Center of mass = 12.7328152102 -1.01481498869 0.241007379621 TCL: atom 1: phi = 0.140098146525 TCL: Center of mass = 12.7341045159 -1.01517275156 0.241084058984 TCL: atom 1: phi = 0.139891933315 TCL: Center of mass = 12.7354280767 -1.01554555388 0.241164098277 TCL: atom 1: phi = 0.139773612188 TCL: Center of mass = 12.7367545564 -1.01590219093 0.241230336879 TCL: atom 1: phi = 0.139592639552 TCL: Center of mass = 12.7380920398 -1.01626522265 0.24129178845 TCL: atom 1: phi = 0.139641301383 TCL: Center of mass = 12.7394112617 -1.01658533214 0.241375677232 TCL: atom 1: phi = 0.139689463681 TCL: Center of mass = 12.7406888675 -1.01691949448 0.241459216705 TCL: atom 1: phi = 0.139975155865 TCL: Center of mass = 12.7419127005 -1.01722652856 0.241554813448 TCL: atom 1: phi = 0.140201559412 TCL: Center of mass = 12.7430933579 -1.01754318203 0.241657392493 TCL: atom 1: phi = 0.140660632865 TCL: Center of mass = 12.7442212168 -1.01785683781 0.241764657649 TCL: atom 1: phi = 0.140968386186 TCL: Center of mass = 12.7453553253 -1.01821535753 0.241890901637 TCL: atom 1: phi = 0.141530553284 TCL: Center of mass = 12.7464939502 -1.01857512733 0.242004257039 TCL: atom 1: phi = 0.142008438746 TCL: Center of mass = 12.7476828833 -1.01896890643 0.242117895255 TCL: atom 1: phi = 0.142737649938 TCL: Center of mass = 12.7489100418 -1.0193404832 0.242229925729 TCL: atom 1: phi = 0.143522414646 TCL: Center of mass = 12.7501741603 -1.01971154396 0.242372925677 TCL: atom 1: phi = 0.144717396668 TCL: Center of mass = 12.751423511 -1.02006311002 0.242544233723 TCL: atom 1: phi = 0.145991079224 TCL: Center of mass = 12.7526593978 -1.02042757629 0.242727683481 TCL: atom 1: phi = 0.14763991572 TCL: Center of mass = 12.7538389807 -1.02074909531 0.242937216385 TCL: atom 1: phi = 0.149229250316 TCL: Center of mass = 12.7549768646 -1.02107511083 0.243167025857 TCL: atom 1: phi = 0.150965841047 TCL: Center of mass = 12.7560778459 -1.02139488652 0.243414164397 TCL: atom 1: phi = 0.152417783228 TCL: Center of mass = 12.7571849711 -1.02172258892 0.243690260846 TCL: atom 1: phi = 0.153939312734 TCL: Center of mass = 12.7582841225 -1.0220556924 0.243983896999 TCL: atom 1: phi = 0.155124035241 TCL: Center of mass = 12.7594484768 -1.0224093604 0.244288959105 TCL: atom 1: phi = 0.15634375418 TCL: Center of mass = 12.7606489809 -1.02275902459 0.244585916636 TCL: atom 1: phi = 0.157253275269 TCL: Center of mass = 12.7618897187 -1.0231191892 0.24486011079 TCL: atom 1: phi = 0.158206148821 TCL: Center of mass = 12.7631463724 -1.02347492642 0.245116232398 TCL: atom 1: phi = 0.158841960297 TCL: Center of mass = 12.7644307236 -1.02383136593 0.245365234923 TCL: atom 1: phi = 0.159502087172 TCL: Center of mass = 12.7656768573 -1.02416232022 0.245637839239 TCL: atom 1: phi = 0.159836689832 WRITING COORDINATES TO DCD FILE AT STEP 9500 WRITING COORDINATES TO RESTART FILE AT STEP 9500 FINISHED WRITING RESTART COORDINATES TIMING: 9500 CPU: 506.613, 0.0535619/step Wall: 606.903, 0.0644125/step, 0.18787 hours remaining, 13608 kB of memory in use. ENERGY: 9500 3397.7502 2509.1011 376.6896 33.1523 -44736.0872 4163.1912 0.0000 0.0000 9889.8637 -24366.3390 293.1758 -24218.6307 -24227.0127 291.8515 1531.4706 -1095.4274 125000.0000 -1030.9826 -1033.8639 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9500 WRITING VELOCITIES TO RESTART FILE AT STEP 9500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.7669017902 -1.02446838485 0.2458961405 TCL: atom 1: phi = 0.160188107524 TCL: Center of mass = 12.7680797481 -1.02471452638 0.246139282004 TCL: atom 1: phi = 0.160127877755 TCL: Center of mass = 12.7692624652 -1.02493868012 0.24636775017 TCL: atom 1: phi = 0.160091087227 TCL: Center of mass = 12.7704672691 -1.02512646775 0.246581074347 TCL: atom 1: phi = 0.159816586893 TCL: Center of mass = 12.771744666 -1.02531329234 0.246786226901 TCL: atom 1: phi = 0.159659845869 TCL: Center of mass = 12.7730705575 -1.02549489595 0.246973292234 TCL: atom 1: phi = 0.159316473617 TCL: Center of mass = 12.7744466864 -1.02570307908 0.247156337808 TCL: atom 1: phi = 0.15928734119 TCL: Center of mass = 12.7758388586 -1.02592596827 0.247355998988 TCL: atom 1: phi = 0.159183610271 TCL: Center of mass = 12.7772349831 -1.0261647468 0.247566730052 TCL: atom 1: phi = 0.159429467988 TCL: Center of mass = 12.7785741102 -1.02637092164 0.247800505553 TCL: atom 1: phi = 0.159616281103 TCL: Center of mass = 12.7798875841 -1.02655258299 0.248067890332 TCL: atom 1: phi = 0.159988969122 TCL: Center of mass = 12.7811491336 -1.02669572081 0.248383749607 TCL: atom 1: phi = 0.160156442287 TCL: Center of mass = 12.7824155595 -1.02682680491 0.248721194904 TCL: atom 1: phi = 0.16039633289 TCL: Center of mass = 12.7836668136 -1.02693941651 0.249082263187 TCL: atom 1: phi = 0.16035366453 TCL: Center of mass = 12.7849504224 -1.02707547522 0.249452392802 TCL: atom 1: phi = 0.160340989694 TCL: Center of mass = 12.7862257219 -1.02723634913 0.249846414579 TCL: atom 1: phi = 0.160100772111 TCL: Center of mass = 12.7875412799 -1.02744000378 0.250261811696 TCL: atom 1: phi = 0.160064110508 TCL: Center of mass = 12.7888760731 -1.02766016902 0.250688368704 TCL: atom 1: phi = 0.159934462222 TCL: Center of mass = 12.7902150616 -1.02791902599 0.251120765632 TCL: atom 1: phi = 0.159965885388 TCL: Center of mass = 12.7915225619 -1.02817400952 0.251562490636 TCL: atom 1: phi = 0.159811971116 TCL: Center of mass = 12.7928009186 -1.02845629802 0.25198934054 TCL: atom 1: phi = 0.159790715091 TCL: Center of mass = 12.7940375485 -1.02869702594 0.252426467469 TCL: atom 1: phi = 0.159549079078 TCL: Center of mass = 12.7952614925 -1.02893890308 0.252857940353 TCL: atom 1: phi = 0.159407453873 TCL: Center of mass = 12.7964692041 -1.0291443176 0.253264940203 TCL: atom 1: phi = 0.159025509588 TCL: Center of mass = 12.7977198512 -1.02935412106 0.253649410093 TCL: atom 1: phi = 0.15880502422 TCL: Center of mass = 12.7989994312 -1.02954347143 0.254024521682 TCL: atom 1: phi = 0.158484477702 TCL: Center of mass = 12.8003379218 -1.02974620726 0.254377526543 TCL: atom 1: phi = 0.158395955654 TCL: Center of mass = 12.8017011614 -1.02994588576 0.254686527681 TCL: atom 1: phi = 0.158309763883 TCL: Center of mass = 12.8030968935 -1.03018561048 0.254963198902 TCL: atom 1: phi = 0.158574245594 TCL: Center of mass = 12.8044885097 -1.03041142346 0.255215639956 TCL: atom 1: phi = 0.15876894698 TCL: Center of mass = 12.8058911618 -1.03064777361 0.255467551515 TCL: atom 1: phi = 0.15916683035 TCL: Center of mass = 12.8072638099 -1.03086115675 0.25570771532 TCL: atom 1: phi = 0.159355707527 TCL: Center of mass = 12.8086433179 -1.03105579594 0.255948685012 TCL: atom 1: phi = 0.159533044873 TCL: Center of mass = 12.8099918782 -1.0311941397 0.256160087374 TCL: atom 1: phi = 0.159421577244 TCL: Center of mass = 12.8113703221 -1.03132406989 0.256350267328 TCL: atom 1: phi = 0.159280652689 TCL: Center of mass = 12.8127431859 -1.03141137339 0.256507534355 TCL: atom 1: phi = 0.158824066942 TCL: Center of mass = 12.8141426178 -1.03148064498 0.256656925895 TCL: atom 1: phi = 0.158493657198 TCL: Center of mass = 12.8155178204 -1.03152932113 0.256796123759 TCL: atom 1: phi = 0.157977024903 TCL: Center of mass = 12.8168973285 -1.03160560168 0.256919747933 TCL: atom 1: phi = 0.157595505361 TCL: Center of mass = 12.8182405502 -1.03168756379 0.257035082178 TCL: atom 1: phi = 0.157014881369 TCL: Center of mass = 12.8195808387 -1.03179883082 0.257132176705 TCL: atom 1: phi = 0.156564633421 TCL: Center of mass = 12.8208792603 -1.03190105659 0.257218194208 TCL: atom 1: phi = 0.155976557637 TCL: Center of mass = 12.8221778142 -1.03200308682 0.257282754638 TCL: atom 1: phi = 0.155514591536 TCL: Center of mass = 12.8234514968 -1.0320788434 0.257352442595 TCL: atom 1: phi = 0.154989025535 TCL: Center of mass = 12.8247357839 -1.0321457006 0.257438350204 TCL: atom 1: phi = 0.154622168636 TCL: Center of mass = 12.826025497 -1.0321732227 0.257509000599 TCL: atom 1: phi = 0.15426299706 TCL: Center of mass = 12.8273370137 -1.03216786797 0.257559893816 TCL: atom 1: phi = 0.154248897098 TCL: Center of mass = 12.8286407515 -1.03213691302 0.257594620656 TCL: atom 1: phi = 0.154322170586 TCL: Center of mass = 12.8299726225 -1.03208122716 0.257632497715 TCL: atom 1: phi = 0.154778865582 TCL: Center of mass = 12.8312954722 -1.03197143273 0.257661659979 TCL: atom 1: phi = 0.155403046115 TCL: Center of mass = 12.8326621471 -1.0318750509 0.257682624805 TCL: atom 1: phi = 0.156442359033 TCL: Center of mass = 12.8340349677 -1.03176077959 0.257703063368 TCL: atom 1: phi = 0.157446512579 TCL: Center of mass = 12.8354364351 -1.03166632476 0.257746471632 TCL: atom 1: phi = 0.158575892264 TCL: Center of mass = 12.8368583304 -1.03155777942 0.257813465012 TCL: atom 1: phi = 0.159547603312 TCL: Center of mass = 12.8382786214 -1.03145589419 0.257906161588 TCL: atom 1: phi = 0.160507239954 TCL: Center of mass = 12.8396711621 -1.03133664036 0.258009279018 TCL: atom 1: phi = 0.16110560773 TCL: Center of mass = 12.8410425769 -1.03121396219 0.258115306925 TCL: atom 1: phi = 0.161668688669 TCL: Center of mass = 12.8423856161 -1.03106349512 0.258228246485 TCL: atom 1: phi = 0.161859832915 TCL: Center of mass = 12.8437013848 -1.03091983261 0.258334476804 TCL: atom 1: phi = 0.16201014237 TCL: Center of mass = 12.8449746703 -1.03076675297 0.258430228235 TCL: atom 1: phi = 0.161833352242 TCL: Center of mass = 12.8462232159 -1.03064814206 0.25855394234 TCL: atom 1: phi = 0.161545719185 TCL: Center of mass = 12.8474625235 -1.03056526959 0.258673897874 TCL: atom 1: phi = 0.160912342053 TCL: Center of mass = 12.8487194976 -1.0305325188 0.258791199991 TCL: atom 1: phi = 0.160219261848 TCL: Center of mass = 12.8499713976 -1.0305083007 0.258908449397 TCL: atom 1: phi = 0.159192238649 TCL: Center of mass = 12.8512079186 -1.03051756196 0.259022319199 TCL: atom 1: phi = 0.158090546562 TCL: Center of mass = 12.8524335429 -1.03052785005 0.259133581826 TCL: atom 1: phi = 0.156703878172 TCL: Center of mass = 12.8536514939 -1.0305422197 0.259244345879 TCL: atom 1: phi = 0.155384730535 TCL: Center of mass = 12.8548275098 -1.03053233319 0.259348903706 TCL: atom 1: phi = 0.153957445803 TCL: Center of mass = 12.8559808119 -1.03049443873 0.259439814964 TCL: atom 1: phi = 0.15274584366 TCL: Center of mass = 12.8571064247 -1.03041387206 0.259499258279 TCL: atom 1: phi = 0.151529325769 TCL: Center of mass = 12.8582344232 -1.03032011208 0.259537672909 TCL: atom 1: phi = 0.150600107954 TCL: Center of mass = 12.8593860277 -1.03020513683 0.259543506339 TCL: atom 1: phi = 0.149670038288 TCL: Center of mass = 12.860603627 -1.03009555734 0.25949744096 TCL: atom 1: phi = 0.148988007238 TCL: Center of mass = 12.8618912245 -1.0299751975 0.259436974259 TCL: atom 1: phi = 0.148307733762 TCL: Center of mass = 12.8632533586 -1.02986610239 0.259366345682 TCL: atom 1: phi = 0.147778092747 TCL: Center of mass = 12.864643913 -1.02973995471 0.259276500822 TCL: atom 1: phi = 0.14711521843 TCL: Center of mass = 12.8660324948 -1.02962460647 0.259187201498 TCL: atom 1: phi = 0.146586870004 TCL: Center of mass = 12.8674093629 -1.02948378719 0.259095906852 TCL: atom 1: phi = 0.145943097148 TCL: Center of mass = 12.8687601903 -1.02932386207 0.259018231641 TCL: atom 1: phi = 0.145469183821 TCL: Center of mass = 12.8700841811 -1.02913880841 0.258969910683 TCL: atom 1: phi = 0.144993811752 TCL: Center of mass = 12.8713898774 -1.02893901769 0.258912223153 TCL: atom 1: phi = 0.144759831791 TCL: Center of mass = 12.8726605827 -1.02873713918 0.258860412041 TCL: atom 1: phi = 0.144419583155 TCL: Center of mass = 12.8739697911 -1.02856849253 0.258827609934 TCL: atom 1: phi = 0.144267819788 TCL: Center of mass = 12.8752807496 -1.02842071828 0.258789941258 TCL: atom 1: phi = 0.144023518547 TCL: Center of mass = 12.8766241231 -1.02831334706 0.258757158041 TCL: atom 1: phi = 0.143934467822 TCL: Center of mass = 12.8779517967 -1.02821109082 0.25872027674 TCL: atom 1: phi = 0.143755903666 TCL: Center of mass = 12.8792736091 -1.02813752364 0.258672177591 TCL: atom 1: phi = 0.143725549187 TCL: Center of mass = 12.8805427606 -1.02806100469 0.258639909011 TCL: atom 1: phi = 0.143711528436 TCL: Center of mass = 12.8817634031 -1.02796635109 0.258612388273 TCL: atom 1: phi = 0.143963090214 TCL: Center of mass = 12.8829174374 -1.02785167492 0.258619596679 TCL: atom 1: phi = 0.144283176995 TCL: Center of mass = 12.8840588552 -1.0277234083 0.258617920537 TCL: atom 1: phi = 0.144871655785 TCL: Center of mass = 12.8851698933 -1.02755338998 0.25859518948 TCL: atom 1: phi = 0.145413027802 TCL: Center of mass = 12.8863198949 -1.0273804496 0.258574791353 TCL: atom 1: phi = 0.146085647096 TCL: Center of mass = 12.8875181273 -1.02717391627 0.258560097189 TCL: atom 1: phi = 0.146501528023 TCL: Center of mass = 12.8887818503 -1.02696914932 0.258531811512 TCL: atom 1: phi = 0.146875359047 TCL: Center of mass = 12.8900766198 -1.02671659905 0.25850484601 TCL: atom 1: phi = 0.146954041745 TCL: Center of mass = 12.8914047974 -1.02645269669 0.258481835671 TCL: atom 1: phi = 0.14703159919 TCL: Center of mass = 12.8927545628 -1.02614603539 0.258474540752 TCL: atom 1: phi = 0.146703221225 TCL: Center of mass = 12.8941313206 -1.02580562491 0.25849502233 TCL: atom 1: phi = 0.146404161248 TCL: Center of mass = 12.8955005046 -1.02543516922 0.258553124834 TCL: atom 1: phi = 0.145744794445 WRITING COORDINATES TO DCD FILE AT STEP 9600 WRITING COORDINATES TO RESTART FILE AT STEP 9600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9600 FINISHED WRITING RESTART VELOCITIES TIMING: 9600 CPU: 511.958, 0.0534519/step Wall: 613.308, 0.0640483/step, 0.185028 hours remaining, 13608 kB of memory in use. ENERGY: 9600 3363.8563 2477.8008 379.5398 34.5947 -44455.9520 4008.0058 0.0000 0.0000 9785.2249 -24406.9297 290.0739 -24261.0783 -24261.8253 291.0723 1365.5400 -1265.9234 125000.0000 -969.0511 -972.3418 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9600 TCL: Center of mass = 12.8968941858 -1.02504770441 0.258626195081 TCL: atom 1: phi = 0.145110133733 TCL: Center of mass = 12.8982716367 -1.02463496379 0.258730286249 TCL: atom 1: phi = 0.144130162152 TCL: Center of mass = 12.8996714186 -1.02422154561 0.258858826433 TCL: atom 1: phi = 0.143193286493 TCL: Center of mass = 12.9010597559 -1.02380118923 0.258983520341 TCL: atom 1: phi = 0.141966916254 TCL: Center of mass = 12.9024835822 -1.0233959412 0.259133493935 TCL: atom 1: phi = 0.140846458897 TCL: Center of mass = 12.9039107414 -1.02300980305 0.259308916252 TCL: atom 1: phi = 0.139600511011 TCL: Center of mass = 12.9053412736 -1.02265336201 0.259496193929 TCL: atom 1: phi = 0.13857534678 TCL: Center of mass = 12.9067169268 -1.02232052121 0.259722054829 TCL: atom 1: phi = 0.137492633643 TCL: Center of mass = 12.9080681613 -1.02204458085 0.259978913783 TCL: atom 1: phi = 0.136798047697 TCL: Center of mass = 12.9093514824 -1.02179792714 0.26024389801 TCL: atom 1: phi = 0.136178036512 TCL: Center of mass = 12.910591545 -1.02158122577 0.260515957749 TCL: atom 1: phi = 0.136025190521 TCL: Center of mass = 12.9117617368 -1.02137020077 0.260791904118 TCL: atom 1: phi = 0.136026558636 TCL: Center of mass = 12.9129041316 -1.02118490348 0.261078835239 TCL: atom 1: phi = 0.136390030564 TCL: Center of mass = 12.9139788098 -1.020961742 0.261351438068 TCL: atom 1: phi = 0.136787397091 TCL: Center of mass = 12.9150396953 -1.02074994425 0.261615677824 TCL: atom 1: phi = 0.13740084777 TCL: Center of mass = 12.9160470163 -1.02053071215 0.26185386039 TCL: atom 1: phi = 0.137944962435 TCL: Center of mass = 12.9170270456 -1.02032413783 0.262088881284 TCL: atom 1: phi = 0.138679718314 TCL: Center of mass = 12.9179765576 -1.02010885933 0.262336117714 TCL: atom 1: phi = 0.13924933381 TCL: Center of mass = 12.918887386 -1.01992699835 0.262573539308 TCL: atom 1: phi = 0.139907671588 TCL: Center of mass = 12.9197566026 -1.01974924269 0.262781967392 TCL: atom 1: phi = 0.140348790626 TCL: Center of mass = 12.9206344685 -1.01956766507 0.262983555362 TCL: atom 1: phi = 0.140850869052 TCL: Center of mass = 12.9215030467 -1.01939691682 0.263154649022 TCL: atom 1: phi = 0.141147690247 TCL: Center of mass = 12.9224014197 -1.01923405945 0.263298487116 TCL: atom 1: phi = 0.141543643672 TCL: Center of mass = 12.923310041 -1.01904383248 0.263446581091 TCL: atom 1: phi = 0.141666641334 TCL: Center of mass = 12.9242502019 -1.01884964442 0.263606108229 TCL: atom 1: phi = 0.141830112386 TCL: Center of mass = 12.9251956161 -1.0186307725 0.263742480013 TCL: atom 1: phi = 0.141753258256 TCL: Center of mass = 12.9261633424 -1.01840821917 0.26389413698 TCL: atom 1: phi = 0.141703631888 TCL: Center of mass = 12.9271172361 -1.0181716535 0.264057772643 TCL: atom 1: phi = 0.141482416489 TCL: Center of mass = 12.9280537318 -1.01793570704 0.264228664047 TCL: atom 1: phi = 0.141351009438 TCL: Center of mass = 12.9289718485 -1.01774628362 0.264395354927 TCL: atom 1: phi = 0.141112663773 TCL: Center of mass = 12.9299307303 -1.01755419979 0.264564982655 TCL: atom 1: phi = 0.141080130836 TCL: Center of mass = 12.9309145549 -1.0173957531 0.264722412767 TCL: atom 1: phi = 0.141081135557 TCL: Center of mass = 12.931968032 -1.01726583797 0.264854448652 TCL: atom 1: phi = 0.141310789545 TCL: Center of mass = 12.9330404247 -1.01716989662 0.26496353565 TCL: atom 1: phi = 0.141453763296 TCL: Center of mass = 12.9341391094 -1.01707354895 0.265055985399 TCL: atom 1: phi = 0.141767756897 TCL: Center of mass = 12.9352191462 -1.01696554205 0.265139819049 TCL: atom 1: phi = 0.141973694572 TCL: Center of mass = 12.9362970908 -1.01683155762 0.265206293604 TCL: atom 1: phi = 0.142304183103 TCL: Center of mass = 12.9373242049 -1.01668697892 0.265286038418 TCL: atom 1: phi = 0.142450609677 TCL: Center of mass = 12.9383387187 -1.01655036807 0.265354793311 TCL: atom 1: phi = 0.14260879722 TCL: Center of mass = 12.9393346203 -1.01640693196 0.265406853658 TCL: atom 1: phi = 0.14262865657 TCL: Center of mass = 12.940348452 -1.01628299805 0.265446035779 TCL: atom 1: phi = 0.142757177678 TCL: Center of mass = 12.9413875166 -1.01617314665 0.265470791678 TCL: atom 1: phi = 0.142806204937 TCL: Center of mass = 12.9424848822 -1.01611401746 0.26547381043 TCL: atom 1: phi = 0.143012010597 TCL: Center of mass = 12.943608259 -1.01608412695 0.265470562213 TCL: atom 1: phi = 0.143169262461 TCL: Center of mass = 12.944771615 -1.01609012968 0.265456676698 TCL: atom 1: phi = 0.14351433999 TCL: Center of mass = 12.9459267976 -1.01609544178 0.265458262578 TCL: atom 1: phi = 0.1438200825 TCL: Center of mass = 12.9470529527 -1.01609241864 0.265450915532 TCL: atom 1: phi = 0.144300691338 TCL: Center of mass = 12.9481387853 -1.01606514404 0.26543404694 TCL: atom 1: phi = 0.144820845812 TCL: Center of mass = 12.9491910075 -1.01602968059 0.265427671878 TCL: atom 1: phi = 0.145633817132 TCL: Center of mass = 12.9501985945 -1.01597803252 0.265430023225 TCL: atom 1: phi = 0.146550759154 TCL: Center of mass = 12.9512148961 -1.0159344999 0.265422956061 TCL: atom 1: phi = 0.147783621468 TCL: Center of mass = 12.9522426382 -1.01590935596 0.26541359885 TCL: atom 1: phi = 0.149171852633 TCL: Center of mass = 12.9533117504 -1.01593978161 0.265402468736 TCL: atom 1: phi = 0.1509165578 TCL: Center of mass = 12.9543825074 -1.01601215203 0.265382709127 TCL: atom 1: phi = 0.15274128513 TCL: Center of mass = 12.9554629694 -1.01611374002 0.265356436389 TCL: atom 1: phi = 0.154804099663 TCL: Center of mass = 12.9565121306 -1.01622363072 0.265338652799 TCL: atom 1: phi = 0.156844896963 TCL: Center of mass = 12.9575345016 -1.01633612271 0.265326593882 TCL: atom 1: phi = 0.158983542514 TCL: Center of mass = 12.9584994137 -1.01641876008 0.265328874312 TCL: atom 1: phi = 0.160858010463 TCL: Center of mass = 12.9594160226 -1.01647976016 0.265337820269 TCL: atom 1: phi = 0.162745869208 TCL: Center of mass = 12.9602907308 -1.01650108187 0.265347795351 TCL: atom 1: phi = 0.164325472171 TCL: Center of mass = 12.961176978 -1.01650521727 0.265345522068 TCL: atom 1: phi = 0.165885886061 TCL: Center of mass = 12.9620813161 -1.01651763448 0.265356304814 TCL: atom 1: phi = 0.167105245673 TCL: Center of mass = 12.9630446758 -1.01654290292 0.265360302956 TCL: atom 1: phi = 0.168313824049 TCL: Center of mass = 12.9640510747 -1.01659980049 0.265381968656 TCL: atom 1: phi = 0.169186617518 TCL: Center of mass = 12.9650998581 -1.01667152296 0.265417759026 TCL: atom 1: phi = 0.170151143945 TCL: Center of mass = 12.9661472154 -1.01674738495 0.265451032465 TCL: atom 1: phi = 0.170811023228 TCL: Center of mass = 12.9671963427 -1.01682729116 0.265504537542 TCL: atom 1: phi = 0.171512816033 TCL: Center of mass = 12.9681995811 -1.01690278277 0.265567990073 TCL: atom 1: phi = 0.171950391646 TCL: Center of mass = 12.9691861312 -1.01695559204 0.265643639973 TCL: atom 1: phi = 0.172519120758 TCL: Center of mass = 12.9701698614 -1.01696368174 0.265720735995 TCL: atom 1: phi = 0.172907376993 TCL: Center of mass = 12.9711884164 -1.01694936946 0.26579690129 TCL: atom 1: phi = 0.173507960064 TCL: Center of mass = 12.9722501632 -1.01689854321 0.265854066019 TCL: atom 1: phi = 0.174045139547 TCL: Center of mass = 12.9733697046 -1.01685414005 0.265895744782 TCL: atom 1: phi = 0.174809493276 TCL: Center of mass = 12.9745455416 -1.01681052929 0.265930594967 TCL: atom 1: phi = 0.175537167908 TCL: Center of mass = 12.9757812514 -1.01680533872 0.265980073811 TCL: atom 1: phi = 0.176534972335 TCL: Center of mass = 12.9770346123 -1.01682111425 0.266059516139 TCL: atom 1: phi = 0.177354248559 TCL: Center of mass = 12.9782883511 -1.01684908086 0.266135788741 TCL: atom 1: phi = 0.178309524579 TCL: Center of mass = 12.9795006581 -1.01690118835 0.266232306794 TCL: atom 1: phi = 0.178934528146 TCL: Center of mass = 12.9807024492 -1.01696870672 0.266360610354 TCL: atom 1: phi = 0.17961748411 TCL: Center of mass = 12.9818901811 -1.01702320464 0.266481124106 TCL: atom 1: phi = 0.179890685281 TCL: Center of mass = 12.9830909357 -1.0170700524 0.266582800809 TCL: atom 1: phi = 0.180097034968 TCL: Center of mass = 12.9843477924 -1.01711219764 0.266648078306 TCL: atom 1: phi = 0.179885384924 TCL: Center of mass = 12.9856474992 -1.01714007556 0.266682605975 TCL: atom 1: phi = 0.17966190718 TCL: Center of mass = 12.9869931193 -1.01716676001 0.266702466511 TCL: atom 1: phi = 0.179055690347 TCL: Center of mass = 12.9883983275 -1.0171978229 0.266736433493 TCL: atom 1: phi = 0.178519066223 TCL: Center of mass = 12.9898315089 -1.01722689919 0.266781735998 TCL: atom 1: phi = 0.177624398044 TCL: Center of mass = 12.991272647 -1.0172785003 0.266833335348 TCL: atom 1: phi = 0.176767474073 TCL: Center of mass = 12.992697898 -1.01734514737 0.266926061796 TCL: atom 1: phi = 0.175539917871 TCL: Center of mass = 12.9941107055 -1.01744075546 0.267030753183 TCL: atom 1: phi = 0.174425675117 TCL: Center of mass = 12.9955030587 -1.01752105991 0.267124128977 TCL: atom 1: phi = 0.173091420974 TCL: Center of mass = 12.9968809243 -1.01759547409 0.267233051158 TCL: atom 1: phi = 0.171901806171 TCL: Center of mass = 12.9982547391 -1.01764303603 0.267350738273 TCL: atom 1: phi = 0.170596787674 TCL: Center of mass = 12.9996496818 -1.0176931434 0.26746563485 TCL: atom 1: phi = 0.169495197586 TCL: Center of mass = 13.0010438979 -1.01772053746 0.267579781337 TCL: atom 1: phi = 0.168312714216 TCL: Center of mass = 13.0024476801 -1.01775291162 0.267687570347 TCL: atom 1: phi = 0.167315629497 TCL: Center of mass = 13.0038417237 -1.01778287317 0.267796495864 TCL: atom 1: phi = 0.166212141409 TCL: Center of mass = 13.0052307034 -1.01781881359 0.267921628773 TCL: atom 1: phi = 0.165224159916 TCL: Center of mass = 13.0065871393 -1.01784651571 0.268066870178 TCL: atom 1: phi = 0.164068391979 TCL: Center of mass = 13.0079435476 -1.01788246683 0.268206522031 TCL: atom 1: phi = 0.162986929895 TCL: Center of mass = 13.0092747138 -1.01793328059 0.268345876714 TCL: atom 1: phi = 0.161639804875 WRITING COORDINATES TO DCD FILE AT STEP 9700 WRITING COORDINATES TO RESTART FILE AT STEP 9700 FINISHED WRITING RESTART COORDINATES TIMING: 9700 CPU: 517.311, 0.0535319/step Wall: 619.615, 0.0630659/step, 0.180439 hours remaining, 13608 kB of memory in use. ENERGY: 9700 3391.0075 2469.0548 380.4444 39.8181 -44632.0829 4153.2075 0.0000 0.0000 9747.9194 -24450.6312 288.9680 -24300.8174 -24316.4052 290.1819 1830.2551 -926.0116 125000.0000 -1193.9513 -1196.2207 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9700 WRITING VELOCITIES TO RESTART FILE AT STEP 9700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.0105966336 -1.0179953049 0.268483492819 TCL: atom 1: phi = 0.160364647754 TCL: Center of mass = 13.0119438933 -1.01803765594 0.26861644309 TCL: atom 1: phi = 0.158945173032 TCL: Center of mass = 13.0133274975 -1.01806771089 0.268736115271 TCL: atom 1: phi = 0.15762679769 TCL: Center of mass = 13.0147477025 -1.01808220509 0.268848987415 TCL: atom 1: phi = 0.156199505658 TCL: Center of mass = 13.0162187101 -1.01808149033 0.268955421871 TCL: atom 1: phi = 0.154918403094 TCL: Center of mass = 13.0177225125 -1.01804650741 0.269038009308 TCL: atom 1: phi = 0.153615848069 TCL: Center of mass = 13.0192526336 -1.01800209118 0.269139295038 TCL: atom 1: phi = 0.152435490807 TCL: Center of mass = 13.0207959132 -1.01794679419 0.26924921907 TCL: atom 1: phi = 0.151350699842 TCL: Center of mass = 13.0223725685 -1.01792778167 0.26935425843 TCL: atom 1: phi = 0.150525222751 TCL: Center of mass = 13.0239511454 -1.01793255397 0.269456032885 TCL: atom 1: phi = 0.14980440594 TCL: Center of mass = 13.0255504756 -1.01795887941 0.269572660598 TCL: atom 1: phi = 0.149397084598 TCL: Center of mass = 13.0271798854 -1.0179998461 0.269683134324 TCL: atom 1: phi = 0.149143040685 TCL: Center of mass = 13.0288460047 -1.01806100209 0.269820594055 TCL: atom 1: phi = 0.149172755973 TCL: Center of mass = 13.0305404377 -1.01812710465 0.269957988948 TCL: atom 1: phi = 0.149400816033 TCL: Center of mass = 13.0322549506 -1.01819401469 0.270101378909 TCL: atom 1: phi = 0.149943967204 TCL: Center of mass = 13.0339567615 -1.01824405823 0.270234973284 TCL: atom 1: phi = 0.150594076055 TCL: Center of mass = 13.0356240543 -1.0182841085 0.270371695093 TCL: atom 1: phi = 0.151378105591 TCL: Center of mass = 13.0372673806 -1.01831578289 0.270484523691 TCL: atom 1: phi = 0.152058418876 TCL: Center of mass = 13.0388980398 -1.01835736968 0.270559742118 TCL: atom 1: phi = 0.152787806 TCL: Center of mass = 13.0405216463 -1.01840105967 0.27061303409 TCL: atom 1: phi = 0.153266696058 TCL: Center of mass = 13.0421603734 -1.01847397266 0.270650864776 TCL: atom 1: phi = 0.153694839109 TCL: Center of mass = 13.0438305175 -1.01856537019 0.270685864684 TCL: atom 1: phi = 0.153901880232 TCL: Center of mass = 13.045539969 -1.01867806202 0.270725859527 TCL: atom 1: phi = 0.154009300509 TCL: Center of mass = 13.04727879 -1.01880986337 0.270768229773 TCL: atom 1: phi = 0.153780954542 TCL: Center of mass = 13.0490409115 -1.01893971439 0.270814281635 TCL: atom 1: phi = 0.153473640578 TCL: Center of mass = 13.0507950981 -1.01904647699 0.270852404334 TCL: atom 1: phi = 0.152932713081 TCL: Center of mass = 13.0525636235 -1.01910842144 0.270910056706 TCL: atom 1: phi = 0.152347172367 TCL: Center of mass = 13.0543302277 -1.01913514917 0.270923302844 TCL: atom 1: phi = 0.151655820511 TCL: Center of mass = 13.0561026453 -1.01914598673 0.270912516294 TCL: atom 1: phi = 0.150954129023 TCL: Center of mass = 13.0579013673 -1.01912786931 0.27088898812 TCL: atom 1: phi = 0.150146138901 TCL: Center of mass = 13.0597364608 -1.01911170644 0.270839922446 TCL: atom 1: phi = 0.149398259442 TCL: Center of mass = 13.0616140281 -1.01911187188 0.27078465056 TCL: atom 1: phi = 0.148663918053 TCL: Center of mass = 13.0635478974 -1.01911598415 0.270735610162 TCL: atom 1: phi = 0.148082920998 TCL: Center of mass = 13.0654870769 -1.0191515069 0.270697262985 TCL: atom 1: phi = 0.147601321173 TCL: Center of mass = 13.0674113711 -1.01922420223 0.270698817863 TCL: atom 1: phi = 0.147366920084 TCL: Center of mass = 13.0692868828 -1.01930310998 0.270722910986 TCL: atom 1: phi = 0.147245858496 TCL: Center of mass = 13.0711110573 -1.01938748023 0.270751864325 TCL: atom 1: phi = 0.147296913761 TCL: Center of mass = 13.07287451 -1.01947204381 0.270779250017 TCL: atom 1: phi = 0.147414919763 TCL: Center of mass = 13.0746033891 -1.01956976501 0.270813560093 TCL: atom 1: phi = 0.14754862648 TCL: Center of mass = 13.0763144036 -1.01966778139 0.270817203256 TCL: atom 1: phi = 0.147599443411 TCL: Center of mass = 13.0780315836 -1.01978491547 0.27079586905 TCL: atom 1: phi = 0.14760724035 TCL: Center of mass = 13.0797601949 -1.01990962954 0.27075202503 TCL: atom 1: phi = 0.147499988171 TCL: Center of mass = 13.0814962264 -1.02009421705 0.270709150902 TCL: atom 1: phi = 0.147388887459 TCL: Center of mass = 13.0832139095 -1.0203241413 0.270673038248 TCL: atom 1: phi = 0.147101850457 TCL: Center of mass = 13.0849064024 -1.02058375292 0.270654679825 TCL: atom 1: phi = 0.146791306085 TCL: Center of mass = 13.0865394492 -1.02085542646 0.270670355369 TCL: atom 1: phi = 0.146368010177 TCL: Center of mass = 13.0881137367 -1.02111069197 0.27071737897 TCL: atom 1: phi = 0.145974794529 TCL: Center of mass = 13.0896584557 -1.02134570195 0.270774998515 TCL: atom 1: phi = 0.145529537359 TCL: Center of mass = 13.0911938494 -1.02155991109 0.270856282593 TCL: atom 1: phi = 0.14509501175 TCL: Center of mass = 13.0927231052 -1.02173602361 0.270939020243 TCL: atom 1: phi = 0.144646366505 TCL: Center of mass = 13.0943006526 -1.02188410337 0.271015689038 TCL: atom 1: phi = 0.144249031439 TCL: Center of mass = 13.0959233455 -1.02203201493 0.271121191377 TCL: atom 1: phi = 0.143802982552 TCL: Center of mass = 13.0975900341 -1.02218177105 0.271241004973 TCL: atom 1: phi = 0.143455160271 TCL: Center of mass = 13.099305719 -1.0223161129 0.271386085232 TCL: atom 1: phi = 0.143184320914 TCL: Center of mass = 13.1010633898 -1.02244711105 0.271566514897 TCL: atom 1: phi = 0.14315537102 TCL: Center of mass = 13.1027824987 -1.02256621215 0.271799457395 TCL: atom 1: phi = 0.143268851592 TCL: Center of mass = 13.1045067287 -1.02267307466 0.272069845838 TCL: atom 1: phi = 0.143598935439 TCL: Center of mass = 13.1061889272 -1.0227566175 0.272360890752 TCL: atom 1: phi = 0.144013981412 TCL: Center of mass = 13.1078458777 -1.02279641788 0.272673851946 TCL: atom 1: phi = 0.144576592406 TCL: Center of mass = 13.1094778971 -1.02282041447 0.273006981959 TCL: atom 1: phi = 0.145071410691 TCL: Center of mass = 13.1111417492 -1.02281316387 0.273334579191 TCL: atom 1: phi = 0.145581104723 TCL: Center of mass = 13.1128087217 -1.02279266888 0.273650302294 TCL: atom 1: phi = 0.145967057334 TCL: Center of mass = 13.1145200988 -1.02277273047 0.273971051813 TCL: atom 1: phi = 0.146366017243 TCL: Center of mass = 13.1162404857 -1.02276965375 0.274283098256 TCL: atom 1: phi = 0.146572533414 TCL: Center of mass = 13.1179677986 -1.02277326858 0.274611213442 TCL: atom 1: phi = 0.146794072856 TCL: Center of mass = 13.1196506496 -1.02280050716 0.274965344933 TCL: atom 1: phi = 0.146824764267 TCL: Center of mass = 13.1213076597 -1.02285507129 0.275325700729 TCL: atom 1: phi = 0.146777013515 TCL: Center of mass = 13.1228893432 -1.02292146578 0.275691908694 TCL: atom 1: phi = 0.146567335885 TCL: Center of mass = 13.1244654082 -1.02298200932 0.276053999929 TCL: atom 1: phi = 0.146208490075 TCL: Center of mass = 13.1260095768 -1.02304859111 0.276424935237 TCL: atom 1: phi = 0.145601870772 TCL: Center of mass = 13.127590533 -1.0231075456 0.276790877587 TCL: atom 1: phi = 0.144856933048 TCL: Center of mass = 13.1291650419 -1.02316046801 0.277157725562 TCL: atom 1: phi = 0.144004483042 TCL: Center of mass = 13.130802987 -1.02322605236 0.277539384886 TCL: atom 1: phi = 0.143201372524 TCL: Center of mass = 13.1324285703 -1.023300769 0.277921093167 TCL: atom 1: phi = 0.142442323555 TCL: Center of mass = 13.1340760594 -1.02338327376 0.278317094329 TCL: atom 1: phi = 0.141986480142 TCL: Center of mass = 13.1356807249 -1.02347386426 0.278707202948 TCL: atom 1: phi = 0.141727180796 TCL: Center of mass = 13.1372672549 -1.023576417 0.279090584844 TCL: atom 1: phi = 0.141806824717 TCL: Center of mass = 13.1387942343 -1.02368910775 0.279437881143 TCL: atom 1: phi = 0.142101397138 TCL: Center of mass = 13.1403196382 -1.02379485948 0.279782076797 TCL: atom 1: phi = 0.142612423277 TCL: Center of mass = 13.1418372902 -1.02389794863 0.28012670412 TCL: atom 1: phi = 0.143151684139 TCL: Center of mass = 13.1433471388 -1.02399503433 0.28045105855 TCL: atom 1: phi = 0.143762415922 TCL: Center of mass = 13.1448257268 -1.02408899379 0.280776633288 TCL: atom 1: phi = 0.144304958207 TCL: Center of mass = 13.1463066514 -1.02415180414 0.281107706111 TCL: atom 1: phi = 0.144966811175 TCL: Center of mass = 13.1477224252 -1.02418004886 0.281447057301 TCL: atom 1: phi = 0.145608128121 TCL: Center of mass = 13.1491319169 -1.02418639533 0.281795943577 TCL: atom 1: phi = 0.146348834986 TCL: Center of mass = 13.1504741184 -1.02417607973 0.282150227027 TCL: atom 1: phi = 0.14710726998 TCL: Center of mass = 13.1517889075 -1.02416232811 0.282516245051 TCL: atom 1: phi = 0.147951332353 TCL: Center of mass = 13.1530299187 -1.02414493552 0.282888018225 TCL: atom 1: phi = 0.148758438047 TCL: Center of mass = 13.1542519767 -1.02414241739 0.283273038546 TCL: atom 1: phi = 0.149606683573 TCL: Center of mass = 13.1554473588 -1.0241580998 0.283644206665 TCL: atom 1: phi = 0.150352109731 TCL: Center of mass = 13.1566698506 -1.02421531924 0.284024444509 TCL: atom 1: phi = 0.151028708254 TCL: Center of mass = 13.1578606101 -1.02429286563 0.284407992744 TCL: atom 1: phi = 0.151553685707 TCL: Center of mass = 13.1590490708 -1.02437138921 0.284798701643 TCL: atom 1: phi = 0.152082666769 TCL: Center of mass = 13.1601992738 -1.02443043235 0.285194210835 TCL: atom 1: phi = 0.15261567082 TCL: Center of mass = 13.1613314514 -1.02447901552 0.285603853785 TCL: atom 1: phi = 0.153358171492 TCL: Center of mass = 13.1624301068 -1.02451228391 0.286015141768 TCL: atom 1: phi = 0.154198493762 TCL: Center of mass = 13.1635317227 -1.0245132381 0.286452154465 TCL: atom 1: phi = 0.155312114635 TCL: Center of mass = 13.1645949886 -1.02450021164 0.286892496715 TCL: atom 1: phi = 0.156432279683 TCL: Center of mass = 13.1656879272 -1.02450489025 0.287332174047 TCL: atom 1: phi = 0.157703052151 TCL: Center of mass = 13.1667849501 -1.02453528521 0.287769015423 TCL: atom 1: phi = 0.158884453228 TIMING: 9800 CPU: 522.664, 0.0535219/step Wall: 625.908, 0.0629349/step, 0.178315 hours remaining, 13608 kB of memory in use. ENERGY: 9800 3380.5293 2504.4346 382.1587 40.4698 -44773.2656 4261.7692 0.0000 0.0000 9779.9505 -24423.9533 289.9175 -24275.2196 -24286.4261 290.0140 2075.5266 -819.8888 125000.0000 -867.9605 -869.7753 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9800 WRITING COORDINATES TO DCD FILE AT STEP 9800 WRITING COORDINATES TO RESTART FILE AT STEP 9800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.1679133197 -1.02460465146 0.288205119429 TCL: atom 1: phi = 0.160156953501 TCL: Center of mass = 13.1690706112 -1.02469704381 0.288623690026 TCL: atom 1: phi = 0.161235576235 TCL: Center of mass = 13.1702621774 -1.0248126693 0.289033131017 TCL: atom 1: phi = 0.162346424604 TCL: Center of mass = 13.1714432071 -1.02493549048 0.289425515731 TCL: atom 1: phi = 0.163240831222 TCL: Center of mass = 13.1726290053 -1.02503390617 0.28982392238 TCL: atom 1: phi = 0.16428998881 TCL: Center of mass = 13.1737916165 -1.02508883805 0.290223498037 TCL: atom 1: phi = 0.165160067724 TCL: Center of mass = 13.1749651884 -1.02511397698 0.290621667715 TCL: atom 1: phi = 0.16609408822 TCL: Center of mass = 13.1761195361 -1.02510688899 0.291006966758 TCL: atom 1: phi = 0.166775704707 TCL: Center of mass = 13.1773091475 -1.02507750487 0.291374150067 TCL: atom 1: phi = 0.16742862977 TCL: Center of mass = 13.1785183425 -1.0250436762 0.291713220429 TCL: atom 1: phi = 0.16766593317 TCL: Center of mass = 13.1797910556 -1.02502184197 0.29203031345 TCL: atom 1: phi = 0.16776822473 TCL: Center of mass = 13.1810920761 -1.0250072849 0.292335043604 TCL: atom 1: phi = 0.167360470024 TCL: Center of mass = 13.1824271517 -1.02502387273 0.292638024382 TCL: atom 1: phi = 0.166855366709 TCL: Center of mass = 13.1837724847 -1.02504762489 0.292939720938 TCL: atom 1: phi = 0.165987066497 TCL: Center of mass = 13.1851066296 -1.02505932305 0.293265264696 TCL: atom 1: phi = 0.165156210054 TCL: Center of mass = 13.1863940654 -1.02504605927 0.293594686397 TCL: atom 1: phi = 0.164118356262 TCL: Center of mass = 13.18769095 -1.0250128899 0.29394323594 TCL: atom 1: phi = 0.163302072466 TCL: Center of mass = 13.1889488801 -1.02493403143 0.294289853899 TCL: atom 1: phi = 0.162395223072 TCL: Center of mass = 13.1901951408 -1.02484493799 0.294648007362 TCL: atom 1: phi = 0.161696517373 TCL: Center of mass = 13.191445628 -1.02476959507 0.294991593385 TCL: atom 1: phi = 0.160880194356 TCL: Center of mass = 13.1927322526 -1.02469730899 0.295342484103 TCL: atom 1: phi = 0.160240754347 TCL: Center of mass = 13.1940429183 -1.0246645469 0.295685039619 TCL: atom 1: phi = 0.15955247754 TCL: Center of mass = 13.1953673484 -1.02468159964 0.296045415236 TCL: atom 1: phi = 0.159135962465 TCL: Center of mass = 13.1966643082 -1.02472972275 0.296386497882 TCL: atom 1: phi = 0.158745671687 TCL: Center of mass = 13.1979458672 -1.02478566977 0.29673330487 TCL: atom 1: phi = 0.158716166831 TCL: Center of mass = 13.1991883864 -1.02483878959 0.29709756901 TCL: atom 1: phi = 0.158877376901 TCL: Center of mass = 13.2004039207 -1.02488506231 0.297474100912 TCL: atom 1: phi = 0.159554561752 TCL: Center of mass = 13.2016049744 -1.02491937415 0.297839488281 TCL: atom 1: phi = 0.160396675939 TCL: Center of mass = 13.2028234876 -1.02494559997 0.298205560452 TCL: atom 1: phi = 0.161635388802 TCL: Center of mass = 13.204062617 -1.02494093935 0.298568720143 TCL: atom 1: phi = 0.162955986045 TCL: Center of mass = 13.2053125049 -1.0249342916 0.298920667781 TCL: atom 1: phi = 0.164495056307 TCL: Center of mass = 13.2065925595 -1.02493646476 0.299266086175 TCL: atom 1: phi = 0.165973197695 TCL: Center of mass = 13.2078890904 -1.02494260378 0.299608830613 TCL: atom 1: phi = 0.167643506072 TCL: Center of mass = 13.2091821933 -1.02497021717 0.299936907277 TCL: atom 1: phi = 0.169250996295 TCL: Center of mass = 13.2104713691 -1.02501668785 0.300261871995 TCL: atom 1: phi = 0.171045971083 TCL: Center of mass = 13.21174552 -1.02507942157 0.300579546404 TCL: atom 1: phi = 0.172838345936 TCL: Center of mass = 13.2130398405 -1.02514548146 0.300904875656 TCL: atom 1: phi = 0.174857993717 TCL: Center of mass = 13.2143245272 -1.02521387348 0.301212965919 TCL: atom 1: phi = 0.17697224052 TCL: Center of mass = 13.2156780842 -1.02527737034 0.301530055898 TCL: atom 1: phi = 0.179371250811 TCL: Center of mass = 13.2170644937 -1.02533413268 0.301830814166 TCL: atom 1: phi = 0.181663845744 TCL: Center of mass = 13.2185180341 -1.02538433509 0.302124753976 TCL: atom 1: phi = 0.184007403961 TCL: Center of mass = 13.2200304825 -1.02545020471 0.302393578093 TCL: atom 1: phi = 0.186079649766 TCL: Center of mass = 13.2215948101 -1.02551939556 0.302679908077 TCL: atom 1: phi = 0.188130663414 TCL: Center of mass = 13.2231495134 -1.02563931653 0.302969411129 TCL: atom 1: phi = 0.18985633268 TCL: Center of mass = 13.2247222758 -1.02579260476 0.303253809545 TCL: atom 1: phi = 0.191593708085 TCL: Center of mass = 13.2262808807 -1.02596852773 0.30355382015 TCL: atom 1: phi = 0.193052714177 TCL: Center of mass = 13.2278570006 -1.02617596632 0.303854694113 TCL: atom 1: phi = 0.194551991401 TCL: Center of mass = 13.2294306452 -1.02642455669 0.304178611302 TCL: atom 1: phi = 0.195809050178 TCL: Center of mass = 13.2310434473 -1.02670091835 0.304497810212 TCL: atom 1: phi = 0.19708391827 TCL: Center of mass = 13.2326634999 -1.02700840151 0.304806889454 TCL: atom 1: phi = 0.197994279379 TCL: Center of mass = 13.2343143831 -1.02734372563 0.305080910731 TCL: atom 1: phi = 0.198784585836 TCL: Center of mass = 13.2359981407 -1.02767591007 0.305360418421 TCL: atom 1: phi = 0.199090473795 TCL: Center of mass = 13.2377189171 -1.0280224728 0.30564643071 TCL: atom 1: phi = 0.199224039346 TCL: Center of mass = 13.2394322713 -1.02838928097 0.305937967491 TCL: atom 1: phi = 0.199003138133 TCL: Center of mass = 13.2411346019 -1.02874838161 0.306248701718 TCL: atom 1: phi = 0.198785349155 TCL: Center of mass = 13.2428138293 -1.02910346102 0.306572692551 TCL: atom 1: phi = 0.198433084296 TCL: Center of mass = 13.2444870719 -1.02947881835 0.306919943868 TCL: atom 1: phi = 0.198187810259 TCL: Center of mass = 13.2461912748 -1.02985201887 0.307264188041 TCL: atom 1: phi = 0.19795020828 TCL: Center of mass = 13.2479423402 -1.03020992273 0.307637391392 TCL: atom 1: phi = 0.197908830458 TCL: Center of mass = 13.2497178404 -1.03055138715 0.308009551137 TCL: atom 1: phi = 0.197831923517 TCL: Center of mass = 13.2515443207 -1.03087816689 0.308373255713 TCL: atom 1: phi = 0.197818535142 TCL: Center of mass = 13.2533923678 -1.03116650017 0.308728843768 TCL: atom 1: phi = 0.197722916701 TCL: Center of mass = 13.2552522268 -1.03143440586 0.30906638328 TCL: atom 1: phi = 0.197685109371 TCL: Center of mass = 13.2570983185 -1.03165129021 0.309400407294 TCL: atom 1: phi = 0.197528899912 TCL: Center of mass = 13.2589086863 -1.03184198044 0.309716122624 TCL: atom 1: phi = 0.197527789725 TCL: Center of mass = 13.2606945686 -1.0320073891 0.310021212443 TCL: atom 1: phi = 0.197574281155 TCL: Center of mass = 13.2624853619 -1.03215360898 0.310311280939 TCL: atom 1: phi = 0.197853960819 TCL: Center of mass = 13.2642799055 -1.03230608036 0.31059140178 TCL: atom 1: phi = 0.198243952637 TCL: Center of mass = 13.2661114369 -1.03248592299 0.310855558518 TCL: atom 1: phi = 0.198849311516 TCL: Center of mass = 13.2679885928 -1.03270563503 0.311109139481 TCL: atom 1: phi = 0.199438665603 TCL: Center of mass = 13.2699012072 -1.03296606385 0.311328537513 TCL: atom 1: phi = 0.20012869747 TCL: Center of mass = 13.2717989607 -1.03323136936 0.311511639294 TCL: atom 1: phi = 0.200681835439 TCL: Center of mass = 13.2736814496 -1.03350049069 0.311663904499 TCL: atom 1: phi = 0.201127166616 TCL: Center of mass = 13.2755034298 -1.03373346163 0.311783519564 TCL: atom 1: phi = 0.201353824151 TCL: Center of mass = 13.2772769744 -1.03395961375 0.311909717096 TCL: atom 1: phi = 0.201573687135 TCL: Center of mass = 13.2789987568 -1.03415329489 0.312045746606 TCL: atom 1: phi = 0.201643944457 TCL: Center of mass = 13.2807088572 -1.03431596513 0.312224448994 TCL: atom 1: phi = 0.201784362726 TCL: Center of mass = 13.2824369818 -1.03442867837 0.312425968471 TCL: atom 1: phi = 0.201850787981 TCL: Center of mass = 13.284199769 -1.03454296879 0.312668083153 TCL: atom 1: phi = 0.202072118856 TCL: Center of mass = 13.2860051909 -1.03462673094 0.312952103093 TCL: atom 1: phi = 0.202080820964 TCL: Center of mass = 13.2878601651 -1.0347246461 0.313276385966 TCL: atom 1: phi = 0.202094822054 TCL: Center of mass = 13.2897195542 -1.03478690246 0.313622283738 TCL: atom 1: phi = 0.201862454072 TCL: Center of mass = 13.2915690263 -1.03484894822 0.313973660297 TCL: atom 1: phi = 0.201533497931 TCL: Center of mass = 13.2933895172 -1.03484520012 0.31433318914 TCL: atom 1: phi = 0.200933909359 TCL: Center of mass = 13.2951680279 -1.03478481407 0.31469208683 TCL: atom 1: phi = 0.200316888365 TCL: Center of mass = 13.2969096404 -1.03466074542 0.315063594753 TCL: atom 1: phi = 0.199486779924 TCL: Center of mass = 13.2986814783 -1.03447868149 0.315459505109 TCL: atom 1: phi = 0.198779609007 TCL: Center of mass = 13.3004936653 -1.03424577569 0.315866864005 TCL: atom 1: phi = 0.197979999189 TCL: Center of mass = 13.3023490748 -1.03400596671 0.316285473459 TCL: atom 1: phi = 0.197321172206 TCL: Center of mass = 13.3042658886 -1.03376054193 0.316721504475 TCL: atom 1: phi = 0.196532804723 TCL: Center of mass = 13.3062476845 -1.03356276682 0.317182087701 TCL: atom 1: phi = 0.195740919275 TCL: Center of mass = 13.3082431533 -1.03337906672 0.317631513912 TCL: atom 1: phi = 0.194786713108 TCL: Center of mass = 13.3102552974 -1.03323970444 0.318063556257 TCL: atom 1: phi = 0.193810514165 TCL: Center of mass = 13.3122331062 -1.0330985329 0.318450036244 TCL: atom 1: phi = 0.192632212986 TCL: Center of mass = 13.3141879137 -1.03295570206 0.318842118968 TCL: atom 1: phi = 0.191481184129 TCL: Center of mass = 13.3160900792 -1.03279489697 0.319176162109 TCL: atom 1: phi = 0.190258856807 TCL: Center of mass = 13.3179821221 -1.03260386124 0.319476794305 TCL: atom 1: phi = 0.189275143004 TCL: Center of mass = 13.3198498008 -1.03238904122 0.319739383858 TCL: atom 1: phi = 0.188371023173 TCL: Center of mass = 13.3217399663 -1.03217097506 0.319995982039 TCL: atom 1: phi = 0.187717166134 TCL: Center of mass = 13.3236444695 -1.03196057793 0.320247916308 TCL: atom 1: phi = 0.187110240842 WRITING COORDINATES TO DCD FILE AT STEP 9900 WRITING COORDINATES TO RESTART FILE AT STEP 9900 FINISHED WRITING RESTART COORDINATES TIMING: 9900 CPU: 528.025, 0.0536119/step Wall: 632.286, 0.0637746/step, 0.178923 hours remaining, 13608 kB of memory in use. ENERGY: 9900 3266.6593 2502.2007 393.0340 42.3537 -44539.9030 4113.3374 0.0000 0.0000 9793.6904 -24428.6276 290.3248 -24280.2416 -24290.7978 290.3162 2186.7810 -1000.1550 125000.0000 -982.0851 -988.1612 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9900 WRITING VELOCITIES TO RESTART FILE AT STEP 9900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.3256126814 -1.03176963703 0.320505122565 TCL: atom 1: phi = 0.186724329874 TCL: Center of mass = 13.3275955584 -1.03157682869 0.32076192312 TCL: atom 1: phi = 0.186390954665 TCL: Center of mass = 13.3295989725 -1.03140088039 0.321036906784 TCL: atom 1: phi = 0.186281036889 TCL: Center of mass = 13.3315789481 -1.03122429876 0.321277966467 TCL: atom 1: phi = 0.186188984844 TCL: Center of mass = 13.3335338319 -1.0310494198 0.321532600126 TCL: atom 1: phi = 0.186245698007 TCL: Center of mass = 13.3354584737 -1.03083573413 0.321738831118 TCL: atom 1: phi = 0.186321595056 TCL: Center of mass = 13.3373697697 -1.0306057209 0.32191266813 TCL: atom 1: phi = 0.186655448969 TCL: Center of mass = 13.3392701584 -1.03033149785 0.322042292323 TCL: atom 1: phi = 0.187082970396 TCL: Center of mass = 13.3411966539 -1.03005083853 0.322140731772 TCL: atom 1: phi = 0.187746404068 TCL: Center of mass = 13.3431429898 -1.02974806083 0.32221562963 TCL: atom 1: phi = 0.1884423854 TCL: Center of mass = 13.3451148026 -1.02948123017 0.322284162917 TCL: atom 1: phi = 0.189241131603 TCL: Center of mass = 13.3470967717 -1.02923534058 0.32238096973 TCL: atom 1: phi = 0.189878800952 TCL: Center of mass = 13.3490836006 -1.02903516061 0.322485876808 TCL: atom 1: phi = 0.190468006124 TCL: Center of mass = 13.3510484139 -1.02886969801 0.322598848732 TCL: atom 1: phi = 0.190797109574 TCL: Center of mass = 13.3530161706 -1.02874358451 0.322708113265 TCL: atom 1: phi = 0.191060927037 TCL: Center of mass = 13.354964697 -1.02864016485 0.322798892554 TCL: atom 1: phi = 0.191141073133 TCL: Center of mass = 13.3569096472 -1.02857148316 0.322851886635 TCL: atom 1: phi = 0.191253936311 TCL: Center of mass = 13.3588328942 -1.02850817441 0.322836537394 TCL: atom 1: phi = 0.191297857348 TCL: Center of mass = 13.3607594602 -1.02844844963 0.322777520224 TCL: atom 1: phi = 0.191439395876 TCL: Center of mass = 13.3626618111 -1.028381894 0.322660991575 TCL: atom 1: phi = 0.191467764894 TCL: Center of mass = 13.3645311456 -1.02833198039 0.322536501184 TCL: atom 1: phi = 0.191593026465 TCL: Center of mass = 13.3663716684 -1.02825880136 0.322390265782 TCL: atom 1: phi = 0.191629057335 TCL: Center of mass = 13.3682123041 -1.02821106361 0.32226190954 TCL: atom 1: phi = 0.191773543896 TCL: Center of mass = 13.3700064277 -1.02815790612 0.322148090809 TCL: atom 1: phi = 0.191801575857 TCL: Center of mass = 13.3717704961 -1.02812820528 0.322067207729 TCL: atom 1: phi = 0.191949915383 TCL: Center of mass = 13.3735077211 -1.02811136069 0.322012463733 TCL: atom 1: phi = 0.192010456797 TCL: Center of mass = 13.3752545618 -1.02810487329 0.321973659863 TCL: atom 1: phi = 0.192264503391 TCL: Center of mass = 13.3770106707 -1.02810798846 0.321928127 TCL: atom 1: phi = 0.192495984859 TCL: Center of mass = 13.3788058662 -1.02809973721 0.321898827906 TCL: atom 1: phi = 0.192942437876 TCL: Center of mass = 13.3805885251 -1.02806674459 0.321866962698 TCL: atom 1: phi = 0.193361928398 TCL: Center of mass = 13.3823561689 -1.0279958351 0.321819930458 TCL: atom 1: phi = 0.193929195816 TCL: Center of mass = 13.3841080447 -1.02788060897 0.321768190048 TCL: atom 1: phi = 0.194379723607 TCL: Center of mass = 13.3858317841 -1.0277279523 0.321741553123 TCL: atom 1: phi = 0.194874895314 TCL: Center of mass = 13.3875259858 -1.02756986532 0.321693475361 TCL: atom 1: phi = 0.195146722447 TCL: Center of mass = 13.3892248043 -1.02741521092 0.321652959767 TCL: atom 1: phi = 0.195360820765 TCL: Center of mass = 13.3909198113 -1.02727551685 0.321594269581 TCL: atom 1: phi = 0.195279665616 TCL: Center of mass = 13.3926617191 -1.02714604247 0.321523710264 TCL: atom 1: phi = 0.195065118192 TCL: Center of mass = 13.3944250839 -1.02702373637 0.321430696871 TCL: atom 1: phi = 0.194638306579 TCL: Center of mass = 13.3962585591 -1.02689956393 0.321335054846 TCL: atom 1: phi = 0.194242109193 TCL: Center of mass = 13.3980951069 -1.02677122188 0.321197327083 TCL: atom 1: phi = 0.193545964313 TCL: Center of mass = 13.3999377807 -1.02663602783 0.321006848533 TCL: atom 1: phi = 0.192798347995 TCL: Center of mass = 13.4017538459 -1.02647760244 0.320760447313 TCL: atom 1: phi = 0.191805000623 TCL: Center of mass = 13.4035123234 -1.02628384452 0.320464307213 TCL: atom 1: phi = 0.190752892292 TCL: Center of mass = 13.405187767 -1.02607875096 0.320136559756 TCL: atom 1: phi = 0.189476426183 TCL: Center of mass = 13.4068273072 -1.02587033083 0.319791415508 TCL: atom 1: phi = 0.188195149081 TCL: Center of mass = 13.40844358 -1.02565423201 0.319417036531 TCL: atom 1: phi = 0.186831376129 TCL: Center of mass = 13.4100735692 -1.02543009474 0.31903020511 TCL: atom 1: phi = 0.185641460725 TCL: Center of mass = 13.4117656734 -1.02520428896 0.31862533465 TCL: atom 1: phi = 0.184526680758 TCL: Center of mass = 13.413501385 -1.02499303955 0.318195692478 TCL: atom 1: phi = 0.183729379462 TCL: Center of mass = 13.4152801734 -1.02476891042 0.317748611159 TCL: atom 1: phi = 0.183060808749 TCL: Center of mass = 13.4170805331 -1.02453987039 0.317312479957 TCL: atom 1: phi = 0.182691878541 TCL: Center of mass = 13.4188502437 -1.02428078858 0.31688856371 TCL: atom 1: phi = 0.182431260639 TCL: Center of mass = 13.4205796616 -1.02398305836 0.31648089113 TCL: atom 1: phi = 0.182381413788 TCL: Center of mass = 13.4222750139 -1.02365338021 0.316065681404 TCL: atom 1: phi = 0.182299511599 TCL: Center of mass = 13.4239503846 -1.0232723269 0.315665684158 TCL: atom 1: phi = 0.182336262192 TCL: Center of mass = 13.4256193535 -1.02287695409 0.315259883426 TCL: atom 1: phi = 0.182314677022 TCL: Center of mass = 13.4273278545 -1.02248297421 0.31486846891 TCL: atom 1: phi = 0.182384891614 TCL: Center of mass = 13.4290676975 -1.0220599659 0.314489219531 TCL: atom 1: phi = 0.182384126408 TCL: Center of mass = 13.4308718118 -1.02165039429 0.314142724184 TCL: atom 1: phi = 0.182479702057 TCL: Center of mass = 13.4327015344 -1.02125591003 0.313814054033 TCL: atom 1: phi = 0.182444870388 TCL: Center of mass = 13.4345568865 -1.02087671427 0.313502833274 TCL: atom 1: phi = 0.182364821291 TCL: Center of mass = 13.4363746649 -1.02049530852 0.313175478871 TCL: atom 1: phi = 0.182082452693 TCL: Center of mass = 13.43815175 -1.02009148178 0.312837304516 TCL: atom 1: phi = 0.181784316219 TCL: Center of mass = 13.439852378 -1.01966842271 0.312474221125 TCL: atom 1: phi = 0.181286908339 TCL: Center of mass = 13.4415034008 -1.01924079498 0.31208771713 TCL: atom 1: phi = 0.180805785712 TCL: Center of mass = 13.4431105488 -1.01880323338 0.311648248806 TCL: atom 1: phi = 0.180156923909 TCL: Center of mass = 13.4447188592 -1.01834577136 0.311188421638 TCL: atom 1: phi = 0.179628783558 TCL: Center of mass = 13.4463420758 -1.01788925473 0.310702200353 TCL: atom 1: phi = 0.17906943005 TCL: Center of mass = 13.4480134857 -1.01745475148 0.310252685385 TCL: atom 1: phi = 0.178675136284 TCL: Center of mass = 13.4496988092 -1.01703711158 0.309799722845 TCL: atom 1: phi = 0.17821606616 TCL: Center of mass = 13.4514145808 -1.01665181676 0.30936030158 TCL: atom 1: phi = 0.177928806832 TCL: Center of mass = 13.4531156562 -1.01628397677 0.308921868643 TCL: atom 1: phi = 0.177583641998 TCL: Center of mass = 13.4547798995 -1.01593183466 0.308489193553 TCL: atom 1: phi = 0.177341390463 TCL: Center of mass = 13.4563919782 -1.01557249065 0.3080577285 TCL: atom 1: phi = 0.177086944209 TCL: Center of mass = 13.4580011005 -1.01520693548 0.307603831127 TCL: atom 1: phi = 0.176961241924 TCL: Center of mass = 13.4595910784 -1.01481673235 0.307120624414 TCL: atom 1: phi = 0.176755483476 TCL: Center of mass = 13.4612194191 -1.01442359402 0.306627296903 TCL: atom 1: phi = 0.176727380459 TCL: Center of mass = 13.4628606268 -1.01403147842 0.306128717739 TCL: atom 1: phi = 0.176661098229 TCL: Center of mass = 13.4645338782 -1.01367212524 0.305638356831 TCL: atom 1: phi = 0.176813363627 TCL: Center of mass = 13.4662560334 -1.01330934143 0.305187666883 TCL: atom 1: phi = 0.176882323209 TCL: Center of mass = 13.4680131262 -1.012973287 0.304763696372 TCL: atom 1: phi = 0.177097656811 TCL: Center of mass = 13.4697740447 -1.01268013579 0.304384609924 TCL: atom 1: phi = 0.177218547238 TCL: Center of mass = 13.4715353092 -1.01240563204 0.304058807684 TCL: atom 1: phi = 0.177520187945 TCL: Center of mass = 13.4732666245 -1.01215736272 0.303761590525 TCL: atom 1: phi = 0.177609020948 TCL: Center of mass = 13.4749816779 -1.01189088719 0.303473638661 TCL: atom 1: phi = 0.177814692862 TCL: Center of mass = 13.4766740029 -1.01158670496 0.303183384059 TCL: atom 1: phi = 0.177893192157 TCL: Center of mass = 13.4783491333 -1.0112517002 0.302916360305 TCL: atom 1: phi = 0.178169130418 TCL: Center of mass = 13.4800024707 -1.01090434039 0.302677745529 TCL: atom 1: phi = 0.178377570663 TCL: Center of mass = 13.4816757479 -1.01054893436 0.302461609745 TCL: atom 1: phi = 0.178908723805 TCL: Center of mass = 13.4833413598 -1.01018687037 0.302267122786 TCL: atom 1: phi = 0.179441321259 TCL: Center of mass = 13.4850170333 -1.0098571026 0.302106199072 TCL: atom 1: phi = 0.180260100705 TCL: Center of mass = 13.4866318017 -1.00954945896 0.302003719689 TCL: atom 1: phi = 0.180983570865 TCL: Center of mass = 13.4882205204 -1.00926717127 0.301944826904 TCL: atom 1: phi = 0.181906629435 TCL: Center of mass = 13.4897829131 -1.00902013929 0.301909773628 TCL: atom 1: phi = 0.182690503511 TCL: Center of mass = 13.491326168 -1.00877761274 0.301888031633 TCL: atom 1: phi = 0.183637650845 TCL: Center of mass = 13.4928289351 -1.00853141711 0.30186318963 TCL: atom 1: phi = 0.184382097858 TCL: Center of mass = 13.4943387085 -1.00826571641 0.301863740864 TCL: atom 1: phi = 0.185303015655 TCL: Center of mass = 13.4958239262 -1.00797953724 0.301862322241 TCL: atom 1: phi = 0.185995194661 TCL: Center of mass = 13.4973212487 -1.00769778811 0.301862955978 TCL: atom 1: phi = 0.186859152408 TCL: Center of mass = 13.4987968656 -1.00741970501 0.301859107283 TCL: atom 1: phi = 0.187410908364 TIMING: 10000 CPU: 533.396, 0.0537118/step Wall: 638.578, 0.0629289/step, 0.174802 hours remaining, 13608 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 10000 3269.5504 2501.4718 380.6973 39.1603 -44440.6387 4022.9925 0.0000 0.0000 9819.9585 -24406.8079 291.1035 -24257.1547 -24273.8279 289.8633 2362.0339 -859.8192 125000.0000 -969.9003 -966.0272 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10000 WRITING COORDINATES TO DCD FILE AT STEP 10000 WRITING COORDINATES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.5002530769 -1.00716164524 0.301860266493 TCL: atom 1: phi = 0.187961969159 TCL: Center of mass = 13.5016662868 -1.00690696594 0.301880533593 TCL: atom 1: phi = 0.188072726708 TCL: Center of mass = 13.5030608105 -1.00670662731 0.301913539708 TCL: atom 1: phi = 0.18802625938 TCL: Center of mass = 13.5044312511 -1.00652108985 0.301944764751 TCL: atom 1: phi = 0.187519483625 TCL: Center of mass = 13.5057857321 -1.00635284566 0.301970121918 TCL: atom 1: phi = 0.18691036983 TCL: Center of mass = 13.5071359151 -1.00619349283 0.302004150645 TCL: atom 1: phi = 0.185962973072 TCL: Center of mass = 13.5085116267 -1.00602928819 0.302047378324 TCL: atom 1: phi = 0.185049851818 TCL: Center of mass = 13.5098781778 -1.00584205817 0.302089522524 TCL: atom 1: phi = 0.18391270127 TCL: Center of mass = 13.5112480982 -1.00562288908 0.302126742788 TCL: atom 1: phi = 0.182922536521 TCL: Center of mass = 13.5125832553 -1.00536643464 0.302159452851 TCL: atom 1: phi = 0.181783599917 TCL: Center of mass = 13.5138908957 -1.00509799227 0.302187835787 TCL: atom 1: phi = 0.180848693976 TCL: Center of mass = 13.5151437605 -1.00480572814 0.302242911367 TCL: atom 1: phi = 0.179808289283 TCL: Center of mass = 13.5163725366 -1.00452208351 0.302324457657 TCL: atom 1: phi = 0.178929575845 TCL: Center of mass = 13.5175806463 -1.00425096002 0.302421569612 TCL: atom 1: phi = 0.177924688431 TCL: Center of mass = 13.5187997767 -1.00399920374 0.302533479574 TCL: atom 1: phi = 0.177151111857 TCL: Center of mass = 13.5200378752 -1.00375371848 0.302669906877 TCL: atom 1: phi = 0.17632697281 TCL: Center of mass = 13.5213138693 -1.00349557597 0.302835063867 TCL: atom 1: phi = 0.175807823587 TCL: Center of mass = 13.5225977936 -1.00321949621 0.303017132412 TCL: atom 1: phi = 0.175269392077 TCL: Center of mass = 13.5239088743 -1.00294879001 0.303225504589 TCL: atom 1: phi = 0.175078665739 TCL: Center of mass = 13.5251831492 -1.00267872117 0.303433142033 TCL: atom 1: phi = 0.174769197892 TCL: Center of mass = 13.526440167 -1.00243189031 0.303638584637 TCL: atom 1: phi = 0.174648982374 TCL: Center of mass = 13.52766745 -1.00220984831 0.303833090054 TCL: atom 1: phi = 0.17440196776 TCL: Center of mass = 13.5288779047 -1.00201668112 0.304040898731 TCL: atom 1: phi = 0.174261254032 TCL: Center of mass = 13.5300607215 -1.00183922159 0.304230435106 TCL: atom 1: phi = 0.173893315666 TCL: Center of mass = 13.5312740448 -1.00169368213 0.304409845774 TCL: atom 1: phi = 0.173640830221 TCL: Center of mass = 13.5325079768 -1.00155861635 0.304567837037 TCL: atom 1: phi = 0.173191039187 TCL: Center of mass = 13.5337828301 -1.00143451191 0.304721965371 TCL: atom 1: phi = 0.172995600816 TCL: Center of mass = 13.5351073265 -1.00132572863 0.304873601485 TCL: atom 1: phi = 0.172681919336 TCL: Center of mass = 13.5364864508 -1.00122261876 0.305023709583 TCL: atom 1: phi = 0.172668470441 TCL: Center of mass = 13.537868872 -1.00110688536 0.305183059389 TCL: atom 1: phi = 0.172567212875 TCL: Center of mass = 13.539226908 -1.00100073722 0.305341852232 TCL: atom 1: phi = 0.172682991085 TCL: Center of mass = 13.5405343737 -1.00086540884 0.305512242426 TCL: atom 1: phi = 0.172640106136 TCL: Center of mass = 13.5418172928 -1.00074623403 0.305672700867 TCL: atom 1: phi = 0.172780274874 TCL: Center of mass = 13.5430733891 -1.00059235832 0.305832488358 TCL: atom 1: phi = 0.17269882175 TCL: Center of mass = 13.5443150557 -1.00045238309 0.305977868386 TCL: atom 1: phi = 0.172832944264 TCL: Center of mass = 13.5455741189 -1.00029069653 0.306123307597 TCL: atom 1: phi = 0.172784751771 TCL: Center of mass = 13.5469046746 -1.00012660525 0.306270423275 TCL: atom 1: phi = 0.173015401737 TCL: Center of mass = 13.5482954881 -0.999935760593 0.306428686241 TCL: atom 1: phi = 0.173191768892 TCL: Center of mass = 13.5497463675 -0.999755383991 0.306605541525 TCL: atom 1: phi = 0.173687450797 TCL: Center of mass = 13.5512086508 -0.999558748221 0.306794538525 TCL: atom 1: phi = 0.17407856835 TCL: Center of mass = 13.5526652907 -0.999359845301 0.306999291928 TCL: atom 1: phi = 0.174678528029 TCL: Center of mass = 13.5540804092 -0.999128489901 0.307185837219 TCL: atom 1: phi = 0.175100551107 TCL: Center of mass = 13.5554669077 -0.998887173913 0.307372329466 TCL: atom 1: phi = 0.175634448265 TCL: Center of mass = 13.5567959478 -0.998621980728 0.307552168916 TCL: atom 1: phi = 0.175898724656 TCL: Center of mass = 13.5581125662 -0.998363660901 0.307724593058 TCL: atom 1: phi = 0.176257675211 TCL: Center of mass = 13.5594116597 -0.998094753934 0.307884476996 TCL: atom 1: phi = 0.176368383777 TCL: Center of mass = 13.5607653452 -0.997846946398 0.308048617486 TCL: atom 1: phi = 0.176670043446 TCL: Center of mass = 13.5621452446 -0.997616395611 0.308207470443 TCL: atom 1: phi = 0.17679435616 TCL: Center of mass = 13.5635698376 -0.997425988746 0.308363232786 TCL: atom 1: phi = 0.17724753849 TCL: Center of mass = 13.5650089558 -0.997269620353 0.308537975331 TCL: atom 1: phi = 0.177651787939 TCL: Center of mass = 13.5664552228 -0.997146736165 0.30873691945 TCL: atom 1: phi = 0.178390080252 TCL: Center of mass = 13.5678609976 -0.997043864337 0.308948148505 TCL: atom 1: phi = 0.179112301095 TCL: Center of mass = 13.5692204709 -0.996925851756 0.309170009172 TCL: atom 1: phi = 0.180069100676 TCL: Center of mass = 13.5705322015 -0.996766777101 0.309390829914 TCL: atom 1: phi = 0.180949476942 TCL: Center of mass = 13.5718148305 -0.996596569393 0.309611539007 TCL: atom 1: phi = 0.182129971595 TCL: Center of mass = 13.573063804 -0.996363757903 0.309815535682 TCL: atom 1: phi = 0.183260622495 TCL: Center of mass = 13.5743061688 -0.99609668251 0.310031082396 TCL: atom 1: phi = 0.184650598583 TCL: Center of mass = 13.5755630505 -0.995769266951 0.310228609638 TCL: atom 1: phi = 0.186002082986 TCL: Center of mass = 13.5768420326 -0.995453990987 0.310443731493 TCL: atom 1: phi = 0.187609780132 TCL: Center of mass = 13.5781196388 -0.995125596914 0.310650465723 TCL: atom 1: phi = 0.189081284377 TCL: Center of mass = 13.5794014573 -0.994842576197 0.310897986791 TCL: atom 1: phi = 0.190634082669 TCL: Center of mass = 13.5806595561 -0.994555992581 0.311157704738 TCL: atom 1: phi = 0.191906706012 TCL: Center of mass = 13.5819106604 -0.994296449835 0.311417249803 TCL: atom 1: phi = 0.193096038706 TCL: Center of mass = 13.5831598746 -0.994031466683 0.311661442277 TCL: atom 1: phi = 0.193874382278 TCL: Center of mass = 13.5843925962 -0.993751272392 0.311890510775 TCL: atom 1: phi = 0.194511525358 TCL: Center of mass = 13.5856195037 -0.99343002083 0.312078335462 TCL: atom 1: phi = 0.19470702155 TCL: Center of mass = 13.5868653279 -0.993091011411 0.312252883586 TCL: atom 1: phi = 0.194838824553 TCL: Center of mass = 13.5881383166 -0.992739804947 0.312409756123 TCL: atom 1: phi = 0.194617524123 TCL: Center of mass = 13.5894437934 -0.992420363509 0.312566304518 TCL: atom 1: phi = 0.194422546449 TCL: Center of mass = 13.5907721292 -0.992123318905 0.312718678088 TCL: atom 1: phi = 0.193994504557 TCL: Center of mass = 13.5921187146 -0.991876305602 0.312896964932 TCL: atom 1: phi = 0.193652927871 TCL: Center of mass = 13.593465767 -0.991680370576 0.313064531788 TCL: atom 1: phi = 0.193047237183 TCL: Center of mass = 13.5948265286 -0.991551051871 0.313235545273 TCL: atom 1: phi = 0.192595302675 TCL: Center of mass = 13.5961810393 -0.991428742955 0.31336213484 TCL: atom 1: phi = 0.192003760915 TCL: Center of mass = 13.5975464165 -0.991314402859 0.313475512743 TCL: atom 1: phi = 0.191624305522 TCL: Center of mass = 13.5989222565 -0.991171843123 0.313549557463 TCL: atom 1: phi = 0.191214482708 TCL: Center of mass = 13.6003218552 -0.991001788987 0.313572093424 TCL: atom 1: phi = 0.191133149941 TCL: Center of mass = 13.6017243082 -0.990773506469 0.313523613335 TCL: atom 1: phi = 0.191184894973 TCL: Center of mass = 13.6031434609 -0.990519386167 0.313451717062 TCL: atom 1: phi = 0.191642460316 TCL: Center of mass = 13.6045686828 -0.990238664374 0.313342003833 TCL: atom 1: phi = 0.192230288995 TCL: Center of mass = 13.6060157446 -0.989961943436 0.313251271223 TCL: atom 1: phi = 0.193180631174 TCL: Center of mass = 13.6074789185 -0.989674938305 0.313138771129 TCL: atom 1: phi = 0.194087152411 TCL: Center of mass = 13.6089738373 -0.989406047492 0.313021464949 TCL: atom 1: phi = 0.195184783844 TCL: Center of mass = 13.6105046828 -0.989114972316 0.312894510133 TCL: atom 1: phi = 0.196196255761 TCL: Center of mass = 13.6120696914 -0.988826109681 0.312770835283 TCL: atom 1: phi = 0.197346083534 TCL: Center of mass = 13.6136581081 -0.988501766063 0.312613179835 TCL: atom 1: phi = 0.198366191481 TCL: Center of mass = 13.615274184 -0.988137154579 0.312443522514 TCL: atom 1: phi = 0.199435213575 TCL: Center of mass = 13.6168796025 -0.987710073476 0.312241233424 TCL: atom 1: phi = 0.200380713492 TCL: Center of mass = 13.6184696251 -0.987243812528 0.312026541113 TCL: atom 1: phi = 0.201490286476 TCL: Center of mass = 13.6200216363 -0.986751232667 0.311806477456 TCL: atom 1: phi = 0.202505911327 TCL: Center of mass = 13.6215263318 -0.986276317739 0.31162450017 TCL: atom 1: phi = 0.203663849474 TCL: Center of mass = 13.6229936093 -0.985812064243 0.311456016442 TCL: atom 1: phi = 0.204625644759 TCL: Center of mass = 13.6244363724 -0.985383676373 0.311310535075 TCL: atom 1: phi = 0.205635884351 TCL: Center of mass = 13.6258873333 -0.984976322044 0.311160270748 TCL: atom 1: phi = 0.206368624403 TCL: Center of mass = 13.6273435866 -0.984597213786 0.311012735896 TCL: atom 1: phi = 0.207142324297 TCL: Center of mass = 13.628799224 -0.984248119698 0.310854605808 TCL: atom 1: phi = 0.207631071777 TCL: Center of mass = 13.6302955668 -0.98393682956 0.310687094501 TCL: atom 1: phi = 0.208143710676 TCL: Center of mass = 13.6317782552 -0.983647503146 0.310478772766 TCL: atom 1: phi = 0.208471073528 TCL: Center of mass = 13.6332327733 -0.98339287307 0.310268606482 TCL: atom 1: phi = 0.208997710984 TCL: Center of mass = 13.6346334968 -0.983159809498 0.310027053652 TCL: atom 1: phi = 0.209319643127 TIMING: 10100 CPU: 538.754, 0.0535819/step Wall: 645.086, 0.0650738/step, 0.178953 hours remaining, 13608 kB of memory in use. ENERGY: 10100 3338.8124 2438.4823 385.3081 27.5140 -44424.6695 4023.9829 0.0000 0.0000 9841.1966 -24369.3731 291.7331 -24220.0292 -24237.1391 290.3507 1890.5225 -1339.6754 125000.0000 -1393.8805 -1396.1993 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10100 WRITING COORDINATES TO DCD FILE AT STEP 10100 WRITING COORDINATES TO RESTART FILE AT STEP 10100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.635994792 -0.982949030711 0.309779819869 TCL: atom 1: phi = 0.209748063983 TCL: Center of mass = 13.6373041221 -0.98276371678 0.309503722134 TCL: atom 1: phi = 0.209898633552 TCL: Center of mass = 13.6385946131 -0.982611218769 0.309195488358 TCL: atom 1: phi = 0.210023746534 TCL: Center of mass = 13.639894953 -0.982463129076 0.308837090273 TCL: atom 1: phi = 0.20977610079 TCL: Center of mass = 13.6412449979 -0.982307072263 0.308473635745 TCL: atom 1: phi = 0.209517314086 TCL: Center of mass = 13.642649822 -0.982155232606 0.308070936234 TCL: atom 1: phi = 0.208925240886 TCL: Center of mass = 13.6441224915 -0.982000375673 0.307668429439 TCL: atom 1: phi = 0.208375022022 TCL: Center of mass = 13.6456327919 -0.981831193266 0.307240652736 TCL: atom 1: phi = 0.207642283777 TCL: Center of mass = 13.6471856888 -0.981646099144 0.306815404526 TCL: atom 1: phi = 0.207028312588 TCL: Center of mass = 13.6487103942 -0.981438799588 0.306372790366 TCL: atom 1: phi = 0.206313466795 TCL: Center of mass = 13.6502037773 -0.98121951895 0.30593833825 TCL: atom 1: phi = 0.205743889437 TCL: Center of mass = 13.6516482922 -0.98097618243 0.305504526667 TCL: atom 1: phi = 0.205055892483 TCL: Center of mass = 13.6531096101 -0.980714385315 0.305074717484 TCL: atom 1: phi = 0.20456014702 TCL: Center of mass = 13.6545634269 -0.980423553763 0.304646489096 TCL: atom 1: phi = 0.204046873805 TCL: Center of mass = 13.656091046 -0.980112130216 0.304213371539 TCL: atom 1: phi = 0.20375788972 TCL: Center of mass = 13.6576675231 -0.979799007282 0.303797981037 TCL: atom 1: phi = 0.203494082141 TCL: Center of mass = 13.659318856 -0.979490428061 0.303391911343 TCL: atom 1: phi = 0.203546651866 TCL: Center of mass = 13.6610207451 -0.979207482085 0.302985347249 TCL: atom 1: phi = 0.203737274072 TCL: Center of mass = 13.6627505284 -0.97898090806 0.302587871018 TCL: atom 1: phi = 0.20428318438 TCL: Center of mass = 13.6644481683 -0.978812874979 0.302210753115 TCL: atom 1: phi = 0.204965679485 TCL: Center of mass = 13.6661153963 -0.978682763633 0.30182674297 TCL: atom 1: phi = 0.205972647907 TCL: Center of mass = 13.6677365772 -0.978571469397 0.301439065286 TCL: atom 1: phi = 0.206932369909 TCL: Center of mass = 13.6693179909 -0.978494217993 0.30101775621 TCL: atom 1: phi = 0.207955263977 TCL: Center of mass = 13.6708592123 -0.978417076229 0.300568500167 TCL: atom 1: phi = 0.208707774573 TCL: Center of mass = 13.6723936565 -0.978326424032 0.300109548458 TCL: atom 1: phi = 0.209332512244 TCL: Center of mass = 13.6739248194 -0.978217350517 0.299659714008 TCL: atom 1: phi = 0.209562825121 TCL: Center of mass = 13.6754767354 -0.978124827313 0.299229882883 TCL: atom 1: phi = 0.209640797468 TCL: Center of mass = 13.6770287487 -0.978038977502 0.298825381759 TCL: atom 1: phi = 0.209336781514 TCL: Center of mass = 13.6785772097 -0.977984424517 0.298455033949 TCL: atom 1: phi = 0.208898141368 TCL: Center of mass = 13.6800959058 -0.977914774272 0.29813480929 TCL: atom 1: phi = 0.208136805097 TCL: Center of mass = 13.6815570455 -0.977858212399 0.297848294009 TCL: atom 1: phi = 0.207182131595 TCL: Center of mass = 13.6829598828 -0.977749355832 0.297575576351 TCL: atom 1: phi = 0.205825986686 TCL: Center of mass = 13.6843186077 -0.97760151144 0.297321345774 TCL: atom 1: phi = 0.204278109059 TCL: Center of mass = 13.6856430533 -0.977370154455 0.297065927758 TCL: atom 1: phi = 0.202270016622 TCL: Center of mass = 13.6869758672 -0.97706853825 0.296834744551 TCL: atom 1: phi = 0.200197607365 TCL: Center of mass = 13.6883180794 -0.976693658749 0.296584713103 TCL: atom 1: phi = 0.197894884017 TCL: Center of mass = 13.6897040582 -0.97628745622 0.296363536562 TCL: atom 1: phi = 0.195713144954 TCL: Center of mass = 13.6911146991 -0.975865265855 0.296169077234 TCL: atom 1: phi = 0.193551661065 TCL: Center of mass = 13.6925560294 -0.975478734236 0.296033545737 TCL: atom 1: phi = 0.191699724253 TCL: Center of mass = 13.6939950657 -0.975137097814 0.295956022221 TCL: atom 1: phi = 0.189948717132 TCL: Center of mass = 13.6954221213 -0.974829284424 0.295928742979 TCL: atom 1: phi = 0.188559025092 TCL: Center of mass = 13.6968241158 -0.974549056973 0.295908396426 TCL: atom 1: phi = 0.187321639911 TCL: Center of mass = 13.6982276959 -0.974297371267 0.295890571281 TCL: atom 1: phi = 0.186416250563 TCL: Center of mass = 13.6996162152 -0.974073008812 0.295840209071 TCL: atom 1: phi = 0.185597164407 TCL: Center of mass = 13.7010065522 -0.973845638107 0.295771765021 TCL: atom 1: phi = 0.185054000845 TCL: Center of mass = 13.7023929329 -0.973626695838 0.295664573838 TCL: atom 1: phi = 0.184557809256 TCL: Center of mass = 13.7037940065 -0.973454993748 0.295526625261 TCL: atom 1: phi = 0.184322710856 TCL: Center of mass = 13.7052095414 -0.973307782333 0.295370383489 TCL: atom 1: phi = 0.18410132603 TCL: Center of mass = 13.7066401315 -0.973223759402 0.295217365016 TCL: atom 1: phi = 0.184099628261 TCL: Center of mass = 13.7080662553 -0.973189240102 0.295059918077 TCL: atom 1: phi = 0.184029755511 TCL: Center of mass = 13.709493416 -0.973209345563 0.294899542241 TCL: atom 1: phi = 0.184079190308 TCL: Center of mass = 13.7109087142 -0.973240421438 0.294742033828 TCL: atom 1: phi = 0.184013388406 TCL: Center of mass = 13.7123269632 -0.973269093748 0.294600807844 TCL: atom 1: phi = 0.184006035441 TCL: Center of mass = 13.713744716 -0.973239638755 0.294446607343 TCL: atom 1: phi = 0.183715012081 TCL: Center of mass = 13.7151591009 -0.973150108667 0.294282062851 TCL: atom 1: phi = 0.183439709673 TCL: Center of mass = 13.7166009098 -0.972977065058 0.294103584667 TCL: atom 1: phi = 0.18298379638 TCL: Center of mass = 13.718064623 -0.972756215135 0.293944812026 TCL: atom 1: phi = 0.182601746461 TCL: Center of mass = 13.7195063864 -0.972479716588 0.293812051488 TCL: atom 1: phi = 0.182209655831 TCL: Center of mass = 13.7209363393 -0.972161869205 0.293697582961 TCL: atom 1: phi = 0.181931933319 TCL: Center of mass = 13.7223309611 -0.971831088805 0.293623621411 TCL: atom 1: phi = 0.181625453135 TCL: Center of mass = 13.7237004938 -0.971488004002 0.293586889488 TCL: atom 1: phi = 0.181499650925 TCL: Center of mass = 13.7250525471 -0.971116241264 0.293587327831 TCL: atom 1: phi = 0.181226071322 TCL: Center of mass = 13.7264185897 -0.970730138733 0.293611260036 TCL: atom 1: phi = 0.181017995234 TCL: Center of mass = 13.7277684482 -0.970319565225 0.293638821172 TCL: atom 1: phi = 0.18056459193 TCL: Center of mass = 13.729131815 -0.96989273492 0.293654060025 TCL: atom 1: phi = 0.180130623415 TCL: Center of mass = 13.7304756991 -0.969462442063 0.293631686355 TCL: atom 1: phi = 0.179463395203 TCL: Center of mass = 13.7318119046 -0.969037501287 0.293588622449 TCL: atom 1: phi = 0.178890414879 TCL: Center of mass = 13.7331070871 -0.968617905159 0.293529699615 TCL: atom 1: phi = 0.178219717109 TCL: Center of mass = 13.7343334788 -0.968223517623 0.293476897821 TCL: atom 1: phi = 0.17772885151 TCL: Center of mass = 13.7354982055 -0.967864466455 0.293419253345 TCL: atom 1: phi = 0.177152079624 TCL: Center of mass = 13.7366372831 -0.967569717326 0.293380593497 TCL: atom 1: phi = 0.176722182903 TCL: Center of mass = 13.7377327839 -0.967315167465 0.293355471753 TCL: atom 1: phi = 0.176121580963 TCL: Center of mass = 13.7388228845 -0.967091726204 0.293330927899 TCL: atom 1: phi = 0.175682654582 TCL: Center of mass = 13.7399091364 -0.966896478536 0.293258642069 TCL: atom 1: phi = 0.175125364095 TCL: Center of mass = 13.7410454866 -0.966705498173 0.293184154366 TCL: atom 1: phi = 0.174743736867 TCL: Center of mass = 13.7421888077 -0.966504011139 0.293071434922 TCL: atom 1: phi = 0.17425504036 TCL: Center of mass = 13.7433439801 -0.966305694169 0.292941961322 TCL: atom 1: phi = 0.174084466667 TCL: Center of mass = 13.7444456158 -0.966101572275 0.292800036164 TCL: atom 1: phi = 0.174074866329 TCL: Center of mass = 13.7455267637 -0.965887137809 0.292672230685 TCL: atom 1: phi = 0.174579640761 TCL: Center of mass = 13.7465547066 -0.965644004349 0.292566968503 TCL: atom 1: phi = 0.175279862872 TCL: Center of mass = 13.7475604048 -0.96541158682 0.292495100774 TCL: atom 1: phi = 0.176406589474 TCL: Center of mass = 13.7485175995 -0.965177931695 0.292457059261 TCL: atom 1: phi = 0.177640578185 TCL: Center of mass = 13.7494982304 -0.964936732703 0.2924407087 TCL: atom 1: phi = 0.179098891223 TCL: Center of mass = 13.7505013757 -0.964680996288 0.292442803007 TCL: atom 1: phi = 0.180430238503 TCL: Center of mass = 13.7515510218 -0.964430942655 0.292456294019 TCL: atom 1: phi = 0.181788916417 TCL: Center of mass = 13.7526102959 -0.964194508002 0.2924926063 TCL: atom 1: phi = 0.182919681105 TCL: Center of mass = 13.7536852996 -0.963976262068 0.292530222493 TCL: atom 1: phi = 0.184089870083 TCL: Center of mass = 13.7547308924 -0.963766608517 0.292560674736 TCL: atom 1: phi = 0.185082737464 TCL: Center of mass = 13.7557514506 -0.963576058186 0.292581435509 TCL: atom 1: phi = 0.186104714812 TCL: Center of mass = 13.7567340701 -0.963362806677 0.292582635398 TCL: atom 1: phi = 0.186930261742 TCL: Center of mass = 13.7576899911 -0.963154606705 0.292576320594 TCL: atom 1: phi = 0.187675317897 TCL: Center of mass = 13.7586295999 -0.962956808909 0.292539887087 TCL: atom 1: phi = 0.188042001902 TCL: Center of mass = 13.7595740747 -0.962767994767 0.29246714122 TCL: atom 1: phi = 0.188220335081 TCL: Center of mass = 13.760538852 -0.962594999837 0.292340576261 TCL: atom 1: phi = 0.187931129655 TCL: Center of mass = 13.7615530699 -0.962434984086 0.292188833192 TCL: atom 1: phi = 0.187437128893 TCL: Center of mass = 13.7626098335 -0.962303233615 0.291999460265 TCL: atom 1: phi = 0.186509445273 TCL: Center of mass = 13.7637140946 -0.962208351089 0.291809304067 TCL: atom 1: phi = 0.185530809292 TCL: Center of mass = 13.7648187676 -0.962113571821 0.291598262896 TCL: atom 1: phi = 0.184416811097 TCL: Center of mass = 13.7659244014 -0.962037970669 0.291388428146 TCL: atom 1: phi = 0.183531428026 TCL: Center of mass = 13.7670068163 -0.961967324589 0.291154724036 TCL: atom 1: phi = 0.182674285868 TIMING: 10200 CPU: 544.113, 0.0535919/step Wall: 651.462, 0.0637598/step, 0.173568 hours remaining, 13608 kB of memory in use. ENERGY: 10200 3337.5988 2516.3376 382.6587 43.3990 -44605.8783 4111.6080 0.0000 0.0000 9846.0649 -24368.2114 291.8774 -24219.3381 -24233.4746 291.9266 2052.1526 -1159.7361 125000.0000 -1148.8488 -1144.9283 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10200 WRITING COORDINATES TO DCD FILE AT STEP 10200 WRITING COORDINATES TO RESTART FILE AT STEP 10200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.7680541465 -0.961899384675 0.290913610427 TCL: atom 1: phi = 0.182055839772 TCL: Center of mass = 13.7690735592 -0.961786502685 0.290678570737 TCL: atom 1: phi = 0.181439139594 TCL: Center of mass = 13.7701094192 -0.961633963173 0.290454980428 TCL: atom 1: phi = 0.181010527305 TCL: Center of mass = 13.7711589582 -0.961456621896 0.290213047204 TCL: atom 1: phi = 0.180497967387 TCL: Center of mass = 13.7722671412 -0.961261674602 0.290002138142 TCL: atom 1: phi = 0.180075972714 TCL: Center of mass = 13.7734237124 -0.961053924544 0.289799556202 TCL: atom 1: phi = 0.179502645429 TCL: Center of mass = 13.7746228257 -0.960867559343 0.289648669353 TCL: atom 1: phi = 0.178978352847 TCL: Center of mass = 13.775842115 -0.960673082493 0.289556044196 TCL: atom 1: phi = 0.178400282389 TCL: Center of mass = 13.7770580894 -0.960512558047 0.289538678098 TCL: atom 1: phi = 0.178003977972 TCL: Center of mass = 13.7782540028 -0.960377951667 0.289559682314 TCL: atom 1: phi = 0.177557263714 TCL: Center of mass = 13.7794230444 -0.960240101089 0.28961477756 TCL: atom 1: phi = 0.177251340373 TCL: Center of mass = 13.7805845705 -0.96007869534 0.289667010986 TCL: atom 1: phi = 0.176882769866 TCL: Center of mass = 13.7817473825 -0.959895551289 0.289736781092 TCL: atom 1: phi = 0.176610996226 TCL: Center of mass = 13.7829181676 -0.959700581469 0.289774942893 TCL: atom 1: phi = 0.176140614788 TCL: Center of mass = 13.784128899 -0.959494592424 0.289784754769 TCL: atom 1: phi = 0.175627430385 TCL: Center of mass = 13.785352168 -0.959289974392 0.289779807218 TCL: atom 1: phi = 0.174904885311 TCL: Center of mass = 13.7865965176 -0.959129792316 0.28977596866 TCL: atom 1: phi = 0.174297321711 TCL: Center of mass = 13.7878394252 -0.959027264751 0.289767840464 TCL: atom 1: phi = 0.173691270324 TCL: Center of mass = 13.78908471 -0.958997291246 0.289767918768 TCL: atom 1: phi = 0.173337785695 TCL: Center of mass = 13.7902915318 -0.959018514169 0.289755316456 TCL: atom 1: phi = 0.173191271544 TCL: Center of mass = 13.7914816559 -0.959079280398 0.289740187255 TCL: atom 1: phi = 0.173435485986 TCL: Center of mass = 13.7926679399 -0.959138105109 0.289694027322 TCL: atom 1: phi = 0.173806523683 TCL: Center of mass = 13.7938715047 -0.959206097851 0.289610118871 TCL: atom 1: phi = 0.174369708522 TCL: Center of mass = 13.7950626582 -0.95927315128 0.289484615205 TCL: atom 1: phi = 0.17489958347 TCL: Center of mass = 13.7962828186 -0.959341277564 0.289351525748 TCL: atom 1: phi = 0.175442963604 TCL: Center of mass = 13.7975094081 -0.959400695767 0.289190062276 TCL: atom 1: phi = 0.175851818254 TCL: Center of mass = 13.7987495357 -0.959474364092 0.289047204768 TCL: atom 1: phi = 0.176224093771 TCL: Center of mass = 13.7999655697 -0.95955616451 0.288907738264 TCL: atom 1: phi = 0.176415039322 TCL: Center of mass = 13.8011741425 -0.959669898531 0.288813481267 TCL: atom 1: phi = 0.176677989498 TCL: Center of mass = 13.8023697184 -0.9597952759 0.288759931581 TCL: atom 1: phi = 0.176862413034 TCL: Center of mass = 13.8035697471 -0.959920021456 0.288740220487 TCL: atom 1: phi = 0.17707732438 TCL: Center of mass = 13.8047765982 -0.960002547636 0.288756061143 TCL: atom 1: phi = 0.177163045312 TCL: Center of mass = 13.8060084014 -0.960069543548 0.288805122806 TCL: atom 1: phi = 0.177195880227 TCL: Center of mass = 13.8072656129 -0.960091451999 0.288848648791 TCL: atom 1: phi = 0.176884008111 TCL: Center of mass = 13.8085343622 -0.960099657453 0.288900991451 TCL: atom 1: phi = 0.176398104316 TCL: Center of mass = 13.8098238058 -0.96005741616 0.288944816754 TCL: atom 1: phi = 0.175565975666 TCL: Center of mass = 13.8111178873 -0.959997743763 0.28900962904 TCL: atom 1: phi = 0.174655088971 TCL: Center of mass = 13.8124087992 -0.959929736558 0.289102494624 TCL: atom 1: phi = 0.173583056228 TCL: Center of mass = 13.8136867561 -0.959879587931 0.289220764283 TCL: atom 1: phi = 0.172601000023 TCL: Center of mass = 13.8149596932 -0.959838946915 0.289353126119 TCL: atom 1: phi = 0.171691809187 TCL: Center of mass = 13.8162704483 -0.959827223604 0.289502904997 TCL: atom 1: phi = 0.171065880877 TCL: Center of mass = 13.8176247981 -0.959805571705 0.289638795885 TCL: atom 1: phi = 0.170674002029 TCL: Center of mass = 13.8190093315 -0.95979924498 0.289755326855 TCL: atom 1: phi = 0.170658939951 TCL: Center of mass = 13.8204339034 -0.959798627727 0.289813725086 TCL: atom 1: phi = 0.170755558075 TCL: Center of mass = 13.8219052436 -0.959798359749 0.289835866758 TCL: atom 1: phi = 0.171035585735 TCL: Center of mass = 13.8233997717 -0.959794428595 0.289828399665 TCL: atom 1: phi = 0.171222908902 TCL: Center of mass = 13.8248954 -0.959809737953 0.289787533137 TCL: atom 1: phi = 0.171500796406 TCL: Center of mass = 13.826360947 -0.959823017633 0.289736068088 TCL: atom 1: phi = 0.171756730665 TCL: Center of mass = 13.8278211274 -0.959822247033 0.289707976491 TCL: atom 1: phi = 0.172152922075 TCL: Center of mass = 13.8292558739 -0.959799609922 0.289700136218 TCL: atom 1: phi = 0.172526580613 TCL: Center of mass = 13.8306780231 -0.959801591376 0.28970776015 TCL: atom 1: phi = 0.173018730185 TCL: Center of mass = 13.8321058689 -0.959775013443 0.289723375569 TCL: atom 1: phi = 0.173543038324 TCL: Center of mass = 13.8335668554 -0.959743563127 0.28974952634 TCL: atom 1: phi = 0.174174448867 TCL: Center of mass = 13.8350481871 -0.959671877572 0.289783290856 TCL: atom 1: phi = 0.1746016869 TCL: Center of mass = 13.8365418335 -0.959582538992 0.289799780211 TCL: atom 1: phi = 0.174842279748 TCL: Center of mass = 13.8380371949 -0.95946263672 0.289824223257 TCL: atom 1: phi = 0.17471396555 TCL: Center of mass = 13.8395136937 -0.959334465094 0.289875694043 TCL: atom 1: phi = 0.174429849438 TCL: Center of mass = 13.8409563251 -0.959180377662 0.289942501744 TCL: atom 1: phi = 0.173836897279 TCL: Center of mass = 13.8423674746 -0.95902366379 0.29001619249 TCL: atom 1: phi = 0.173201392769 TCL: Center of mass = 13.8437266754 -0.958817340398 0.290100784253 TCL: atom 1: phi = 0.172578058837 TCL: Center of mass = 13.845075785 -0.958591782455 0.290193339395 TCL: atom 1: phi = 0.172194397161 TCL: Center of mass = 13.8464371705 -0.95833799465 0.290291398408 TCL: atom 1: phi = 0.171911493318 TCL: Center of mass = 13.8478486502 -0.958079618681 0.290382885798 TCL: atom 1: phi = 0.171922827151 TCL: Center of mass = 13.8492961392 -0.957812456936 0.290457436372 TCL: atom 1: phi = 0.171952526398 TCL: Center of mass = 13.8507774168 -0.957577035286 0.290523891482 TCL: atom 1: phi = 0.172118537159 TCL: Center of mass = 13.852263636 -0.957371417637 0.290602643755 TCL: atom 1: phi = 0.17221270947 TCL: Center of mass = 13.8537448576 -0.957203880524 0.290684330358 TCL: atom 1: phi = 0.172344092083 TCL: Center of mass = 13.8551900387 -0.957050590233 0.290786000536 TCL: atom 1: phi = 0.172342597399 TCL: Center of mass = 13.8566083431 -0.956940840156 0.290901663616 TCL: atom 1: phi = 0.172405747884 TCL: Center of mass = 13.8579737906 -0.956825825952 0.291033797199 TCL: atom 1: phi = 0.172443867625 TCL: Center of mass = 13.8593271353 -0.956723353469 0.291184088094 TCL: atom 1: phi = 0.17267286565 TCL: Center of mass = 13.8606701909 -0.956621608529 0.291326655501 TCL: atom 1: phi = 0.172886820481 TCL: Center of mass = 13.8620281703 -0.95653884631 0.291489370111 TCL: atom 1: phi = 0.17328983268 TCL: Center of mass = 13.8633961534 -0.956454230571 0.291654100563 TCL: atom 1: phi = 0.173556063742 TCL: Center of mass = 13.8647677851 -0.956416591524 0.291812226331 TCL: atom 1: phi = 0.17385507695 TCL: Center of mass = 13.8661303669 -0.956382708251 0.29194049321 TCL: atom 1: phi = 0.173840913032 TCL: Center of mass = 13.8674642968 -0.956372589394 0.292075937973 TCL: atom 1: phi = 0.173773427939 TCL: Center of mass = 13.8687774184 -0.956342338261 0.292237136919 TCL: atom 1: phi = 0.173381629882 TCL: Center of mass = 13.8700641475 -0.956289834385 0.292391809423 TCL: atom 1: phi = 0.172942756565 TCL: Center of mass = 13.8713271117 -0.956168555284 0.292543412767 TCL: atom 1: phi = 0.172361472529 TCL: Center of mass = 13.8726150196 -0.95600498606 0.292704521694 TCL: atom 1: phi = 0.171955636244 TCL: Center of mass = 13.873889387 -0.955751275427 0.29282807824 TCL: atom 1: phi = 0.171535306189 TCL: Center of mass = 13.8751996606 -0.955461018494 0.292914452099 TCL: atom 1: phi = 0.171356492341 TCL: Center of mass = 13.8765427299 -0.955122220171 0.292979844038 TCL: atom 1: phi = 0.171132809071 TCL: Center of mass = 13.8779089157 -0.954763179269 0.293031077843 TCL: atom 1: phi = 0.171007359185 TCL: Center of mass = 13.8792843784 -0.954386198814 0.293101051411 TCL: atom 1: phi = 0.170662549509 TCL: Center of mass = 13.8806711066 -0.954002474792 0.293185555052 TCL: atom 1: phi = 0.170285207647 TCL: Center of mass = 13.8820569967 -0.95358992146 0.293289105691 TCL: atom 1: phi = 0.169684431683 TCL: Center of mass = 13.8834516252 -0.953150670213 0.293442035155 TCL: atom 1: phi = 0.169098574427 TCL: Center of mass = 13.8848713794 -0.952660968568 0.293626533768 TCL: atom 1: phi = 0.168448167708 TCL: Center of mass = 13.8863212744 -0.952133819289 0.293836084878 TCL: atom 1: phi = 0.168016698679 TCL: Center of mass = 13.8877869649 -0.951558083921 0.294055136305 TCL: atom 1: phi = 0.167595184569 TCL: Center of mass = 13.8892670174 -0.950975446631 0.294270189994 TCL: atom 1: phi = 0.167392213626 TCL: Center of mass = 13.8907422264 -0.95037727868 0.294466714891 TCL: atom 1: phi = 0.167136869663 TCL: Center of mass = 13.8922135004 -0.949804845243 0.29466997373 TCL: atom 1: phi = 0.166940736919 TCL: Center of mass = 13.8936621344 -0.949281258456 0.294858258432 TCL: atom 1: phi = 0.16662363399 TCL: Center of mass = 13.8951056526 -0.948824164122 0.295052410229 TCL: atom 1: phi = 0.166335591666 TCL: Center of mass = 13.8965020315 -0.94841352967 0.295269454416 TCL: atom 1: phi = 0.165810497499 TCL: Center of mass = 13.897878967 -0.948059504084 0.295492073724 TCL: atom 1: phi = 0.165269174069 TCL: Center of mass = 13.8992325669 -0.94771981524 0.29572382614 TCL: atom 1: phi = 0.16458413661 TIMING: 10300 CPU: 549.473, 0.0536019/step Wall: 657.867, 0.0640534/step, 0.172588 hours remaining, 13608 kB of memory in use. ENERGY: 10300 3338.8362 2452.7150 388.2920 37.2900 -44211.2332 3802.2341 0.0000 0.0000 9800.3322 -24391.5336 290.5217 -24240.8261 -24262.5406 291.1858 1868.8299 -1435.4036 125000.0000 -1149.6950 -1155.3128 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10300 WRITING COORDINATES TO DCD FILE AT STEP 10300 WRITING COORDINATES TO RESTART FILE AT STEP 10300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.9006065904 -0.947407289897 0.295961155649 TCL: atom 1: phi = 0.164081131696 TCL: Center of mass = 13.9019918262 -0.94709106908 0.296183763398 TCL: atom 1: phi = 0.163665035227 TCL: Center of mass = 13.9033893886 -0.946782116959 0.296350296285 TCL: atom 1: phi = 0.163632934497 TCL: Center of mass = 13.9048092901 -0.946455857959 0.296454857666 TCL: atom 1: phi = 0.163742861291 TCL: Center of mass = 13.9062408901 -0.946139757512 0.296531310364 TCL: atom 1: phi = 0.164202235149 TCL: Center of mass = 13.907677366 -0.945840382329 0.296604451866 TCL: atom 1: phi = 0.164703267215 TCL: Center of mass = 13.9091238695 -0.945571200486 0.296661988615 TCL: atom 1: phi = 0.165369739771 TCL: Center of mass = 13.9105488897 -0.945320028159 0.296717816516 TCL: atom 1: phi = 0.165937098407 TCL: Center of mass = 13.9119946101 -0.945084440246 0.296775898495 TCL: atom 1: phi = 0.166606718599 TCL: Center of mass = 13.9134552093 -0.944832646845 0.29684557042 TCL: atom 1: phi = 0.167155875486 TCL: Center of mass = 13.9149549701 -0.944563833953 0.296920605344 TCL: atom 1: phi = 0.167887862258 TCL: Center of mass = 13.9164970993 -0.944264251329 0.296989221336 TCL: atom 1: phi = 0.168576483281 TCL: Center of mass = 13.9180927567 -0.943940327376 0.297046917638 TCL: atom 1: phi = 0.169490446094 TCL: Center of mass = 13.919714502 -0.943598157713 0.297109799327 TCL: atom 1: phi = 0.170299559129 TCL: Center of mass = 13.921357152 -0.94325797472 0.297183581171 TCL: atom 1: phi = 0.171168320662 TCL: Center of mass = 13.9229821061 -0.94289218055 0.29726441648 TCL: atom 1: phi = 0.17165298231 TCL: Center of mass = 13.9245826509 -0.942563218427 0.297360677826 TCL: atom 1: phi = 0.172067709685 TCL: Center of mass = 13.9261630234 -0.942249920315 0.297481666214 TCL: atom 1: phi = 0.172050383603 TCL: Center of mass = 13.9277189037 -0.94198148362 0.297598476178 TCL: atom 1: phi = 0.171917640557 TCL: Center of mass = 13.9292490885 -0.94171459133 0.297714658791 TCL: atom 1: phi = 0.171453235604 TCL: Center of mass = 13.9307960223 -0.941473655799 0.29783200408 TCL: atom 1: phi = 0.170976181908 TCL: Center of mass = 13.9323157971 -0.941214200374 0.297944897712 TCL: atom 1: phi = 0.170302167269 TCL: Center of mass = 13.9338192725 -0.940976680186 0.298052163235 TCL: atom 1: phi = 0.169739112321 TCL: Center of mass = 13.9353132895 -0.940745185749 0.298132334802 TCL: atom 1: phi = 0.169082402215 TCL: Center of mass = 13.9367878195 -0.940513353078 0.29817751478 TCL: atom 1: phi = 0.168553753068 TCL: Center of mass = 13.9381958864 -0.940287495776 0.298208536058 TCL: atom 1: phi = 0.167949805065 TCL: Center of mass = 13.9395621575 -0.940080601363 0.298204485651 TCL: atom 1: phi = 0.167463125951 TCL: Center of mass = 13.9408773599 -0.939880710691 0.298176454979 TCL: atom 1: phi = 0.166856250951 TCL: Center of mass = 13.9421691271 -0.939673403909 0.298114503321 TCL: atom 1: phi = 0.166328524468 TCL: Center of mass = 13.9434392583 -0.939454526555 0.298028276735 TCL: atom 1: phi = 0.165723166822 TCL: Center of mass = 13.9447370835 -0.939227298975 0.297932595258 TCL: atom 1: phi = 0.165250333421 TCL: Center of mass = 13.9460582598 -0.938968682471 0.29782860025 TCL: atom 1: phi = 0.164734506193 TCL: Center of mass = 13.9474200293 -0.938688466321 0.29772200505 TCL: atom 1: phi = 0.164437717216 TCL: Center of mass = 13.9488163672 -0.938369402978 0.297602719762 TCL: atom 1: phi = 0.164262950305 TCL: Center of mass = 13.9502456686 -0.93803934974 0.297493359971 TCL: atom 1: phi = 0.164321272294 TCL: Center of mass = 13.9516857889 -0.937696161342 0.297366207043 TCL: atom 1: phi = 0.164407202949 TCL: Center of mass = 13.9531347881 -0.937349842041 0.297251505312 TCL: atom 1: phi = 0.164573431029 TCL: Center of mass = 13.9545659524 -0.937002696364 0.297160896547 TCL: atom 1: phi = 0.164630864427 TCL: Center of mass = 13.9559986982 -0.936656990556 0.297087563004 TCL: atom 1: phi = 0.164744643514 TCL: Center of mass = 13.9574452521 -0.936289091247 0.297008210541 TCL: atom 1: phi = 0.164755207742 TCL: Center of mass = 13.9589254103 -0.93591926831 0.296917189145 TCL: atom 1: phi = 0.164855895777 TCL: Center of mass = 13.9604202701 -0.935524192233 0.296823864102 TCL: atom 1: phi = 0.164918418606 TCL: Center of mass = 13.9619563146 -0.935149038626 0.296722260892 TCL: atom 1: phi = 0.16509593559 TCL: Center of mass = 13.9634985703 -0.934788892915 0.296611038018 TCL: atom 1: phi = 0.165319342654 TCL: Center of mass = 13.9650516571 -0.934473091563 0.29650293515 TCL: atom 1: phi = 0.165713616314 TCL: Center of mass = 13.966590467 -0.93419559723 0.2963757903 TCL: atom 1: phi = 0.166075631798 TCL: Center of mass = 13.9681094824 -0.933957144618 0.296289656874 TCL: atom 1: phi = 0.16656870775 TCL: Center of mass = 13.9695857709 -0.933704212059 0.296193789395 TCL: atom 1: phi = 0.166948696975 TCL: Center of mass = 13.9710447233 -0.933436170847 0.296101040138 TCL: atom 1: phi = 0.167386770236 TCL: Center of mass = 13.9724761075 -0.93314902434 0.295989501123 TCL: atom 1: phi = 0.167703131061 TCL: Center of mass = 13.973895824 -0.932828804685 0.295880006074 TCL: atom 1: phi = 0.168036247343 TCL: Center of mass = 13.9752884446 -0.932477428277 0.29575174502 TCL: atom 1: phi = 0.168233767188 TCL: Center of mass = 13.9766759593 -0.932124247615 0.295621630331 TCL: atom 1: phi = 0.168458231504 TCL: Center of mass = 13.9780316746 -0.931746700592 0.295493701927 TCL: atom 1: phi = 0.168543392622 TCL: Center of mass = 13.9793814411 -0.931361532137 0.295357452157 TCL: atom 1: phi = 0.168747025843 TCL: Center of mass = 13.9807204993 -0.930972974055 0.295255711179 TCL: atom 1: phi = 0.168861892137 TCL: Center of mass = 13.9820386734 -0.930580801505 0.295176224017 TCL: atom 1: phi = 0.169004969777 TCL: Center of mass = 13.9833136245 -0.930187937318 0.295118583665 TCL: atom 1: phi = 0.168975544684 TCL: Center of mass = 13.9845761295 -0.929770283127 0.295091177035 TCL: atom 1: phi = 0.168905327062 TCL: Center of mass = 13.985848854 -0.929320683446 0.295086881029 TCL: atom 1: phi = 0.16863552458 TCL: Center of mass = 13.9871367337 -0.928873175907 0.2950827491 TCL: atom 1: phi = 0.168368130346 TCL: Center of mass = 13.988445297 -0.928410600589 0.295061760436 TCL: atom 1: phi = 0.167964975158 TCL: Center of mass = 13.9897830982 -0.927978195969 0.295023528554 TCL: atom 1: phi = 0.167614951456 TCL: Center of mass = 13.9911412878 -0.927569379006 0.294976488341 TCL: atom 1: phi = 0.1672606642 TCL: Center of mass = 13.992521782 -0.927198758119 0.294940123936 TCL: atom 1: phi = 0.167126867792 TCL: Center of mass = 13.9938898137 -0.9268710393 0.294899772225 TCL: atom 1: phi = 0.16705490877 TCL: Center of mass = 13.9952659555 -0.926593357697 0.294868206412 TCL: atom 1: phi = 0.167196339155 TCL: Center of mass = 13.996651098 -0.926331515117 0.294838314935 TCL: atom 1: phi = 0.167403763435 TCL: Center of mass = 13.9980589937 -0.926077818078 0.294813995512 TCL: atom 1: phi = 0.167753561479 TCL: Center of mass = 13.9994656729 -0.925819047429 0.294780838924 TCL: atom 1: phi = 0.167964723705 TCL: Center of mass = 14.0008813647 -0.925534984809 0.294722962157 TCL: atom 1: phi = 0.168252022753 TCL: Center of mass = 14.0023074492 -0.9252073617 0.294637277742 TCL: atom 1: phi = 0.168407705216 TCL: Center of mass = 14.0037267217 -0.924855691272 0.294537665459 TCL: atom 1: phi = 0.168624494119 TCL: Center of mass = 14.0051395687 -0.924488200049 0.294426234157 TCL: atom 1: phi = 0.168685949708 TCL: Center of mass = 14.0065488137 -0.924121186175 0.294327240697 TCL: atom 1: phi = 0.168893370689 TCL: Center of mass = 14.0079156741 -0.923748637018 0.294224738574 TCL: atom 1: phi = 0.16900709491 TCL: Center of mass = 14.0092561743 -0.923385783556 0.294147101553 TCL: atom 1: phi = 0.169227275214 TCL: Center of mass = 14.0105661405 -0.922989534148 0.294078924391 TCL: atom 1: phi = 0.169267369167 TCL: Center of mass = 14.0118916068 -0.922570866573 0.294009283809 TCL: atom 1: phi = 0.169347075633 TCL: Center of mass = 14.0132218117 -0.922094424796 0.293943723274 TCL: atom 1: phi = 0.169133956119 TCL: Center of mass = 14.0145656143 -0.921590358092 0.293877326649 TCL: atom 1: phi = 0.168918577312 TCL: Center of mass = 14.0159089473 -0.921048495099 0.293819928248 TCL: atom 1: phi = 0.168373998674 TCL: Center of mass = 14.01724844 -0.92048700089 0.293752118492 TCL: atom 1: phi = 0.167876125984 TCL: Center of mass = 14.018593041 -0.919933185103 0.293690124657 TCL: atom 1: phi = 0.167143076387 TCL: Center of mass = 14.0199305281 -0.919414325416 0.293633489967 TCL: atom 1: phi = 0.166546270314 TCL: Center of mass = 14.0212320194 -0.91893364981 0.293595653291 TCL: atom 1: phi = 0.165861306677 TCL: Center of mass = 14.0225507226 -0.91850968039 0.293600192963 TCL: atom 1: phi = 0.165383655224 TCL: Center of mass = 14.0238716601 -0.918106383649 0.293629328971 TCL: atom 1: phi = 0.164900490407 TCL: Center of mass = 14.0252307081 -0.917740351334 0.293686792372 TCL: atom 1: phi = 0.164704009945 TCL: Center of mass = 14.0266152354 -0.917396402837 0.293769782162 TCL: atom 1: phi = 0.164406615217 TCL: Center of mass = 14.0280298782 -0.917086075091 0.293873502469 TCL: atom 1: phi = 0.164266693427 TCL: Center of mass = 14.0294677941 -0.91678403195 0.293957769533 TCL: atom 1: phi = 0.163956662956 TCL: Center of mass = 14.0309386177 -0.916517091932 0.294020609983 TCL: atom 1: phi = 0.163792335217 TCL: Center of mass = 14.0323984259 -0.916291389044 0.294082807322 TCL: atom 1: phi = 0.163420447256 TCL: Center of mass = 14.0338547562 -0.916112380156 0.294165388355 TCL: atom 1: phi = 0.163232897866 TCL: Center of mass = 14.0352637828 -0.915959502738 0.294268497035 TCL: atom 1: phi = 0.16295082866 TCL: Center of mass = 14.0366407868 -0.915837532285 0.294394600568 TCL: atom 1: phi = 0.16289540932 TCL: Center of mass = 14.0379705004 -0.915720412693 0.294547441962 TCL: atom 1: phi = 0.162759489627 TCL: Center of mass = 14.0392742884 -0.915612250657 0.294732752251 TCL: atom 1: phi = 0.16285181452 TCL: Center of mass = 14.0405442526 -0.915499930681 0.294930401411 TCL: atom 1: phi = 0.162777267663 TIMING: 10400 CPU: 554.836, 0.0536219/step Wall: 664.221, 0.0635415/step, 0.169444 hours remaining, 13608 kB of memory in use. ENERGY: 10400 3357.4874 2493.9243 385.5417 40.1464 -44446.5586 3994.1840 0.0000 0.0000 9766.1605 -24409.1143 289.5087 -24257.7781 -24280.8828 290.7507 2174.4437 -908.5852 125000.0000 -1392.4921 -1390.1799 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10400 WRITING COORDINATES TO DCD FILE AT STEP 10400 WRITING COORDINATES TO RESTART FILE AT STEP 10400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 14.0418103844 -0.915376348595 0.295163591335 TCL: atom 1: phi = 0.162806088176 TCL: Center of mass = 14.0430743486 -0.915246669413 0.295414256215 TCL: atom 1: phi = 0.162555975612 TCL: Center of mass = 14.0443473676 -0.915108982029 0.295689151108 TCL: atom 1: phi = 0.162328854136 TCL: Center of mass = 14.0455946682 -0.914958461523 0.295966270913 TCL: atom 1: phi = 0.161826226723 TCL: Center of mass = 14.0468410966 -0.91480461022 0.29625116397 TCL: atom 1: phi = 0.161462120514 TCL: Center of mass = 14.0480601184 -0.914655499558 0.296549887722 TCL: atom 1: phi = 0.160918939458 TCL: Center of mass = 14.049287239 -0.914496413232 0.296838073782 TCL: atom 1: phi = 0.160687360113 TCL: Center of mass = 14.0504841161 -0.914347016519 0.29711411169 TCL: atom 1: phi = 0.160395001249 TCL: Center of mass = 14.0516813424 -0.914200069478 0.297377631485 TCL: atom 1: phi = 0.160382621347 TCL: Center of mass = 14.0528646008 -0.914031569847 0.297622969667 TCL: atom 1: phi = 0.160293891241 TCL: Center of mass = 14.0540447486 -0.913873572758 0.297866964849 TCL: atom 1: phi = 0.160389119831 TCL: Center of mass = 14.0552114101 -0.913719847756 0.2980840112 TCL: atom 1: phi = 0.160333927433 TCL: Center of mass = 14.0563893328 -0.91359212208 0.298305718944 TCL: atom 1: phi = 0.160407001587 TCL: Center of mass = 14.0575802775 -0.913463168523 0.298505917482 TCL: atom 1: phi = 0.16026859231 TCL: Center of mass = 14.0587866687 -0.913381989872 0.29867267704 TCL: atom 1: phi = 0.160246804406 TCL: Center of mass = 14.0600027646 -0.913320387006 0.298805924774 TCL: atom 1: phi = 0.160059779027 TCL: Center of mass = 14.0612290158 -0.913301108318 0.298916376435 TCL: atom 1: phi = 0.16005015561 TCL: Center of mass = 14.0624355615 -0.913274648873 0.298986451859 TCL: atom 1: phi = 0.159996903915 TCL: Center of mass = 14.0636432835 -0.913259465125 0.299031600466 TCL: atom 1: phi = 0.160149476635 TCL: Center of mass = 14.0648381787 -0.913230708663 0.299066110451 TCL: atom 1: phi = 0.160268294806 TCL: Center of mass = 14.065997781 -0.91321877721 0.299097920796 TCL: atom 1: phi = 0.160494426738 TCL: Center of mass = 14.0671221176 -0.913195494653 0.299122983545 TCL: atom 1: phi = 0.160518630442 TCL: Center of mass = 14.0682424854 -0.913194668467 0.299176766292 TCL: atom 1: phi = 0.160577177564 TCL: Center of mass = 14.0693411596 -0.913201268419 0.299249731898 TCL: atom 1: phi = 0.160428039712 TCL: Center of mass = 14.0704301003 -0.913240794356 0.299354084892 TCL: atom 1: phi = 0.160372033452 TCL: Center of mass = 14.0715018667 -0.913284765695 0.299476618187 TCL: atom 1: phi = 0.160156926321 TCL: Center of mass = 14.072603562 -0.913339608037 0.299615687178 TCL: atom 1: phi = 0.160127734136 TCL: Center of mass = 14.0737115104 -0.913392709476 0.29974691069 TCL: atom 1: phi = 0.160150620037 TCL: Center of mass = 14.074868232 -0.913434025628 0.299879313945 TCL: atom 1: phi = 0.160478376961 TCL: Center of mass = 14.0760283016 -0.913441502949 0.30001622899 TCL: atom 1: phi = 0.160926410207 TCL: Center of mass = 14.0772443038 -0.913449526473 0.300168317749 TCL: atom 1: phi = 0.161586220795 TCL: Center of mass = 14.0784847438 -0.913441217614 0.300330171827 TCL: atom 1: phi = 0.162122548262 TCL: Center of mass = 14.0797440636 -0.913470371663 0.300504497115 TCL: atom 1: phi = 0.162725711782 TCL: Center of mass = 14.0809987559 -0.913509594501 0.300700220795 TCL: atom 1: phi = 0.163072548658 TCL: Center of mass = 14.0822698975 -0.913579063484 0.300938230894 TCL: atom 1: phi = 0.163384206226 TCL: Center of mass = 14.0835435805 -0.913664403747 0.301176837034 TCL: atom 1: phi = 0.163427703059 TCL: Center of mass = 14.0848445291 -0.913780151632 0.301423143571 TCL: atom 1: phi = 0.163549678586 TCL: Center of mass = 14.0861500847 -0.913881924071 0.301670505907 TCL: atom 1: phi = 0.163507621214 TCL: Center of mass = 14.0874712579 -0.913977553028 0.30187511858 TCL: atom 1: phi = 0.163650100563 TCL: Center of mass = 14.088786043 -0.914048268805 0.302064606487 TCL: atom 1: phi = 0.163641344234 TCL: Center of mass = 14.090124848 -0.91410288687 0.302240314122 TCL: atom 1: phi = 0.163795015138 TCL: Center of mass = 14.0914089069 -0.914144597213 0.30244411905 TCL: atom 1: phi = 0.163736324164 TCL: Center of mass = 14.0926691865 -0.914204423881 0.302639718192 TCL: atom 1: phi = 0.163706914119 TCL: Center of mass = 14.0938621819 -0.914277134799 0.302860767429 TCL: atom 1: phi = 0.163270414814 TCL: Center of mass = 14.0950348972 -0.914381431411 0.30310903335 TCL: atom 1: phi = 0.162860640539 TCL: Center of mass = 14.0961586499 -0.914502851174 0.303393620215 TCL: atom 1: phi = 0.162127746503 TCL: Center of mass = 14.0972912635 -0.914652399201 0.303688925315 TCL: atom 1: phi = 0.161560077381 TCL: Center of mass = 14.0984279676 -0.914776620321 0.303972681198 TCL: atom 1: phi = 0.16093122592 TCL: Center of mass = 14.0996140391 -0.914877795744 0.304236042486 TCL: atom 1: phi = 0.16056677935 TCL: Center of mass = 14.1008308142 -0.914946018479 0.304469291317 TCL: atom 1: phi = 0.160177396777 TCL: Center of mass = 14.1020768122 -0.914975402757 0.304714469017 TCL: atom 1: phi = 0.160094432976 TCL: Center of mass = 14.1033166218 -0.914975267036 0.304964892142 TCL: atom 1: phi = 0.159970604047 TCL: Center of mass = 14.104550993 -0.914962856887 0.305226602584 TCL: atom 1: phi = 0.160030304798 TCL: Center of mass = 14.1057403742 -0.914932872985 0.305499232626 TCL: atom 1: phi = 0.159949917406 TCL: Center of mass = 14.1069070077 -0.914911622689 0.305806670731 TCL: atom 1: phi = 0.159956549347 TCL: Center of mass = 14.1080550547 -0.914872609965 0.306134016927 TCL: atom 1: phi = 0.159787691901 TCL: Center of mass = 14.1092185246 -0.914839347518 0.306467785735 TCL: atom 1: phi = 0.159711696816 TCL: Center of mass = 14.1104232425 -0.914788952249 0.306793192151 TCL: atom 1: phi = 0.159530724966 TCL: Center of mass = 14.1116682131 -0.914741372563 0.307100303111 TCL: atom 1: phi = 0.159556527281 TCL: Center of mass = 14.112967875 -0.914660781632 0.30737267336 TCL: atom 1: phi = 0.159563629762 TCL: Center of mass = 14.1143141703 -0.914571026528 0.307612247368 TCL: atom 1: phi = 0.159767611052 TCL: Center of mass = 14.1156907137 -0.914438419585 0.307807697497 TCL: atom 1: phi = 0.15993380084 TCL: Center of mass = 14.117047328 -0.914316165051 0.307984456796 TCL: atom 1: phi = 0.160275958403 TCL: Center of mass = 14.1183785189 -0.914174978654 0.308168312514 TCL: atom 1: phi = 0.160415210883 TCL: Center of mass = 14.1196837497 -0.914069903633 0.308354101897 TCL: atom 1: phi = 0.160620166183 TCL: Center of mass = 14.1209681086 -0.913982416167 0.308541223738 TCL: atom 1: phi = 0.160601582844 TCL: Center of mass = 14.1222439302 -0.913926807557 0.308738186906 TCL: atom 1: phi = 0.160676130032 TCL: Center of mass = 14.1235593733 -0.913883823405 0.30893640637 TCL: atom 1: phi = 0.160618314827 TCL: Center of mass = 14.1249362592 -0.913850983513 0.309121867723 TCL: atom 1: phi = 0.160815534942 TCL: Center of mass = 14.1263618871 -0.913799404419 0.309272683648 TCL: atom 1: phi = 0.160983893422 TCL: Center of mass = 14.1278450828 -0.91375008496 0.309400174663 TCL: atom 1: phi = 0.16143359144 TCL: Center of mass = 14.129379761 -0.913652761398 0.30949346556 TCL: atom 1: phi = 0.161832498157 TCL: Center of mass = 14.1309506905 -0.91353030559 0.309562316834 TCL: atom 1: phi = 0.162391019682 TCL: Center of mass = 14.1325325912 -0.913394757182 0.309610776483 TCL: atom 1: phi = 0.162706339638 TCL: Center of mass = 14.1341017154 -0.913271609854 0.309657101111 TCL: atom 1: phi = 0.163016559006 TCL: Center of mass = 14.1356540035 -0.913140533563 0.309701647789 TCL: atom 1: phi = 0.162932302723 TCL: Center of mass = 14.1371934185 -0.913020972845 0.30975261645 TCL: atom 1: phi = 0.162825212455 TCL: Center of mass = 14.138729506 -0.912884308241 0.309835537557 TCL: atom 1: phi = 0.16242176883 TCL: Center of mass = 14.1402930248 -0.91274802565 0.309914806173 TCL: atom 1: phi = 0.162162052519 TCL: Center of mass = 14.1418805289 -0.912585668945 0.309976550118 TCL: atom 1: phi = 0.161684026521 TCL: Center of mass = 14.1435120498 -0.912406427224 0.310045744474 TCL: atom 1: phi = 0.161439606696 TCL: Center of mass = 14.1451860019 -0.912169510042 0.310116954959 TCL: atom 1: phi = 0.161013668793 TCL: Center of mass = 14.1468765409 -0.91190813794 0.310191067368 TCL: atom 1: phi = 0.16075353993 TCL: Center of mass = 14.1485559479 -0.91163454732 0.310287628773 TCL: atom 1: phi = 0.160184963365 TCL: Center of mass = 14.1502390564 -0.91135952557 0.310421181327 TCL: atom 1: phi = 0.159659831866 TCL: Center of mass = 14.1518956176 -0.911049143005 0.310579679459 TCL: atom 1: phi = 0.158781042351 TCL: Center of mass = 14.1535134036 -0.910734689644 0.310755126124 TCL: atom 1: phi = 0.158003934148 TCL: Center of mass = 14.1550998808 -0.910404262245 0.31095692738 TCL: atom 1: phi = 0.156982893935 TCL: Center of mass = 14.1566749294 -0.910098176273 0.311175394153 TCL: atom 1: phi = 0.156190633236 TCL: Center of mass = 14.1582468767 -0.909763811186 0.311375524557 TCL: atom 1: phi = 0.155431924426 TCL: Center of mass = 14.1598607547 -0.909451762039 0.311574695088 TCL: atom 1: phi = 0.155148845392 TCL: Center of mass = 14.1614910739 -0.90914101069 0.311740840435 TCL: atom 1: phi = 0.154922945487 TCL: Center of mass = 14.1631447125 -0.908859013419 0.311904993894 TCL: atom 1: phi = 0.155061726396 TCL: Center of mass = 14.1648063805 -0.908556240221 0.312080983621 TCL: atom 1: phi = 0.15509729621 TCL: Center of mass = 14.1664984068 -0.90826867653 0.312232550372 TCL: atom 1: phi = 0.155260400552 TCL: Center of mass = 14.1681878404 -0.907970484753 0.312387017456 TCL: atom 1: phi = 0.155244690609 TCL: Center of mass = 14.1698844892 -0.907675770379 0.312528802776 TCL: atom 1: phi = 0.155315651782 TCL: Center of mass = 14.1715838303 -0.907364968427 0.312653822154 TCL: atom 1: phi = 0.155198326988 TCL: Center of mass = 14.1732724668 -0.907056361717 0.312782611307 TCL: atom 1: phi = 0.155279616453 TCL: Center of mass = 14.1749478407 -0.906737575766 0.312916294616 TCL: atom 1: phi = 0.155359095627 TIMING: 10500 CPU: 560.185, 0.0534919/step Wall: 670.553, 0.063318/step, 0.167089 hours remaining, 13608 kB of memory in use. ENERGY: 10500 3305.1778 2529.9780 383.0153 38.6876 -44311.0364 3800.2345 0.0000 0.0000 9881.7877 -24372.1556 292.9364 -24224.4538 -24234.5760 291.0716 1697.3587 -1551.9354 125000.0000 -1273.4555 -1275.0457 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10500 WRITING COORDINATES TO DCD FILE AT STEP 10500 WRITING COORDINATES TO RESTART FILE AT STEP 10500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 14.1766212091 -0.906418451225 0.313066989144 TCL: atom 1: phi = 0.155794411995 TCL: Center of mass = 14.1782912023 -0.906093297674 0.313201820388 TCL: atom 1: phi = 0.15623776693 TCL: Center of mass = 14.1799815125 -0.905793949763 0.313344109607 TCL: atom 1: phi = 0.156910219303 TCL: Center of mass = 14.1816909077 -0.905497284992 0.313454289451 TCL: atom 1: phi = 0.157387640174 TCL: Center of mass = 14.1834138699 -0.905210966275 0.313546596024 TCL: atom 1: phi = 0.157872295084 TCL: Center of mass = 14.1851261912 -0.904878071552 0.313614196731 TCL: atom 1: phi = 0.158029899207 TCL: Center of mass = 14.1868444383 -0.904548860967 0.313669499376 TCL: atom 1: phi = 0.15806030216 TCL: Center of mass = 14.1885385026 -0.904177236313 0.313691356647 TCL: atom 1: phi = 0.15777289997 TCL: Center of mass = 14.1901814453 -0.903766880789 0.313708242492 TCL: atom 1: phi = 0.157526317228 TCL: Center of mass = 14.1917727499 -0.903298200917 0.313714090462 TCL: atom 1: phi = 0.157177150234 TCL: Center of mass = 14.1933176053 -0.902849437219 0.313733638416 TCL: atom 1: phi = 0.157098668011 TCL: Center of mass = 14.1948358651 -0.902395615608 0.313752408849 TCL: atom 1: phi = 0.157060587925 TCL: Center of mass = 14.1963301907 -0.902002709403 0.313810061255 TCL: atom 1: phi = 0.157315456889 TCL: Center of mass = 14.1978222903 -0.901622816984 0.313884010103 TCL: atom 1: phi = 0.157472841169 TCL: Center of mass = 14.1993166834 -0.901306753177 0.313964973078 TCL: atom 1: phi = 0.157698270801 TCL: Center of mass = 14.2008361643 -0.900980823495 0.314019430259 TCL: atom 1: phi = 0.157662237077 TCL: Center of mass = 14.2023906097 -0.900678378734 0.314068512636 TCL: atom 1: phi = 0.157607649615 TCL: Center of mass = 14.2039670236 -0.900339073168 0.314103654264 TCL: atom 1: phi = 0.157376048361 TCL: Center of mass = 14.2055831789 -0.899988350779 0.314126405149 TCL: atom 1: phi = 0.157188707325 TCL: Center of mass = 14.2072113616 -0.899606905045 0.314128884983 TCL: atom 1: phi = 0.156924191441 TCL: Center of mass = 14.2088412478 -0.899237451956 0.314124668433 TCL: atom 1: phi = 0.156910930207 TCL: Center of mass = 14.2104593743 -0.898880926678 0.314112625428 TCL: atom 1: phi = 0.156926307025 TCL: Center of mass = 14.2120671782 -0.898575559913 0.314099500657 TCL: atom 1: phi = 0.15713543065 TCL: Center of mass = 14.2136624334 -0.898300631439 0.314099041979 TCL: atom 1: phi = 0.157368036564 TCL: Center of mass = 14.2152640696 -0.898092916599 0.314110226438 TCL: atom 1: phi = 0.157637969929 TCL: Center of mass = 14.2168842554 -0.897916277814 0.314139023399 TCL: atom 1: phi = 0.157743545003 TCL: Center of mass = 14.2185369455 -0.897749046251 0.314138171694 TCL: atom 1: phi = 0.15777148262 TCL: Center of mass = 14.2202035276 -0.897551898342 0.314138020932 TCL: atom 1: phi = 0.15763855763 TCL: Center of mass = 14.2219021647 -0.897318360625 0.314127707914 TCL: atom 1: phi = 0.1574175799 TCL: Center of mass = 14.2236416387 -0.897036034497 0.314129830611 TCL: atom 1: phi = 0.157108211003 TCL: Center of mass = 14.2253840379 -0.896713424512 0.314153296287 TCL: atom 1: phi = 0.1569247755 TCL: Center of mass = 14.2271067037 -0.896371628453 0.314230267049 TCL: atom 1: phi = 0.156863114588 TCL: Center of mass = 14.2287998533 -0.896066971384 0.314342360902 TCL: atom 1: phi = 0.157018136627 TCL: Center of mass = 14.2304581084 -0.895789580018 0.314482772885 TCL: atom 1: phi = 0.157192834677 TCL: Center of mass = 14.232099186 -0.89556464875 0.314666156367 TCL: atom 1: phi = 0.157451287723 TCL: Center of mass = 14.2337363554 -0.895386912667 0.314889177889 TCL: atom 1: phi = 0.157637402651 TCL: Center of mass = 14.2353935613 -0.895249786984 0.315127260399 TCL: atom 1: phi = 0.157816692343 TCL: Center of mass = 14.2370899335 -0.895126536169 0.315342719488 TCL: atom 1: phi = 0.157833403039 TCL: Center of mass = 14.2388387431 -0.894994363905 0.315554639275 TCL: atom 1: phi = 0.157760555128 TCL: Center of mass = 14.2406199111 -0.894819187398 0.315746052505 TCL: atom 1: phi = 0.157619389003 TCL: Center of mass = 14.242432756 -0.894615605024 0.315922233366 TCL: atom 1: phi = 0.157619303359 TCL: Center of mass = 14.2442445907 -0.894391130003 0.316064853258 TCL: atom 1: phi = 0.157705249448 TCL: Center of mass = 14.2460266059 -0.89417257752 0.316204920146 TCL: atom 1: phi = 0.158009167369 TCL: Center of mass = 14.2477783727 -0.893972621699 0.316318979186 TCL: atom 1: phi = 0.158444581346 TCL: Center of mass = 14.2494999211 -0.893808737169 0.316442911891 TCL: atom 1: phi = 0.159070835536 TCL: Center of mass = 14.2511939979 -0.893668470273 0.316555750815 TCL: atom 1: phi = 0.159606800606 TCL: Center of mass = 14.2528948896 -0.893544995395 0.316664140808 TCL: atom 1: phi = 0.160110809081 TCL: Center of mass = 14.2545933418 -0.893425830271 0.316739220113 TCL: atom 1: phi = 0.160391291874 TCL: Center of mass = 14.2563332282 -0.893305339787 0.316799064828 TCL: atom 1: phi = 0.160666552679 TCL: Center of mass = 14.2580968609 -0.893150141557 0.316826414974 TCL: atom 1: phi = 0.160843742064 TCL: Center of mass = 14.2599012759 -0.892976373911 0.316839904844 TCL: atom 1: phi = 0.161109617646 TCL: Center of mass = 14.2617225235 -0.892754546115 0.31684480945 TCL: atom 1: phi = 0.161442242384 TCL: Center of mass = 14.2635419755 -0.892518412587 0.31685941182 TCL: atom 1: phi = 0.16208586246 TCL: Center of mass = 14.2653432267 -0.892255522278 0.316903687867 TCL: atom 1: phi = 0.162842471498 TCL: Center of mass = 14.2671076072 -0.892015993018 0.316962440516 TCL: atom 1: phi = 0.163797423589 TCL: Center of mass = 14.2688297272 -0.891772441706 0.317053063705 TCL: atom 1: phi = 0.164753403907 TCL: Center of mass = 14.2705365328 -0.891553647777 0.317189358066 TCL: atom 1: phi = 0.165758882816 TCL: Center of mass = 14.2722158333 -0.891343716156 0.317359560779 TCL: atom 1: phi = 0.166564985193 TCL: Center of mass = 14.2738944058 -0.891151778076 0.317549240765 TCL: atom 1: phi = 0.167312247596 TCL: Center of mass = 14.2755927761 -0.8909449506 0.317745908174 TCL: atom 1: phi = 0.167895554232 TCL: Center of mass = 14.2773506112 -0.890758076117 0.317945880095 TCL: atom 1: phi = 0.168501959837 TCL: Center of mass = 14.279131981 -0.890568724528 0.318156864315 TCL: atom 1: phi = 0.169045088636 TCL: Center of mass = 14.2809325388 -0.890382116095 0.318393819459 TCL: atom 1: phi = 0.169728126752 TCL: Center of mass = 14.282718942 -0.890194781659 0.318638836893 TCL: atom 1: phi = 0.17041751146 TCL: Center of mass = 14.2844896045 -0.890009079928 0.318884414858 TCL: atom 1: phi = 0.17120272134 TCL: Center of mass = 14.2862362917 -0.88983567531 0.319129930017 TCL: atom 1: phi = 0.171820803423 TCL: Center of mass = 14.2879634081 -0.889680958071 0.319368601596 TCL: atom 1: phi = 0.172436686589 TCL: Center of mass = 14.2896518631 -0.889526892508 0.319589626466 TCL: atom 1: phi = 0.172790885956 TCL: Center of mass = 14.291334031 -0.889409861251 0.31978996858 TCL: atom 1: phi = 0.173032630579 TCL: Center of mass = 14.2930093113 -0.889298360089 0.31996961204 TCL: atom 1: phi = 0.172976320106 TCL: Center of mass = 14.2947076207 -0.889182118184 0.320122835933 TCL: atom 1: phi = 0.172925905339 TCL: Center of mass = 14.2964215738 -0.889086182549 0.320260760031 TCL: atom 1: phi = 0.172729591929 TCL: Center of mass = 14.2981296474 -0.888987476784 0.320374477224 TCL: atom 1: phi = 0.172725887759 TCL: Center of mass = 14.2998215566 -0.888873580355 0.320481181234 TCL: atom 1: phi = 0.172757451518 TCL: Center of mass = 14.3015094906 -0.888734857617 0.320588702417 TCL: atom 1: phi = 0.173036769603 TCL: Center of mass = 14.3031397697 -0.888565088492 0.320685170954 TCL: atom 1: phi = 0.173278392566 TCL: Center of mass = 14.3047562122 -0.888353563341 0.32078958676 TCL: atom 1: phi = 0.173669079799 TCL: Center of mass = 14.3063412207 -0.888118618579 0.320910690263 TCL: atom 1: phi = 0.173910343874 TCL: Center of mass = 14.3079014546 -0.887861686823 0.321050219701 TCL: atom 1: phi = 0.174173990932 TCL: Center of mass = 14.3094154966 -0.887630656049 0.321207279246 TCL: atom 1: phi = 0.174200403085 TCL: Center of mass = 14.310935064 -0.887425379522 0.321401620516 TCL: atom 1: phi = 0.174340962749 TCL: Center of mass = 14.3124628111 -0.887238304125 0.32164669209 TCL: atom 1: phi = 0.174397422441 TCL: Center of mass = 14.3140281415 -0.88707787714 0.321937578461 TCL: atom 1: phi = 0.174699638675 TCL: Center of mass = 14.3156329039 -0.886923233492 0.322237762406 TCL: atom 1: phi = 0.175043954484 TCL: Center of mass = 14.3172760733 -0.886744491601 0.322543905928 TCL: atom 1: phi = 0.175706030383 TCL: Center of mass = 14.3189456568 -0.886549835542 0.32284911728 TCL: atom 1: phi = 0.176344057683 TCL: Center of mass = 14.3206569675 -0.886370294206 0.323152529059 TCL: atom 1: phi = 0.177130338738 TCL: Center of mass = 14.3223754542 -0.886184050823 0.323453394371 TCL: atom 1: phi = 0.177608757837 TCL: Center of mass = 14.3240899901 -0.886017060277 0.32373431207 TCL: atom 1: phi = 0.178147059294 TCL: Center of mass = 14.3258116505 -0.885864390756 0.324036709576 TCL: atom 1: phi = 0.178289887591 TCL: Center of mass = 14.327538863 -0.885750427234 0.324311801859 TCL: atom 1: phi = 0.178465025231 TCL: Center of mass = 14.3292671263 -0.885697931033 0.324583165112 TCL: atom 1: phi = 0.178263073778 TCL: Center of mass = 14.3310086113 -0.885697379959 0.324842101871 TCL: atom 1: phi = 0.17820093896 TCL: Center of mass = 14.3327740953 -0.885702985396 0.325099636558 TCL: atom 1: phi = 0.177955164909 TCL: Center of mass = 14.3345587581 -0.885704183252 0.325303008679 TCL: atom 1: phi = 0.177894053167 TCL: Center of mass = 14.3364047001 -0.885673651702 0.325459398733 TCL: atom 1: phi = 0.177600683948 TCL: Center of mass = 14.3382879466 -0.885599491917 0.325581176691 TCL: atom 1: phi = 0.177416371807 TCL: Center of mass = 14.3401447233 -0.885493102321 0.325669135352 TCL: atom 1: phi = 0.176853459152 TCL: Center of mass = 14.3419876165 -0.885357054574 0.325754739617 TCL: atom 1: phi = 0.176198534698 TCL: Center of mass = 14.3437833219 -0.885232761862 0.325841290827 TCL: atom 1: phi = 0.175168889258 TIMING: 10600 CPU: 565.551, 0.0536618/step Wall: 676.899, 0.0634548/step, 0.165688 hours remaining, 13608 kB of memory in use. ENERGY: 10600 3347.4653 2526.5489 390.0031 35.5113 -44337.8881 3866.9568 0.0000 0.0000 9795.9347 -24375.4680 290.3914 -24225.4736 -24243.4410 289.8999 2062.6181 -1281.7121 125000.0000 -1452.6287 -1452.0663 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10600 WRITING COORDINATES TO DCD FILE AT STEP 10600 WRITING COORDINATES TO RESTART FILE AT STEP 10600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 14.3455436719 -0.885126208117 0.325931623422 TCL: atom 1: phi = 0.174040675263 TCL: Center of mass = 14.347256473 -0.885056002192 0.326063674406 TCL: atom 1: phi = 0.172633496628 TCL: Center of mass = 14.3489481647 -0.885053012391 0.326235302175 TCL: atom 1: phi = 0.171274910791 TCL: Center of mass = 14.3506302336 -0.885092669166 0.326435660464 TCL: atom 1: phi = 0.169750059536 TCL: Center of mass = 14.3523270021 -0.885166935467 0.326671960138 TCL: atom 1: phi = 0.168360858923 TCL: Center of mass = 14.3540534786 -0.885233523916 0.326937097919 TCL: atom 1: phi = 0.166980074093 TCL: Center of mass = 14.3558433054 -0.885286001765 0.327215331717 TCL: atom 1: phi = 0.165825666677 TCL: Center of mass = 14.3576640446 -0.885299150275 0.327499497145 TCL: atom 1: phi = 0.164613746482 TCL: Center of mass = 14.3595339759 -0.885273855577 0.327783737638 TCL: atom 1: phi = 0.163530385318 TCL: Center of mass = 14.3614114548 -0.88523699556 0.328117010603 TCL: atom 1: phi = 0.162390068944 TCL: Center of mass = 14.3632734847 -0.885225878809 0.328494885789 TCL: atom 1: phi = 0.161365018461 TCL: Center of mass = 14.3651457548 -0.885245451502 0.328919026701 TCL: atom 1: phi = 0.16035578265 TCL: Center of mass = 14.366998862 -0.885307911951 0.329383800084 TCL: atom 1: phi = 0.159641435393 TCL: Center of mass = 14.3688602524 -0.885437203103 0.329922707026 TCL: atom 1: phi = 0.159133278391 TCL: Center of mass = 14.3707316427 -0.885607021085 0.330456151663 TCL: atom 1: phi = 0.159034724534 TCL: Center of mass = 14.372596204 -0.885774259341 0.330997279309 TCL: atom 1: phi = 0.159123430829 TCL: Center of mass = 14.3745090416 -0.885923836017 0.331512347359 TCL: atom 1: phi = 0.159550748751 TCL: Center of mass = 14.3764393545 -0.886030734673 0.332025922089 TCL: atom 1: phi = 0.160009658377 TCL: Center of mass = 14.3784000987 -0.886081454202 0.332511437423 TCL: atom 1: phi = 0.160555624136 TCL: Center of mass = 14.3803388926 -0.886093826937 0.333020124652 TCL: atom 1: phi = 0.160957202426 TCL: Center of mass = 14.3822615162 -0.886088695411 0.333564052696 TCL: atom 1: phi = 0.161406297382 TCL: Center of mass = 14.3841466221 -0.886085195258 0.334151026063 TCL: atom 1: phi = 0.161734901897 TCL: Center of mass = 14.3859652534 -0.886113620309 0.334772168397 TCL: atom 1: phi = 0.162189400854 TCL: Center of mass = 14.3877133902 -0.886166764906 0.33541311694 TCL: atom 1: phi = 0.16259461477 TCL: Center of mass = 14.3894341365 -0.886274575746 0.336069803902 TCL: atom 1: phi = 0.163154211448 TCL: Center of mass = 14.3911312529 -0.886400405576 0.336736404169 TCL: atom 1: phi = 0.163613098756 TCL: Center of mass = 14.3928541621 -0.886540322532 0.337376769273 TCL: atom 1: phi = 0.164146593819 TCL: Center of mass = 14.3945956967 -0.886691556226 0.337996306978 TCL: atom 1: phi = 0.164513025967 TCL: Center of mass = 14.3963756465 -0.886838439319 0.338614521037 TCL: atom 1: phi = 0.164846660837 TCL: Center of mass = 14.3981937569 -0.88695045877 0.339220740328 TCL: atom 1: phi = 0.1649323559 TCL: Center of mass = 14.4000177458 -0.887050326702 0.33983268858 TCL: atom 1: phi = 0.164985801388 TCL: Center of mass = 14.4018368201 -0.887154857193 0.340442003187 TCL: atom 1: phi = 0.16479654177 TCL: Center of mass = 14.4036662066 -0.887273677113 0.34107024837 TCL: atom 1: phi = 0.164676189882 TCL: Center of mass = 14.4054807647 -0.887437409942 0.34170776808 TCL: atom 1: phi = 0.164393565594 TCL: Center of mass = 14.4073001088 -0.887643246295 0.342356134811 TCL: atom 1: phi = 0.164229941871 TCL: Center of mass = 14.4091042848 -0.887876947366 0.342991936222 TCL: atom 1: phi = 0.164004224683 TCL: Center of mass = 14.4109226217 -0.888142509281 0.343605719922 TCL: atom 1: phi = 0.163850387779 TCL: Center of mass = 14.4127621846 -0.888418781307 0.344157908997 TCL: atom 1: phi = 0.163562280156 TCL: Center of mass = 14.4146552807 -0.888691360972 0.344676170876 TCL: atom 1: phi = 0.163234402378 TCL: Center of mass = 14.4165752803 -0.888938676972 0.345138229996 TCL: atom 1: phi = 0.162753235336 TCL: Center of mass = 14.4185373727 -0.889194366331 0.34560907606 TCL: atom 1: phi = 0.162361717538 TCL: Center of mass = 14.4205030239 -0.889430382186 0.346057843693 TCL: atom 1: phi = 0.161857325611 TCL: Center of mass = 14.4224502277 -0.889663257321 0.3465101867 TCL: atom 1: phi = 0.161401074106 TCL: Center of mass = 14.4243652352 -0.889894823413 0.346957484154 TCL: atom 1: phi = 0.16092463406 TCL: Center of mass = 14.4262522776 -0.890132336061 0.347410435514 TCL: atom 1: phi = 0.160578874919 TCL: Center of mass = 14.428094173 -0.890382258228 0.347857004284 TCL: atom 1: phi = 0.160289752069 TCL: Center of mass = 14.4299272971 -0.890637430725 0.348295284553 TCL: atom 1: phi = 0.160227761484 TCL: Center of mass = 14.4317342179 -0.890909969274 0.348711671053 TCL: atom 1: phi = 0.160214891161 TCL: Center of mass = 14.4335521581 -0.891202244532 0.349114359168 TCL: atom 1: phi = 0.160331885056 TCL: Center of mass = 14.4353539292 -0.891498597298 0.349502405841 TCL: atom 1: phi = 0.160392436631 TCL: Center of mass = 14.4371641483 -0.891811487514 0.3499096625 TCL: atom 1: phi = 0.160588997239 TCL: Center of mass = 14.4389671106 -0.892111343154 0.350307208557 TCL: atom 1: phi = 0.160693341157 TCL: Center of mass = 14.4407958507 -0.89241551977 0.350709669112 TCL: atom 1: phi = 0.160838213311 TCL: Center of mass = 14.4426021112 -0.892693175764 0.351109424083 TCL: atom 1: phi = 0.160990791798 TCL: Center of mass = 14.4443986748 -0.892940817758 0.351506822183 TCL: atom 1: phi = 0.161245011095 TCL: Center of mass = 14.4461627203 -0.893157294856 0.351892325625 TCL: atom 1: phi = 0.161562562257 TCL: Center of mass = 14.4479111121 -0.893376955975 0.35225916887 TCL: atom 1: phi = 0.162090776912 TCL: Center of mass = 14.4496252976 -0.893563599503 0.352599742565 TCL: atom 1: phi = 0.162643172603 TCL: Center of mass = 14.4513417337 -0.893760251166 0.352930570036 TCL: atom 1: phi = 0.163295805977 TCL: Center of mass = 14.4530461148 -0.893958520971 0.353238045395 TCL: atom 1: phi = 0.163838484725 TCL: Center of mass = 14.4547610223 -0.894153734474 0.353524120557 TCL: atom 1: phi = 0.164394111945 TCL: Center of mass = 14.4564908776 -0.894335043936 0.35380010672 TCL: atom 1: phi = 0.16476127803 TCL: Center of mass = 14.4582337236 -0.894493967377 0.354067000388 TCL: atom 1: phi = 0.165051610323 TCL: Center of mass = 14.4599839713 -0.894604617151 0.354338488598 TCL: atom 1: phi = 0.165170589038 TCL: Center of mass = 14.4617661788 -0.894656766592 0.354607071635 TCL: atom 1: phi = 0.16532278198 TCL: Center of mass = 14.4635297404 -0.894661478863 0.354869441954 TCL: atom 1: phi = 0.165347238613 TCL: Center of mass = 14.4652892638 -0.894635588691 0.355137720562 TCL: atom 1: phi = 0.165501313046 TCL: Center of mass = 14.4670411133 -0.894575064228 0.355411793384 TCL: atom 1: phi = 0.165608172635 TCL: Center of mass = 14.4687961708 -0.894520322746 0.355697467785 TCL: atom 1: phi = 0.165831441343 TCL: Center of mass = 14.4705095066 -0.894472954682 0.355977098707 TCL: atom 1: phi = 0.16599297646 TCL: Center of mass = 14.4722230762 -0.894457201672 0.356228099862 TCL: atom 1: phi = 0.166204944088 TCL: Center of mass = 14.4739119764 -0.894450733259 0.356465724223 TCL: atom 1: phi = 0.16635233486 TCL: Center of mass = 14.4755913821 -0.894464922234 0.356673392467 TCL: atom 1: phi = 0.166548589067 TCL: Center of mass = 14.477273639 -0.894464614269 0.356850748712 TCL: atom 1: phi = 0.16662042564 TCL: Center of mass = 14.478978153 -0.894430252112 0.356997630139 TCL: atom 1: phi = 0.166805072194 TCL: Center of mass = 14.480680993 -0.894367471015 0.357111695996 TCL: atom 1: phi = 0.166976077558 TCL: Center of mass = 14.48237421 -0.894302559709 0.357199156636 TCL: atom 1: phi = 0.167319965598 TCL: Center of mass = 14.4840571114 -0.894259648713 0.357259164188 TCL: atom 1: phi = 0.167710378032 TCL: Center of mass = 14.4857033467 -0.894239918496 0.35729313101 TCL: atom 1: phi = 0.168254417461 TCL: Center of mass = 14.4873364061 -0.894289967532 0.357293584509 TCL: atom 1: phi = 0.168797238107 TCL: Center of mass = 14.488937581 -0.894412017393 0.357287385992 TCL: atom 1: phi = 0.169464810354 TCL: Center of mass = 14.4905122609 -0.894597749667 0.357266970795 TCL: atom 1: phi = 0.170028131663 TCL: Center of mass = 14.4920623613 -0.894840989709 0.357217020112 TCL: atom 1: phi = 0.170604498612 TCL: Center of mass = 14.4936139251 -0.895095568908 0.357147025059 TCL: atom 1: phi = 0.17100235932 TCL: Center of mass = 14.4951869072 -0.895340504339 0.357035036176 TCL: atom 1: phi = 0.171410668413 TCL: Center of mass = 14.496785768 -0.895545534444 0.356876865174 TCL: atom 1: phi = 0.171735855181 TCL: Center of mass = 14.4984181402 -0.895710738137 0.356701109992 TCL: atom 1: phi = 0.172141177925 TCL: Center of mass = 14.500054463 -0.895815424895 0.356537970519 TCL: atom 1: phi = 0.172512578645 TCL: Center of mass = 14.5016916139 -0.895893510518 0.35637942361 TCL: atom 1: phi = 0.173022966985 TCL: Center of mass = 14.5032952545 -0.895966671878 0.356234235763 TCL: atom 1: phi = 0.173515336977 TCL: Center of mass = 14.5048854492 -0.896050473364 0.356131906911 TCL: atom 1: phi = 0.174152769155 TCL: Center of mass = 14.5064413841 -0.89614625251 0.356075876153 TCL: atom 1: phi = 0.174698759284 TCL: Center of mass = 14.5079820386 -0.896248096572 0.356035422276 TCL: atom 1: phi = 0.17525053081 TCL: Center of mass = 14.5095012788 -0.896353593103 0.356022539881 TCL: atom 1: phi = 0.175701224641 TCL: Center of mass = 14.5110368504 -0.896447984331 0.356016516289 TCL: atom 1: phi = 0.176201804715 TCL: Center of mass = 14.512578163 -0.896513960875 0.356000069233 TCL: atom 1: phi = 0.176621027321 TCL: Center of mass = 14.5141408918 -0.896546720166 0.355974179619 TCL: atom 1: phi = 0.177175638253 TCL: Center of mass = 14.515711076 -0.896563471925 0.355944100519 TCL: atom 1: phi = 0.177797956391 TCL: Center of mass = 14.5172977978 -0.896567009026 0.35593346482 TCL: atom 1: phi = 0.178620429047 TCL: Center of mass = 14.5188444006 -0.896573076984 0.35593344635 TCL: atom 1: phi = 0.179491834913 TIMING: 10700 CPU: 570.897, 0.0534619/step Wall: 683.265, 0.063668/step, 0.164476 hours remaining, 13608 kB of memory in use. ENERGY: 10700 3320.9168 2505.3464 387.7354 39.8752 -44534.9254 4091.7861 0.0000 0.0000 9823.6026 -24365.6629 291.2116 -24217.6337 -24228.3989 290.1736 2508.1123 -638.0964 125000.0000 -1185.3247 -1185.8105 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10700 WRITING COORDINATES TO DCD FILE AT STEP 10700 WRITING COORDINATES TO RESTART FILE AT STEP 10700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 14.520381216 -0.89661869558 0.355958825671 TCL: atom 1: phi = 0.180486591143 TCL: Center of mass = 14.5218889099 -0.896714254786 0.355992210206 TCL: atom 1: phi = 0.181369166523 TCL: Center of mass = 14.5233800146 -0.89686863418 0.356030107338 TCL: atom 1: phi = 0.182220161405 TCL: Center of mass = 14.5248304334 -0.897071338455 0.356066782324 TCL: atom 1: phi = 0.182766131087 TCL: Center of mass = 14.5262986144 -0.897322849447 0.356093821431 TCL: atom 1: phi = 0.183242182652 TCL: Center of mass = 14.5277874385 -0.897598202877 0.356083402425 TCL: atom 1: phi = 0.183426390098 TCL: Center of mass = 14.5293246522 -0.897889464655 0.356049999427 TCL: atom 1: phi = 0.183588847591 TCL: Center of mass = 14.530885179 -0.898177497608 0.355967792134 TCL: atom 1: phi = 0.183509826832 TCL: Center of mass = 14.5324679432 -0.898450896001 0.355867776832 TCL: atom 1: phi = 0.183493383199 TCL: Center of mass = 14.5340421194 -0.898724462976 0.355785022519 TCL: atom 1: phi = 0.183391229728 TCL: Center of mass = 14.5356127604 -0.899015113936 0.355710847145 TCL: atom 1: phi = 0.18338215023 TCL: Center of mass = 14.537165763 -0.899308833174 0.355659221976 TCL: atom 1: phi = 0.183291937955 TCL: Center of mass = 14.5387028871 -0.89960378801 0.355637830298 TCL: atom 1: phi = 0.183241593021 TCL: Center of mass = 14.5402240453 -0.899864917196 0.355641483674 TCL: atom 1: phi = 0.183010973471 TCL: Center of mass = 14.5417532995 -0.900119989141 0.355662616215 TCL: atom 1: phi = 0.182762753561 TCL: Center of mass = 14.5433076111 -0.900340677428 0.355671601177 TCL: atom 1: phi = 0.182415060521 TCL: Center of mass = 14.5449136256 -0.900542358621 0.355658091781 TCL: atom 1: phi = 0.182174920324 TCL: Center of mass = 14.5465706159 -0.900700236628 0.355621891395 TCL: atom 1: phi = 0.181954261058 TCL: Center of mass = 14.5482760887 -0.900851376488 0.355561893408 TCL: atom 1: phi = 0.181941734618 TCL: Center of mass = 14.5499927928 -0.900954454056 0.355476721809 TCL: atom 1: phi = 0.182006565145 TCL: Center of mass = 14.5517209524 -0.901048145378 0.355398483604 TCL: atom 1: phi = 0.182311381767 TCL: Center of mass = 14.5534458485 -0.901122405411 0.355322486214 TCL: atom 1: phi = 0.182560451809 TCL: Center of mass = 14.5551537253 -0.901200951235 0.355256808484 TCL: atom 1: phi = 0.182921670403 TCL: Center of mass = 14.5568216606 -0.901276803142 0.355171808729 TCL: atom 1: phi = 0.183097758833 TCL: Center of mass = 14.5584691578 -0.901397419083 0.355062148641 TCL: atom 1: phi = 0.183196069077 TCL: Center of mass = 14.5600861816 -0.901505452637 0.35490229791 TCL: atom 1: phi = 0.183052810727 TCL: Center of mass = 14.5616936373 -0.901648165165 0.354704762883 TCL: atom 1: phi = 0.182844994397 TCL: Center of mass = 14.5632885085 -0.901802893944 0.354456940768 TCL: atom 1: phi = 0.1824090282 TCL: Center of mass = 14.5648787443 -0.902017470348 0.35417444789 TCL: atom 1: phi = 0.181997905123 TCL: Center of mass = 14.5664608884 -0.902228405802 0.353870003854 TCL: atom 1: phi = 0.181500304796 TCL: Center of mass = 14.5680368042 -0.902461591294 0.353565739484 TCL: atom 1: phi = 0.181136659709 TCL: Center of mass = 14.5695736967 -0.902664396038 0.353284106497 TCL: atom 1: phi = 0.180717787169 TCL: Center of mass = 14.5711165089 -0.902877654118 0.353017969847 TCL: atom 1: phi = 0.180362529775 TCL: Center of mass = 14.572622703 -0.903057084334 0.352789055678 TCL: atom 1: phi = 0.179888496834 TCL: Center of mass = 14.5741033149 -0.903226851691 0.35260351699 TCL: atom 1: phi = 0.179405808746 TCL: Center of mass = 14.5755495965 -0.903379225297 0.35246847269 TCL: atom 1: phi = 0.178825100043 TCL: Center of mass = 14.5769679726 -0.903543131681 0.352361959299 TCL: atom 1: phi = 0.178284442149 TCL: Center of mass = 14.5783637777 -0.903699529122 0.352279205241 TCL: atom 1: phi = 0.177780631371 TCL: Center of mass = 14.5797632981 -0.903870576566 0.352214406852 TCL: atom 1: phi = 0.177453976138 TCL: Center of mass = 14.5811837314 -0.904049074383 0.352171683418 TCL: atom 1: phi = 0.177299732769 TCL: Center of mass = 14.5826200503 -0.90422892597 0.352166222185 TCL: atom 1: phi = 0.177399505941 TCL: Center of mass = 14.584077675 -0.90436354438 0.352196874523 TCL: atom 1: phi = 0.17755745681 TCL: Center of mass = 14.585558921 -0.904454111426 0.352262350025 TCL: atom 1: phi = 0.177813309683 TCL: Center of mass = 14.5870463838 -0.904486576624 0.352340616234 TCL: atom 1: phi = 0.1780433501 TCL: Center of mass = 14.5885794599 -0.904482284793 0.352446521505 TCL: atom 1: phi = 0.178245682051 TCL: Center of mass = 14.5901184049 -0.904439741841 0.352575833051 TCL: atom 1: phi = 0.178293296766 TCL: Center of mass = 14.591665119 -0.904430848959 0.352721449884 TCL: atom 1: phi = 0.178228345128 TCL: Center of mass = 14.593210048 -0.904443840864 0.352842631233 TCL: atom 1: phi = 0.178045575173 TCL: Center of mass = 14.5947547212 -0.90449558453 0.352968712324 TCL: atom 1: phi = 0.177847681654 TCL: Center of mass = 14.596289168 -0.90458408813 0.353095381461 TCL: atom 1: phi = 0.177608364582 TCL: Center of mass = 14.5978512367 -0.904718884774 0.353212500686 TCL: atom 1: phi = 0.177509030964 TCL: Center of mass = 14.5994116453 -0.904843179878 0.353330786397 TCL: atom 1: phi = 0.177398418362 TCL: Center of mass = 14.6009795722 -0.904979858335 0.353463208877 TCL: atom 1: phi = 0.177381828716 TCL: Center of mass = 14.6025374342 -0.905064578968 0.353619110839 TCL: atom 1: phi = 0.177202702833 TCL: Center of mass = 14.6041075738 -0.905122704209 0.353792531511 TCL: atom 1: phi = 0.176998269075 TCL: Center of mass = 14.6056429227 -0.905135945202 0.353975546612 TCL: atom 1: phi = 0.176657046994 TCL: Center of mass = 14.6071752719 -0.905145587291 0.354185081396 TCL: atom 1: phi = 0.176312328252 TCL: Center of mass = 14.6086633872 -0.905146353161 0.354403838203 TCL: atom 1: phi = 0.175917795756 TCL: Center of mass = 14.6101195099 -0.905176928978 0.354628422853 TCL: atom 1: phi = 0.175701745913 TCL: Center of mass = 14.6115479888 -0.905230650103 0.354853656862 TCL: atom 1: phi = 0.175631587912 TCL: Center of mass = 14.6129765686 -0.905319838664 0.355071896387 TCL: atom 1: phi = 0.175941402236 TCL: Center of mass = 14.6143920825 -0.905410621437 0.355282579987 TCL: atom 1: phi = 0.176449063953 TCL: Center of mass = 14.6158298468 -0.905465746691 0.355475184158 TCL: atom 1: phi = 0.177261594892 TCL: Center of mass = 14.6172842861 -0.905450351317 0.355644835098 TCL: atom 1: phi = 0.178041396571 TCL: Center of mass = 14.6187427325 -0.905379750921 0.355830795283 TCL: atom 1: phi = 0.178858766451 TCL: Center of mass = 14.620207154 -0.905238402556 0.356002487691 TCL: atom 1: phi = 0.179480200216 TCL: Center of mass = 14.621676102 -0.90509890652 0.356186314627 TCL: atom 1: phi = 0.180085248185 TCL: Center of mass = 14.623137325 -0.904963884008 0.35635448332 TCL: atom 1: phi = 0.180475216509 TCL: Center of mass = 14.6246114902 -0.904861702467 0.35653383922 TCL: atom 1: phi = 0.180952798712 TCL: Center of mass = 14.6260743765 -0.904796528338 0.356714099125 TCL: atom 1: phi = 0.181375508938 TCL: Center of mass = 14.6275203955 -0.904787511183 0.356905512619 TCL: atom 1: phi = 0.182015728675 TCL: Center of mass = 14.6289331589 -0.904780643461 0.357098714112 TCL: atom 1: phi = 0.182700349128 TCL: Center of mass = 14.6303699858 -0.904786141753 0.357304326443 TCL: atom 1: phi = 0.183535442548 TCL: Center of mass = 14.6318284635 -0.90475419199 0.357496988341 TCL: atom 1: phi = 0.184352372881 TCL: Center of mass = 14.6333083192 -0.904699914559 0.357690481551 TCL: atom 1: phi = 0.185218108519 TCL: Center of mass = 14.6348309587 -0.904612591349 0.357900582275 TCL: atom 1: phi = 0.185873316989 TCL: Center of mass = 14.6363781981 -0.904534964631 0.358134857879 TCL: atom 1: phi = 0.186447677337 TCL: Center of mass = 14.6379507468 -0.904457838433 0.358400532176 TCL: atom 1: phi = 0.186825896136 TCL: Center of mass = 14.6395282622 -0.90441452682 0.358699705323 TCL: atom 1: phi = 0.187265639941 TCL: Center of mass = 14.6411106231 -0.904383160852 0.359026136858 TCL: atom 1: phi = 0.187666296189 TCL: Center of mass = 14.6427026331 -0.904389922668 0.359393463214 TCL: atom 1: phi = 0.188316855007 TCL: Center of mass = 14.6443156207 -0.90437625505 0.359756744006 TCL: atom 1: phi = 0.188994655144 TCL: Center of mass = 14.6459760385 -0.904356208624 0.360093235719 TCL: atom 1: phi = 0.189916665544 TCL: Center of mass = 14.6476878893 -0.904294721372 0.360390445096 TCL: atom 1: phi = 0.190692510834 TCL: Center of mass = 14.6494293462 -0.904177427491 0.36064326986 TCL: atom 1: phi = 0.19147687204 TCL: Center of mass = 14.6512081372 -0.903999400479 0.360853599481 TCL: atom 1: phi = 0.191967420342 TCL: Center of mass = 14.6530222614 -0.903776866442 0.361034973104 TCL: atom 1: phi = 0.192292215876 TCL: Center of mass = 14.6548860549 -0.903515815175 0.361184534265 TCL: atom 1: phi = 0.192143899454 TCL: Center of mass = 14.6567757631 -0.903255132174 0.361349729392 TCL: atom 1: phi = 0.191872789854 TCL: Center of mass = 14.6586655343 -0.902995569805 0.361524575191 TCL: atom 1: phi = 0.191313758923 TCL: Center of mass = 14.6605676933 -0.902776077828 0.361718373002 TCL: atom 1: phi = 0.190792603655 TCL: Center of mass = 14.6624729267 -0.90254708471 0.361895656491 TCL: atom 1: phi = 0.19015212598 TCL: Center of mass = 14.6643980494 -0.90234397152 0.362040920949 TCL: atom 1: phi = 0.189721911687 TCL: Center of mass = 14.6663466305 -0.90213022626 0.362147471135 TCL: atom 1: phi = 0.189243564602 TCL: Center of mass = 14.6682818204 -0.901934074686 0.362213036164 TCL: atom 1: phi = 0.188824400633 TCL: Center of mass = 14.670212713 -0.901746097256 0.362245683192 TCL: atom 1: phi = 0.188225317174 TCL: Center of mass = 14.6721292249 -0.90157882677 0.362240211519 TCL: atom 1: phi = 0.187656818577 TCL: Center of mass = 14.6740628202 -0.901415812089 0.362220182295 TCL: atom 1: phi = 0.187023390337 TCL: Center of mass = 14.6760012546 -0.901284193358 0.362231227503 TCL: atom 1: phi = 0.186466508897 TCL: Center of mass = 14.6779302988 -0.901169212382 0.362273896018 TCL: atom 1: phi = 0.185981337739 TIMING: 10800 CPU: 576.264, 0.0536718/step Wall: 689.619, 0.0635357/step, 0.162369 hours remaining, 13608 kB of memory in use. ENERGY: 10800 3319.7768 2543.0001 380.0288 37.0823 -44592.4995 4137.2206 0.0000 0.0000 9783.7484 -24391.6425 290.0301 -24244.0708 -24251.5909 291.1525 2276.4932 -690.0063 125000.0000 -1015.7598 -1010.5361 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10800 WRITING COORDINATES TO DCD FILE AT STEP 10800 WRITING COORDINATES TO RESTART FILE AT STEP 10800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 14.6798416966 -0.901092631077 0.362360457361 TCL: atom 1: phi = 0.185809073486 TCL: Center of mass = 14.681752853 -0.901022880197 0.362483644041 TCL: atom 1: phi = 0.185895897376 TCL: Center of mass = 14.6836620075 -0.900983949023 0.3626318356 TCL: atom 1: phi = 0.186399576721 TCL: Center of mass = 14.6855799074 -0.900946166905 0.362764968876 TCL: atom 1: phi = 0.187128908742 TCL: Center of mass = 14.6875164201 -0.900909503946 0.362885659955 TCL: atom 1: phi = 0.18811495816 TCL: Center of mass = 14.6894771666 -0.900877235774 0.362972464437 TCL: atom 1: phi = 0.189127264436 TCL: Center of mass = 14.6914748435 -0.900843683262 0.36301958414 TCL: atom 1: phi = 0.190255222589 TCL: Center of mass = 14.693491059 -0.90080080846 0.363057882482 TCL: atom 1: phi = 0.191288307221 TCL: Center of mass = 14.6955233688 -0.900736455633 0.363080972394 TCL: atom 1: phi = 0.192308106806 TCL: Center of mass = 14.6975578538 -0.900661207904 0.363101061507 TCL: atom 1: phi = 0.193226980422 TCL: Center of mass = 14.6995856137 -0.900581255217 0.363120906915 TCL: atom 1: phi = 0.194214654141 TCL: Center of mass = 14.7015859908 -0.900475682035 0.363142074044 TCL: atom 1: phi = 0.195203678275 TCL: Center of mass = 14.7035758145 -0.900351173547 0.363170061725 TCL: atom 1: phi = 0.196351813178 TCL: Center of mass = 14.7055486575 -0.900191170963 0.363156455595 TCL: atom 1: phi = 0.197487085487 TCL: Center of mass = 14.707539919 -0.899997624297 0.363096332503 TCL: atom 1: phi = 0.198782625267 TCL: Center of mass = 14.7095357048 -0.899799218165 0.362971875222 TCL: atom 1: phi = 0.199987969512 TCL: Center of mass = 14.711546451 -0.89962641249 0.362782212317 TCL: atom 1: phi = 0.20117016105 TCL: Center of mass = 14.713542345 -0.899452175485 0.362555930696 TCL: atom 1: phi = 0.202192437776 TCL: Center of mass = 14.7155506603 -0.89929181099 0.362312485826 TCL: atom 1: phi = 0.203187738414 TCL: Center of mass = 14.7175409413 -0.899113964313 0.362058890327 TCL: atom 1: phi = 0.204081878497 TCL: Center of mass = 14.7195293007 -0.89893609788 0.361827849881 TCL: atom 1: phi = 0.20509083715 TCL: Center of mass = 14.7214849556 -0.898746002864 0.361622826843 TCL: atom 1: phi = 0.206103458789 TCL: Center of mass = 14.7234414823 -0.898534706812 0.361423820347 TCL: atom 1: phi = 0.207370472283 TCL: Center of mass = 14.7253464858 -0.898297479972 0.361239180594 TCL: atom 1: phi = 0.208668536499 TCL: Center of mass = 14.7272279071 -0.898044698841 0.361048638886 TCL: atom 1: phi = 0.210156764791 TCL: Center of mass = 14.7290603733 -0.897797622791 0.360866836433 TCL: atom 1: phi = 0.211469476648 TCL: Center of mass = 14.7309103559 -0.897574923704 0.360678117612 TCL: atom 1: phi = 0.212729565723 TCL: Center of mass = 14.7327186508 -0.897387849716 0.360517379775 TCL: atom 1: phi = 0.213601282552 TCL: Center of mass = 14.7345371575 -0.897225435336 0.360367523615 TCL: atom 1: phi = 0.214329915791 TCL: Center of mass = 14.7363401698 -0.897069544618 0.360219541334 TCL: atom 1: phi = 0.214685000586 TCL: Center of mass = 14.7381642729 -0.896911642612 0.360085992337 TCL: atom 1: phi = 0.215030287973 TCL: Center of mass = 14.7399485576 -0.896729607847 0.359954467074 TCL: atom 1: phi = 0.215119661562 TCL: Center of mass = 14.7417197836 -0.89653403866 0.359820722724 TCL: atom 1: phi = 0.215252112507 TCL: Center of mass = 14.7434663161 -0.896298299824 0.359676149621 TCL: atom 1: phi = 0.215310767529 TCL: Center of mass = 14.7452033077 -0.89605138835 0.359501619392 TCL: atom 1: phi = 0.215473215861 TCL: Center of mass = 14.7468965552 -0.895808796139 0.359317028486 TCL: atom 1: phi = 0.215410403936 TCL: Center of mass = 14.7485821778 -0.895615200488 0.35913048479 TCL: atom 1: phi = 0.215379971878 TCL: Center of mass = 14.750224123 -0.895464963134 0.358918532635 TCL: atom 1: phi = 0.215104333748 TCL: Center of mass = 14.75188621 -0.895378794431 0.35866553547 TCL: atom 1: phi = 0.21483859537 TCL: Center of mass = 14.7535268194 -0.895341274522 0.358373796552 TCL: atom 1: phi = 0.214394031025 TCL: Center of mass = 14.7551933354 -0.895349348797 0.358047017687 TCL: atom 1: phi = 0.214084955225 TCL: Center of mass = 14.7568594055 -0.895344165471 0.357676785985 TCL: atom 1: phi = 0.21383936218 TCL: Center of mass = 14.7585372061 -0.895343657796 0.357271525592 TCL: atom 1: phi = 0.213940595179 TCL: Center of mass = 14.7601955468 -0.895323388522 0.356804604032 TCL: atom 1: phi = 0.214179601859 TCL: Center of mass = 14.7618715332 -0.89529148827 0.35633315832 TCL: atom 1: phi = 0.214728569961 TCL: Center of mass = 14.7635154109 -0.895246141858 0.355873493872 TCL: atom 1: phi = 0.21528276382 TCL: Center of mass = 14.7651461103 -0.895233120207 0.355441438536 TCL: atom 1: phi = 0.215991974949 TCL: Center of mass = 14.7667325115 -0.895256436214 0.355045233856 TCL: atom 1: phi = 0.216508952227 TCL: Center of mass = 14.7683159105 -0.895324700025 0.354691264574 TCL: atom 1: phi = 0.216976263418 TCL: Center of mass = 14.7698769806 -0.895428460579 0.354346468779 TCL: atom 1: phi = 0.217169539444 TCL: Center of mass = 14.7714422809 -0.895547080596 0.354008016791 TCL: atom 1: phi = 0.21738279273 TCL: Center of mass = 14.7729988419 -0.89562233143 0.353672786977 TCL: atom 1: phi = 0.21744731637 TCL: Center of mass = 14.7745708999 -0.895680565395 0.353325393724 TCL: atom 1: phi = 0.217653659414 TCL: Center of mass = 14.7761312706 -0.895662960128 0.352962089348 TCL: atom 1: phi = 0.217874516929 TCL: Center of mass = 14.7776875304 -0.895599510637 0.352615385134 TCL: atom 1: phi = 0.21829983407 TCL: Center of mass = 14.7791975855 -0.895490945365 0.352287363966 TCL: atom 1: phi = 0.218623909165 TCL: Center of mass = 14.7806912825 -0.895364290654 0.351987829366 TCL: atom 1: phi = 0.219068732891 TCL: Center of mass = 14.7821333999 -0.895250264887 0.351741877238 TCL: atom 1: phi = 0.219324620068 TCL: Center of mass = 14.7835602522 -0.895187182728 0.351512306502 TCL: atom 1: phi = 0.21967870322 TCL: Center of mass = 14.7849460879 -0.89515970639 0.351296604896 TCL: atom 1: phi = 0.219935866027 TCL: Center of mass = 14.7863455629 -0.895138247406 0.351055113466 TCL: atom 1: phi = 0.22035353319 TCL: Center of mass = 14.7877404271 -0.895114960233 0.350792467535 TCL: atom 1: phi = 0.220773103575 TCL: Center of mass = 14.7891914083 -0.895095137273 0.350489327879 TCL: atom 1: phi = 0.221565002728 TCL: Center of mass = 14.7906470053 -0.895030003985 0.350155469885 TCL: atom 1: phi = 0.222468438514 TCL: Center of mass = 14.7921486561 -0.89494543677 0.349769089516 TCL: atom 1: phi = 0.223707979138 TCL: Center of mass = 14.7936354602 -0.894819107258 0.349353605793 TCL: atom 1: phi = 0.224972822083 TCL: Center of mass = 14.7951035047 -0.894696406352 0.348946969808 TCL: atom 1: phi = 0.226436073318 TCL: Center of mass = 14.7965393909 -0.894563946235 0.348550238739 TCL: atom 1: phi = 0.227663162606 TCL: Center of mass = 14.797963759 -0.894483373582 0.348159315956 TCL: atom 1: phi = 0.228858040756 TCL: Center of mass = 14.7993712522 -0.894424491177 0.347807922285 TCL: atom 1: phi = 0.229763462627 TCL: Center of mass = 14.8008008207 -0.894396939077 0.347476286856 TCL: atom 1: phi = 0.230652945714 TCL: Center of mass = 14.8022646933 -0.894346896103 0.347136173549 TCL: atom 1: phi = 0.231324726654 TCL: Center of mass = 14.8037948555 -0.894292892311 0.346779753801 TCL: atom 1: phi = 0.23207468831 TCL: Center of mass = 14.8053835714 -0.894196213995 0.34640537732 TCL: atom 1: phi = 0.232650453087 TCL: Center of mass = 14.807057143 -0.894087790409 0.346003022288 TCL: atom 1: phi = 0.233297778548 TCL: Center of mass = 14.8087729902 -0.89392246604 0.345589608969 TCL: atom 1: phi = 0.233687988782 TCL: Center of mass = 14.8105364611 -0.893750656328 0.345182493642 TCL: atom 1: phi = 0.233995896605 TCL: Center of mass = 14.8123005277 -0.893536676079 0.344808519103 TCL: atom 1: phi = 0.23394589507 TCL: Center of mass = 14.8140793211 -0.893342395991 0.344495628533 TCL: atom 1: phi = 0.233788159351 TCL: Center of mass = 14.8158337136 -0.893125225792 0.344221420073 TCL: atom 1: phi = 0.23336555917 TCL: Center of mass = 14.8176086665 -0.892912680904 0.343999825531 TCL: atom 1: phi = 0.232959600022 TCL: Center of mass = 14.819374385 -0.89268384967 0.343781005048 TCL: atom 1: phi = 0.23245031911 TCL: Center of mass = 14.8211590968 -0.892450903296 0.34355559403 TCL: atom 1: phi = 0.23212148106 TCL: Center of mass = 14.8229577928 -0.89219128285 0.343301192 TCL: atom 1: phi = 0.231859650579 TCL: Center of mass = 14.8247762156 -0.891939879961 0.343006536458 TCL: atom 1: phi = 0.231874841145 TCL: Center of mass = 14.8265839115 -0.891669803613 0.342668889641 TCL: atom 1: phi = 0.231844188632 TCL: Center of mass = 14.8283981539 -0.891412094389 0.342292928212 TCL: atom 1: phi = 0.231992094001 TCL: Center of mass = 14.8301955704 -0.891133602765 0.341904833796 TCL: atom 1: phi = 0.232031338905 TCL: Center of mass = 14.8319613744 -0.890869047422 0.341514231411 TCL: atom 1: phi = 0.232098578482 TCL: Center of mass = 14.833664394 -0.890582072132 0.34112206385 TCL: atom 1: phi = 0.232040811861 TCL: Center of mass = 14.8353104387 -0.890321339828 0.340740596628 TCL: atom 1: phi = 0.231981115424 TCL: Center of mass = 14.8368868794 -0.890053826304 0.340352862947 TCL: atom 1: phi = 0.231779551072 TCL: Center of mass = 14.838450789 -0.889792027608 0.339939446216 TCL: atom 1: phi = 0.231711641694 TCL: Center of mass = 14.8399859733 -0.889553840721 0.33949278672 TCL: atom 1: phi = 0.231530227312 TCL: Center of mass = 14.8415090057 -0.88933297086 0.339017671349 TCL: atom 1: phi = 0.231439434039 TCL: Center of mass = 14.8430047325 -0.889146315133 0.338512203795 TCL: atom 1: phi = 0.231240918209 TCL: Center of mass = 14.8445226592 -0.888970707491 0.338003787443 TCL: atom 1: phi = 0.231021949142 TCL: Center of mass = 14.8460232778 -0.888807553984 0.337491149291 TCL: atom 1: phi = 0.230573517032 TCL: Center of mass = 14.847541166 -0.888665648434 0.337007931329 TCL: atom 1: phi = 0.229955394082 TCL: Center of mass = 14.849030602 -0.888502192793 0.336547741716 TCL: atom 1: phi = 0.229070036631 TIMING: 10900 CPU: 581.634, 0.0536918/step Wall: 695.936, 0.0631751/step, 0.159693 hours remaining, 13608 kB of memory in use. ENERGY: 10900 3373.4253 2538.0636 385.9629 40.1912 -44536.3451 4055.7671 0.0000 0.0000 9796.6337 -24346.3012 290.4121 -24197.8283 -24208.1350 291.0515 1919.2503 -1160.2337 125000.0000 -978.9919 -984.6845 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10900 WRITING COORDINATES TO DCD FILE AT STEP 10900 WRITING COORDINATES TO RESTART FILE AT STEP 10900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 14.8505261996 -0.888343121854 0.336117385114 TCL: atom 1: phi = 0.228152257266 TCL: Center of mass = 14.8519819671 -0.888154272128 0.335728150096 TCL: atom 1: phi = 0.227103460493 TCL: Center of mass = 14.8534341585 -0.887957542939 0.335381251521 TCL: atom 1: phi = 0.226162049461 TCL: Center of mass = 14.8548626745 -0.887759564389 0.335059177217 TCL: atom 1: phi = 0.225203031179 TCL: Center of mass = 14.856290582 -0.88760059273 0.334710441925 TCL: atom 1: phi = 0.224456617397 TCL: Center of mass = 14.8576980214 -0.887456850424 0.334362509211 TCL: atom 1: phi = 0.223748075191 TCL: Center of mass = 14.8591175561 -0.887350227653 0.334017769732 TCL: atom 1: phi = 0.22322282349 TCL: Center of mass = 14.8605278659 -0.887275709869 0.333665528644 TCL: atom 1: phi = 0.222676082238 TCL: Center of mass = 14.8619851611 -0.887245720615 0.333290383057 TCL: atom 1: phi = 0.22218044583 TCL: Center of mass = 14.8634471096 -0.887219753507 0.332903623092 TCL: atom 1: phi = 0.221528855723 TCL: Center of mass = 14.8649310413 -0.88717871546 0.332515976321 TCL: atom 1: phi = 0.220845965562 TCL: Center of mass = 14.8663863871 -0.887107477209 0.33212128826 TCL: atom 1: phi = 0.220042164474 TCL: Center of mass = 14.8678147881 -0.887030597851 0.331730614386 TCL: atom 1: phi = 0.219281236521 TCL: Center of mass = 14.8692063357 -0.886930831825 0.331301985649 TCL: atom 1: phi = 0.218445089421 TCL: Center of mass = 14.870580912 -0.886846366057 0.330852702094 TCL: atom 1: phi = 0.217756080023 TCL: Center of mass = 14.8718993469 -0.886787840139 0.330340579009 TCL: atom 1: phi = 0.217019758527 TCL: Center of mass = 14.8732020935 -0.886787479115 0.329794036727 TCL: atom 1: phi = 0.216327046134 TCL: Center of mass = 14.8744726344 -0.88681620466 0.329238120887 TCL: atom 1: phi = 0.215528376668 TCL: Center of mass = 14.8757719938 -0.88689046965 0.328676640119 TCL: atom 1: phi = 0.214720924144 TCL: Center of mass = 14.8770929337 -0.886962075521 0.328108263373 TCL: atom 1: phi = 0.213760734563 TCL: Center of mass = 14.8784568088 -0.887002945311 0.327545881446 TCL: atom 1: phi = 0.212890214777 TCL: Center of mass = 14.8798168924 -0.886989485262 0.326976905758 TCL: atom 1: phi = 0.211950900705 TCL: Center of mass = 14.8812141932 -0.886949685363 0.326397251831 TCL: atom 1: phi = 0.211163537968 TCL: Center of mass = 14.8825889776 -0.886861884323 0.325799885915 TCL: atom 1: phi = 0.21044318687 TCL: Center of mass = 14.8839580636 -0.886758205257 0.3252037792 TCL: atom 1: phi = 0.209990501967 TCL: Center of mass = 14.8852831898 -0.886661412521 0.324621754844 TCL: atom 1: phi = 0.209757065022 TCL: Center of mass = 14.8865785265 -0.886596861086 0.324072294626 TCL: atom 1: phi = 0.209854181521 TCL: Center of mass = 14.8878208979 -0.886565475673 0.323543076268 TCL: atom 1: phi = 0.210120476909 TCL: Center of mass = 14.8890846937 -0.886594883326 0.323020667092 TCL: atom 1: phi = 0.210627139411 TCL: Center of mass = 14.8903346192 -0.886647576248 0.322523733463 TCL: atom 1: phi = 0.211207637859 TCL: Center of mass = 14.8916096549 -0.886721399824 0.32207636047 TCL: atom 1: phi = 0.212021445559 TCL: Center of mass = 14.8928851353 -0.886806405627 0.321622738305 TCL: atom 1: phi = 0.21291488963 TCL: Center of mass = 14.8941881661 -0.88687818578 0.321185572348 TCL: atom 1: phi = 0.2140222343 TCL: Center of mass = 14.8954625642 -0.886931014491 0.320745503816 TCL: atom 1: phi = 0.215261463599 TCL: Center of mass = 14.896722595 -0.886986586517 0.320301196042 TCL: atom 1: phi = 0.216704095163 TCL: Center of mass = 14.8979131491 -0.887053567656 0.319844473992 TCL: atom 1: phi = 0.218201978824 TCL: Center of mass = 14.8990560587 -0.887151648182 0.319381855352 TCL: atom 1: phi = 0.219843976197 TCL: Center of mass = 14.9001560746 -0.887274927882 0.31890016813 TCL: atom 1: phi = 0.221346273222 TCL: Center of mass = 14.9012466162 -0.887458790649 0.318414669644 TCL: atom 1: phi = 0.222871885323 TCL: Center of mass = 14.9023002945 -0.887671567064 0.317930206555 TCL: atom 1: phi = 0.224181321795 TCL: Center of mass = 14.9034014257 -0.887908533088 0.317424425308 TCL: atom 1: phi = 0.225454476227 TCL: Center of mass = 14.904521802 -0.888119806235 0.316865362447 TCL: atom 1: phi = 0.226518624979 TCL: Center of mass = 14.9056700037 -0.888291147008 0.316259531186 TCL: atom 1: phi = 0.227523859995 TCL: Center of mass = 14.9067948356 -0.888398464451 0.315621450729 TCL: atom 1: phi = 0.228382680419 TCL: Center of mass = 14.9079105028 -0.888474678777 0.314952696231 TCL: atom 1: phi = 0.229308714372 TCL: Center of mass = 14.908971076 -0.888517271437 0.314273520566 TCL: atom 1: phi = 0.230077000713 TCL: Center of mass = 14.9100022169 -0.888536167007 0.313602170447 TCL: atom 1: phi = 0.230892278996 TCL: Center of mass = 14.9109761958 -0.888539121956 0.312939531235 TCL: atom 1: phi = 0.231492256775 TCL: Center of mass = 14.9119636822 -0.888567045799 0.31228006352 TCL: atom 1: phi = 0.232088651111 TCL: Center of mass = 14.9129370898 -0.888608306364 0.311635731418 TCL: atom 1: phi = 0.23244286309 TCL: Center of mass = 14.913958091 -0.888697878749 0.310974888004 TCL: atom 1: phi = 0.232753268963 TCL: Center of mass = 14.9150006781 -0.888797003141 0.310311922708 TCL: atom 1: phi = 0.23287896722 TCL: Center of mass = 14.9161117776 -0.888901975033 0.309636637188 TCL: atom 1: phi = 0.232969599372 TCL: Center of mass = 14.9172609792 -0.888988924772 0.308957330795 TCL: atom 1: phi = 0.232872782702 TCL: Center of mass = 14.9184437886 -0.889085477 0.30826788967 TCL: atom 1: phi = 0.232818618642 TCL: Center of mass = 14.9196380551 -0.88920513876 0.307602903563 TCL: atom 1: phi = 0.232592476983 TCL: Center of mass = 14.9208228 -0.889341540174 0.306956080841 TCL: atom 1: phi = 0.232456741839 TCL: Center of mass = 14.9219695289 -0.889490306771 0.306340289352 TCL: atom 1: phi = 0.232148968785 TCL: Center of mass = 14.9230979989 -0.889657035963 0.305753124834 TCL: atom 1: phi = 0.23188726262 TCL: Center of mass = 14.9242220656 -0.889833955262 0.305166377014 TCL: atom 1: phi = 0.231465894736 TCL: Center of mass = 14.9253494836 -0.890021405513 0.304583237347 TCL: atom 1: phi = 0.231080065894 TCL: Center of mass = 14.9264885289 -0.89021626806 0.304013011564 TCL: atom 1: phi = 0.230567637828 TCL: Center of mass = 14.9276392767 -0.890418769731 0.303434174064 TCL: atom 1: phi = 0.230195578916 TCL: Center of mass = 14.9288088556 -0.890608133566 0.302848645155 TCL: atom 1: phi = 0.229718867163 TCL: Center of mass = 14.9300036404 -0.890775189327 0.302264290863 TCL: atom 1: phi = 0.229459501085 TCL: Center of mass = 14.9311990063 -0.890900413496 0.301712794218 TCL: atom 1: phi = 0.229209073546 TCL: Center of mass = 14.9324164142 -0.890964916703 0.301205754517 TCL: atom 1: phi = 0.229192839614 TCL: Center of mass = 14.9336302069 -0.890976712935 0.300752778557 TCL: atom 1: phi = 0.229258101669 TCL: Center of mass = 14.9348413281 -0.890932854708 0.300360580865 TCL: atom 1: phi = 0.229601122087 TCL: Center of mass = 14.9360464647 -0.890813453935 0.300009498273 TCL: atom 1: phi = 0.230003219109 TCL: Center of mass = 14.937270373 -0.890671806582 0.299696226452 TCL: atom 1: phi = 0.230653514369 TCL: Center of mass = 14.9385017481 -0.890491061887 0.299399397375 TCL: atom 1: phi = 0.231286048135 TCL: Center of mass = 14.9397569921 -0.89035581449 0.299115827942 TCL: atom 1: phi = 0.232108333502 TCL: Center of mass = 14.9410379443 -0.890237207149 0.298837752229 TCL: atom 1: phi = 0.232854889118 TCL: Center of mass = 14.9423462342 -0.890158497959 0.298551511244 TCL: atom 1: phi = 0.233735708768 TCL: Center of mass = 14.9436945989 -0.890107160156 0.298244362884 TCL: atom 1: phi = 0.234568988156 TCL: Center of mass = 14.945063698 -0.890064530956 0.297950934082 TCL: atom 1: phi = 0.235505761836 TCL: Center of mass = 14.9464339197 -0.890000928253 0.297690000985 TCL: atom 1: phi = 0.236244163418 TCL: Center of mass = 14.9477956305 -0.889950253694 0.297443037076 TCL: atom 1: phi = 0.236982591851 TCL: Center of mass = 14.9491613812 -0.889866979079 0.297214897142 TCL: atom 1: phi = 0.237458738673 TCL: Center of mass = 14.9505178549 -0.889747160272 0.296987377963 TCL: atom 1: phi = 0.23797920263 TCL: Center of mass = 14.9518376447 -0.889603320572 0.296756245262 TCL: atom 1: phi = 0.23819586237 TCL: Center of mass = 14.953146387 -0.889471023889 0.296511396756 TCL: atom 1: phi = 0.238390951316 TCL: Center of mass = 14.9544153084 -0.889348603476 0.296251068763 TCL: atom 1: phi = 0.238358617619 TCL: Center of mass = 14.9556758233 -0.889272217059 0.295949248928 TCL: atom 1: phi = 0.238402265924 TCL: Center of mass = 14.9569354781 -0.889197740873 0.295621254172 TCL: atom 1: phi = 0.23819006165 TCL: Center of mass = 14.9582158306 -0.889152189906 0.295288393049 TCL: atom 1: phi = 0.238086906454 TCL: Center of mass = 14.9595034826 -0.889097163501 0.294958682712 TCL: atom 1: phi = 0.237811567321 TCL: Center of mass = 14.9608055236 -0.889011002741 0.294648289495 TCL: atom 1: phi = 0.23756613526 TCL: Center of mass = 14.9620936484 -0.888866687616 0.294363863034 TCL: atom 1: phi = 0.237220187585 TCL: Center of mass = 14.9633937346 -0.888669954136 0.294125013082 TCL: atom 1: phi = 0.236946419799 TCL: Center of mass = 14.9646774607 -0.888419214621 0.293884383404 TCL: atom 1: phi = 0.236570271752 TCL: Center of mass = 14.9659394883 -0.888154011622 0.293660833223 TCL: atom 1: phi = 0.23634885093 TCL: Center of mass = 14.9671844915 -0.887861484702 0.293435343504 TCL: atom 1: phi = 0.236056030436 TCL: Center of mass = 14.9684357539 -0.887600238149 0.293212843295 TCL: atom 1: phi = 0.235990996571 TCL: Center of mass = 14.9696931036 -0.887367662058 0.29299467272 TCL: atom 1: phi = 0.235851484536 TCL: Center of mass = 14.9709820172 -0.887186163312 0.292805144126 TCL: atom 1: phi = 0.235871708625 TCL: Center of mass = 14.9723307626 -0.887031708624 0.292636322797 TCL: atom 1: phi = 0.235747539451 TCL: Center of mass = 14.973722213 -0.886901727856 0.292492227333 TCL: atom 1: phi = 0.23571517942 TCL: Center of mass = 14.9751580793 -0.886758379731 0.292363320662 TCL: atom 1: phi = 0.235520105527 WRITING COORDINATES TO DCD FILE AT STEP 11000 WRITING COORDINATES TO RESTART FILE AT STEP 11000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11000 FINISHED WRITING RESTART VELOCITIES TIMING: 11000 CPU: 587.015, 0.0538118/step Wall: 702.353, 0.0641649/step, 0.160412 hours remaining, 13608 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 11000 3385.3062 2496.2735 391.0619 36.0305 -44408.2082 3941.0373 0.0000 0.0000 9835.9212 -24322.5776 291.5767 -24174.2495 -24184.2381 291.8263 1628.6968 -1216.7489 125000.0000 -1113.1615 -1114.0171 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11000 TCL: Center of mass = 14.9766265173 -0.88658561414 0.29224710548 TCL: atom 1: phi = 0.235399660396 TCL: Center of mass = 14.978096797 -0.886365330108 0.292151695901 TCL: atom 1: phi = 0.23517930659 TCL: Center of mass = 14.9795725609 -0.886131315238 0.292075964345 TCL: atom 1: phi = 0.235109194818 TCL: Center of mass = 14.9810194743 -0.885884995347 0.292001723383 TCL: atom 1: phi = 0.234997829883 TCL: Center of mass = 14.9824513723 -0.885663599934 0.291926687086 TCL: atom 1: phi = 0.235043839425 TCL: Center of mass = 14.9838485358 -0.885466538337 0.291872162243 TCL: atom 1: phi = 0.235009797883 TCL: Center of mass = 14.9852329578 -0.885322228734 0.291812956895 TCL: atom 1: phi = 0.235136092038 TCL: Center of mass = 14.9866250671 -0.885196552223 0.29174471334 TCL: atom 1: phi = 0.235178101148 TCL: Center of mass = 14.9880621675 -0.885094301968 0.291691362343 TCL: atom 1: phi = 0.235367550497 TCL: Center of mass = 14.9895349483 -0.884966777443 0.291653272012 TCL: atom 1: phi = 0.235537670229 TCL: Center of mass = 14.9910413561 -0.884789958978 0.291624600609 TCL: atom 1: phi = 0.235958203138 TCL: Center of mass = 14.9925635364 -0.884536057824 0.291590272504 TCL: atom 1: phi = 0.236429815603 TCL: Center of mass = 14.9940944879 -0.884207308533 0.291540182591 TCL: atom 1: phi = 0.237146099975 TCL: Center of mass = 14.9955981443 -0.883839581047 0.291474066817 TCL: atom 1: phi = 0.237917383513 TCL: Center of mass = 14.9970942738 -0.883458292951 0.291423944477 TCL: atom 1: phi = 0.238896405649 TCL: Center of mass = 14.9985680554 -0.883086733358 0.291372472648 TCL: atom 1: phi = 0.23979324463 TCL: Center of mass = 15.0000565291 -0.882753090216 0.291324431812 TCL: atom 1: phi = 0.240783476625 TCL: Center of mass = 15.0015724287 -0.882432023865 0.29128292886 TCL: atom 1: phi = 0.241684230463 TCL: Center of mass = 15.0031168929 -0.882161710262 0.291260216472 TCL: atom 1: phi = 0.24261037214 TCL: Center of mass = 15.0047280169 -0.881914507003 0.291240925604 TCL: atom 1: phi = 0.243375111984 TCL: Center of mass = 15.0063913502 -0.881668349604 0.291208679112 TCL: atom 1: phi = 0.244226522018 TCL: Center of mass = 15.0080656031 -0.881426054559 0.291178584919 TCL: atom 1: phi = 0.24494039041 TCL: Center of mass = 15.009734946 -0.88118111561 0.291151399189 TCL: atom 1: phi = 0.245735021364 TCL: Center of mass = 15.0113693436 -0.880916955121 0.291115805959 TCL: atom 1: phi = 0.246367830262 TCL: Center of mass = 15.0129538159 -0.880654339418 0.291096212538 TCL: atom 1: phi = 0.246945846428 TCL: Center of mass = 15.0144549938 -0.880403623019 0.291064690836 TCL: atom 1: phi = 0.247293939159 TCL: Center of mass = 15.0159022728 -0.880183646811 0.291068520045 TCL: atom 1: phi = 0.247588891668 TCL: Center of mass = 15.0172855588 -0.88000855477 0.29108042229 TCL: atom 1: phi = 0.247646085608 TCL: Center of mass = 15.0186569225 -0.879858041935 0.291111247863 TCL: atom 1: phi = 0.247612490207 TCL: Center of mass = 15.0200082928 -0.879750938672 0.291143125903 TCL: atom 1: phi = 0.247385288909 TCL: Center of mass = 15.0213699572 -0.879684957205 0.291166541836 TCL: atom 1: phi = 0.247120348237 TCL: Center of mass = 15.0227340081 -0.879633188359 0.291191030284 TCL: atom 1: phi = 0.246856468726 TCL: Center of mass = 15.0241149636 -0.879565990835 0.291198048281 TCL: atom 1: phi = 0.246724318131 TCL: Center of mass = 15.0254918131 -0.879475489348 0.291183569917 TCL: atom 1: phi = 0.246568795661 TCL: Center of mass = 15.0268793677 -0.879367204367 0.291169337658 TCL: atom 1: phi = 0.246539751177 TCL: Center of mass = 15.0282515431 -0.879218369397 0.29116545788 TCL: atom 1: phi = 0.246405744133 TCL: Center of mass = 15.0296178773 -0.879041061461 0.291171315109 TCL: atom 1: phi = 0.246322101386 TCL: Center of mass = 15.0309773913 -0.878815612304 0.291160666512 TCL: atom 1: phi = 0.246073171373 TCL: Center of mass = 15.0323582649 -0.878590347094 0.291146924214 TCL: atom 1: phi = 0.245857980259 TCL: Center of mass = 15.0337365492 -0.87837669805 0.291104819316 TCL: atom 1: phi = 0.245494050455 TCL: Center of mass = 15.0351472606 -0.878185166461 0.291032388503 TCL: atom 1: phi = 0.245274031263 TCL: Center of mass = 15.036587149 -0.878034520983 0.290929376643 TCL: atom 1: phi = 0.245104816634 TCL: Center of mass = 15.0380599043 -0.877915304122 0.290810997356 TCL: atom 1: phi = 0.245160036924 TCL: Center of mass = 15.039562265 -0.87780169747 0.290655433976 TCL: atom 1: phi = 0.2452469392 TCL: Center of mass = 15.0411024874 -0.877683442395 0.290497937299 TCL: atom 1: phi = 0.24550008474 TCL: Center of mass = 15.0426277822 -0.877538579652 0.290327475249 TCL: atom 1: phi = 0.245644627685 TCL: Center of mass = 15.0441722228 -0.877384901112 0.290200793762 TCL: atom 1: phi = 0.245831522557 TCL: Center of mass = 15.0457198062 -0.877194357935 0.290113466145 TCL: atom 1: phi = 0.245850628597 TCL: Center of mass = 15.0472608419 -0.876997669381 0.290044311357 TCL: atom 1: phi = 0.245923542986 TCL: Center of mass = 15.0487605811 -0.876793033537 0.289975659147 TCL: atom 1: phi = 0.245952067553 TCL: Center of mass = 15.0502677444 -0.876615341585 0.289897016969 TCL: atom 1: phi = 0.246137273009 TCL: Center of mass = 15.0517594526 -0.876472855803 0.28979526552 TCL: atom 1: phi = 0.246391142634 TCL: Center of mass = 15.0532380974 -0.876375478288 0.289676418652 TCL: atom 1: phi = 0.246936519817 TCL: Center of mass = 15.0546892447 -0.876309273486 0.289503993748 TCL: atom 1: phi = 0.247603476098 TCL: Center of mass = 15.0561476133 -0.876250990306 0.289346628989 TCL: atom 1: phi = 0.248475545748 TCL: Center of mass = 15.0575864638 -0.876163136776 0.289208354663 TCL: atom 1: phi = 0.249370701025 TCL: Center of mass = 15.0590328094 -0.876052342599 0.289094432258 TCL: atom 1: phi = 0.25039507037 TCL: Center of mass = 15.0604614333 -0.87590123812 0.288988667994 TCL: atom 1: phi = 0.251189473204 TCL: Center of mass = 15.0618841557 -0.875715273528 0.288906925231 TCL: atom 1: phi = 0.251998564156 TCL: Center of mass = 15.0632765381 -0.875501642263 0.288801045322 TCL: atom 1: phi = 0.252617373758 TCL: Center of mass = 15.0646448671 -0.875303798109 0.288667054574 TCL: atom 1: phi = 0.25325636891 TCL: Center of mass = 15.0659769907 -0.875127623615 0.288496663084 TCL: atom 1: phi = 0.253852040539 TCL: Center of mass = 15.0673071964 -0.875000892843 0.288295115763 TCL: atom 1: phi = 0.254556214599 TCL: Center of mass = 15.068620562 -0.874939361008 0.288050411859 TCL: atom 1: phi = 0.255189085693 TCL: Center of mass = 15.0699487758 -0.874946881216 0.287783184752 TCL: atom 1: phi = 0.255943715176 TCL: Center of mass = 15.0712949227 -0.875011510508 0.287507017604 TCL: atom 1: phi = 0.256558311701 TCL: Center of mass = 15.0726672519 -0.875091628538 0.287258678884 TCL: atom 1: phi = 0.257051688764 TCL: Center of mass = 15.074036488 -0.875182310648 0.287055960915 TCL: atom 1: phi = 0.257277858476 TCL: Center of mass = 15.0754223319 -0.875281056856 0.286903608864 TCL: atom 1: phi = 0.25737935803 TCL: Center of mass = 15.076793982 -0.875360550139 0.286776996169 TCL: atom 1: phi = 0.257171968814 TCL: Center of mass = 15.0781544502 -0.875424558574 0.286667522771 TCL: atom 1: phi = 0.256809191927 TCL: Center of mass = 15.0794742167 -0.875492340098 0.286568427545 TCL: atom 1: phi = 0.256342108237 TCL: Center of mass = 15.0807545707 -0.875590197385 0.286465629782 TCL: atom 1: phi = 0.255995255002 TCL: Center of mass = 15.0819792677 -0.875731957067 0.286367940567 TCL: atom 1: phi = 0.255714117867 TCL: Center of mass = 15.0831714084 -0.875901265799 0.286270251725 TCL: atom 1: phi = 0.25566465821 TCL: Center of mass = 15.0843596206 -0.876089213903 0.286174882087 TCL: atom 1: phi = 0.255616623176 TCL: Center of mass = 15.0855458941 -0.876259506212 0.286109861717 TCL: atom 1: phi = 0.255700833983 TCL: Center of mass = 15.0867443553 -0.876401049261 0.286075794667 TCL: atom 1: phi = 0.2555694546 TCL: Center of mass = 15.0879583039 -0.87653899547 0.286072420207 TCL: atom 1: phi = 0.255404679844 TCL: Center of mass = 15.0891736651 -0.876625830103 0.286092832338 TCL: atom 1: phi = 0.255070283054 TCL: Center of mass = 15.0903856259 -0.876686980311 0.286116618046 TCL: atom 1: phi = 0.25471427501 TCL: Center of mass = 15.0915617133 -0.876718045579 0.28611250393 TCL: atom 1: phi = 0.254249181775 TCL: Center of mass = 15.0927163166 -0.876741803899 0.28608024543 TCL: atom 1: phi = 0.253914989465 TCL: Center of mass = 15.0938165906 -0.876767131405 0.286022207191 TCL: atom 1: phi = 0.253613325152 TCL: Center of mass = 15.0949039029 -0.87683377599 0.285922742768 TCL: atom 1: phi = 0.253495489465 TCL: Center of mass = 15.0959982184 -0.876908774399 0.285798197895 TCL: atom 1: phi = 0.253384326963 TCL: Center of mass = 15.0971416033 -0.876993416427 0.285666336648 TCL: atom 1: phi = 0.253327334347 TCL: Center of mass = 15.0983218902 -0.877067840115 0.285502166386 TCL: atom 1: phi = 0.253029465002 TCL: Center of mass = 15.0995406212 -0.877143930793 0.285337506909 TCL: atom 1: phi = 0.252662687309 TCL: Center of mass = 15.1007977516 -0.877207412354 0.285176314998 TCL: atom 1: phi = 0.251932303617 TCL: Center of mass = 15.1020879385 -0.877254216215 0.285016952997 TCL: atom 1: phi = 0.251112937691 TCL: Center of mass = 15.1033560361 -0.877258246157 0.284856014679 TCL: atom 1: phi = 0.250161514142 TCL: Center of mass = 15.1046099723 -0.877262905333 0.284698754648 TCL: atom 1: phi = 0.249376796532 TCL: Center of mass = 15.1058188524 -0.877256289931 0.284545753146 TCL: atom 1: phi = 0.248676456653 TCL: Center of mass = 15.1070142089 -0.877261745829 0.284405277409 TCL: atom 1: phi = 0.248281001611 TCL: Center of mass = 15.1081621104 -0.877276151961 0.28426614532 TCL: atom 1: phi = 0.2479973878 TCL: Center of mass = 15.109296264 -0.877315399562 0.284136108852 TCL: atom 1: phi = 0.247964205716 TCL: Center of mass = 15.1104244262 -0.877369339828 0.284013703661 TCL: atom 1: phi = 0.247790809557 TCL: Center of mass = 15.1115680869 -0.877413259259 0.283905767791 TCL: atom 1: phi = 0.247663626713 TCL: Center of mass = 15.1127310428 -0.877467248282 0.283826974201 TCL: atom 1: phi = 0.247295881263 TIMING: 11100 CPU: 592.388, 0.0537318/step Wall: 708.648, 0.0629515/step, 0.15563 hours remaining, 13608 kB of memory in use. ENERGY: 11100 3314.5697 2467.3121 384.6374 32.4782 -44377.4676 3945.2303 0.0000 0.0000 9881.4253 -24351.8147 292.9257 -24204.7415 -24211.6955 290.9368 1975.2194 -1164.8606 125000.0000 -1322.5931 -1326.1033 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11100 WRITING COORDINATES TO DCD FILE AT STEP 11100 WRITING COORDINATES TO RESTART FILE AT STEP 11100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.1139223223 -0.877493401566 0.283768115489 TCL: atom 1: phi = 0.246961463211 TCL: Center of mass = 15.1151137007 -0.877510274653 0.283716965213 TCL: atom 1: phi = 0.246539275431 TCL: Center of mass = 15.1163116626 -0.877514608032 0.283667083403 TCL: atom 1: phi = 0.246281387771 TCL: Center of mass = 15.1174915488 -0.877493299804 0.283621627315 TCL: atom 1: phi = 0.246060697553 TCL: Center of mass = 15.1186569191 -0.877452445008 0.283572989193 TCL: atom 1: phi = 0.246158024734 TCL: Center of mass = 15.1198080359 -0.877383018259 0.283534190409 TCL: atom 1: phi = 0.246319885653 TCL: Center of mass = 15.1209556078 -0.877312033726 0.28348897652 TCL: atom 1: phi = 0.246657588981 TCL: Center of mass = 15.1221181569 -0.877262651146 0.283460184604 TCL: atom 1: phi = 0.246879320503 TCL: Center of mass = 15.1233149116 -0.877247272691 0.28342691952 TCL: atom 1: phi = 0.247086812956 TCL: Center of mass = 15.1245512982 -0.877245555466 0.283370336758 TCL: atom 1: phi = 0.24706262511 TCL: Center of mass = 15.1258204681 -0.877272772565 0.283301239396 TCL: atom 1: phi = 0.247051808897 TCL: Center of mass = 15.1270851422 -0.877299659428 0.283223488955 TCL: atom 1: phi = 0.246898282337 TCL: Center of mass = 15.1283859596 -0.877328341412 0.283139208067 TCL: atom 1: phi = 0.246889987104 TCL: Center of mass = 15.1296869619 -0.877312374693 0.283063559188 TCL: atom 1: phi = 0.24697415698 TCL: Center of mass = 15.1310180376 -0.877270084851 0.283018775641 TCL: atom 1: phi = 0.247447625776 TCL: Center of mass = 15.1323495348 -0.877188532071 0.282979105703 TCL: atom 1: phi = 0.248105463817 TCL: Center of mass = 15.1336909768 -0.87706504095 0.282956368015 TCL: atom 1: phi = 0.249091845941 TCL: Center of mass = 15.1350339019 -0.876901021706 0.282970001167 TCL: atom 1: phi = 0.250086247918 TCL: Center of mass = 15.1363685855 -0.876714783808 0.283004883375 TCL: atom 1: phi = 0.251138881523 TCL: Center of mass = 15.1377001425 -0.876524321089 0.283054394512 TCL: atom 1: phi = 0.25197715106 TCL: Center of mass = 15.1390404451 -0.876352240478 0.283119970938 TCL: atom 1: phi = 0.252830121155 TCL: Center of mass = 15.1403769208 -0.876177940062 0.283183996868 TCL: atom 1: phi = 0.253455224771 TCL: Center of mass = 15.1416996193 -0.876009751962 0.283259187571 TCL: atom 1: phi = 0.254170225521 TCL: Center of mass = 15.1430258381 -0.875816774394 0.283348426371 TCL: atom 1: phi = 0.25486842364 TCL: Center of mass = 15.1443439568 -0.875616344789 0.283436665537 TCL: atom 1: phi = 0.255807507994 TCL: Center of mass = 15.1456600254 -0.875379807419 0.283527893615 TCL: atom 1: phi = 0.256774489456 TCL: Center of mass = 15.1469905922 -0.875101015556 0.283629897132 TCL: atom 1: phi = 0.257998755933 TCL: Center of mass = 15.1483157344 -0.874794565703 0.283733711368 TCL: atom 1: phi = 0.259023753741 TCL: Center of mass = 15.1496305896 -0.87449134949 0.283810264412 TCL: atom 1: phi = 0.259956464513 TCL: Center of mass = 15.1509105227 -0.874211990233 0.283838219454 TCL: atom 1: phi = 0.260576708169 TCL: Center of mass = 15.1521765211 -0.873962501758 0.283816046491 TCL: atom 1: phi = 0.261067154661 TCL: Center of mass = 15.1534093937 -0.873775179665 0.283735678571 TCL: atom 1: phi = 0.261286694208 TCL: Center of mass = 15.1546411008 -0.873642293868 0.283598265394 TCL: atom 1: phi = 0.261548231037 TCL: Center of mass = 15.1558756143 -0.873551490497 0.283428907539 TCL: atom 1: phi = 0.26169852199 TCL: Center of mass = 15.1571246054 -0.873498045326 0.283227123516 TCL: atom 1: phi = 0.262136538399 TCL: Center of mass = 15.15839859 -0.873430095924 0.283009049579 TCL: atom 1: phi = 0.262636373388 TCL: Center of mass = 15.1597113809 -0.873355889495 0.282791744576 TCL: atom 1: phi = 0.263389649925 TCL: Center of mass = 15.1610555793 -0.873256899295 0.282581113059 TCL: atom 1: phi = 0.264029183004 TCL: Center of mass = 15.1624239469 -0.873164218585 0.282347930412 TCL: atom 1: phi = 0.264671853407 TCL: Center of mass = 15.1637712596 -0.873071936619 0.282084434745 TCL: atom 1: phi = 0.265005980704 TCL: Center of mass = 15.1650969477 -0.873009761144 0.281790381184 TCL: atom 1: phi = 0.265190937179 TCL: Center of mass = 15.1663989724 -0.872952426603 0.281463426679 TCL: atom 1: phi = 0.265077950894 TCL: Center of mass = 15.1676788386 -0.87291543169 0.281124070973 TCL: atom 1: phi = 0.264929452897 TCL: Center of mass = 15.1689733125 -0.872898866908 0.280769669855 TCL: atom 1: phi = 0.264628552692 TCL: Center of mass = 15.1702720104 -0.872878372655 0.28043139719 TCL: atom 1: phi = 0.264504964068 TCL: Center of mass = 15.1715981632 -0.872838098025 0.280140656059 TCL: atom 1: phi = 0.26437908242 TCL: Center of mass = 15.1729714319 -0.872791177678 0.279905048109 TCL: atom 1: phi = 0.264439265865 TCL: Center of mass = 15.1743795312 -0.872693754174 0.279714731595 TCL: atom 1: phi = 0.264355143984 TCL: Center of mass = 15.1758281184 -0.872563883928 0.279558108811 TCL: atom 1: phi = 0.264232873067 TCL: Center of mass = 15.1772766299 -0.872407358141 0.279425189667 TCL: atom 1: phi = 0.263778573376 TCL: Center of mass = 15.1787022396 -0.872260736534 0.2793064569 TCL: atom 1: phi = 0.263207996994 TCL: Center of mass = 15.1801097013 -0.872125875704 0.279189488062 TCL: atom 1: phi = 0.262377491665 TCL: Center of mass = 15.1815034199 -0.872019908817 0.279073375008 TCL: atom 1: phi = 0.261586152811 TCL: Center of mass = 15.18287207 -0.871939788379 0.278969411668 TCL: atom 1: phi = 0.260790151145 TCL: Center of mass = 15.1842586432 -0.871887777159 0.278893016023 TCL: atom 1: phi = 0.260298108078 TCL: Center of mass = 15.1856650192 -0.87183650504 0.278837476251 TCL: atom 1: phi = 0.260030438213 TCL: Center of mass = 15.1871221503 -0.871785618453 0.278807650742 TCL: atom 1: phi = 0.260161477602 TCL: Center of mass = 15.1886254374 -0.871716044142 0.278804810357 TCL: atom 1: phi = 0.260390897801 TCL: Center of mass = 15.1901699884 -0.871629688764 0.278827594629 TCL: atom 1: phi = 0.260822794955 TCL: Center of mass = 15.1917484434 -0.871532214902 0.278832230098 TCL: atom 1: phi = 0.26121344186 TCL: Center of mass = 15.1933136335 -0.87144486013 0.278814163977 TCL: atom 1: phi = 0.26166784529 TCL: Center of mass = 15.1948629795 -0.871384809714 0.278769200833 TCL: atom 1: phi = 0.26196564712 TCL: Center of mass = 15.1963721768 -0.8713511171 0.278687772412 TCL: atom 1: phi = 0.26236707149 TCL: Center of mass = 15.1978311176 -0.871359123392 0.278584212901 TCL: atom 1: phi = 0.262741622466 TCL: Center of mass = 15.1992528076 -0.871408316666 0.278477883462 TCL: atom 1: phi = 0.263395700151 TCL: Center of mass = 15.2006504973 -0.871490867197 0.278378887577 TCL: atom 1: phi = 0.26415744068 TCL: Center of mass = 15.2020442527 -0.87160075456 0.278293063664 TCL: atom 1: phi = 0.265212075399 TCL: Center of mass = 15.2034424335 -0.87169415029 0.27823778583 TCL: atom 1: phi = 0.266255291903 TCL: Center of mass = 15.2048630496 -0.871775960298 0.278191916468 TCL: atom 1: phi = 0.267337829226 TCL: Center of mass = 15.2062713883 -0.871833325574 0.27816052852 TCL: atom 1: phi = 0.268194078914 TCL: Center of mass = 15.2076808031 -0.871869608515 0.278126208392 TCL: atom 1: phi = 0.268993887051 TCL: Center of mass = 15.209054536 -0.871891616991 0.278087990282 TCL: atom 1: phi = 0.269452841586 TCL: Center of mass = 15.2103983067 -0.871923394558 0.278044566669 TCL: atom 1: phi = 0.269907682781 TCL: Center of mass = 15.2116927733 -0.871947528913 0.27800498413 TCL: atom 1: phi = 0.270206599859 TCL: Center of mass = 15.2129679819 -0.871981421177 0.277962782851 TCL: atom 1: phi = 0.270688185481 TCL: Center of mass = 15.2142359863 -0.872002891763 0.277925451842 TCL: atom 1: phi = 0.271186080765 TCL: Center of mass = 15.2155193344 -0.872047428316 0.277887806369 TCL: atom 1: phi = 0.272007175452 TCL: Center of mass = 15.2168418748 -0.872074083594 0.277849343928 TCL: atom 1: phi = 0.27277606951 TCL: Center of mass = 15.2182087523 -0.872121177353 0.277831017735 TCL: atom 1: phi = 0.273664212267 TCL: Center of mass = 15.2195911646 -0.87214728385 0.277785033804 TCL: atom 1: phi = 0.274276598521 TCL: Center of mass = 15.2210205814 -0.872191514271 0.277714935441 TCL: atom 1: phi = 0.274800760666 TCL: Center of mass = 15.222475962 -0.872257725998 0.277630190436 TCL: atom 1: phi = 0.274988278206 TCL: Center of mass = 15.2239689423 -0.872361415764 0.277523644696 TCL: atom 1: phi = 0.275121343603 TCL: Center of mass = 15.225447332 -0.872486099755 0.277392078175 TCL: atom 1: phi = 0.275064389108 TCL: Center of mass = 15.2269441222 -0.872641200629 0.277280961902 TCL: atom 1: phi = 0.275123696414 TCL: Center of mass = 15.2284295095 -0.872788524539 0.277186318161 TCL: atom 1: phi = 0.275115206606 TCL: Center of mass = 15.2299225208 -0.872956346174 0.277096865802 TCL: atom 1: phi = 0.275375840878 TCL: Center of mass = 15.2313964635 -0.873139772048 0.277027135738 TCL: atom 1: phi = 0.27561464258 TCL: Center of mass = 15.2328819259 -0.873347550391 0.276965725191 TCL: atom 1: phi = 0.27593164064 TCL: Center of mass = 15.2343528647 -0.873552177804 0.276896135022 TCL: atom 1: phi = 0.276015287891 TCL: Center of mass = 15.2358273992 -0.873785458896 0.276811031322 TCL: atom 1: phi = 0.276063841899 TCL: Center of mass = 15.2372731991 -0.874007768943 0.27672294471 TCL: atom 1: phi = 0.275767617333 TCL: Center of mass = 15.2387346353 -0.874234091934 0.27663244626 TCL: atom 1: phi = 0.275428372586 TCL: Center of mass = 15.240185151 -0.874428383093 0.276582003073 TCL: atom 1: phi = 0.274864632997 TCL: Center of mass = 15.2416866458 -0.874604605281 0.276566008131 TCL: atom 1: phi = 0.274483085961 TCL: Center of mass = 15.2431908539 -0.874741686821 0.276587374375 TCL: atom 1: phi = 0.27407651385 TCL: Center of mass = 15.2447025452 -0.874846752015 0.276631566024 TCL: atom 1: phi = 0.273906423593 TCL: Center of mass = 15.2462140199 -0.874941707026 0.276697065376 TCL: atom 1: phi = 0.273742901046 TCL: Center of mass = 15.2477263651 -0.875038944013 0.276735849159 TCL: atom 1: phi = 0.273718656368 TCL: Center of mass = 15.2492086267 -0.875144942226 0.276750402801 TCL: atom 1: phi = 0.273532696705 TIMING: 11200 CPU: 597.758, 0.0537018/step Wall: 715.043, 0.0639535/step, 0.156331 hours remaining, 13608 kB of memory in use. ENERGY: 11200 3401.1840 2500.9195 373.0370 36.5060 -44662.5992 4184.0954 0.0000 0.0000 9833.3411 -24333.5161 291.5002 -24185.8785 -24194.0562 291.3309 2371.3382 -564.2214 125000.0000 -987.1721 -984.1910 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11200 WRITING COORDINATES TO DCD FILE AT STEP 11200 WRITING COORDINATES TO RESTART FILE AT STEP 11200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.2507010296 -0.875260380978 0.276745034151 TCL: atom 1: phi = 0.273426241429 TCL: Center of mass = 15.2521670174 -0.875380636885 0.276703415389 TCL: atom 1: phi = 0.273088708815 TCL: Center of mass = 15.2536623035 -0.875503816938 0.276653198121 TCL: atom 1: phi = 0.272820622142 TCL: Center of mass = 15.2551423768 -0.875619434618 0.276620066203 TCL: atom 1: phi = 0.272451276766 TCL: Center of mass = 15.2566752726 -0.875718912053 0.276582552461 TCL: atom 1: phi = 0.272181741345 TCL: Center of mass = 15.2582155379 -0.875798008012 0.276555800666 TCL: atom 1: phi = 0.271918677671 TCL: Center of mass = 15.2597847096 -0.875859826928 0.276563187932 TCL: atom 1: phi = 0.271931304344 TCL: Center of mass = 15.2613480333 -0.875922279539 0.276567474718 TCL: atom 1: phi = 0.27197312413 TCL: Center of mass = 15.2628992547 -0.876011429555 0.276566121246 TCL: atom 1: phi = 0.272221150884 TCL: Center of mass = 15.2644144989 -0.876152603425 0.276538178898 TCL: atom 1: phi = 0.272421031346 TCL: Center of mass = 15.2659226224 -0.876362426564 0.276468020316 TCL: atom 1: phi = 0.272691149334 TCL: Center of mass = 15.2673978392 -0.876623217231 0.276376234945 TCL: atom 1: phi = 0.272762784158 TCL: Center of mass = 15.2688882492 -0.876915966287 0.276267377847 TCL: atom 1: phi = 0.272863833737 TCL: Center of mass = 15.2703541997 -0.877220988688 0.276174554977 TCL: atom 1: phi = 0.272842343631 TCL: Center of mass = 15.2718414768 -0.877496980513 0.276133900213 TCL: atom 1: phi = 0.272951764029 TCL: Center of mass = 15.2733315822 -0.877749810364 0.276131814624 TCL: atom 1: phi = 0.273032156663 TCL: Center of mass = 15.2748471747 -0.877958516415 0.276170544017 TCL: atom 1: phi = 0.273350272174 TCL: Center of mass = 15.2763577754 -0.878121844064 0.276249608234 TCL: atom 1: phi = 0.273677740265 TCL: Center of mass = 15.2778727327 -0.878287927484 0.276315526849 TCL: atom 1: phi = 0.274205285439 TCL: Center of mass = 15.2793664695 -0.878462083841 0.276381543175 TCL: atom 1: phi = 0.274608673775 TCL: Center of mass = 15.2808392349 -0.878695044218 0.276433395085 TCL: atom 1: phi = 0.275029029037 TCL: Center of mass = 15.2822456833 -0.87897182914 0.276494571703 TCL: atom 1: phi = 0.275245564651 TCL: Center of mass = 15.2836388092 -0.879300647534 0.276567027572 TCL: atom 1: phi = 0.275493092384 TCL: Center of mass = 15.2849936729 -0.879636078189 0.276667267796 TCL: atom 1: phi = 0.275544574126 TCL: Center of mass = 15.2863810062 -0.879966196325 0.276767586595 TCL: atom 1: phi = 0.275725689716 TCL: Center of mass = 15.2877846807 -0.880258124021 0.276884071555 TCL: atom 1: phi = 0.275866145678 TCL: Center of mass = 15.289225449 -0.880501749247 0.276991204083 TCL: atom 1: phi = 0.276292647968 TCL: Center of mass = 15.2906640676 -0.880709413773 0.277084428222 TCL: atom 1: phi = 0.27675097727 TCL: Center of mass = 15.2921212014 -0.880923217389 0.277144956061 TCL: atom 1: phi = 0.277445745695 TCL: Center of mass = 15.2935528029 -0.881137120384 0.277141076654 TCL: atom 1: phi = 0.278001546925 TCL: Center of mass = 15.294975898 -0.881405608173 0.277078463501 TCL: atom 1: phi = 0.278582011832 TCL: Center of mass = 15.2963592505 -0.881708859461 0.276975805193 TCL: atom 1: phi = 0.279020328872 TCL: Center of mass = 15.2977414415 -0.882075605099 0.276846111625 TCL: atom 1: phi = 0.279506298295 TCL: Center of mass = 15.2990965316 -0.882480507813 0.276711856305 TCL: atom 1: phi = 0.27987734577 TCL: Center of mass = 15.3004442706 -0.88291145958 0.276573866467 TCL: atom 1: phi = 0.280395599763 TCL: Center of mass = 15.3018057312 -0.883311732274 0.276450308162 TCL: atom 1: phi = 0.280852824576 TCL: Center of mass = 15.3032271893 -0.883690100534 0.276330840287 TCL: atom 1: phi = 0.281492143163 TCL: Center of mass = 15.304650883 -0.884001035698 0.276182245374 TCL: atom 1: phi = 0.282088493189 TCL: Center of mass = 15.3061034542 -0.884288450085 0.275981297699 TCL: atom 1: phi = 0.28287883926 TCL: Center of mass = 15.3075142061 -0.884518509101 0.275719483604 TCL: atom 1: phi = 0.283563961439 TCL: Center of mass = 15.3088847181 -0.884733249267 0.275422755841 TCL: atom 1: phi = 0.284281488462 TCL: Center of mass = 15.3102185432 -0.884928254754 0.275106328743 TCL: atom 1: phi = 0.284864412157 TCL: Center of mass = 15.3115230091 -0.8851499277 0.274785367052 TCL: atom 1: phi = 0.285473911271 TCL: Center of mass = 15.3127987149 -0.885389564469 0.274461582869 TCL: atom 1: phi = 0.285931882984 TCL: Center of mass = 15.3140811851 -0.885636669418 0.274165780211 TCL: atom 1: phi = 0.286460084699 TCL: Center of mass = 15.3153835845 -0.885869773833 0.273901568265 TCL: atom 1: phi = 0.286905505995 TCL: Center of mass = 15.3167177754 -0.886082470271 0.273667639532 TCL: atom 1: phi = 0.287492948893 TCL: Center of mass = 15.3180798754 -0.886275896945 0.273437987371 TCL: atom 1: phi = 0.288056328361 TCL: Center of mass = 15.3194816845 -0.88644756197 0.273222197781 TCL: atom 1: phi = 0.288698838972 TCL: Center of mass = 15.3208920707 -0.886585797713 0.27300160124 TCL: atom 1: phi = 0.289212718348 TCL: Center of mass = 15.3223234306 -0.886716108294 0.272761965737 TCL: atom 1: phi = 0.289759324571 TCL: Center of mass = 15.3237421354 -0.88683226364 0.272498760472 TCL: atom 1: phi = 0.290070562117 TCL: Center of mass = 15.3251582838 -0.886950677503 0.272227933481 TCL: atom 1: phi = 0.290331667647 TCL: Center of mass = 15.326565262 -0.887092706327 0.2719752661 TCL: atom 1: phi = 0.290452534087 TCL: Center of mass = 15.327978049 -0.887241710063 0.271723274299 TCL: atom 1: phi = 0.290703435583 TCL: Center of mass = 15.3293987728 -0.887393542238 0.271486350616 TCL: atom 1: phi = 0.290893331018 TCL: Center of mass = 15.3308231683 -0.887542348003 0.271270126481 TCL: atom 1: phi = 0.291274245331 TCL: Center of mass = 15.3322504133 -0.887681816322 0.271056233504 TCL: atom 1: phi = 0.291596069707 TCL: Center of mass = 15.3336991442 -0.887819545004 0.270818634571 TCL: atom 1: phi = 0.292001284677 TCL: Center of mass = 15.3351408195 -0.887957988736 0.27052722939 TCL: atom 1: phi = 0.292255036877 TCL: Center of mass = 15.3365468996 -0.88810575889 0.270179581302 TCL: atom 1: phi = 0.292489142625 TCL: Center of mass = 15.337910565 -0.888241665672 0.269796244333 TCL: atom 1: phi = 0.292594421961 TCL: Center of mass = 15.3392546508 -0.888390283542 0.269396728939 TCL: atom 1: phi = 0.292780832972 TCL: Center of mass = 15.3405616625 -0.888527857947 0.269002168656 TCL: atom 1: phi = 0.292858564533 TCL: Center of mass = 15.3418468527 -0.888677306733 0.268607186455 TCL: atom 1: phi = 0.293058617949 TCL: Center of mass = 15.3431071634 -0.88883183135 0.268227572326 TCL: atom 1: phi = 0.293214896541 TCL: Center of mass = 15.3443786032 -0.88901128605 0.267866640548 TCL: atom 1: phi = 0.293529168077 TCL: Center of mass = 15.3456354756 -0.889211865358 0.267521618781 TCL: atom 1: phi = 0.29376406819 TCL: Center of mass = 15.3468832902 -0.889433946757 0.267147164698 TCL: atom 1: phi = 0.294134672952 TCL: Center of mass = 15.3481008994 -0.889663949421 0.266745939558 TCL: atom 1: phi = 0.294384775538 TCL: Center of mass = 15.3493220446 -0.889910355388 0.266308442245 TCL: atom 1: phi = 0.294697564049 TCL: Center of mass = 15.3505383994 -0.890162103331 0.265869376214 TCL: atom 1: phi = 0.29487940076 TCL: Center of mass = 15.351785153 -0.89039547226 0.265447666912 TCL: atom 1: phi = 0.295102314259 TCL: Center of mass = 15.3530562555 -0.890614310781 0.26505658137 TCL: atom 1: phi = 0.295185861695 TCL: Center of mass = 15.3543670076 -0.890814057751 0.264692233943 TCL: atom 1: phi = 0.295338313681 TCL: Center of mass = 15.355698504 -0.890990875939 0.264375284891 TCL: atom 1: phi = 0.295406973509 TCL: Center of mass = 15.3570632009 -0.891168969322 0.264080174294 TCL: atom 1: phi = 0.295571252099 TCL: Center of mass = 15.3584498953 -0.891347004 0.263807083187 TCL: atom 1: phi = 0.295631743287 TCL: Center of mass = 15.3598755653 -0.89154376005 0.263507050712 TCL: atom 1: phi = 0.295780161791 TCL: Center of mass = 15.3613057078 -0.891756999039 0.263176843703 TCL: atom 1: phi = 0.295818171863 TCL: Center of mass = 15.3627683317 -0.891990313008 0.262833235486 TCL: atom 1: phi = 0.295950897646 TCL: Center of mass = 15.3642242387 -0.892220804151 0.262453108784 TCL: atom 1: phi = 0.295950368977 TCL: Center of mass = 15.3656823142 -0.89246062804 0.262049699222 TCL: atom 1: phi = 0.296068925368 TCL: Center of mass = 15.3671452596 -0.892669508786 0.261642539932 TCL: atom 1: phi = 0.296191264917 TCL: Center of mass = 15.3686336346 -0.892867069493 0.26124257312 TCL: atom 1: phi = 0.296557231036 TCL: Center of mass = 15.3701125456 -0.893039465038 0.260859360871 TCL: atom 1: phi = 0.297012474574 TCL: Center of mass = 15.3715906543 -0.893214847312 0.260474224468 TCL: atom 1: phi = 0.29772700314 TCL: Center of mass = 15.3730545748 -0.893392372538 0.260087078549 TCL: atom 1: phi = 0.298497476674 TCL: Center of mass = 15.3745096426 -0.893597508582 0.259676029479 TCL: atom 1: phi = 0.299456901312 TCL: Center of mass = 15.3759164425 -0.893844243467 0.259250532836 TCL: atom 1: phi = 0.300419894048 TCL: Center of mass = 15.37730902 -0.894140506806 0.258797228097 TCL: atom 1: phi = 0.301425217802 TCL: Center of mass = 15.3786600908 -0.894451517766 0.258351165224 TCL: atom 1: phi = 0.302271577406 TCL: Center of mass = 15.3800123572 -0.89478361455 0.257926647224 TCL: atom 1: phi = 0.303192621574 TCL: Center of mass = 15.3813701671 -0.895082988491 0.257537893459 TCL: atom 1: phi = 0.304116045343 TCL: Center of mass = 15.3827741032 -0.895366227973 0.257193701236 TCL: atom 1: phi = 0.305231674312 TCL: Center of mass = 15.384190094 -0.895624147954 0.256924693441 TCL: atom 1: phi = 0.306386951253 TCL: Center of mass = 15.3856280911 -0.895861467855 0.256689224453 TCL: atom 1: phi = 0.307694944294 TCL: Center of mass = 15.3870697273 -0.896075244764 0.25649077108 TCL: atom 1: phi = 0.308964283548 TCL: Center of mass = 15.3884917481 -0.896320281128 0.256319554838 TCL: atom 1: phi = 0.310283852197 TCL: Center of mass = 15.3898779091 -0.896596909278 0.256167336214 TCL: atom 1: phi = 0.31144497274 TIMING: 11300 CPU: 603.135, 0.0537718/step Wall: 721.379, 0.0633533/step, 0.153104 hours remaining, 13608 kB of memory in use. ENERGY: 11300 3373.8492 2528.2440 397.9427 35.6730 -44618.5407 4117.4718 0.0000 0.0000 9782.8266 -24382.5335 290.0028 -24235.4921 -24241.0359 291.3877 1974.9580 -701.5212 125000.0000 -847.1978 -846.7040 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11300 WRITING COORDINATES TO DCD FILE AT STEP 11300 WRITING COORDINATES TO RESTART FILE AT STEP 11300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.3912430293 -0.896927051277 0.256018531844 TCL: atom 1: phi = 0.312604460085 TCL: Center of mass = 15.3925934483 -0.897292192628 0.255884083878 TCL: atom 1: phi = 0.313637887823 TCL: Center of mass = 15.3939595165 -0.897677022351 0.255804902362 TCL: atom 1: phi = 0.314782274654 TCL: Center of mass = 15.3953279071 -0.89809083365 0.255754144675 TCL: atom 1: phi = 0.315897057599 TCL: Center of mass = 15.3967354935 -0.898525248081 0.255715423343 TCL: atom 1: phi = 0.317119714832 TCL: Center of mass = 15.3981574052 -0.898941696796 0.255717973519 TCL: atom 1: phi = 0.318329222785 TCL: Center of mass = 15.3996092871 -0.899325451182 0.255710451626 TCL: atom 1: phi = 0.319654113197 TCL: Center of mass = 15.4010295522 -0.899689719264 0.25568382393 TCL: atom 1: phi = 0.320872620032 TCL: Center of mass = 15.4024079883 -0.900073720921 0.255622273584 TCL: atom 1: phi = 0.32216033743 TCL: Center of mass = 15.4037337569 -0.900470522725 0.255533747521 TCL: atom 1: phi = 0.323308307948 TCL: Center of mass = 15.4050127858 -0.900909254841 0.255431964238 TCL: atom 1: phi = 0.324492686705 TCL: Center of mass = 15.4062264357 -0.901382859097 0.255309648292 TCL: atom 1: phi = 0.325578256528 TCL: Center of mass = 15.4074253745 -0.90190019053 0.255176966341 TCL: atom 1: phi = 0.326750356391 TCL: Center of mass = 15.4086122939 -0.902394638636 0.255049039131 TCL: atom 1: phi = 0.327896900315 TCL: Center of mass = 15.4098007242 -0.902884317836 0.25490678959 TCL: atom 1: phi = 0.329155221763 TCL: Center of mass = 15.4109735597 -0.90334710113 0.254753793197 TCL: atom 1: phi = 0.330332987129 TCL: Center of mass = 15.4121716795 -0.903780691927 0.254581895339 TCL: atom 1: phi = 0.331575542973 TCL: Center of mass = 15.4133548298 -0.904131861234 0.254369763209 TCL: atom 1: phi = 0.332655782705 TCL: Center of mass = 15.414541596 -0.904445271051 0.254128952757 TCL: atom 1: phi = 0.333696449688 TCL: Center of mass = 15.415688866 -0.904729019365 0.253854722023 TCL: atom 1: phi = 0.334492421338 TCL: Center of mass = 15.4168260707 -0.905008781916 0.253561396351 TCL: atom 1: phi = 0.335127821553 TCL: Center of mass = 15.4179627511 -0.905292491225 0.25326713747 TCL: atom 1: phi = 0.335467463408 TCL: Center of mass = 15.4191108922 -0.905600940658 0.25299418758 TCL: atom 1: phi = 0.335791043875 TCL: Center of mass = 15.4202657053 -0.905901568398 0.252760360126 TCL: atom 1: phi = 0.335997878028 TCL: Center of mass = 15.4214680253 -0.906200938844 0.252532315565 TCL: atom 1: phi = 0.336286261349 TCL: Center of mass = 15.4227002631 -0.906488895108 0.252312696981 TCL: atom 1: phi = 0.336552824824 TCL: Center of mass = 15.4239760555 -0.906753700745 0.252116160569 TCL: atom 1: phi = 0.336959428501 TCL: Center of mass = 15.4252773561 -0.906988745973 0.251894664358 TCL: atom 1: phi = 0.337271436407 TCL: Center of mass = 15.4266011073 -0.907202561456 0.251661565929 TCL: atom 1: phi = 0.337611899179 TCL: Center of mass = 15.4279171439 -0.907392608139 0.251400704329 TCL: atom 1: phi = 0.337765105756 TCL: Center of mass = 15.4292229986 -0.90760609674 0.251126282002 TCL: atom 1: phi = 0.33789541144 TCL: Center of mass = 15.4305075543 -0.907831023802 0.250838510521 TCL: atom 1: phi = 0.337827304057 TCL: Center of mass = 15.4317835511 -0.908082622555 0.250567613449 TCL: atom 1: phi = 0.337867874771 TCL: Center of mass = 15.4330506809 -0.908318910139 0.250316167002 TCL: atom 1: phi = 0.337882139851 TCL: Center of mass = 15.4343036335 -0.908575132545 0.250065593579 TCL: atom 1: phi = 0.338148701559 TCL: Center of mass = 15.4355497871 -0.908818250341 0.24982240219 TCL: atom 1: phi = 0.338438687672 TCL: Center of mass = 15.4368114353 -0.909080827799 0.249572874579 TCL: atom 1: phi = 0.33897219389 TCL: Center of mass = 15.4380627939 -0.909310775286 0.249272662754 TCL: atom 1: phi = 0.339385184594 TCL: Center of mass = 15.4392965749 -0.909553019481 0.248905895019 TCL: atom 1: phi = 0.339819123331 TCL: Center of mass = 15.4404958812 -0.909746946054 0.248508202344 TCL: atom 1: phi = 0.339982557756 TCL: Center of mass = 15.4416583582 -0.909913911155 0.248062089356 TCL: atom 1: phi = 0.340013965308 TCL: Center of mass = 15.4428338984 -0.910042768593 0.247589745762 TCL: atom 1: phi = 0.339629179547 TCL: Center of mass = 15.4440090746 -0.910155503699 0.247115481952 TCL: atom 1: phi = 0.339204984014 TCL: Center of mass = 15.4451965745 -0.910251791639 0.24664331115 TCL: atom 1: phi = 0.338587323039 TCL: Center of mass = 15.4464131403 -0.910373402153 0.246194608137 TCL: atom 1: phi = 0.338182589365 TCL: Center of mass = 15.4476507915 -0.910499863815 0.245778610245 TCL: atom 1: phi = 0.337731327114 TCL: Center of mass = 15.4489259523 -0.910638589887 0.2453882913 TCL: atom 1: phi = 0.337543708409 TCL: Center of mass = 15.4502281839 -0.910782830035 0.245014432472 TCL: atom 1: phi = 0.33726127791 TCL: Center of mass = 15.4515813586 -0.91096751878 0.244615520197 TCL: atom 1: phi = 0.336988537304 TCL: Center of mass = 15.452938971 -0.911145139138 0.244209047119 TCL: atom 1: phi = 0.336477392896 TCL: Center of mass = 15.4543053904 -0.911325660071 0.243788178214 TCL: atom 1: phi = 0.335946905738 TCL: Center of mass = 15.4556864486 -0.91146454357 0.243348188417 TCL: atom 1: phi = 0.335201973514 TCL: Center of mass = 15.4571054519 -0.911609011687 0.242919374681 TCL: atom 1: phi = 0.334629499874 TCL: Center of mass = 15.4585476662 -0.911718087703 0.242506861091 TCL: atom 1: phi = 0.334104014636 TCL: Center of mass = 15.4600250713 -0.911825053448 0.242126947964 TCL: atom 1: phi = 0.33390551176 TCL: Center of mass = 15.4615215621 -0.911900728744 0.241784347193 TCL: atom 1: phi = 0.33379713182 TCL: Center of mass = 15.4630347828 -0.91199692473 0.241475205574 TCL: atom 1: phi = 0.33398222289 TCL: Center of mass = 15.4645195596 -0.91210480584 0.241173580075 TCL: atom 1: phi = 0.334107180484 TCL: Center of mass = 15.4659904078 -0.91225280338 0.240863742025 TCL: atom 1: phi = 0.334361428361 TCL: Center of mass = 15.4674229722 -0.912399098527 0.240547353874 TCL: atom 1: phi = 0.334296086388 TCL: Center of mass = 15.4688713218 -0.912552516517 0.240220017655 TCL: atom 1: phi = 0.334227267779 TCL: Center of mass = 15.4702903407 -0.912679396763 0.239884834462 TCL: atom 1: phi = 0.333814009674 TCL: Center of mass = 15.4717184697 -0.912792148825 0.239531797998 TCL: atom 1: phi = 0.333412337781 TCL: Center of mass = 15.4731455997 -0.912882253502 0.239172377451 TCL: atom 1: phi = 0.332852558992 TCL: Center of mass = 15.4745902241 -0.912958779985 0.238822483606 TCL: atom 1: phi = 0.332456809116 TCL: Center of mass = 15.4760103668 -0.913018997925 0.238469014675 TCL: atom 1: phi = 0.331997427655 TCL: Center of mass = 15.4774288389 -0.913093064503 0.238085591714 TCL: atom 1: phi = 0.331755465282 TCL: Center of mass = 15.4788019119 -0.913179123082 0.237664995181 TCL: atom 1: phi = 0.331475695102 TCL: Center of mass = 15.4801404741 -0.913295602059 0.237227082638 TCL: atom 1: phi = 0.331276546148 TCL: Center of mass = 15.4814535166 -0.913450150513 0.236777880284 TCL: atom 1: phi = 0.33088561913 TCL: Center of mass = 15.4827930487 -0.913632875049 0.236325652365 TCL: atom 1: phi = 0.330491303938 TCL: Center of mass = 15.4841511473 -0.913806921113 0.235881489728 TCL: atom 1: phi = 0.329985172111 TCL: Center of mass = 15.4855480146 -0.913964950158 0.235459466776 TCL: atom 1: phi = 0.329639377341 TCL: Center of mass = 15.4869857038 -0.914066525825 0.23505305129 TCL: atom 1: phi = 0.329379618534 TCL: Center of mass = 15.4884746378 -0.914125322146 0.234652340274 TCL: atom 1: phi = 0.329499784262 TCL: Center of mass = 15.489995445 -0.914128883265 0.23427505101 TCL: atom 1: phi = 0.329801063154 TCL: Center of mass = 15.4915281015 -0.914108472168 0.233886710845 TCL: atom 1: phi = 0.330410242809 TCL: Center of mass = 15.4930155672 -0.914080870508 0.233495884126 TCL: atom 1: phi = 0.331038713869 TCL: Center of mass = 15.4944945409 -0.914063011767 0.233125372699 TCL: atom 1: phi = 0.331732944649 TCL: Center of mass = 15.4959266692 -0.91404267834 0.232791597042 TCL: atom 1: phi = 0.332132485778 TCL: Center of mass = 15.4973538572 -0.914032116255 0.232458054033 TCL: atom 1: phi = 0.332306693491 TCL: Center of mass = 15.4987813689 -0.914028800753 0.232154052146 TCL: atom 1: phi = 0.332066257843 TCL: Center of mass = 15.5002435227 -0.914029576646 0.231878881017 TCL: atom 1: phi = 0.331679071714 TCL: Center of mass = 15.5017377274 -0.913979207487 0.231653835956 TCL: atom 1: phi = 0.331022692521 TCL: Center of mass = 15.5032782836 -0.913901795768 0.231427716731 TCL: atom 1: phi = 0.33040960173 TCL: Center of mass = 15.5048386438 -0.913764461504 0.231213661711 TCL: atom 1: phi = 0.329753577583 TCL: Center of mass = 15.5064232221 -0.913598722158 0.230983931877 TCL: atom 1: phi = 0.329302137417 TCL: Center of mass = 15.5079507155 -0.913420823471 0.230732548723 TCL: atom 1: phi = 0.328795951596 TCL: Center of mass = 15.5094538548 -0.913267443162 0.230445705036 TCL: atom 1: phi = 0.328384956424 TCL: Center of mass = 15.5109082607 -0.913136874394 0.230131556506 TCL: atom 1: phi = 0.3278030051 TCL: Center of mass = 15.512348607 -0.913045409217 0.229792083279 TCL: atom 1: phi = 0.327192958479 TCL: Center of mass = 15.5137857088 -0.912984851887 0.229443413715 TCL: atom 1: phi = 0.326374014466 TCL: Center of mass = 15.5152662025 -0.912955960039 0.229097984908 TCL: atom 1: phi = 0.325676611921 TCL: Center of mass = 15.5167730124 -0.912910526917 0.228776129751 TCL: atom 1: phi = 0.325039216266 TCL: Center of mass = 15.5183516199 -0.91285278539 0.22846596116 TCL: atom 1: phi = 0.324767936687 TCL: Center of mass = 15.5199684649 -0.912765512704 0.2281516772 TCL: atom 1: phi = 0.32469523039 TCL: Center of mass = 15.5216142972 -0.91267107938 0.227806420328 TCL: atom 1: phi = 0.324995247014 TCL: Center of mass = 15.5232104646 -0.912584719824 0.227450796533 TCL: atom 1: phi = 0.325385298702 TCL: Center of mass = 15.5247781646 -0.91251387788 0.227060400259 TCL: atom 1: phi = 0.325981042693 TCL: Center of mass = 15.5262735521 -0.912474685174 0.226660884925 TCL: atom 1: phi = 0.326394145796 WRITING COORDINATES TO DCD FILE AT STEP 11400 WRITING COORDINATES TO RESTART FILE AT STEP 11400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11400 FINISHED WRITING RESTART VELOCITIES TIMING: 11400 CPU: 608.525, 0.0539018/step Wall: 727.812, 0.0643348/step, 0.153689 hours remaining, 13608 kB of memory in use. ENERGY: 11400 3417.3718 2516.1464 401.4038 42.0313 -44622.7072 4102.7110 0.0000 0.0000 9812.6455 -24330.3974 290.8867 -24180.7552 -24195.2335 291.0183 1917.9762 -833.4364 125000.0000 -634.3315 -637.4226 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11400 TCL: Center of mass = 15.527748384 -0.912482560514 0.226272172962 TCL: atom 1: phi = 0.326763686719 TCL: Center of mass = 15.5291807691 -0.912507049229 0.225923121602 TCL: atom 1: phi = 0.326787241096 TCL: Center of mass = 15.5306199683 -0.912558601363 0.225596292767 TCL: atom 1: phi = 0.326661362027 TCL: Center of mass = 15.5320434796 -0.912606558906 0.225335973427 TCL: atom 1: phi = 0.326248390799 TCL: Center of mass = 15.5334614596 -0.912650796018 0.225103277538 TCL: atom 1: phi = 0.325869911156 TCL: Center of mass = 15.5348553772 -0.912662022608 0.224890458245 TCL: atom 1: phi = 0.325331312758 TCL: Center of mass = 15.5362534692 -0.912676200403 0.224695411624 TCL: atom 1: phi = 0.324896883837 TCL: Center of mass = 15.5375946467 -0.912672885342 0.224490581673 TCL: atom 1: phi = 0.324392811848 TCL: Center of mass = 15.5389112239 -0.912646776072 0.224285913943 TCL: atom 1: phi = 0.323978684604 TCL: Center of mass = 15.5401631041 -0.912615484755 0.224091384288 TCL: atom 1: phi = 0.323340806367 TCL: Center of mass = 15.5413976575 -0.912589771189 0.223906575312 TCL: atom 1: phi = 0.322599683395 TCL: Center of mass = 15.5425683582 -0.912560466845 0.223730250437 TCL: atom 1: phi = 0.321566693389 TCL: Center of mass = 15.5437572895 -0.912530066404 0.223573641347 TCL: atom 1: phi = 0.320521591704 TCL: Center of mass = 15.5449420537 -0.912510175689 0.223430878368 TCL: atom 1: phi = 0.319403875894 TCL: Center of mass = 15.5461859558 -0.912494362629 0.223294285884 TCL: atom 1: phi = 0.318568438017 TCL: Center of mass = 15.5474524449 -0.912473106179 0.22315672935 TCL: atom 1: phi = 0.317935438215 TCL: Center of mass = 15.5487723059 -0.912465207765 0.223025972231 TCL: atom 1: phi = 0.317680798213 TCL: Center of mass = 15.5500840422 -0.912461629852 0.222886844961 TCL: atom 1: phi = 0.317618052934 TCL: Center of mass = 15.5514019175 -0.912459585132 0.222747671907 TCL: atom 1: phi = 0.317900462303 TCL: Center of mass = 15.552687924 -0.912474675507 0.222608146692 TCL: atom 1: phi = 0.318149985361 TCL: Center of mass = 15.5539772584 -0.912512440156 0.22248870339 TCL: atom 1: phi = 0.318478922017 TCL: Center of mass = 15.5552495311 -0.912587572151 0.222389008377 TCL: atom 1: phi = 0.318549874723 TCL: Center of mass = 15.5565430662 -0.912708661941 0.222307122916 TCL: atom 1: phi = 0.318612191433 TCL: Center of mass = 15.5578115688 -0.912862658681 0.222229793031 TCL: atom 1: phi = 0.318523707003 TCL: Center of mass = 15.559116503 -0.913057211761 0.222168455705 TCL: atom 1: phi = 0.318534787612 TCL: Center of mass = 15.5604327303 -0.913302540763 0.222136338887 TCL: atom 1: phi = 0.318513278102 TCL: Center of mass = 15.5617613923 -0.913555824007 0.222108144832 TCL: atom 1: phi = 0.318723530529 TCL: Center of mass = 15.5630679917 -0.913809756282 0.222061532258 TCL: atom 1: phi = 0.318950998033 TCL: Center of mass = 15.5643619877 -0.914073211079 0.222013774963 TCL: atom 1: phi = 0.319360537453 TCL: Center of mass = 15.5656327906 -0.914325288791 0.221936833458 TCL: atom 1: phi = 0.319653814316 TCL: Center of mass = 15.5668963274 -0.914570685387 0.221878784771 TCL: atom 1: phi = 0.320043559295 TCL: Center of mass = 15.5681484547 -0.914800798681 0.221824996663 TCL: atom 1: phi = 0.320249088722 TCL: Center of mass = 15.5694123389 -0.915008947393 0.22178297265 TCL: atom 1: phi = 0.320561477215 TCL: Center of mass = 15.5706660276 -0.91521166959 0.221736846228 TCL: atom 1: phi = 0.320793747691 TCL: Center of mass = 15.5719213425 -0.91542582431 0.22168974209 TCL: atom 1: phi = 0.321260586567 TCL: Center of mass = 15.5731832307 -0.915632558785 0.221644583762 TCL: atom 1: phi = 0.321782294448 TCL: Center of mass = 15.5744468096 -0.915861602918 0.221587536106 TCL: atom 1: phi = 0.322670479866 TCL: Center of mass = 15.5756981448 -0.916092439154 0.221522557133 TCL: atom 1: phi = 0.323591633115 TCL: Center of mass = 15.5769672527 -0.916310495519 0.221451885491 TCL: atom 1: phi = 0.324648818197 TCL: Center of mass = 15.5782423794 -0.91650188689 0.221378213089 TCL: atom 1: phi = 0.325496376812 TCL: Center of mass = 15.5795420715 -0.916664353755 0.221326738754 TCL: atom 1: phi = 0.326276111166 TCL: Center of mass = 15.5808530206 -0.91680450179 0.221301930359 TCL: atom 1: phi = 0.32648068781 TCL: Center of mass = 15.5821855547 -0.916927727163 0.221298479353 TCL: atom 1: phi = 0.326433462464 TCL: Center of mass = 15.5835464669 -0.917028776084 0.221315147934 TCL: atom 1: phi = 0.325906094032 TCL: Center of mass = 15.5849082556 -0.917161920327 0.221367773883 TCL: atom 1: phi = 0.325311970489 TCL: Center of mass = 15.5862623738 -0.917323102591 0.221423403802 TCL: atom 1: phi = 0.324493824873 TCL: Center of mass = 15.5876173182 -0.917519170165 0.221509807457 TCL: atom 1: phi = 0.323799254991 TCL: Center of mass = 15.5889573828 -0.91772231302 0.221600102554 TCL: atom 1: phi = 0.322983552277 TCL: Center of mass = 15.5903247419 -0.917950405831 0.221733355866 TCL: atom 1: phi = 0.322302581847 TCL: Center of mass = 15.5917070427 -0.918156281688 0.221879767903 TCL: atom 1: phi = 0.321412834991 TCL: Center of mass = 15.593116252 -0.918355123933 0.222050347435 TCL: atom 1: phi = 0.320549772197 TCL: Center of mass = 15.5945588041 -0.918509330831 0.222253774128 TCL: atom 1: phi = 0.319403409072 TCL: Center of mass = 15.596026737 -0.918623911871 0.222493099295 TCL: atom 1: phi = 0.318315543093 TCL: Center of mass = 15.5975004982 -0.918708708222 0.222742597673 TCL: atom 1: phi = 0.317109292063 TCL: Center of mass = 15.5989708975 -0.918760682893 0.223015255867 TCL: atom 1: phi = 0.316187467806 TCL: Center of mass = 15.600438184 -0.918778490856 0.223288292005 TCL: atom 1: phi = 0.315438815409 TCL: Center of mass = 15.6018824264 -0.91882102377 0.223557478385 TCL: atom 1: phi = 0.315162030602 TCL: Center of mass = 15.6033255957 -0.918894339702 0.223829803424 TCL: atom 1: phi = 0.315093750792 TCL: Center of mass = 15.6047838875 -0.91900799344 0.224127201208 TCL: atom 1: phi = 0.315443442367 TCL: Center of mass = 15.6062870289 -0.919116638015 0.224412214388 TCL: atom 1: phi = 0.315844694379 TCL: Center of mass = 15.6078386203 -0.919228944096 0.224709916359 TCL: atom 1: phi = 0.316434593531 TCL: Center of mass = 15.6094485039 -0.919327620239 0.22501348304 TCL: atom 1: phi = 0.316818104639 TCL: Center of mass = 15.6111077662 -0.919403404642 0.225335524594 TCL: atom 1: phi = 0.31717823093 TCL: Center of mass = 15.6127839132 -0.919453146872 0.225656104473 TCL: atom 1: phi = 0.317328666925 TCL: Center of mass = 15.6144915951 -0.919484591461 0.225972493452 TCL: atom 1: phi = 0.317555681522 TCL: Center of mass = 15.6162012961 -0.919516627948 0.226286613601 TCL: atom 1: phi = 0.317605495024 TCL: Center of mass = 15.6178996289 -0.919577632373 0.22658046324 TCL: atom 1: phi = 0.317823597101 TCL: Center of mass = 15.6195797823 -0.91963613198 0.226854500785 TCL: atom 1: phi = 0.317927852731 TCL: Center of mass = 15.6212320819 -0.919720134874 0.227157018164 TCL: atom 1: phi = 0.31808361292 TCL: Center of mass = 15.6228652713 -0.919814262041 0.227471736407 TCL: atom 1: phi = 0.317995770973 TCL: Center of mass = 15.6245118819 -0.919914395916 0.227810422053 TCL: atom 1: phi = 0.317917416339 TCL: Center of mass = 15.6261656176 -0.920013489352 0.228171519112 TCL: atom 1: phi = 0.31751061688 TCL: Center of mass = 15.6278387223 -0.920120331811 0.228568880941 TCL: atom 1: phi = 0.317136582024 TCL: Center of mass = 15.6294841413 -0.920200382327 0.228990991897 TCL: atom 1: phi = 0.316611748599 TCL: Center of mass = 15.6310941145 -0.920280086515 0.229422534871 TCL: atom 1: phi = 0.316286674077 TCL: Center of mass = 15.632661249 -0.920342318811 0.229859641943 TCL: atom 1: phi = 0.316036428289 TCL: Center of mass = 15.6341870731 -0.920414195469 0.230285761314 TCL: atom 1: phi = 0.316167490849 TCL: Center of mass = 15.635667819 -0.920494932847 0.230694486736 TCL: atom 1: phi = 0.316509652822 TCL: Center of mass = 15.6371387386 -0.9205846099 0.231073260047 TCL: atom 1: phi = 0.317217815878 TCL: Center of mass = 15.6385985719 -0.920670767579 0.231433106292 TCL: atom 1: phi = 0.317969217365 TCL: Center of mass = 15.6400878621 -0.920781783918 0.231799797145 TCL: atom 1: phi = 0.318860105817 TCL: Center of mass = 15.6416091491 -0.920902436794 0.232170611104 TCL: atom 1: phi = 0.319548777237 TCL: Center of mass = 15.6431827982 -0.921031753849 0.232546624586 TCL: atom 1: phi = 0.32025826545 TCL: Center of mass = 15.6447969795 -0.921197065269 0.232901492873 TCL: atom 1: phi = 0.320694750143 TCL: Center of mass = 15.6464528934 -0.921352505877 0.233252293143 TCL: atom 1: phi = 0.321203400021 TCL: Center of mass = 15.6481086817 -0.921519782472 0.233583630399 TCL: atom 1: phi = 0.321518680639 TCL: Center of mass = 15.6497891964 -0.92168817383 0.233876334105 TCL: atom 1: phi = 0.322024727357 TCL: Center of mass = 15.6514745937 -0.921872016679 0.234119181148 TCL: atom 1: phi = 0.322395773139 TCL: Center of mass = 15.6531424631 -0.922067249143 0.234303794158 TCL: atom 1: phi = 0.322861330197 TCL: Center of mass = 15.6548163895 -0.922263768278 0.234451361604 TCL: atom 1: phi = 0.323111903317 TCL: Center of mass = 15.6565134379 -0.922508691551 0.234584317576 TCL: atom 1: phi = 0.323403036648 TCL: Center of mass = 15.658210269 -0.922771939724 0.234719948978 TCL: atom 1: phi = 0.32343734388 TCL: Center of mass = 15.6599497585 -0.923051389495 0.234867667416 TCL: atom 1: phi = 0.323520850086 TCL: Center of mass = 15.66169068 -0.92333851919 0.235017351212 TCL: atom 1: phi = 0.323470407468 TCL: Center of mass = 15.6634542863 -0.923640186932 0.235165205245 TCL: atom 1: phi = 0.323617000685 TCL: Center of mass = 15.6651989051 -0.923925934308 0.235315391353 TCL: atom 1: phi = 0.323799365909 TCL: Center of mass = 15.6669164372 -0.924212374232 0.235474888783 TCL: atom 1: phi = 0.32429983461 TCL: Center of mass = 15.6685856667 -0.924471697279 0.235634277278 TCL: atom 1: phi = 0.324904185834 TCL: Center of mass = 15.6702060259 -0.924723780638 0.235783310052 TCL: atom 1: phi = 0.325844646218 TCL: Center of mass = 15.6717953662 -0.924952760724 0.235924338454 TCL: atom 1: phi = 0.326661713106 WRITING COORDINATES TO DCD FILE AT STEP 11500 WRITING COORDINATES TO RESTART FILE AT STEP 11500 FINISHED WRITING RESTART COORDINATES TIMING: 11500 CPU: 613.91, 0.0538418/step Wall: 734.156, 0.0634365/step, 0.149781 hours remaining, 13608 kB of memory in use. ENERGY: 11500 3333.2670 2573.1682 374.7763 33.8232 -44595.5585 4082.1819 0.0000 0.0000 9923.8586 -24274.4834 294.1835 -24128.4203 -24129.2254 292.5367 1950.0203 -941.0204 125000.0000 -825.0579 -828.5438 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11500 WRITING VELOCITIES TO RESTART FILE AT STEP 11500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.6733800391 -0.925179453899 0.236049718152 TCL: atom 1: phi = 0.327610362975 TCL: Center of mass = 15.6749452675 -0.92541568242 0.236165876469 TCL: atom 1: phi = 0.328138873454 TCL: Center of mass = 15.6765049971 -0.925688976697 0.236285317803 TCL: atom 1: phi = 0.328585243902 TCL: Center of mass = 15.6780710836 -0.925977556956 0.236413932544 TCL: atom 1: phi = 0.328696456497 TCL: Center of mass = 15.6796530316 -0.926274719681 0.236561143968 TCL: atom 1: phi = 0.328857825052 TCL: Center of mass = 15.681254427 -0.926576964536 0.236678639094 TCL: atom 1: phi = 0.32872368876 TCL: Center of mass = 15.6828704653 -0.926885291925 0.236799481687 TCL: atom 1: phi = 0.328747523143 TCL: Center of mass = 15.6844787182 -0.927190870227 0.236930079983 TCL: atom 1: phi = 0.328529635415 TCL: Center of mass = 15.6861121723 -0.927481683992 0.237049073368 TCL: atom 1: phi = 0.328463918814 TCL: Center of mass = 15.6877287967 -0.927735465977 0.237161619559 TCL: atom 1: phi = 0.328119533011 TCL: Center of mass = 15.6893434729 -0.927985605007 0.237241241835 TCL: atom 1: phi = 0.327789174326 TCL: Center of mass = 15.6909244163 -0.928206139451 0.237313880592 TCL: atom 1: phi = 0.327098943214 TCL: Center of mass = 15.6924945437 -0.928442927246 0.237391825804 TCL: atom 1: phi = 0.32640927194 TCL: Center of mass = 15.6940452693 -0.928688824177 0.237428026903 TCL: atom 1: phi = 0.325485440333 TCL: Center of mass = 15.6955947717 -0.928964835214 0.237439590318 TCL: atom 1: phi = 0.324797726574 TCL: Center of mass = 15.6971536856 -0.929263483749 0.237425125917 TCL: atom 1: phi = 0.324164413634 TCL: Center of mass = 15.6987056915 -0.929581263948 0.237377559075 TCL: atom 1: phi = 0.32394979758 TCL: Center of mass = 15.7002639112 -0.929897486815 0.237293796621 TCL: atom 1: phi = 0.32387097473 TCL: Center of mass = 15.7018199388 -0.930200661163 0.237193119552 TCL: atom 1: phi = 0.324165438108 TCL: Center of mass = 15.7033660109 -0.930490979431 0.237083033017 TCL: atom 1: phi = 0.324424212388 TCL: Center of mass = 15.7049129574 -0.930750913285 0.236971719331 TCL: atom 1: phi = 0.324884379701 TCL: Center of mass = 15.7064353483 -0.930979690797 0.236841254258 TCL: atom 1: phi = 0.325157775448 TCL: Center of mass = 15.7079283224 -0.931231433095 0.236686167432 TCL: atom 1: phi = 0.325504856666 TCL: Center of mass = 15.7093655375 -0.931486227611 0.236488700754 TCL: atom 1: phi = 0.325714398203 TCL: Center of mass = 15.7107723012 -0.931755637205 0.236247859928 TCL: atom 1: phi = 0.326109032997 TCL: Center of mass = 15.7121541181 -0.932032824596 0.235978581536 TCL: atom 1: phi = 0.326388406084 TCL: Center of mass = 15.7135538507 -0.932340276434 0.235677630964 TCL: atom 1: phi = 0.326825801224 TCL: Center of mass = 15.7149683491 -0.932652435018 0.235334779021 TCL: atom 1: phi = 0.327136166701 TCL: Center of mass = 15.7164211901 -0.932976316288 0.234976955729 TCL: atom 1: phi = 0.327471469926 TCL: Center of mass = 15.7179163865 -0.933261359529 0.234597389667 TCL: atom 1: phi = 0.32747466086 TCL: Center of mass = 15.7194481854 -0.933543949474 0.234205473273 TCL: atom 1: phi = 0.327363341967 TCL: Center of mass = 15.7209702592 -0.933804285841 0.233785757978 TCL: atom 1: phi = 0.326824320272 TCL: Center of mass = 15.7225025469 -0.934076928874 0.233328808834 TCL: atom 1: phi = 0.326171952536 TCL: Center of mass = 15.7240147223 -0.934327602719 0.232861808127 TCL: atom 1: phi = 0.325159593298 TCL: Center of mass = 15.725499842 -0.934592761549 0.232406867359 TCL: atom 1: phi = 0.32413129812 TCL: Center of mass = 15.7269624961 -0.934847761639 0.231940536099 TCL: atom 1: phi = 0.32295935041 TCL: Center of mass = 15.728423724 -0.935156593528 0.231481786423 TCL: atom 1: phi = 0.322039416228 TCL: Center of mass = 15.7298768634 -0.935478219097 0.231046920078 TCL: atom 1: phi = 0.32105468951 TCL: Center of mass = 15.7313800974 -0.935821512621 0.230627117741 TCL: atom 1: phi = 0.320213558693 TCL: Center of mass = 15.7329018231 -0.936152613905 0.230269122258 TCL: atom 1: phi = 0.319125605928 TCL: Center of mass = 15.7344558346 -0.936507439751 0.229937646853 TCL: atom 1: phi = 0.318013816961 TCL: Center of mass = 15.7359943743 -0.936837842237 0.229652260184 TCL: atom 1: phi = 0.316595547505 TCL: Center of mass = 15.7375567438 -0.937183950134 0.229391288872 TCL: atom 1: phi = 0.315101813935 TCL: Center of mass = 15.739082656 -0.937550396981 0.229151997336 TCL: atom 1: phi = 0.313401128286 TCL: Center of mass = 15.7405853545 -0.937957100514 0.228944805811 TCL: atom 1: phi = 0.311830003491 TCL: Center of mass = 15.7420299085 -0.938387768084 0.228757700387 TCL: atom 1: phi = 0.310200502827 TCL: Center of mass = 15.743444532 -0.938857988719 0.228568541654 TCL: atom 1: phi = 0.308814193642 TCL: Center of mass = 15.744838035 -0.939331332104 0.228404060214 TCL: atom 1: phi = 0.307446675816 TCL: Center of mass = 15.7462432169 -0.939808170696 0.228246190582 TCL: atom 1: phi = 0.306363864953 TCL: Center of mass = 15.7477077564 -0.940262910663 0.228120339534 TCL: atom 1: phi = 0.30522422291 TCL: Center of mass = 15.7492463751 -0.940713634816 0.228016110883 TCL: atom 1: phi = 0.304188854205 TCL: Center of mass = 15.7508200397 -0.941129337485 0.227943761222 TCL: atom 1: phi = 0.303054679055 TCL: Center of mass = 15.7524257596 -0.941526425026 0.22789114864 TCL: atom 1: phi = 0.302093406025 TCL: Center of mass = 15.7540073691 -0.941895241606 0.227841815566 TCL: atom 1: phi = 0.30115122572 TCL: Center of mass = 15.7555690843 -0.942231050146 0.227786035929 TCL: atom 1: phi = 0.300493550263 TCL: Center of mass = 15.757070164 -0.942547649128 0.227729500436 TCL: atom 1: phi = 0.30001069057 TCL: Center of mass = 15.7585135895 -0.942832829142 0.227657792688 TCL: atom 1: phi = 0.299965185621 TCL: Center of mass = 15.7599158026 -0.943077548356 0.227554232305 TCL: atom 1: phi = 0.300155472086 TCL: Center of mass = 15.7613026022 -0.943321690991 0.227444848303 TCL: atom 1: phi = 0.30075847026 TCL: Center of mass = 15.7626977412 -0.943555425609 0.22733284961 TCL: atom 1: phi = 0.301484036337 TCL: Center of mass = 15.7641050094 -0.943790525332 0.227215830089 TCL: atom 1: phi = 0.302434875847 TCL: Center of mass = 15.7655283965 -0.943992350121 0.227100455702 TCL: atom 1: phi = 0.303341020714 TCL: Center of mass = 15.7669690654 -0.944215578192 0.226959173247 TCL: atom 1: phi = 0.304312275137 TCL: Center of mass = 15.7683899586 -0.944436539106 0.226818595396 TCL: atom 1: phi = 0.305122880264 TCL: Center of mass = 15.7697999889 -0.944673700163 0.226659292117 TCL: atom 1: phi = 0.305931367739 TCL: Center of mass = 15.7711677316 -0.944896808205 0.226494236105 TCL: atom 1: phi = 0.306627209227 TCL: Center of mass = 15.7724763465 -0.945153374338 0.226311249522 TCL: atom 1: phi = 0.307385627162 TCL: Center of mass = 15.7737492382 -0.945420804986 0.226118372614 TCL: atom 1: phi = 0.308047497718 TCL: Center of mass = 15.7750259392 -0.945706619198 0.225894170131 TCL: atom 1: phi = 0.308758767763 TCL: Center of mass = 15.7762948509 -0.946021642777 0.225646390081 TCL: atom 1: phi = 0.309162511568 TCL: Center of mass = 15.777594036 -0.946372491101 0.225380479147 TCL: atom 1: phi = 0.309360927041 TCL: Center of mass = 15.7789222729 -0.946737359252 0.225126564675 TCL: atom 1: phi = 0.309075469043 TCL: Center of mass = 15.78029048 -0.94713863924 0.224857661167 TCL: atom 1: phi = 0.308502383888 TCL: Center of mass = 15.7816730261 -0.947539106571 0.224582591874 TCL: atom 1: phi = 0.307489500074 TCL: Center of mass = 15.7830755001 -0.947951024668 0.224305442388 TCL: atom 1: phi = 0.306368338535 TCL: Center of mass = 15.7844693574 -0.948332161265 0.224032493563 TCL: atom 1: phi = 0.305098605071 TCL: Center of mass = 15.7858437776 -0.948703350141 0.223764961406 TCL: atom 1: phi = 0.304079395732 TCL: Center of mass = 15.7872080605 -0.949056494265 0.223501257877 TCL: atom 1: phi = 0.303178386622 TCL: Center of mass = 15.7885655626 -0.949396138447 0.223248597206 TCL: atom 1: phi = 0.302575155241 TCL: Center of mass = 15.7898885795 -0.949716391149 0.223025607809 TCL: atom 1: phi = 0.302064559935 TCL: Center of mass = 15.7912197218 -0.9500168173 0.222824204497 TCL: atom 1: phi = 0.301891512549 TCL: Center of mass = 15.7925533359 -0.950288707756 0.222651349944 TCL: atom 1: phi = 0.301764635007 TCL: Center of mass = 15.7939233675 -0.950576221925 0.222494706062 TCL: atom 1: phi = 0.301812281711 TCL: Center of mass = 15.7952940531 -0.950843609094 0.222389774475 TCL: atom 1: phi = 0.301882735799 TCL: Center of mass = 15.7966678275 -0.951132582102 0.222308081534 TCL: atom 1: phi = 0.302165320267 TCL: Center of mass = 15.7980258078 -0.951393939909 0.222247330505 TCL: atom 1: phi = 0.302522672982 TCL: Center of mass = 15.799401939 -0.951630744 0.222207642013 TCL: atom 1: phi = 0.303188829507 TCL: Center of mass = 15.8007581723 -0.951834634022 0.222183206893 TCL: atom 1: phi = 0.303983690429 TCL: Center of mass = 15.802106442 -0.95201938778 0.222188846396 TCL: atom 1: phi = 0.305100904814 TCL: Center of mass = 15.8034423279 -0.952169784927 0.222206742967 TCL: atom 1: phi = 0.306250906675 TCL: Center of mass = 15.8047741331 -0.952342075644 0.222222429304 TCL: atom 1: phi = 0.307590580521 TCL: Center of mass = 15.8060825619 -0.952512905083 0.22223049457 TCL: atom 1: phi = 0.308777846703 TCL: Center of mass = 15.8073976571 -0.952730145455 0.222228724649 TCL: atom 1: phi = 0.310004001475 TCL: Center of mass = 15.8087066585 -0.952962027212 0.222208870416 TCL: atom 1: phi = 0.310919011575 TCL: Center of mass = 15.8100366079 -0.953250448639 0.222164542892 TCL: atom 1: phi = 0.311822640343 TCL: Center of mass = 15.8113905379 -0.953510023615 0.222103824519 TCL: atom 1: phi = 0.312542575881 TCL: Center of mass = 15.8127625147 -0.953767007997 0.222030132642 TCL: atom 1: phi = 0.313342448761 TCL: Center of mass = 15.8141194109 -0.953973303989 0.221954623463 TCL: atom 1: phi = 0.313993497388 TCL: Center of mass = 15.8154888248 -0.954159021371 0.2218816322 TCL: atom 1: phi = 0.314837007277 TCL: Center of mass = 15.8168535507 -0.954283766932 0.221783693591 TCL: atom 1: phi = 0.315579964822 WRITING COORDINATES TO DCD FILE AT STEP 11600 WRITING COORDINATES TO RESTART FILE AT STEP 11600 FINISHED WRITING RESTART COORDINATES TIMING: 11600 CPU: 619.285, 0.0537518/step Wall: 740.502, 0.0634588/step, 0.148071 hours remaining, 13608 kB of memory in use. ENERGY: 11600 3324.7667 2474.4869 390.2434 41.1939 -44449.4816 4055.6256 0.0000 0.0000 9892.0007 -24271.1645 293.2392 -24124.6618 -24127.1273 292.3006 2197.2190 -859.0237 125000.0000 -905.1332 -910.0946 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11600 WRITING VELOCITIES TO RESTART FILE AT STEP 11600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.8182021221 -0.954385521633 0.221679209921 TCL: atom 1: phi = 0.316413588998 TCL: Center of mass = 15.8195447179 -0.954467486075 0.221563350193 TCL: atom 1: phi = 0.317069001005 TCL: Center of mass = 15.8208682829 -0.954569115598 0.221445008415 TCL: atom 1: phi = 0.317685524211 TCL: Center of mass = 15.8221851572 -0.954666414816 0.221310210169 TCL: atom 1: phi = 0.317969284488 TCL: Center of mass = 15.8234915733 -0.954777307198 0.221167701276 TCL: atom 1: phi = 0.318221523088 TCL: Center of mass = 15.8247956328 -0.954867472735 0.221039232338 TCL: atom 1: phi = 0.318187322923 TCL: Center of mass = 15.8261260596 -0.954914940552 0.220931648886 TCL: atom 1: phi = 0.3181971432 TCL: Center of mass = 15.8274792842 -0.954923166051 0.220864622293 TCL: atom 1: phi = 0.318088735095 TCL: Center of mass = 15.8288383041 -0.954884623858 0.220812806189 TCL: atom 1: phi = 0.318160046849 TCL: Center of mass = 15.8302134296 -0.95480145802 0.220818593231 TCL: atom 1: phi = 0.318111808895 TCL: Center of mass = 15.8315948455 -0.954717699855 0.220839851332 TCL: atom 1: phi = 0.318237467314 TCL: Center of mass = 15.8329425732 -0.954639421388 0.220885934825 TCL: atom 1: phi = 0.318194776487 TCL: Center of mass = 15.8342611852 -0.954576569395 0.220936160935 TCL: atom 1: phi = 0.318283623644 TCL: Center of mass = 15.8355494146 -0.954551162735 0.220960498874 TCL: atom 1: phi = 0.318141329887 TCL: Center of mass = 15.8368111133 -0.954571227626 0.220965809436 TCL: atom 1: phi = 0.31807564422 TCL: Center of mass = 15.8380673816 -0.954629148301 0.220967407532 TCL: atom 1: phi = 0.317830540647 TCL: Center of mass = 15.8393315461 -0.954722426802 0.220961646489 TCL: atom 1: phi = 0.317723750188 TCL: Center of mass = 15.8406224056 -0.954817782079 0.220958406138 TCL: atom 1: phi = 0.317545084132 TCL: Center of mass = 15.8419538717 -0.954904991536 0.220999475055 TCL: atom 1: phi = 0.31764586169 TCL: Center of mass = 15.8433220869 -0.954998093588 0.221035978804 TCL: atom 1: phi = 0.317769873159 TCL: Center of mass = 15.8447296656 -0.955097346519 0.221092014304 TCL: atom 1: phi = 0.318276133743 TCL: Center of mass = 15.8461308452 -0.955208660369 0.221147530347 TCL: atom 1: phi = 0.318823498037 TCL: Center of mass = 15.8475207448 -0.955328894051 0.221186407514 TCL: atom 1: phi = 0.319705384433 TCL: Center of mass = 15.8488942746 -0.955464991463 0.221217084926 TCL: atom 1: phi = 0.320528351374 TCL: Center of mass = 15.850280168 -0.955646145999 0.221230184023 TCL: atom 1: phi = 0.321598106038 TCL: Center of mass = 15.8516635387 -0.955854897345 0.22125189599 TCL: atom 1: phi = 0.322518379681 TCL: Center of mass = 15.8530820359 -0.956084938941 0.221258602251 TCL: atom 1: phi = 0.323678057926 TCL: Center of mass = 15.8545548394 -0.956325340316 0.221261634459 TCL: atom 1: phi = 0.324703501877 TCL: Center of mass = 15.8560858193 -0.956566899334 0.221288163125 TCL: atom 1: phi = 0.325888284872 TCL: Center of mass = 15.8576593143 -0.956764847991 0.221343877731 TCL: atom 1: phi = 0.326863049292 TCL: Center of mass = 15.8592588228 -0.956948596761 0.221429262286 TCL: atom 1: phi = 0.327988960092 TCL: Center of mass = 15.8608347589 -0.957107528855 0.221537665302 TCL: atom 1: phi = 0.328868990279 TCL: Center of mass = 15.8624067377 -0.957259506535 0.221668110495 TCL: atom 1: phi = 0.329760038873 TCL: Center of mass = 15.8639306483 -0.957396833846 0.2218237801 TCL: atom 1: phi = 0.330260578494 TCL: Center of mass = 15.8654109549 -0.957531457802 0.221982923732 TCL: atom 1: phi = 0.330800387216 TCL: Center of mass = 15.8668259688 -0.957677577658 0.222141930421 TCL: atom 1: phi = 0.330995060292 TCL: Center of mass = 15.8682380705 -0.957849347234 0.222284727895 TCL: atom 1: phi = 0.331327092969 TCL: Center of mass = 15.8696440021 -0.95802194281 0.222419339446 TCL: atom 1: phi = 0.33147086576 TCL: Center of mass = 15.8710738021 -0.95820976976 0.222564615052 TCL: atom 1: phi = 0.331829512993 TCL: Center of mass = 15.8725320039 -0.958395206958 0.222702212772 TCL: atom 1: phi = 0.332076482037 TCL: Center of mass = 15.8740197568 -0.958584287906 0.222835527188 TCL: atom 1: phi = 0.332527717651 TCL: Center of mass = 15.8755209345 -0.958764510777 0.222957463213 TCL: atom 1: phi = 0.332830279675 TCL: Center of mass = 15.8770198849 -0.958949736543 0.223071966116 TCL: atom 1: phi = 0.333277364935 TCL: Center of mass = 15.8784949986 -0.959164072707 0.223181827282 TCL: atom 1: phi = 0.333543384178 TCL: Center of mass = 15.8799543862 -0.959381080889 0.223278763231 TCL: atom 1: phi = 0.333879695852 TCL: Center of mass = 15.8813763408 -0.9595951309 0.223368004053 TCL: atom 1: phi = 0.333960009514 TCL: Center of mass = 15.8827837537 -0.95978865749 0.223457352731 TCL: atom 1: phi = 0.33425317187 TCL: Center of mass = 15.884169567 -0.959952837694 0.223520227015 TCL: atom 1: phi = 0.334348902437 TCL: Center of mass = 15.8855693424 -0.960131995924 0.223586427498 TCL: atom 1: phi = 0.334605094316 TCL: Center of mass = 15.8869962183 -0.960321568857 0.223632577407 TCL: atom 1: phi = 0.334647824958 TCL: Center of mass = 15.8884709754 -0.960529511027 0.223663421942 TCL: atom 1: phi = 0.334889662242 TCL: Center of mass = 15.8899391579 -0.960736770127 0.223693959895 TCL: atom 1: phi = 0.334918604588 TCL: Center of mass = 15.8914299948 -0.960971794436 0.223736768305 TCL: atom 1: phi = 0.335183457677 TCL: Center of mass = 15.892904949 -0.9611939289 0.223770214466 TCL: atom 1: phi = 0.335248598614 TCL: Center of mass = 15.8943796908 -0.961427085081 0.22382091577 TCL: atom 1: phi = 0.335469969381 TCL: Center of mass = 15.8958347683 -0.961635997532 0.223875323755 TCL: atom 1: phi = 0.335408548496 TCL: Center of mass = 15.8972791069 -0.961824034825 0.223927410509 TCL: atom 1: phi = 0.33557152952 TCL: Center of mass = 15.8986925853 -0.961990165546 0.223969950864 TCL: atom 1: phi = 0.335494432325 TCL: Center of mass = 15.9000949787 -0.962141225874 0.224003935661 TCL: atom 1: phi = 0.335687048258 TCL: Center of mass = 15.9014964839 -0.962290024221 0.224030847704 TCL: atom 1: phi = 0.335693784912 TCL: Center of mass = 15.9029194603 -0.962439424449 0.22404641012 TCL: atom 1: phi = 0.335953090935 TCL: Center of mass = 15.9043446239 -0.962582112144 0.224056090247 TCL: atom 1: phi = 0.336075817422 TCL: Center of mass = 15.9058091733 -0.962744225923 0.224058459231 TCL: atom 1: phi = 0.336333875086 TCL: Center of mass = 15.9072751634 -0.962912220841 0.224065060309 TCL: atom 1: phi = 0.336318829658 TCL: Center of mass = 15.9087566283 -0.963061585433 0.224080673094 TCL: atom 1: phi = 0.336386218737 TCL: Center of mass = 15.9102100193 -0.963168252825 0.224113066955 TCL: atom 1: phi = 0.336279174967 TCL: Center of mass = 15.91166439 -0.963226384437 0.224142417111 TCL: atom 1: phi = 0.336383711209 TCL: Center of mass = 15.913089079 -0.963222854543 0.224198699093 TCL: atom 1: phi = 0.336413318076 TCL: Center of mass = 15.9145031713 -0.963185307693 0.224257653182 TCL: atom 1: phi = 0.336675813814 TCL: Center of mass = 15.9159144996 -0.963131283377 0.224306142917 TCL: atom 1: phi = 0.336823947455 TCL: Center of mass = 15.9173385005 -0.96307603473 0.224355922939 TCL: atom 1: phi = 0.337172033109 TCL: Center of mass = 15.9187653312 -0.963016345347 0.224394719039 TCL: atom 1: phi = 0.337315619118 TCL: Center of mass = 15.9202134544 -0.962997372776 0.224433274208 TCL: atom 1: phi = 0.337635384388 TCL: Center of mass = 15.9216490941 -0.963003183495 0.224499890895 TCL: atom 1: phi = 0.337795652444 TCL: Center of mass = 15.9231012427 -0.963022268125 0.224583830457 TCL: atom 1: phi = 0.338095666015 TCL: Center of mass = 15.9245288503 -0.963019191854 0.22471403297 TCL: atom 1: phi = 0.338261925166 TCL: Center of mass = 15.9259407257 -0.962997277101 0.224887054149 TCL: atom 1: phi = 0.338594625376 TCL: Center of mass = 15.9273135444 -0.962936892333 0.225109196504 TCL: atom 1: phi = 0.338824197626 TCL: Center of mass = 15.9286478178 -0.962850356014 0.225356398548 TCL: atom 1: phi = 0.339216326051 TCL: Center of mass = 15.929933268 -0.962746822338 0.225632406352 TCL: atom 1: phi = 0.339475849714 TCL: Center of mass = 15.9312216978 -0.962664606482 0.225958595995 TCL: atom 1: phi = 0.339980199121 TCL: Center of mass = 15.9324694203 -0.962609335488 0.226279201098 TCL: atom 1: phi = 0.340389481542 TCL: Center of mass = 15.9337057912 -0.96257879636 0.226609749459 TCL: atom 1: phi = 0.341019978759 TCL: Center of mass = 15.9349166547 -0.962588438846 0.226965820195 TCL: atom 1: phi = 0.341600158815 TCL: Center of mass = 15.9361403969 -0.962632722629 0.22733142568 TCL: atom 1: phi = 0.34244535112 TCL: Center of mass = 15.9373519347 -0.962647111142 0.227720336216 TCL: atom 1: phi = 0.343174973922 TCL: Center of mass = 15.9385404976 -0.962641452101 0.228132856688 TCL: atom 1: phi = 0.344079619105 TCL: Center of mass = 15.9397112673 -0.962593013519 0.228582487244 TCL: atom 1: phi = 0.344784939301 TCL: Center of mass = 15.940873452 -0.962524948217 0.229046025676 TCL: atom 1: phi = 0.345536532118 TCL: Center of mass = 15.9420093882 -0.962406244459 0.229525438063 TCL: atom 1: phi = 0.34598866411 TCL: Center of mass = 15.9431294605 -0.962263638105 0.229994478258 TCL: atom 1: phi = 0.346372631108 TCL: Center of mass = 15.9442164298 -0.962094196068 0.230431600765 TCL: atom 1: phi = 0.346430931791 TCL: Center of mass = 15.9453027368 -0.961957143946 0.230847761087 TCL: atom 1: phi = 0.346444814381 TCL: Center of mass = 15.946364384 -0.961841180024 0.231263059308 TCL: atom 1: phi = 0.346133903451 TCL: Center of mass = 15.9474635133 -0.961766588261 0.231671405819 TCL: atom 1: phi = 0.345800167156 TCL: Center of mass = 15.9485871607 -0.961704059915 0.23207305308 TCL: atom 1: phi = 0.345234844585 TCL: Center of mass = 15.9497465095 -0.961661621061 0.23247773225 TCL: atom 1: phi = 0.34477283225 TCL: Center of mass = 15.9509398168 -0.961586367359 0.232894597436 TCL: atom 1: phi = 0.344156902386 TCL: Center of mass = 15.9521625836 -0.961501638287 0.233332134073 TCL: atom 1: phi = 0.343707749366 TCL: Center of mass = 15.9533989682 -0.961401611379 0.233771102371 TCL: atom 1: phi = 0.343123210836 TIMING: 11700 CPU: 624.672, 0.0538718/step Wall: 746.838, 0.0633605/step, 0.146081 hours remaining, 13608 kB of memory in use. ENERGY: 11700 3356.9162 2486.5472 396.8028 40.7340 -44307.5875 3888.5735 0.0000 0.0000 9842.6675 -24295.3464 291.7767 -24145.7307 -24160.4584 292.4567 1808.6551 -1388.3574 125000.0000 -1145.6442 -1141.2080 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11700 WRITING COORDINATES TO DCD FILE AT STEP 11700 WRITING COORDINATES TO RESTART FILE AT STEP 11700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.954657709 -0.961305313964 0.234222081869 TCL: atom 1: phi = 0.34265375994 TCL: Center of mass = 15.955895977 -0.961212003056 0.23464371845 TCL: atom 1: phi = 0.342045135506 TCL: Center of mass = 15.9571366097 -0.961154236267 0.235055397243 TCL: atom 1: phi = 0.341583076365 TCL: Center of mass = 15.958352856 -0.961113563394 0.235426501405 TCL: atom 1: phi = 0.341096367769 TCL: Center of mass = 15.9595720738 -0.961137389774 0.235779993952 TCL: atom 1: phi = 0.340778149001 TCL: Center of mass = 15.9608007448 -0.961185450294 0.236117930876 TCL: atom 1: phi = 0.340452691444 TCL: Center of mass = 15.9620708586 -0.961270498265 0.2364572365 TCL: atom 1: phi = 0.340280247815 TCL: Center of mass = 15.9633578546 -0.961348988135 0.236800403358 TCL: atom 1: phi = 0.340044049653 TCL: Center of mass = 15.9646719387 -0.961438089928 0.237155462841 TCL: atom 1: phi = 0.339897618119 TCL: Center of mass = 15.9660077318 -0.961500866095 0.237513937912 TCL: atom 1: phi = 0.339689369919 TCL: Center of mass = 15.9673342838 -0.961553470067 0.237886047475 TCL: atom 1: phi = 0.339658492342 TCL: Center of mass = 15.9686364019 -0.961582962624 0.238231013585 TCL: atom 1: phi = 0.339618527197 TCL: Center of mass = 15.9698893858 -0.961614014647 0.238566927387 TCL: atom 1: phi = 0.339734703739 TCL: Center of mass = 15.9710830843 -0.961622499519 0.238866533491 TCL: atom 1: phi = 0.339933628777 TCL: Center of mass = 15.9722410436 -0.961657852295 0.23914679395 TCL: atom 1: phi = 0.34039446284 TCL: Center of mass = 15.9733753661 -0.961698939681 0.239400225488 TCL: atom 1: phi = 0.340887347308 TCL: Center of mass = 15.9745231731 -0.961768111011 0.239637108921 TCL: atom 1: phi = 0.341605148162 TCL: Center of mass = 15.9756472593 -0.961835229892 0.239847246156 TCL: atom 1: phi = 0.342364282923 TCL: Center of mass = 15.9768074125 -0.961905796415 0.240071954898 TCL: atom 1: phi = 0.34337265843 TCL: Center of mass = 15.9779742828 -0.961973529071 0.240281950057 TCL: atom 1: phi = 0.344403372814 TCL: Center of mass = 15.9791377989 -0.962060821147 0.24048913876 TCL: atom 1: phi = 0.345559888521 TCL: Center of mass = 15.9802618937 -0.96216566239 0.240657487134 TCL: atom 1: phi = 0.346697193244 TCL: Center of mass = 15.9813440303 -0.962286575382 0.240803236612 TCL: atom 1: phi = 0.347913155162 TCL: Center of mass = 15.9823736838 -0.96242615814 0.240925143451 TCL: atom 1: phi = 0.34907125938 TCL: Center of mass = 15.9833724737 -0.962594916109 0.241032266376 TCL: atom 1: phi = 0.350342449323 TCL: Center of mass = 15.9843565461 -0.962779682782 0.241128324462 TCL: atom 1: phi = 0.351551028644 TCL: Center of mass = 15.9853505349 -0.962987936784 0.241222407879 TCL: atom 1: phi = 0.352941580905 TCL: Center of mass = 15.9863723748 -0.963225402291 0.241315413249 TCL: atom 1: phi = 0.354290941151 TCL: Center of mass = 15.9874649811 -0.963495380852 0.24142416196 TCL: atom 1: phi = 0.35579479687 TCL: Center of mass = 15.98859033 -0.96378481369 0.241521742598 TCL: atom 1: phi = 0.357105369063 TCL: Center of mass = 15.9897362369 -0.964115031048 0.241643992185 TCL: atom 1: phi = 0.358361202313 TCL: Center of mass = 15.9909031207 -0.964478062829 0.241755349111 TCL: atom 1: phi = 0.359322688064 TCL: Center of mass = 15.992077994 -0.964847099563 0.241854096471 TCL: atom 1: phi = 0.360166673806 TCL: Center of mass = 15.993237031 -0.965201089925 0.24194891282 TCL: atom 1: phi = 0.360650911358 TCL: Center of mass = 15.9943974798 -0.96556360998 0.242055571317 TCL: atom 1: phi = 0.361045045125 TCL: Center of mass = 15.9955255318 -0.965895196478 0.242174726548 TCL: atom 1: phi = 0.361141468522 TCL: Center of mass = 15.9966562266 -0.966234071494 0.242310792985 TCL: atom 1: phi = 0.361213019867 TCL: Center of mass = 15.9977723234 -0.96653599721 0.242453578589 TCL: atom 1: phi = 0.361094208953 TCL: Center of mass = 15.9989148874 -0.966834543674 0.242599675228 TCL: atom 1: phi = 0.361064762928 TCL: Center of mass = 16.0000687416 -0.967139611067 0.242757225688 TCL: atom 1: phi = 0.360780139615 TCL: Center of mass = 16.0012590798 -0.96745946586 0.242911405448 TCL: atom 1: phi = 0.360538160821 TCL: Center of mass = 16.0024526258 -0.967796413542 0.243064934507 TCL: atom 1: phi = 0.360146647991 TCL: Center of mass = 16.0036632202 -0.968165127744 0.24322950572 TCL: atom 1: phi = 0.35991322228 TCL: Center of mass = 16.0048873552 -0.968547560017 0.243393571271 TCL: atom 1: phi = 0.359586826803 TCL: Center of mass = 16.0061241557 -0.968930057053 0.243563807293 TCL: atom 1: phi = 0.359536749282 TCL: Center of mass = 16.0073503072 -0.969276166548 0.243742265979 TCL: atom 1: phi = 0.35956315094 TCL: Center of mass = 16.0085731474 -0.969611102232 0.243927759795 TCL: atom 1: phi = 0.359914760602 TCL: Center of mass = 16.0097983412 -0.969918750938 0.244128762966 TCL: atom 1: phi = 0.360255247039 TCL: Center of mass = 16.0110376555 -0.970208853588 0.244351534585 TCL: atom 1: phi = 0.360780746587 TCL: Center of mass = 16.0123028736 -0.970511615343 0.244560546833 TCL: atom 1: phi = 0.361190981634 TCL: Center of mass = 16.0135713455 -0.970863248908 0.24475293932 TCL: atom 1: phi = 0.361691465601 TCL: Center of mass = 16.014867343 -0.971229147796 0.244939363971 TCL: atom 1: phi = 0.3620646179 TCL: Center of mass = 16.0161609349 -0.971644349946 0.245113912849 TCL: atom 1: phi = 0.362537376374 TCL: Center of mass = 16.0174538029 -0.972088927125 0.245272719589 TCL: atom 1: phi = 0.362826830045 TCL: Center of mass = 16.0187569471 -0.972570352467 0.245443457967 TCL: atom 1: phi = 0.363267254795 TCL: Center of mass = 16.0200672973 -0.973056313462 0.245640881272 TCL: atom 1: phi = 0.363577162021 TCL: Center of mass = 16.0213756929 -0.973546527559 0.24583957106 TCL: atom 1: phi = 0.364138165605 TCL: Center of mass = 16.0226719345 -0.973991423966 0.246034125678 TCL: atom 1: phi = 0.364666329438 TCL: Center of mass = 16.0239770499 -0.974427776812 0.246230984598 TCL: atom 1: phi = 0.365409229308 TCL: Center of mass = 16.025271843 -0.974849187512 0.246425945947 TCL: atom 1: phi = 0.366050531303 TCL: Center of mass = 16.026572002 -0.975278853226 0.246593671842 TCL: atom 1: phi = 0.366826471423 TCL: Center of mass = 16.0278948949 -0.975723757359 0.246742528108 TCL: atom 1: phi = 0.367384172587 TCL: Center of mass = 16.0292294154 -0.976229216358 0.246885288602 TCL: atom 1: phi = 0.367990113937 TCL: Center of mass = 16.0305723701 -0.976761673187 0.247025028799 TCL: atom 1: phi = 0.368345276961 TCL: Center of mass = 16.031943472 -0.977324765384 0.247170246361 TCL: atom 1: phi = 0.368805853864 TCL: Center of mass = 16.0333477579 -0.977879824703 0.247334441828 TCL: atom 1: phi = 0.369069085748 TCL: Center of mass = 16.0347630633 -0.9784478294 0.247525630328 TCL: atom 1: phi = 0.369438710153 TCL: Center of mass = 16.0362030843 -0.978940174643 0.247735375081 TCL: atom 1: phi = 0.369714058424 TCL: Center of mass = 16.0376315214 -0.979388786564 0.247940057395 TCL: atom 1: phi = 0.370121160409 TCL: Center of mass = 16.0390499852 -0.979777323466 0.248167353472 TCL: atom 1: phi = 0.370307591349 TCL: Center of mass = 16.0404377706 -0.980146978261 0.248394741968 TCL: atom 1: phi = 0.370516893329 TCL: Center of mass = 16.0418256302 -0.980481321343 0.248621900933 TCL: atom 1: phi = 0.370400705262 TCL: Center of mass = 16.04318665 -0.980832483445 0.248854043175 TCL: atom 1: phi = 0.370252658205 TCL: Center of mass = 16.0445403771 -0.981159472287 0.249105648473 TCL: atom 1: phi = 0.369802317736 TCL: Center of mass = 16.0459016177 -0.981514923243 0.249395439148 TCL: atom 1: phi = 0.369411952502 TCL: Center of mass = 16.0472852861 -0.981848624028 0.249726643733 TCL: atom 1: phi = 0.368890232905 TCL: Center of mass = 16.0486799032 -0.982184275284 0.250094943136 TCL: atom 1: phi = 0.368550097769 TCL: Center of mass = 16.050086715 -0.982475337383 0.250488943854 TCL: atom 1: phi = 0.36811895242 TCL: Center of mass = 16.0514685324 -0.982746465329 0.250915175534 TCL: atom 1: phi = 0.367850416635 TCL: Center of mass = 16.0528349545 -0.982941866862 0.251348107588 TCL: atom 1: phi = 0.367456421276 TCL: Center of mass = 16.0541762556 -0.983106618208 0.251796626136 TCL: atom 1: phi = 0.367148035752 TCL: Center of mass = 16.0555138494 -0.983241556184 0.252228823052 TCL: atom 1: phi = 0.366615943414 TCL: Center of mass = 16.0568619111 -0.98339386519 0.252624083294 TCL: atom 1: phi = 0.36615594478 TCL: Center of mass = 16.0582655072 -0.983541889723 0.252999997972 TCL: atom 1: phi = 0.365504884081 TCL: Center of mass = 16.0597197766 -0.983735000518 0.253384658121 TCL: atom 1: phi = 0.365035008952 TCL: Center of mass = 16.0612252275 -0.983927188902 0.253760040674 TCL: atom 1: phi = 0.364513510966 TCL: Center of mass = 16.0627854805 -0.98412289864 0.254135643256 TCL: atom 1: phi = 0.364363604755 TCL: Center of mass = 16.0644089404 -0.984288081733 0.254503948215 TCL: atom 1: phi = 0.36427700747 TCL: Center of mass = 16.066099183 -0.98443964898 0.254830247911 TCL: atom 1: phi = 0.364494608762 TCL: Center of mass = 16.0677981982 -0.984565464092 0.255101269846 TCL: atom 1: phi = 0.364697624238 TCL: Center of mass = 16.069500918 -0.984681755014 0.255315900982 TCL: atom 1: phi = 0.3650443499 TCL: Center of mass = 16.0711786733 -0.984765190695 0.255480489889 TCL: atom 1: phi = 0.365183804253 TCL: Center of mass = 16.0728383873 -0.98484253351 0.255582203598 TCL: atom 1: phi = 0.365408035752 TCL: Center of mass = 16.0745097832 -0.984915200265 0.255654721601 TCL: atom 1: phi = 0.365365239265 TCL: Center of mass = 16.0762195926 -0.984986779199 0.255720141014 TCL: atom 1: phi = 0.365468367196 TCL: Center of mass = 16.0779552102 -0.98503355771 0.255768768812 TCL: atom 1: phi = 0.365515907132 TCL: Center of mass = 16.0797057007 -0.985092012456 0.255827753799 TCL: atom 1: phi = 0.365879348963 TCL: Center of mass = 16.0815035284 -0.985134158014 0.255906788093 TCL: atom 1: phi = 0.366263637595 TCL: Center of mass = 16.0833172305 -0.985193856865 0.255990442279 TCL: atom 1: phi = 0.366935381639 TCL: Center of mass = 16.0851306382 -0.985237614953 0.256069737039 TCL: atom 1: phi = 0.367524006501 WRITING COORDINATES TO DCD FILE AT STEP 11800 WRITING COORDINATES TO RESTART FILE AT STEP 11800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11800 FINISHED WRITING RESTART VELOCITIES TIMING: 11800 CPU: 630.054, 0.0538218/step Wall: 753.317, 0.0647927/step, 0.147583 hours remaining, 13608 kB of memory in use. ENERGY: 11800 3333.5853 2538.8558 388.1141 31.1350 -44588.2532 4120.1913 0.0000 0.0000 9887.2299 -24289.1420 293.0977 -24140.6499 -24149.7722 291.3318 2486.8712 -640.6646 125000.0000 -864.6563 -861.4442 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11800 TCL: Center of mass = 16.086938287 -0.985271306189 0.256131431671 TCL: atom 1: phi = 0.368292462626 TCL: Center of mass = 16.0887157391 -0.985287831496 0.256180785813 TCL: atom 1: phi = 0.368845791662 TCL: Center of mass = 16.0904831845 -0.985299957224 0.256229536703 TCL: atom 1: phi = 0.3694838005 TCL: Center of mass = 16.0922450085 -0.985272408317 0.256282862413 TCL: atom 1: phi = 0.369949534672 TCL: Center of mass = 16.0940082662 -0.985229773799 0.256352169193 TCL: atom 1: phi = 0.370581360494 TCL: Center of mass = 16.095785847 -0.985163452659 0.256455488159 TCL: atom 1: phi = 0.371185600878 TCL: Center of mass = 16.0976069706 -0.985112821329 0.25660428231 TCL: atom 1: phi = 0.372003422436 TCL: Center of mass = 16.0994346499 -0.985072038408 0.256773212608 TCL: atom 1: phi = 0.372791029595 TCL: Center of mass = 16.1012958782 -0.985052173537 0.256985155695 TCL: atom 1: phi = 0.373774088321 TCL: Center of mass = 16.1031500728 -0.985035007823 0.257207314377 TCL: atom 1: phi = 0.37457246809 TCL: Center of mass = 16.104998903 -0.985041483581 0.257438491742 TCL: atom 1: phi = 0.375448166455 TCL: Center of mass = 16.106794272 -0.98504089399 0.257647055751 TCL: atom 1: phi = 0.375894414331 TCL: Center of mass = 16.1085840844 -0.985044741152 0.257819027562 TCL: atom 1: phi = 0.376180890178 TCL: Center of mass = 16.1103112318 -0.98503070067 0.257947420102 TCL: atom 1: phi = 0.376028031317 TCL: Center of mass = 16.1120136225 -0.984985767672 0.25804423618 TCL: atom 1: phi = 0.375810347741 TCL: Center of mass = 16.1136810145 -0.984911386225 0.258120339979 TCL: atom 1: phi = 0.375273574712 TCL: Center of mass = 16.1153432521 -0.984810705153 0.25816941429 TCL: atom 1: phi = 0.374812480896 TCL: Center of mass = 16.1169977295 -0.984683123235 0.258214738926 TCL: atom 1: phi = 0.374201215893 TCL: Center of mass = 16.1186276084 -0.984550508208 0.258255324354 TCL: atom 1: phi = 0.373706603578 TCL: Center of mass = 16.1202333132 -0.984439432859 0.258273621413 TCL: atom 1: phi = 0.373079348143 TCL: Center of mass = 16.1218322872 -0.984352126951 0.258274491851 TCL: atom 1: phi = 0.37256411021 TCL: Center of mass = 16.1233791354 -0.984270487346 0.25824923414 TCL: atom 1: phi = 0.371813558933 TCL: Center of mass = 16.1249117287 -0.984172912914 0.258200581561 TCL: atom 1: phi = 0.37111128807 TCL: Center of mass = 16.1264058962 -0.984046238947 0.258144881679 TCL: atom 1: phi = 0.370271114959 TCL: Center of mass = 16.1279090858 -0.983889706773 0.258105806262 TCL: atom 1: phi = 0.369553591126 TCL: Center of mass = 16.1294076484 -0.983697220508 0.258064991466 TCL: atom 1: phi = 0.368853571731 TCL: Center of mass = 16.1309274499 -0.983465667657 0.258020934192 TCL: atom 1: phi = 0.368447314378 TCL: Center of mass = 16.1324470114 -0.983224624176 0.257969058518 TCL: atom 1: phi = 0.368079741347 TCL: Center of mass = 16.1339894345 -0.982978459857 0.257934531696 TCL: atom 1: phi = 0.368087195405 TCL: Center of mass = 16.1355535225 -0.982755522669 0.257932469718 TCL: atom 1: phi = 0.368185063355 TCL: Center of mass = 16.1371482989 -0.98257678219 0.257918765765 TCL: atom 1: phi = 0.368472130847 TCL: Center of mass = 16.1387379651 -0.982419669461 0.257885557985 TCL: atom 1: phi = 0.368675970369 TCL: Center of mass = 16.1403571925 -0.982304520566 0.257867264269 TCL: atom 1: phi = 0.368990685656 TCL: Center of mass = 16.1419647395 -0.982212110045 0.257863403864 TCL: atom 1: phi = 0.369183464496 TCL: Center of mass = 16.1435842941 -0.982136647093 0.257872266377 TCL: atom 1: phi = 0.369466373992 TCL: Center of mass = 16.1451840865 -0.982055720855 0.257865582212 TCL: atom 1: phi = 0.369711862692 TCL: Center of mass = 16.1467876665 -0.981982487856 0.257834252302 TCL: atom 1: phi = 0.370164164063 TCL: Center of mass = 16.1483793785 -0.981920589942 0.257765850352 TCL: atom 1: phi = 0.370556122067 TCL: Center of mass = 16.1499469651 -0.981861352532 0.257685290931 TCL: atom 1: phi = 0.371075953342 TCL: Center of mass = 16.1514808293 -0.981798114041 0.257579171369 TCL: atom 1: phi = 0.371514882486 TCL: Center of mass = 16.1530093527 -0.981771733965 0.257452211902 TCL: atom 1: phi = 0.372011640113 TCL: Center of mass = 16.1545150834 -0.981780397105 0.257301283324 TCL: atom 1: phi = 0.372287504115 TCL: Center of mass = 16.1560010843 -0.98182425261 0.257144043177 TCL: atom 1: phi = 0.372523647297 TCL: Center of mass = 16.1574408026 -0.981895536321 0.256997890158 TCL: atom 1: phi = 0.372508782558 TCL: Center of mass = 16.1588743761 -0.981989278125 0.25687905234 TCL: atom 1: phi = 0.372507676255 TCL: Center of mass = 16.1602825225 -0.982067676278 0.256756611994 TCL: atom 1: phi = 0.372357732376 TCL: Center of mass = 16.1616926403 -0.982110745332 0.256639861234 TCL: atom 1: phi = 0.372437873169 TCL: Center of mass = 16.1630656476 -0.98213582604 0.256521797369 TCL: atom 1: phi = 0.3725827095 TCL: Center of mass = 16.1644320167 -0.982149173059 0.256387072149 TCL: atom 1: phi = 0.373004361776 TCL: Center of mass = 16.1657567996 -0.982184478802 0.256251191166 TCL: atom 1: phi = 0.373392881061 TCL: Center of mass = 16.1670602651 -0.982232270119 0.256111480113 TCL: atom 1: phi = 0.373953472488 TCL: Center of mass = 16.1683327554 -0.982300292473 0.255980114829 TCL: atom 1: phi = 0.374370888805 TCL: Center of mass = 16.1695977297 -0.982388104517 0.255879993962 TCL: atom 1: phi = 0.374838914401 TCL: Center of mass = 16.1708449535 -0.982481709786 0.255830522939 TCL: atom 1: phi = 0.375033651425 TCL: Center of mass = 16.1721092179 -0.982569814597 0.25582716665 TCL: atom 1: phi = 0.375258589526 TCL: Center of mass = 16.1733654499 -0.982675695328 0.255878554137 TCL: atom 1: phi = 0.375357032235 TCL: Center of mass = 16.1746252785 -0.982783779575 0.255955545048 TCL: atom 1: phi = 0.375663691254 TCL: Center of mass = 16.1758544484 -0.98289847602 0.256046572387 TCL: atom 1: phi = 0.375964009101 TCL: Center of mass = 16.177078728 -0.982999435385 0.256123239232 TCL: atom 1: phi = 0.376545929919 TCL: Center of mass = 16.1782631717 -0.983131963728 0.256181327326 TCL: atom 1: phi = 0.37713566969 TCL: Center of mass = 16.179432641 -0.983292412526 0.256213725504 TCL: atom 1: phi = 0.37796782979 TCL: Center of mass = 16.1805734009 -0.983458725445 0.256218085295 TCL: atom 1: phi = 0.378744983853 TCL: Center of mass = 16.1816967357 -0.983668307244 0.256213122971 TCL: atom 1: phi = 0.379641864976 TCL: Center of mass = 16.1828211185 -0.983904245543 0.256202762578 TCL: atom 1: phi = 0.380338265526 TCL: Center of mass = 16.1839806806 -0.984149109805 0.256229224606 TCL: atom 1: phi = 0.381230617495 TCL: Center of mass = 16.185159743 -0.984389518242 0.256287649953 TCL: atom 1: phi = 0.382086494562 TCL: Center of mass = 16.186372268 -0.984631026349 0.256400270379 TCL: atom 1: phi = 0.383236406917 TCL: Center of mass = 16.1876002523 -0.984867303385 0.256535342458 TCL: atom 1: phi = 0.38451758554 TCL: Center of mass = 16.1888352584 -0.985093994277 0.256681520855 TCL: atom 1: phi = 0.386172454049 TCL: Center of mass = 16.1900797503 -0.985304488673 0.256822809979 TCL: atom 1: phi = 0.387821145584 TCL: Center of mass = 16.1913056732 -0.985509743721 0.2569316884 TCL: atom 1: phi = 0.389700843856 TCL: Center of mass = 16.1925079334 -0.985720213158 0.257034819563 TCL: atom 1: phi = 0.391436194565 TCL: Center of mass = 16.1937355607 -0.985932711428 0.257136829386 TCL: atom 1: phi = 0.393253522076 TCL: Center of mass = 16.1949562098 -0.986129872679 0.25722942581 TCL: atom 1: phi = 0.394690599772 TCL: Center of mass = 16.1962297617 -0.986340791071 0.257346453227 TCL: atom 1: phi = 0.396110139596 TCL: Center of mass = 16.1975417189 -0.986541079761 0.257499484237 TCL: atom 1: phi = 0.397153797458 TCL: Center of mass = 16.1988808045 -0.986736048286 0.257701676419 TCL: atom 1: phi = 0.398316440031 TCL: Center of mass = 16.2002266035 -0.986903622383 0.257924415658 TCL: atom 1: phi = 0.399263166127 TCL: Center of mass = 16.2015815837 -0.987073101991 0.258163629853 TCL: atom 1: phi = 0.400351838368 TCL: Center of mass = 16.2029237333 -0.987248062001 0.258417597446 TCL: atom 1: phi = 0.401145332021 TCL: Center of mass = 16.2042452896 -0.987425821984 0.258659512289 TCL: atom 1: phi = 0.402043396321 TCL: Center of mass = 16.205546434 -0.987580987776 0.258885095418 TCL: atom 1: phi = 0.402554959619 TCL: Center of mass = 16.2068603072 -0.987748561329 0.259091301597 TCL: atom 1: phi = 0.40303899611 TCL: Center of mass = 16.2081812831 -0.9878774918 0.259290446481 TCL: atom 1: phi = 0.403061470926 TCL: Center of mass = 16.2095429449 -0.98802012239 0.259493862462 TCL: atom 1: phi = 0.403068047259 TCL: Center of mass = 16.2109002844 -0.988146521771 0.259716746186 TCL: atom 1: phi = 0.402696749749 TCL: Center of mass = 16.2122711028 -0.988302362837 0.259984414086 TCL: atom 1: phi = 0.402540961498 TCL: Center of mass = 16.2136269834 -0.988453568983 0.260264598579 TCL: atom 1: phi = 0.402226044881 TCL: Center of mass = 16.2149825205 -0.988612653233 0.260553364534 TCL: atom 1: phi = 0.402207802717 TCL: Center of mass = 16.2163053905 -0.988774925043 0.260823998069 TCL: atom 1: phi = 0.402184730144 TCL: Center of mass = 16.217606454 -0.988986383316 0.261079374167 TCL: atom 1: phi = 0.402431038647 TCL: Center of mass = 16.2188510493 -0.989187143723 0.261307213765 TCL: atom 1: phi = 0.402510267545 TCL: Center of mass = 16.220072297 -0.989406267994 0.261526236274 TCL: atom 1: phi = 0.402750405929 TCL: Center of mass = 16.2212647068 -0.989602646074 0.261743143898 TCL: atom 1: phi = 0.402770285693 TCL: Center of mass = 16.2224639021 -0.989800091424 0.261955248472 TCL: atom 1: phi = 0.402894332161 TCL: Center of mass = 16.2236531813 -0.989990682968 0.262176067555 TCL: atom 1: phi = 0.40278741763 TCL: Center of mass = 16.2248534107 -0.990201321169 0.262405679447 TCL: atom 1: phi = 0.402878540749 TCL: Center of mass = 16.2260594776 -0.990413821052 0.262635936981 TCL: atom 1: phi = 0.40283239999 TCL: Center of mass = 16.2272594086 -0.990641420252 0.262850073241 TCL: atom 1: phi = 0.403008211671 TCL: Center of mass = 16.2284489983 -0.990892608988 0.263042881325 TCL: atom 1: phi = 0.403058876841 WRITING COORDINATES TO DCD FILE AT STEP 11900 WRITING COORDINATES TO RESTART FILE AT STEP 11900 FINISHED WRITING RESTART COORDINATES TIMING: 11900 CPU: 635.434, 0.0538018/step Wall: 759.661, 0.0634345/step, 0.142728 hours remaining, 13608 kB of memory in use. ENERGY: 11900 3422.3164 2478.2670 384.9685 41.5718 -44340.5368 3925.9041 0.0000 0.0000 9804.1697 -24283.3393 290.6355 -24135.8200 -24142.2288 292.6660 1555.0648 -1292.6279 125000.0000 -1078.7651 -1077.7063 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11900 WRITING VELOCITIES TO RESTART FILE AT STEP 11900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 16.2296354163 -0.991150260719 0.263210457443 TCL: atom 1: phi = 0.403254340942 TCL: Center of mass = 16.2308089179 -0.991414145889 0.26336606927 TCL: atom 1: phi = 0.403240406838 TCL: Center of mass = 16.2319908907 -0.991675791377 0.263504725902 TCL: atom 1: phi = 0.403310069686 TCL: Center of mass = 16.2331885463 -0.991886398764 0.263668002212 TCL: atom 1: phi = 0.403091796561 TCL: Center of mass = 16.2344372428 -0.992069943443 0.263831972467 TCL: atom 1: phi = 0.402893468636 TCL: Center of mass = 16.2357043276 -0.992209763463 0.263996447391 TCL: atom 1: phi = 0.402476698301 TCL: Center of mass = 16.2370006944 -0.992323599367 0.264175512583 TCL: atom 1: phi = 0.402171121044 TCL: Center of mass = 16.2382970226 -0.992408004921 0.264358770406 TCL: atom 1: phi = 0.401825900896 TCL: Center of mass = 16.23958046 -0.992508639953 0.264539312866 TCL: atom 1: phi = 0.401772123157 TCL: Center of mass = 16.240848478 -0.992591756304 0.264733694579 TCL: atom 1: phi = 0.401748702649 TCL: Center of mass = 16.2421163942 -0.992674704294 0.264934661947 TCL: atom 1: phi = 0.401959014704 TCL: Center of mass = 16.2433952483 -0.992731397609 0.265133885435 TCL: atom 1: phi = 0.402028749806 TCL: Center of mass = 16.2446828946 -0.992754497964 0.265344297483 TCL: atom 1: phi = 0.402194233456 TCL: Center of mass = 16.2459679535 -0.992740119969 0.26555221507 TCL: atom 1: phi = 0.402059479149 TCL: Center of mass = 16.2472791312 -0.992700413193 0.265766566325 TCL: atom 1: phi = 0.40184335851 TCL: Center of mass = 16.2486277545 -0.992634728822 0.265987073597 TCL: atom 1: phi = 0.401400593546 TCL: Center of mass = 16.2499928453 -0.992570702926 0.266191757379 TCL: atom 1: phi = 0.401007726421 TCL: Center of mass = 16.2513599738 -0.992495333038 0.266362286671 TCL: atom 1: phi = 0.400536534003 TCL: Center of mass = 16.2527516763 -0.992466804127 0.266486377272 TCL: atom 1: phi = 0.400233088575 TCL: Center of mass = 16.2541267549 -0.992486627218 0.266554045977 TCL: atom 1: phi = 0.399895273478 TCL: Center of mass = 16.2554953846 -0.992549768664 0.266614954809 TCL: atom 1: phi = 0.39975528817 TCL: Center of mass = 16.2568532881 -0.992650165939 0.266659660309 TCL: atom 1: phi = 0.399588256757 TCL: Center of mass = 16.2582339626 -0.992787582553 0.266718917339 TCL: atom 1: phi = 0.399479262478 TCL: Center of mass = 16.259643376 -0.992938798509 0.266773740185 TCL: atom 1: phi = 0.3992646649 TCL: Center of mass = 16.2610992093 -0.993092641263 0.266833642489 TCL: atom 1: phi = 0.399233469843 TCL: Center of mass = 16.2625785793 -0.993224677894 0.266883095634 TCL: atom 1: phi = 0.399103394578 TCL: Center of mass = 16.2640849393 -0.993340330802 0.266902175466 TCL: atom 1: phi = 0.39914716701 TCL: Center of mass = 16.265579544 -0.993464101298 0.266892689866 TCL: atom 1: phi = 0.399222002297 TCL: Center of mass = 16.2670528919 -0.993602552009 0.266864569806 TCL: atom 1: phi = 0.399547180145 TCL: Center of mass = 16.268483407 -0.993749744857 0.266811973823 TCL: atom 1: phi = 0.399923823401 TCL: Center of mass = 16.2699035107 -0.993907363136 0.266758322576 TCL: atom 1: phi = 0.400574932723 TCL: Center of mass = 16.2712892125 -0.994053025502 0.266697386997 TCL: atom 1: phi = 0.401128501317 TCL: Center of mass = 16.2726785624 -0.994209880255 0.266650869228 TCL: atom 1: phi = 0.401811527902 TCL: Center of mass = 16.2740711118 -0.994342239132 0.266626674071 TCL: atom 1: phi = 0.402253016035 TCL: Center of mass = 16.2755032358 -0.994459688111 0.266655615392 TCL: atom 1: phi = 0.402638017678 TCL: Center of mass = 16.2769436298 -0.994536893308 0.266696039405 TCL: atom 1: phi = 0.402734708544 TCL: Center of mass = 16.2784086894 -0.994604773227 0.266720878145 TCL: atom 1: phi = 0.402776269324 TCL: Center of mass = 16.2798528816 -0.99467579717 0.266742551285 TCL: atom 1: phi = 0.402578575797 TCL: Center of mass = 16.2812831875 -0.994751853988 0.266741999153 TCL: atom 1: phi = 0.40235624518 TCL: Center of mass = 16.2826707624 -0.994842854835 0.266720898706 TCL: atom 1: phi = 0.401906560389 TCL: Center of mass = 16.2840605644 -0.994942042658 0.266681897962 TCL: atom 1: phi = 0.401457173971 TCL: Center of mass = 16.2854106996 -0.995056013967 0.266630389216 TCL: atom 1: phi = 0.400758814781 TCL: Center of mass = 16.2867706612 -0.995201140283 0.266588696554 TCL: atom 1: phi = 0.400056541352 TCL: Center of mass = 16.2881414862 -0.995361208639 0.266569748183 TCL: atom 1: phi = 0.399079158984 TCL: Center of mass = 16.2895675488 -0.99554494045 0.26658395085 TCL: atom 1: phi = 0.398169303005 TCL: Center of mass = 16.2910053677 -0.995729274076 0.266614637623 TCL: atom 1: phi = 0.397107923102 TCL: Center of mass = 16.2924679764 -0.995937436801 0.266678266857 TCL: atom 1: phi = 0.396260128034 TCL: Center of mass = 16.2939349463 -0.996138939052 0.266760435147 TCL: atom 1: phi = 0.395435405315 TCL: Center of mass = 16.2954088829 -0.996343877041 0.266855040123 TCL: atom 1: phi = 0.394950474641 TCL: Center of mass = 16.2968910226 -0.996581898301 0.266939968767 TCL: atom 1: phi = 0.394488413356 TCL: Center of mass = 16.298364004 -0.996840313159 0.26703501366 TCL: atom 1: phi = 0.394466968488 TCL: Center of mass = 16.2998099229 -0.997103017208 0.267129763293 TCL: atom 1: phi = 0.39454000304 TCL: Center of mass = 16.3012661841 -0.997396628069 0.267272043478 TCL: atom 1: phi = 0.394914618697 TCL: Center of mass = 16.3027223845 -0.997693785589 0.267446909744 TCL: atom 1: phi = 0.39529595547 TCL: Center of mass = 16.3041956044 -0.998010078114 0.267663564729 TCL: atom 1: phi = 0.395896722198 TCL: Center of mass = 16.3056719487 -0.998360257934 0.267903352048 TCL: atom 1: phi = 0.396426340651 TCL: Center of mass = 16.3071274169 -0.99870862477 0.268186998265 TCL: atom 1: phi = 0.39708028002 TCL: Center of mass = 16.3085424361 -0.999066276674 0.268469382686 TCL: atom 1: phi = 0.397525377773 TCL: Center of mass = 16.3099313698 -0.999402570492 0.268754605638 TCL: atom 1: phi = 0.398102547377 TCL: Center of mass = 16.311279978 -0.999708651406 0.268999474929 TCL: atom 1: phi = 0.398525799206 TCL: Center of mass = 16.3126336931 -0.999998644153 0.269225597761 TCL: atom 1: phi = 0.399056589318 TCL: Center of mass = 16.3139836573 -1.00025711085 0.269415812223 TCL: atom 1: phi = 0.399329424423 TCL: Center of mass = 16.3153462177 -1.00050716855 0.269593290713 TCL: atom 1: phi = 0.399649049357 TCL: Center of mass = 16.3167366778 -1.00073162967 0.269749860766 TCL: atom 1: phi = 0.399689705382 TCL: Center of mass = 16.3181531938 -1.00095973319 0.269908207169 TCL: atom 1: phi = 0.399770083113 TCL: Center of mass = 16.3195684415 -1.00121110159 0.270080898915 TCL: atom 1: phi = 0.399630361977 TCL: Center of mass = 16.3209754091 -1.00147389145 0.270239430106 TCL: atom 1: phi = 0.399607630621 TCL: Center of mass = 16.3223514648 -1.0017561035 0.270387840066 TCL: atom 1: phi = 0.39949979471 TCL: Center of mass = 16.3237337925 -1.00205752895 0.270524058174 TCL: atom 1: phi = 0.39960558504 TCL: Center of mass = 16.3250918254 -1.00236158507 0.270649283365 TCL: atom 1: phi = 0.399626313183 TCL: Center of mass = 16.3264793125 -1.00266283926 0.270759214146 TCL: atom 1: phi = 0.399830178241 TCL: Center of mass = 16.3278835855 -1.00295101837 0.270852846345 TCL: atom 1: phi = 0.399896497805 TCL: Center of mass = 16.3293473618 -1.00323434258 0.270952417441 TCL: atom 1: phi = 0.400068241328 TCL: Center of mass = 16.3308348142 -1.00350214923 0.271082786499 TCL: atom 1: phi = 0.400020321589 TCL: Center of mass = 16.3323573896 -1.00380799853 0.271238537341 TCL: atom 1: phi = 0.399967507987 TCL: Center of mass = 16.3338683752 -1.00413797742 0.271425818605 TCL: atom 1: phi = 0.399642193639 TCL: Center of mass = 16.335389217 -1.00452132592 0.271635545222 TCL: atom 1: phi = 0.399351635724 TCL: Center of mass = 16.3368641447 -1.00496052475 0.271869489831 TCL: atom 1: phi = 0.398868101091 TCL: Center of mass = 16.338318415 -1.00542910947 0.272146217316 TCL: atom 1: phi = 0.398480280033 TCL: Center of mass = 16.3397415555 -1.00592679676 0.272443913882 TCL: atom 1: phi = 0.397927540301 TCL: Center of mass = 16.3411461744 -1.00645157747 0.272742468787 TCL: atom 1: phi = 0.397477432252 TCL: Center of mass = 16.3425480994 -1.00695062695 0.273055637113 TCL: atom 1: phi = 0.396818382675 TCL: Center of mass = 16.3439759644 -1.00742682525 0.273359299096 TCL: atom 1: phi = 0.396287432134 TCL: Center of mass = 16.3454202198 -1.00786701969 0.273653167965 TCL: atom 1: phi = 0.395622200665 TCL: Center of mass = 16.3468783447 -1.00829172613 0.273954412948 TCL: atom 1: phi = 0.395189947161 TCL: Center of mass = 16.3483272224 -1.0087123963 0.274271763495 TCL: atom 1: phi = 0.394747772187 TCL: Center of mass = 16.3497586996 -1.00912528069 0.274599239392 TCL: atom 1: phi = 0.394608493777 TCL: Center of mass = 16.3511320156 -1.00952850639 0.27493991314 TCL: atom 1: phi = 0.394584208904 TCL: Center of mass = 16.3524785074 -1.00994647141 0.275286167473 TCL: atom 1: phi = 0.394948723497 TCL: Center of mass = 16.353781481 -1.01033900882 0.275636405972 TCL: atom 1: phi = 0.395446679787 TCL: Center of mass = 16.3550876225 -1.01069458446 0.275990660768 TCL: atom 1: phi = 0.396336147626 TCL: Center of mass = 16.356413925 -1.01099804143 0.276346716145 TCL: atom 1: phi = 0.39740247628 TCL: Center of mass = 16.357766967 -1.01128109598 0.276723102594 TCL: atom 1: phi = 0.398730347165 TCL: Center of mass = 16.3591515598 -1.01150077427 0.277113115329 TCL: atom 1: phi = 0.400101692395 TCL: Center of mass = 16.3605781674 -1.01168681405 0.277511102441 TCL: atom 1: phi = 0.401620276809 TCL: Center of mass = 16.362036336 -1.01184121025 0.277908860837 TCL: atom 1: phi = 0.40299516431 TCL: Center of mass = 16.363514529 -1.01201356259 0.278300633632 TCL: atom 1: phi = 0.404415459859 TCL: Center of mass = 16.3649731754 -1.01219645023 0.27867434853 TCL: atom 1: phi = 0.405604980529 TCL: Center of mass = 16.3664316959 -1.01241938275 0.279038329509 TCL: atom 1: phi = 0.406776378644 TCL: Center of mass = 16.367878742 -1.01264335204 0.279404658839 TCL: atom 1: phi = 0.407689589944 WRITING COORDINATES TO DCD FILE AT STEP 12000 WRITING COORDINATES TO RESTART FILE AT STEP 12000 FINISHED WRITING RESTART COORDINATES TIMING: 12000 CPU: 640.799, 0.0536418/step Wall: 766.05, 0.0638991/step, 0.141998 hours remaining, 13608 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 12000 3361.6126 2456.9238 400.2549 37.9123 -44382.1158 3986.5468 0.0000 0.0000 9807.5338 -24331.3315 290.7352 -24184.8894 -24187.9885 290.8676 1747.3676 -951.0775 125000.0000 -1105.8012 -1101.5996 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12000 WRITING VELOCITIES TO RESTART FILE AT STEP 12000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 16.3693348262 -1.01289323169 0.279784359269 TCL: atom 1: phi = 0.408438800644 TCL: Center of mass = 16.3707942124 -1.01314226317 0.280158080521 TCL: atom 1: phi = 0.408814071676 TCL: Center of mass = 16.3722823327 -1.01341647871 0.280550872192 TCL: atom 1: phi = 0.409029382335 TCL: Center of mass = 16.3738216957 -1.01371454029 0.280978255824 TCL: atom 1: phi = 0.408922925843 TCL: Center of mass = 16.3754081102 -1.01402700942 0.281404422827 TCL: atom 1: phi = 0.408758172514 TCL: Center of mass = 16.3770316242 -1.01434807706 0.281837993952 TCL: atom 1: phi = 0.408324207782 TCL: Center of mass = 16.3786522003 -1.01469394113 0.282274202652 TCL: atom 1: phi = 0.407884099619 TCL: Center of mass = 16.3802435933 -1.01504726098 0.282690795618 TCL: atom 1: phi = 0.407357959757 TCL: Center of mass = 16.3818099232 -1.01541633682 0.283108974123 TCL: atom 1: phi = 0.407014867511 TCL: Center of mass = 16.383344078 -1.01579668088 0.283513949865 TCL: atom 1: phi = 0.406628289922 TCL: Center of mass = 16.3848758505 -1.01617159333 0.283917443582 TCL: atom 1: phi = 0.406429486945 TCL: Center of mass = 16.386415341 -1.01650723165 0.28433275941 TCL: atom 1: phi = 0.406129798253 TCL: Center of mass = 16.3879593922 -1.01681070054 0.284761150142 TCL: atom 1: phi = 0.405965451095 TCL: Center of mass = 16.3895396427 -1.01707415348 0.285213087842 TCL: atom 1: phi = 0.405765034947 TCL: Center of mass = 16.3911477532 -1.01730058998 0.285680351965 TCL: atom 1: phi = 0.405761221871 TCL: Center of mass = 16.3927802265 -1.01749053998 0.286140327234 TCL: atom 1: phi = 0.405625372372 TCL: Center of mass = 16.3944446145 -1.01765282888 0.286587191052 TCL: atom 1: phi = 0.40561797146 TCL: Center of mass = 16.3960972671 -1.01779912702 0.287031489765 TCL: atom 1: phi = 0.405495548057 TCL: Center of mass = 16.3977355689 -1.01794979918 0.287468455318 TCL: atom 1: phi = 0.405474579355 TCL: Center of mass = 16.3993611186 -1.01809441778 0.287891339797 TCL: atom 1: phi = 0.405335326302 TCL: Center of mass = 16.4009702456 -1.0182734096 0.28830516929 TCL: atom 1: phi = 0.405167622075 TCL: Center of mass = 16.4025658045 -1.01844688513 0.28871074804 TCL: atom 1: phi = 0.404815663444 TCL: Center of mass = 16.4041541651 -1.01866971956 0.289120180077 TCL: atom 1: phi = 0.40445958828 TCL: Center of mass = 16.4057334243 -1.0189413064 0.289544247431 TCL: atom 1: phi = 0.403993817457 TCL: Center of mass = 16.4073031522 -1.01924992792 0.28999167673 TCL: atom 1: phi = 0.403671062008 TCL: Center of mass = 16.4088663997 -1.01960130302 0.290438908837 TCL: atom 1: phi = 0.403343710273 TCL: Center of mass = 16.4104261541 -1.01999564736 0.290885104144 TCL: atom 1: phi = 0.403219499113 TCL: Center of mass = 16.4119964149 -1.02044393604 0.291282171621 TCL: atom 1: phi = 0.403130140866 TCL: Center of mass = 16.4135677076 -1.02093756698 0.291646790769 TCL: atom 1: phi = 0.403253302286 TCL: Center of mass = 16.4151287274 -1.0214627321 0.291974473024 TCL: atom 1: phi = 0.403352626229 TCL: Center of mass = 16.4167107227 -1.02200897105 0.292279562887 TCL: atom 1: phi = 0.403574125406 TCL: Center of mass = 16.4182980285 -1.02257305591 0.292547803393 TCL: atom 1: phi = 0.40368662222 TCL: Center of mass = 16.4199095891 -1.02316412402 0.292825538767 TCL: atom 1: phi = 0.403887658688 TCL: Center of mass = 16.4215516047 -1.02377413572 0.293067337405 TCL: atom 1: phi = 0.403885049914 TCL: Center of mass = 16.423211338 -1.02439623638 0.293299677499 TCL: atom 1: phi = 0.403936633935 TCL: Center of mass = 16.4248847166 -1.02498498773 0.29350182646 TCL: atom 1: phi = 0.403767596846 TCL: Center of mass = 16.4265712201 -1.02555868274 0.293688540029 TCL: atom 1: phi = 0.403595231898 TCL: Center of mass = 16.4282723422 -1.02607253262 0.293837743067 TCL: atom 1: phi = 0.403187963787 TCL: Center of mass = 16.4299856204 -1.0265387025 0.29397405003 TCL: atom 1: phi = 0.402689189555 TCL: Center of mass = 16.431725193 -1.02696275516 0.294079156508 TCL: atom 1: phi = 0.401897737192 TCL: Center of mass = 16.4334914869 -1.02735379046 0.294175740369 TCL: atom 1: phi = 0.400949687476 TCL: Center of mass = 16.4352871234 -1.02770813806 0.294244317756 TCL: atom 1: phi = 0.399664176476 TCL: Center of mass = 16.4371149405 -1.02804603207 0.294300463134 TCL: atom 1: phi = 0.398253979323 TCL: Center of mass = 16.4389690203 -1.02836972999 0.294347556682 TCL: atom 1: phi = 0.396613334115 TCL: Center of mass = 16.4408330297 -1.02867819135 0.294393518048 TCL: atom 1: phi = 0.394960956232 TCL: Center of mass = 16.4426826462 -1.028979608 0.294428269994 TCL: atom 1: phi = 0.393173328447 TCL: Center of mass = 16.4445067171 -1.02929633593 0.294470364512 TCL: atom 1: phi = 0.391549689892 TCL: Center of mass = 16.446309489 -1.02962463614 0.294485184354 TCL: atom 1: phi = 0.389968800716 TCL: Center of mass = 16.4480821817 -1.02996563674 0.294474910933 TCL: atom 1: phi = 0.388647797439 TCL: Center of mass = 16.4498459429 -1.03030307626 0.294423276327 TCL: atom 1: phi = 0.387431603522 TCL: Center of mass = 16.4516026128 -1.03064919608 0.294387016804 TCL: atom 1: phi = 0.386518300039 TCL: Center of mass = 16.4533636469 -1.03101901252 0.294331884241 TCL: atom 1: phi = 0.385751868339 TCL: Center of mass = 16.4551257576 -1.03144255706 0.294242026701 TCL: atom 1: phi = 0.385339965725 TCL: Center of mass = 16.4568888414 -1.0318959735 0.294135210257 TCL: atom 1: phi = 0.385048044941 TCL: Center of mass = 16.4586580786 -1.0323964621 0.294015974478 TCL: atom 1: phi = 0.385079573877 TCL: Center of mass = 16.4604042349 -1.0329398388 0.293869548594 TCL: atom 1: phi = 0.385271489057 TCL: Center of mass = 16.4621105584 -1.03350832083 0.29370592084 TCL: atom 1: phi = 0.38581021213 TCL: Center of mass = 16.4637833849 -1.03408174846 0.293493691615 TCL: atom 1: phi = 0.386518394952 TCL: Center of mass = 16.4654509445 -1.03465445687 0.293277411098 TCL: atom 1: phi = 0.387494481151 TCL: Center of mass = 16.4671152849 -1.03520661188 0.293046714845 TCL: atom 1: phi = 0.388460188898 TCL: Center of mass = 16.4688023524 -1.03574391397 0.292831068751 TCL: atom 1: phi = 0.389492397947 TCL: Center of mass = 16.4705078832 -1.03623973031 0.292612969175 TCL: atom 1: phi = 0.390387359489 TCL: Center of mass = 16.4722618274 -1.03672194925 0.292372556088 TCL: atom 1: phi = 0.391208398766 TCL: Center of mass = 16.4740440312 -1.03717244163 0.292140094722 TCL: atom 1: phi = 0.391740608334 TCL: Center of mass = 16.4758634427 -1.03761754285 0.291889223107 TCL: atom 1: phi = 0.392163158878 TCL: Center of mass = 16.4776757043 -1.03803645234 0.291612114305 TCL: atom 1: phi = 0.392370788929 TCL: Center of mass = 16.4794811453 -1.03844849022 0.291331571201 TCL: atom 1: phi = 0.392607188605 TCL: Center of mass = 16.4812885681 -1.03881630746 0.291032021684 TCL: atom 1: phi = 0.392695952597 TCL: Center of mass = 16.4830974021 -1.03918005837 0.290726214835 TCL: atom 1: phi = 0.392808820829 TCL: Center of mass = 16.4849036362 -1.03948341362 0.290443429231 TCL: atom 1: phi = 0.392741439222 TCL: Center of mass = 16.4867470916 -1.03977028831 0.290152880204 TCL: atom 1: phi = 0.392675983211 TCL: Center of mass = 16.4886125557 -1.04000402479 0.289903749401 TCL: atom 1: phi = 0.392430670629 TCL: Center of mass = 16.4905220548 -1.04022393354 0.289685731479 TCL: atom 1: phi = 0.392223085139 TCL: Center of mass = 16.4924520404 -1.04045477048 0.289493925417 TCL: atom 1: phi = 0.391917739559 TCL: Center of mass = 16.4943986323 -1.04071860114 0.289339603683 TCL: atom 1: phi = 0.391731076882 TCL: Center of mass = 16.4963022004 -1.04101019483 0.289202938354 TCL: atom 1: phi = 0.391543018064 TCL: Center of mass = 16.4982005152 -1.04133038462 0.289086821819 TCL: atom 1: phi = 0.391577709227 TCL: Center of mass = 16.5000315969 -1.04165512526 0.288982886107 TCL: atom 1: phi = 0.39170415992 TCL: Center of mass = 16.5018303877 -1.04197524996 0.288876422579 TCL: atom 1: phi = 0.39199345012 TCL: Center of mass = 16.5035696692 -1.0422625108 0.288792406879 TCL: atom 1: phi = 0.39226852537 TCL: Center of mass = 16.5053198476 -1.04253301272 0.288734304067 TCL: atom 1: phi = 0.392490593446 TCL: Center of mass = 16.5070543803 -1.042776019 0.288716577537 TCL: atom 1: phi = 0.392616701383 TCL: Center of mass = 16.5088072062 -1.0430183925 0.288737056803 TCL: atom 1: phi = 0.392678267022 TCL: Center of mass = 16.5105653168 -1.04324336767 0.288794029263 TCL: atom 1: phi = 0.392634513867 TCL: Center of mass = 16.5123586102 -1.04348730513 0.288873520311 TCL: atom 1: phi = 0.392543978498 TCL: Center of mass = 16.5141353111 -1.04373248841 0.288953296741 TCL: atom 1: phi = 0.392378293722 TCL: Center of mass = 16.5158931139 -1.04398367862 0.289010275226 TCL: atom 1: phi = 0.392254641049 TCL: Center of mass = 16.5176161072 -1.04421969591 0.289043707725 TCL: atom 1: phi = 0.392119795749 TCL: Center of mass = 16.5193089073 -1.04445454353 0.289068884627 TCL: atom 1: phi = 0.392087608547 TCL: Center of mass = 16.520983527 -1.04466568464 0.289087382257 TCL: atom 1: phi = 0.392010787367 TCL: Center of mass = 16.5226505151 -1.04484578761 0.289105497698 TCL: atom 1: phi = 0.39204498178 TCL: Center of mass = 16.5243168903 -1.04499144801 0.289142452211 TCL: atom 1: phi = 0.392005176741 TCL: Center of mass = 16.5260141621 -1.04512583449 0.289207820551 TCL: atom 1: phi = 0.39201857106 TCL: Center of mass = 16.5277299762 -1.04525807611 0.289293416248 TCL: atom 1: phi = 0.391977616708 TCL: Center of mass = 16.5294797854 -1.04542700471 0.289398673537 TCL: atom 1: phi = 0.392059418027 TCL: Center of mass = 16.5312254061 -1.04560831586 0.289506452686 TCL: atom 1: phi = 0.392159988078 TCL: Center of mass = 16.5329872009 -1.04584385378 0.289607818164 TCL: atom 1: phi = 0.392423079569 TCL: Center of mass = 16.5346984621 -1.0460993932 0.289683891325 TCL: atom 1: phi = 0.392747608724 TCL: Center of mass = 16.5363955457 -1.04639431716 0.289728886606 TCL: atom 1: phi = 0.393211522938 TCL: Center of mass = 16.5380685562 -1.04667800287 0.289750534949 TCL: atom 1: phi = 0.393678005157 WRITING COORDINATES TO DCD FILE AT STEP 12100 WRITING COORDINATES TO RESTART FILE AT STEP 12100 FINISHED WRITING RESTART COORDINATES TIMING: 12100 CPU: 646.183, 0.0538418/step Wall: 772.415, 0.0636417/step, 0.139658 hours remaining, 13608 kB of memory in use. ENERGY: 12100 3453.3689 2545.2429 388.2597 34.1433 -44498.1048 4007.8660 0.0000 0.0000 9769.6548 -24299.5692 289.6123 -24153.0011 -24157.4481 291.1398 1348.0902 -1178.8283 125000.0000 -1010.7918 -1005.8286 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12100 WRITING VELOCITIES TO RESTART FILE AT STEP 12100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 16.5397500993 -1.04694005873 0.289773434604 TCL: atom 1: phi = 0.394163245688 TCL: Center of mass = 16.5414222821 -1.04717515004 0.28981256436 TCL: atom 1: phi = 0.39451728025 TCL: Center of mass = 16.5431178104 -1.04740610469 0.289854693288 TCL: atom 1: phi = 0.394804872092 TCL: Center of mass = 16.5448053218 -1.04761229289 0.289899166296 TCL: atom 1: phi = 0.394851411665 TCL: Center of mass = 16.5464866414 -1.04782835984 0.289965402163 TCL: atom 1: phi = 0.394837464358 TCL: Center of mass = 16.5481523389 -1.04805427382 0.290056374775 TCL: atom 1: phi = 0.39464983419 TCL: Center of mass = 16.5498326744 -1.04829457047 0.290172393171 TCL: atom 1: phi = 0.394424485266 TCL: Center of mass = 16.5515175603 -1.04854889139 0.290302517529 TCL: atom 1: phi = 0.394030094434 TCL: Center of mass = 16.5531948745 -1.04882016621 0.290438034192 TCL: atom 1: phi = 0.393669277543 TCL: Center of mass = 16.5548702692 -1.04908359932 0.290575478289 TCL: atom 1: phi = 0.393191429931 TCL: Center of mass = 16.5565749945 -1.04933101339 0.290715228856 TCL: atom 1: phi = 0.392740235694 TCL: Center of mass = 16.5583078135 -1.04953626282 0.290853113022 TCL: atom 1: phi = 0.392138009873 TCL: Center of mass = 16.5600710132 -1.04975135332 0.291003287389 TCL: atom 1: phi = 0.39161592085 TCL: Center of mass = 16.5618496104 -1.04993513895 0.291135575089 TCL: atom 1: phi = 0.391072447946 TCL: Center of mass = 16.563641899 -1.05013567126 0.291257139854 TCL: atom 1: phi = 0.390666462299 TCL: Center of mass = 16.5654457732 -1.05033527377 0.291396138954 TCL: atom 1: phi = 0.390388835962 TCL: Center of mass = 16.5672518659 -1.05057401633 0.291527818666 TCL: atom 1: phi = 0.390356553396 TCL: Center of mass = 16.5690526184 -1.05081476779 0.291668047124 TCL: atom 1: phi = 0.390461673582 TCL: Center of mass = 16.5708625413 -1.0510876754 0.291799525175 TCL: atom 1: phi = 0.390809900458 TCL: Center of mass = 16.5726768462 -1.05138046553 0.291908104165 TCL: atom 1: phi = 0.391272762271 TCL: Center of mass = 16.5745330141 -1.05170034481 0.292010021512 TCL: atom 1: phi = 0.391890046315 TCL: Center of mass = 16.5763882198 -1.05203667546 0.292090555641 TCL: atom 1: phi = 0.392521674337 TCL: Center of mass = 16.5782693024 -1.0523901396 0.292175454896 TCL: atom 1: phi = 0.393184887753 TCL: Center of mass = 16.5801541621 -1.05274511429 0.292238099556 TCL: atom 1: phi = 0.3937524873 TCL: Center of mass = 16.5820319136 -1.05312864466 0.292294209801 TCL: atom 1: phi = 0.394331594654 TCL: Center of mass = 16.5838749561 -1.05352875458 0.292319385976 TCL: atom 1: phi = 0.394778526605 TCL: Center of mass = 16.5857118322 -1.05394350939 0.292348514732 TCL: atom 1: phi = 0.395218914372 TCL: Center of mass = 16.587514853 -1.05434748169 0.292367206796 TCL: atom 1: phi = 0.395542815813 TCL: Center of mass = 16.5893352161 -1.05475999318 0.292392721802 TCL: atom 1: phi = 0.395850784495 TCL: Center of mass = 16.5911516263 -1.05517187781 0.292415099413 TCL: atom 1: phi = 0.395946842484 TCL: Center of mass = 16.5929903146 -1.05559830372 0.292443935317 TCL: atom 1: phi = 0.395909934983 TCL: Center of mass = 16.5948306134 -1.05601096904 0.292465086648 TCL: atom 1: phi = 0.395640019961 TCL: Center of mass = 16.5966943853 -1.05641784455 0.292475671999 TCL: atom 1: phi = 0.395277145395 TCL: Center of mass = 16.5985326397 -1.05683057614 0.292436669304 TCL: atom 1: phi = 0.394676264819 TCL: Center of mass = 16.6003562141 -1.05725701884 0.292378513604 TCL: atom 1: phi = 0.394069025505 TCL: Center of mass = 16.6021395873 -1.05768202627 0.292270977862 TCL: atom 1: phi = 0.393377628123 TCL: Center of mass = 16.6038784309 -1.05813096344 0.29213942189 TCL: atom 1: phi = 0.392791597109 TCL: Center of mass = 16.6055741866 -1.05858773686 0.292000579696 TCL: atom 1: phi = 0.392277652964 TCL: Center of mass = 16.6072705813 -1.05905771037 0.291864188294 TCL: atom 1: phi = 0.391911263626 TCL: Center of mass = 16.6089461939 -1.05951229784 0.291702959981 TCL: atom 1: phi = 0.391561999004 TCL: Center of mass = 16.6106389634 -1.05996685155 0.291541111394 TCL: atom 1: phi = 0.391339724746 TCL: Center of mass = 16.612341801 -1.06040057059 0.291362026781 TCL: atom 1: phi = 0.391097622234 TCL: Center of mass = 16.6140630506 -1.06084892501 0.291174855179 TCL: atom 1: phi = 0.390978124745 TCL: Center of mass = 16.6157514856 -1.06131513185 0.290967669712 TCL: atom 1: phi = 0.390804841805 TCL: Center of mass = 16.6174247665 -1.06182987314 0.290735939965 TCL: atom 1: phi = 0.390783445511 TCL: Center of mass = 16.6190743955 -1.06236325908 0.290462146193 TCL: atom 1: phi = 0.390724447641 TCL: Center of mass = 16.6207023208 -1.06291579229 0.290186081413 TCL: atom 1: phi = 0.390810208036 TCL: Center of mass = 16.62230006 -1.06349647156 0.2898688779 TCL: atom 1: phi = 0.390788103069 TCL: Center of mass = 16.6239070809 -1.06406810784 0.28956758202 TCL: atom 1: phi = 0.390878402089 TCL: Center of mass = 16.6255079758 -1.06461573873 0.289289983606 TCL: atom 1: phi = 0.390896675932 TCL: Center of mass = 16.6271379476 -1.06515288387 0.289032410586 TCL: atom 1: phi = 0.391054094969 TCL: Center of mass = 16.62881641 -1.0656562747 0.28878534911 TCL: atom 1: phi = 0.391088914837 TCL: Center of mass = 16.630539883 -1.06614752993 0.288549301966 TCL: atom 1: phi = 0.391202578069 TCL: Center of mass = 16.6322859008 -1.0666166161 0.288286763264 TCL: atom 1: phi = 0.391148160853 TCL: Center of mass = 16.6340485575 -1.06710962912 0.288025339758 TCL: atom 1: phi = 0.391196446917 TCL: Center of mass = 16.6358026629 -1.06759555099 0.287738022238 TCL: atom 1: phi = 0.391154064044 TCL: Center of mass = 16.6375506003 -1.06809215828 0.28744935018 TCL: atom 1: phi = 0.391322853569 TCL: Center of mass = 16.6392621896 -1.06859715786 0.287145390257 TCL: atom 1: phi = 0.391398863835 TCL: Center of mass = 16.6409895037 -1.06907150537 0.286845964134 TCL: atom 1: phi = 0.391617360901 TCL: Center of mass = 16.6427236511 -1.06951808263 0.286541861931 TCL: atom 1: phi = 0.39171488132 TCL: Center of mass = 16.644478659 -1.06995077959 0.286247322974 TCL: atom 1: phi = 0.391944128766 TCL: Center of mass = 16.6462564879 -1.07038072932 0.285976279862 TCL: atom 1: phi = 0.391925305758 TCL: Center of mass = 16.6480532212 -1.07081545548 0.285717659805 TCL: atom 1: phi = 0.391935330557 TCL: Center of mass = 16.6498713906 -1.07125408365 0.285461598739 TCL: atom 1: phi = 0.391752222674 TCL: Center of mass = 16.6516823504 -1.07173593495 0.285221224162 TCL: atom 1: phi = 0.391661573831 TCL: Center of mass = 16.6534666306 -1.07223679627 0.284993612122 TCL: atom 1: phi = 0.391404329307 TCL: Center of mass = 16.6552271555 -1.07277934894 0.284749151656 TCL: atom 1: phi = 0.391277114523 TCL: Center of mass = 16.6569468095 -1.07332000841 0.284527382737 TCL: atom 1: phi = 0.390945414633 TCL: Center of mass = 16.6586846618 -1.07386956825 0.284334386182 TCL: atom 1: phi = 0.390695557605 TCL: Center of mass = 16.6604176777 -1.07444111928 0.284175863498 TCL: atom 1: phi = 0.390214175236 TCL: Center of mass = 16.6621608485 -1.07503007797 0.284069953346 TCL: atom 1: phi = 0.389746924668 TCL: Center of mass = 16.6639101671 -1.07562750589 0.284015734363 TCL: atom 1: phi = 0.389000221652 TCL: Center of mass = 16.6656823142 -1.0762395663 0.284007301869 TCL: atom 1: phi = 0.3882429024 TCL: Center of mass = 16.6674451397 -1.07685363446 0.284047747627 TCL: atom 1: phi = 0.387218654074 TCL: Center of mass = 16.6692062456 -1.07749322002 0.284105330142 TCL: atom 1: phi = 0.386296868608 TCL: Center of mass = 16.6709222945 -1.07816241978 0.284192264358 TCL: atom 1: phi = 0.385284095523 TCL: Center of mass = 16.672612765 -1.07884645463 0.284304460667 TCL: atom 1: phi = 0.38449361267 TCL: Center of mass = 16.6742525338 -1.07951161111 0.284413016821 TCL: atom 1: phi = 0.383687037534 TCL: Center of mass = 16.6758895924 -1.08017620356 0.284550472377 TCL: atom 1: phi = 0.383155090443 TCL: Center of mass = 16.6774927666 -1.08081480812 0.284687836867 TCL: atom 1: phi = 0.382698294475 TCL: Center of mass = 16.6791150673 -1.08144429754 0.284821174624 TCL: atom 1: phi = 0.382530618963 TCL: Center of mass = 16.6807262096 -1.08205038951 0.284947120989 TCL: atom 1: phi = 0.382349505814 TCL: Center of mass = 16.6823584788 -1.08265801858 0.28508180699 TCL: atom 1: phi = 0.382436528071 TCL: Center of mass = 16.6839736872 -1.08323682734 0.285202168952 TCL: atom 1: phi = 0.382495385922 TCL: Center of mass = 16.6855866621 -1.08382413295 0.285307533687 TCL: atom 1: phi = 0.382747138182 TCL: Center of mass = 16.6871675882 -1.08442070648 0.285393135859 TCL: atom 1: phi = 0.38289213481 TCL: Center of mass = 16.688733936 -1.08502072365 0.285451955391 TCL: atom 1: phi = 0.383194566205 TCL: Center of mass = 16.6902742668 -1.08562076717 0.285477998421 TCL: atom 1: phi = 0.383410618794 TCL: Center of mass = 16.6918056315 -1.08622324947 0.285469751164 TCL: atom 1: phi = 0.383735250546 TCL: Center of mass = 16.6933196662 -1.08680375169 0.285454059979 TCL: atom 1: phi = 0.383867198024 TCL: Center of mass = 16.6948439364 -1.08738543853 0.285446114162 TCL: atom 1: phi = 0.383976771954 TCL: Center of mass = 16.6963547721 -1.08793225181 0.285447580412 TCL: atom 1: phi = 0.383794797232 TCL: Center of mass = 16.69785906 -1.08849443216 0.285472747846 TCL: atom 1: phi = 0.383566092138 TCL: Center of mass = 16.6993709086 -1.08906040817 0.285499100415 TCL: atom 1: phi = 0.38296828183 TCL: Center of mass = 16.7009012482 -1.08965861184 0.285532695899 TCL: atom 1: phi = 0.382331905221 TCL: Center of mass = 16.7023919249 -1.09024838764 0.28556005905 TCL: atom 1: phi = 0.381480107446 TCL: Center of mass = 16.7038543996 -1.09085778128 0.285586276344 TCL: atom 1: phi = 0.380760354862 TCL: Center of mass = 16.7052893795 -1.09145618346 0.285610240195 TCL: atom 1: phi = 0.380004149856 TCL: Center of mass = 16.7067112103 -1.09205506281 0.285638225329 TCL: atom 1: phi = 0.379507923154 TCL: Center of mass = 16.7081042103 -1.09264894768 0.285656398922 TCL: atom 1: phi = 0.379004725674 WRITING COORDINATES TO DCD FILE AT STEP 12200 WRITING COORDINATES TO RESTART FILE AT STEP 12200 FINISHED WRITING RESTART COORDINATES TIMING: 12200 CPU: 651.57, 0.0538718/step Wall: 778.758, 0.0634321/step, 0.137436 hours remaining, 13612 kB of memory in use. ENERGY: 12200 3367.3756 2573.6480 381.2807 38.8127 -44466.6925 3968.5195 0.0000 0.0000 9865.7575 -24271.2985 292.4612 -24124.5174 -24130.7055 292.1745 1442.4295 -932.0864 125000.0000 -976.1087 -985.3896 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12200 WRITING VELOCITIES TO RESTART FILE AT STEP 12200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 16.7095233048 -1.0932322109 0.285666394527 TCL: atom 1: phi = 0.378828620084 TCL: Center of mass = 16.7109598756 -1.09377968185 0.285652087573 TCL: atom 1: phi = 0.37862672586 TCL: Center of mass = 16.7123990006 -1.09431178956 0.285643176948 TCL: atom 1: phi = 0.378556595146 TCL: Center of mass = 16.713837169 -1.09482541769 0.285637834987 TCL: atom 1: phi = 0.378336219421 TCL: Center of mass = 16.7152808887 -1.09533077968 0.285643165287 TCL: atom 1: phi = 0.378157389674 TCL: Center of mass = 16.7166941153 -1.09582961637 0.285638925323 TCL: atom 1: phi = 0.377736416087 TCL: Center of mass = 16.7180889351 -1.09633529642 0.285634365077 TCL: atom 1: phi = 0.377381220813 TCL: Center of mass = 16.7194483978 -1.09682499283 0.285628720322 TCL: atom 1: phi = 0.376933068827 TCL: Center of mass = 16.7207987243 -1.09730505161 0.285617027868 TCL: atom 1: phi = 0.376647212045 TCL: Center of mass = 16.7221240442 -1.09774919645 0.285603139212 TCL: atom 1: phi = 0.376297316592 TCL: Center of mass = 16.7234439051 -1.09816780035 0.285607657461 TCL: atom 1: phi = 0.376062901574 TCL: Center of mass = 16.7247493349 -1.09853013822 0.285608052905 TCL: atom 1: phi = 0.375674012129 TCL: Center of mass = 16.7260520886 -1.09890178517 0.285641207055 TCL: atom 1: phi = 0.375354288576 TCL: Center of mass = 16.727306966 -1.09925942761 0.285696212545 TCL: atom 1: phi = 0.374838923736 TCL: Center of mass = 16.7285301893 -1.09964754953 0.285776092349 TCL: atom 1: phi = 0.374365527795 TCL: Center of mass = 16.7297149416 -1.10003665447 0.285880513813 TCL: atom 1: phi = 0.373726501788 TCL: Center of mass = 16.7308706367 -1.10044266304 0.286011332083 TCL: atom 1: phi = 0.373313671254 TCL: Center of mass = 16.7319940482 -1.10083256449 0.28616429661 TCL: atom 1: phi = 0.372965972232 TCL: Center of mass = 16.7331114961 -1.10122263557 0.286342091738 TCL: atom 1: phi = 0.372996972634 TCL: Center of mass = 16.7342030408 -1.10160373304 0.286534054445 TCL: atom 1: phi = 0.373188795226 TCL: Center of mass = 16.7353108864 -1.10198108638 0.286735308645 TCL: atom 1: phi = 0.373744103941 TCL: Center of mass = 16.7364025714 -1.10236002549 0.286923123495 TCL: atom 1: phi = 0.374395213072 TCL: Center of mass = 16.7375002984 -1.1027246723 0.28710239785 TCL: atom 1: phi = 0.375270804481 TCL: Center of mass = 16.7385776684 -1.10308758752 0.287251657563 TCL: atom 1: phi = 0.376120747011 TCL: Center of mass = 16.7396559731 -1.10345766132 0.287354055911 TCL: atom 1: phi = 0.377113022246 TCL: Center of mass = 16.7407144127 -1.10380484724 0.28741159035 TCL: atom 1: phi = 0.377989451205 TCL: Center of mass = 16.7417745642 -1.10416379237 0.287442147047 TCL: atom 1: phi = 0.379038224182 TCL: Center of mass = 16.7428545354 -1.10448210164 0.287458570466 TCL: atom 1: phi = 0.379988536749 TCL: Center of mass = 16.7439661859 -1.10479724582 0.287465729853 TCL: atom 1: phi = 0.381065557333 TCL: Center of mass = 16.7451085602 -1.10508771594 0.287473882832 TCL: atom 1: phi = 0.382056019627 TCL: Center of mass = 16.7462810117 -1.10535191503 0.287497318651 TCL: atom 1: phi = 0.383136030632 TCL: Center of mass = 16.7474379955 -1.10559500898 0.287531922647 TCL: atom 1: phi = 0.383933454627 TCL: Center of mass = 16.7486029221 -1.10581696588 0.287567607474 TCL: atom 1: phi = 0.384669706962 TCL: Center of mass = 16.749747662 -1.10600043488 0.287589218415 TCL: atom 1: phi = 0.385053426467 TCL: Center of mass = 16.7508837368 -1.10616200265 0.287602771612 TCL: atom 1: phi = 0.385265287263 TCL: Center of mass = 16.751999578 -1.1062947465 0.287606707834 TCL: atom 1: phi = 0.385071089159 TCL: Center of mass = 16.753110147 -1.10641337301 0.287611508481 TCL: atom 1: phi = 0.384766620588 TCL: Center of mass = 16.7542306564 -1.10651198159 0.287634441811 TCL: atom 1: phi = 0.384177647435 TCL: Center of mass = 16.7553688968 -1.10659078779 0.287684039905 TCL: atom 1: phi = 0.383636371083 TCL: Center of mass = 16.7565185398 -1.1066449101 0.287776847116 TCL: atom 1: phi = 0.383046483933 TCL: Center of mass = 16.7576958303 -1.1066653611 0.28790106992 TCL: atom 1: phi = 0.382677221568 TCL: Center of mass = 16.7588894951 -1.10667546088 0.28805973994 TCL: atom 1: phi = 0.382288250279 TCL: Center of mass = 16.7600982575 -1.10670899538 0.288241881883 TCL: atom 1: phi = 0.382039994119 TCL: Center of mass = 16.761304886 -1.10674004802 0.288419256785 TCL: atom 1: phi = 0.381714575389 TCL: Center of mass = 16.7624941182 -1.10679308564 0.288577171871 TCL: atom 1: phi = 0.381497874293 TCL: Center of mass = 16.7636588858 -1.10685654169 0.288703098407 TCL: atom 1: phi = 0.381193920742 TCL: Center of mass = 16.7648238545 -1.10693378012 0.288825555964 TCL: atom 1: phi = 0.381016606641 TCL: Center of mass = 16.765968081 -1.10702001212 0.288942990937 TCL: atom 1: phi = 0.38082332677 TCL: Center of mass = 16.7671466566 -1.10710634676 0.289057883043 TCL: atom 1: phi = 0.380877055207 TCL: Center of mass = 16.768332979 -1.10716630446 0.289213805651 TCL: atom 1: phi = 0.380887220166 TCL: Center of mass = 16.7695598816 -1.10719310922 0.289391828534 TCL: atom 1: phi = 0.381057057529 TCL: Center of mass = 16.7708112468 -1.10718611544 0.289559685654 TCL: atom 1: phi = 0.381167477403 TCL: Center of mass = 16.7720596953 -1.10716252628 0.289731896164 TCL: atom 1: phi = 0.381466632462 TCL: Center of mass = 16.7732783807 -1.10712192032 0.289887012211 TCL: atom 1: phi = 0.381569940248 TCL: Center of mass = 16.7744883454 -1.10707662175 0.29004906516 TCL: atom 1: phi = 0.381699916926 TCL: Center of mass = 16.7756419506 -1.10701606148 0.290202756312 TCL: atom 1: phi = 0.381623899174 TCL: Center of mass = 16.7767545755 -1.10695460636 0.290339067625 TCL: atom 1: phi = 0.38156177257 TCL: Center of mass = 16.7778419233 -1.10688310459 0.290460415289 TCL: atom 1: phi = 0.381437093548 TCL: Center of mass = 16.7789498405 -1.10678682704 0.290592354207 TCL: atom 1: phi = 0.381433571736 TCL: Center of mass = 16.7800565843 -1.10667575406 0.290724380403 TCL: atom 1: phi = 0.381346061351 TCL: Center of mass = 16.7811821803 -1.10656660844 0.29087608685 TCL: atom 1: phi = 0.381390271724 TCL: Center of mass = 16.7822988868 -1.10646253099 0.291028909836 TCL: atom 1: phi = 0.381402571021 TCL: Center of mass = 16.7834491825 -1.10636539478 0.291171978817 TCL: atom 1: phi = 0.381559734757 TCL: Center of mass = 16.7846115768 -1.10630623626 0.291312918843 TCL: atom 1: phi = 0.381680781826 TCL: Center of mass = 16.7857675957 -1.10628737448 0.291456384964 TCL: atom 1: phi = 0.381889716793 TCL: Center of mass = 16.7869157671 -1.10630063268 0.291564158383 TCL: atom 1: phi = 0.381996265672 TCL: Center of mass = 16.7880781799 -1.1063526434 0.291645588075 TCL: atom 1: phi = 0.382198267566 TCL: Center of mass = 16.7892479731 -1.10643577935 0.291710414559 TCL: atom 1: phi = 0.38232495934 TCL: Center of mass = 16.7904330223 -1.10655659119 0.29176161308 TCL: atom 1: phi = 0.382612694352 TCL: Center of mass = 16.7916377195 -1.1066908624 0.291815247877 TCL: atom 1: phi = 0.382842287254 TCL: Center of mass = 16.7928851317 -1.10685168758 0.291886370331 TCL: atom 1: phi = 0.383238823502 TCL: Center of mass = 16.7941719481 -1.10704975391 0.291970721617 TCL: atom 1: phi = 0.383467223151 TCL: Center of mass = 16.7954842082 -1.10726957682 0.292071437122 TCL: atom 1: phi = 0.383745093412 TCL: Center of mass = 16.7967919733 -1.10750614411 0.292164223553 TCL: atom 1: phi = 0.383771091686 TCL: Center of mass = 16.7981028672 -1.1077554605 0.292254121709 TCL: atom 1: phi = 0.383676865023 TCL: Center of mass = 16.7993798597 -1.10801546331 0.292344444373 TCL: atom 1: phi = 0.383273153759 TCL: Center of mass = 16.8006393042 -1.10826342532 0.292434188764 TCL: atom 1: phi = 0.382741864252 TCL: Center of mass = 16.8018865615 -1.10850120837 0.292497207145 TCL: atom 1: phi = 0.38203571194 TCL: Center of mass = 16.8031427439 -1.10870786797 0.292552123072 TCL: atom 1: phi = 0.381375302733 TCL: Center of mass = 16.804404857 -1.10889123328 0.292598844938 TCL: atom 1: phi = 0.380574277245 TCL: Center of mass = 16.8056958128 -1.10905420666 0.292688764844 TCL: atom 1: phi = 0.379898455427 TCL: Center of mass = 16.8069919743 -1.10920212087 0.292795220848 TCL: atom 1: phi = 0.379119436953 TCL: Center of mass = 16.80831035 -1.10937152239 0.292924140796 TCL: atom 1: phi = 0.37845717661 TCL: Center of mass = 16.8096252885 -1.109555305 0.293037424828 TCL: atom 1: phi = 0.377710987123 TCL: Center of mass = 16.8109310725 -1.10976555374 0.293169835387 TCL: atom 1: phi = 0.377014883158 TCL: Center of mass = 16.8122246941 -1.11001000686 0.293286340144 TCL: atom 1: phi = 0.376200578871 TCL: Center of mass = 16.8135245564 -1.11029722902 0.293411614143 TCL: atom 1: phi = 0.375527285523 TCL: Center of mass = 16.8148430703 -1.110612087 0.293553067676 TCL: atom 1: phi = 0.374774527991 TCL: Center of mass = 16.8162045084 -1.1109491348 0.293727746313 TCL: atom 1: phi = 0.374129849796 TCL: Center of mass = 16.8176055452 -1.11129842507 0.293897023722 TCL: atom 1: phi = 0.373417206911 TCL: Center of mass = 16.8190255675 -1.1116558482 0.29406740242 TCL: atom 1: phi = 0.372899186314 TCL: Center of mass = 16.8204892241 -1.11202794192 0.29421638985 TCL: atom 1: phi = 0.372322119784 TCL: Center of mass = 16.8219769682 -1.11242173921 0.294341321545 TCL: atom 1: phi = 0.371904451875 TCL: Center of mass = 16.8234584751 -1.11284303785 0.294453453268 TCL: atom 1: phi = 0.371395750741 TCL: Center of mass = 16.8249159023 -1.11328931053 0.294566657682 TCL: atom 1: phi = 0.370983799253 TCL: Center of mass = 16.8263647729 -1.11375505032 0.294696336474 TCL: atom 1: phi = 0.370521415396 TCL: Center of mass = 16.8278275387 -1.11423379599 0.29485411472 TCL: atom 1: phi = 0.370185610792 TCL: Center of mass = 16.8292630123 -1.11467495021 0.295014765482 TCL: atom 1: phi = 0.369864926766 TCL: Center of mass = 16.8307006225 -1.11507577608 0.295203933415 TCL: atom 1: phi = 0.369742303006 TCL: Center of mass = 16.8321320135 -1.11543380765 0.295389033018 TCL: atom 1: phi = 0.369751215258 WRITING COORDINATES TO DCD FILE AT STEP 12300 WRITING COORDINATES TO RESTART FILE AT STEP 12300 FINISHED WRITING RESTART COORDINATES TIMING: 12300 CPU: 656.948, 0.0537818/step Wall: 785.429, 0.0667123/step, 0.14269 hours remaining, 13612 kB of memory in use. ENERGY: 12300 3408.1228 2403.8861 379.6214 31.8549 -44454.5424 4072.7915 0.0000 0.0000 9873.4823 -24284.7834 292.6902 -24136.1579 -24148.1880 291.8158 1708.1997 -533.0598 125000.0000 -834.1845 -828.8412 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12300 WRITING VELOCITIES TO RESTART FILE AT STEP 12300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 16.833599152 -1.11577412053 0.295554523193 TCL: atom 1: phi = 0.370001868051 TCL: Center of mass = 16.8350517543 -1.11605658151 0.295692311099 TCL: atom 1: phi = 0.370358520706 TCL: Center of mass = 16.8365155048 -1.11632429177 0.295823231311 TCL: atom 1: phi = 0.370898799794 TCL: Center of mass = 16.8379724288 -1.1165677384 0.295921331307 TCL: atom 1: phi = 0.371428564176 TCL: Center of mass = 16.8393928448 -1.11679260036 0.296029772825 TCL: atom 1: phi = 0.37208266396 TCL: Center of mass = 16.8408034623 -1.11700333911 0.296128570429 TCL: atom 1: phi = 0.372678865077 TCL: Center of mass = 16.8422067076 -1.117206388 0.296250418851 TCL: atom 1: phi = 0.373424248708 TCL: Center of mass = 16.843606494 -1.11737908413 0.296378682244 TCL: atom 1: phi = 0.374174689281 TCL: Center of mass = 16.8450197764 -1.11754679998 0.296542090903 TCL: atom 1: phi = 0.375090179539 TCL: Center of mass = 16.846447022 -1.11768586678 0.296712173326 TCL: atom 1: phi = 0.376030429648 TCL: Center of mass = 16.8479032507 -1.11783195392 0.296878647421 TCL: atom 1: phi = 0.377144267402 TCL: Center of mass = 16.8493908202 -1.11797097584 0.297016348545 TCL: atom 1: phi = 0.378217010917 TCL: Center of mass = 16.8509157291 -1.11812764875 0.297137057611 TCL: atom 1: phi = 0.379362594147 TCL: Center of mass = 16.8524407659 -1.11828642679 0.297231981233 TCL: atom 1: phi = 0.380262541 TCL: Center of mass = 16.8539672423 -1.11844962997 0.297313095872 TCL: atom 1: phi = 0.381079676597 TCL: Center of mass = 16.8554695823 -1.11859143385 0.297349564976 TCL: atom 1: phi = 0.381597073823 TCL: Center of mass = 16.8569850374 -1.11875372731 0.297401571802 TCL: atom 1: phi = 0.382000706392 TCL: Center of mass = 16.8585030821 -1.11888485301 0.297457405198 TCL: atom 1: phi = 0.382100206343 TCL: Center of mass = 16.860015115 -1.11900798066 0.297535916313 TCL: atom 1: phi = 0.382153327522 TCL: Center of mass = 16.8615119811 -1.11910555879 0.297638933432 TCL: atom 1: phi = 0.382011614762 TCL: Center of mass = 16.8630183395 -1.11919256908 0.297747668916 TCL: atom 1: phi = 0.381847124205 TCL: Center of mass = 16.8645124606 -1.11923462647 0.2978600709 TCL: atom 1: phi = 0.381420864723 TCL: Center of mass = 16.8660068831 -1.1192760856 0.297965657165 TCL: atom 1: phi = 0.381002572962 TCL: Center of mass = 16.8674793159 -1.11928506051 0.298064027354 TCL: atom 1: phi = 0.380441741036 TCL: Center of mass = 16.8689642692 -1.11928590518 0.298152752816 TCL: atom 1: phi = 0.379964804194 TCL: Center of mass = 16.8704222198 -1.11925718703 0.298220512888 TCL: atom 1: phi = 0.379375228908 TCL: Center of mass = 16.8718971732 -1.11922371788 0.298285725307 TCL: atom 1: phi = 0.378955721676 TCL: Center of mass = 16.8733786451 -1.11913224079 0.298374704862 TCL: atom 1: phi = 0.37854598343 TCL: Center of mass = 16.874879339 -1.11900024017 0.298492961902 TCL: atom 1: phi = 0.378451455821 TCL: Center of mass = 16.8763777865 -1.11880460871 0.298626898301 TCL: atom 1: phi = 0.378516128424 TCL: Center of mass = 16.8779065609 -1.11860231495 0.298787054234 TCL: atom 1: phi = 0.378907222633 TCL: Center of mass = 16.879422677 -1.11837650708 0.298960751608 TCL: atom 1: phi = 0.379449598463 TCL: Center of mass = 16.8809346319 -1.1181671968 0.299148477464 TCL: atom 1: phi = 0.380218986003 TCL: Center of mass = 16.8824428706 -1.11794446129 0.299333222238 TCL: atom 1: phi = 0.380973207844 TCL: Center of mass = 16.8839506881 -1.11775597236 0.299515754849 TCL: atom 1: phi = 0.381890199232 TCL: Center of mass = 16.8854811109 -1.11755427017 0.299706274171 TCL: atom 1: phi = 0.382720810093 TCL: Center of mass = 16.8870419761 -1.11737497227 0.299902316715 TCL: atom 1: phi = 0.383665924261 TCL: Center of mass = 16.8886208416 -1.11721383705 0.300082017017 TCL: atom 1: phi = 0.384444902003 TCL: Center of mass = 16.8902106065 -1.11705944669 0.300291591527 TCL: atom 1: phi = 0.385301949424 TCL: Center of mass = 16.8917993238 -1.11691833216 0.300508961235 TCL: atom 1: phi = 0.386008928926 TCL: Center of mass = 16.8933915635 -1.11680478269 0.300729892993 TCL: atom 1: phi = 0.386796107431 TCL: Center of mass = 16.8949724915 -1.11672451012 0.300962923571 TCL: atom 1: phi = 0.387391489936 TCL: Center of mass = 16.8965526352 -1.11666087328 0.301201641067 TCL: atom 1: phi = 0.388000055428 TCL: Center of mass = 16.8981051828 -1.11661187694 0.301423836816 TCL: atom 1: phi = 0.388407349221 TCL: Center of mass = 16.8996520961 -1.11656608034 0.301659385854 TCL: atom 1: phi = 0.388846565601 TCL: Center of mass = 16.9012147869 -1.11650271644 0.301882778152 TCL: atom 1: phi = 0.389044785763 TCL: Center of mass = 16.9027909319 -1.11643741389 0.302084938063 TCL: atom 1: phi = 0.389255224055 TCL: Center of mass = 16.9043820594 -1.11638993865 0.302280096551 TCL: atom 1: phi = 0.389270688957 TCL: Center of mass = 16.9060013932 -1.11634916172 0.30245331895 TCL: atom 1: phi = 0.389301903541 TCL: Center of mass = 16.9076083776 -1.11631205409 0.302605262835 TCL: atom 1: phi = 0.389106734418 TCL: Center of mass = 16.9092196461 -1.11626718917 0.302730884576 TCL: atom 1: phi = 0.388960554648 TCL: Center of mass = 16.9108007304 -1.11623346834 0.302827018448 TCL: atom 1: phi = 0.388617069731 TCL: Center of mass = 16.9123619799 -1.11620928837 0.302911091995 TCL: atom 1: phi = 0.388299746143 TCL: Center of mass = 16.9138760508 -1.11619982526 0.302949601051 TCL: atom 1: phi = 0.387844318759 TCL: Center of mass = 16.9153681445 -1.11616715222 0.30298029439 TCL: atom 1: phi = 0.387492972296 TCL: Center of mass = 16.9168339312 -1.11610408558 0.30297303581 TCL: atom 1: phi = 0.387049919075 TCL: Center of mass = 16.9183141989 -1.11600819764 0.302929708122 TCL: atom 1: phi = 0.386750023338 TCL: Center of mass = 16.9198027555 -1.11586991164 0.302840628642 TCL: atom 1: phi = 0.386348424411 TCL: Center of mass = 16.921324926 -1.11571336882 0.302712537195 TCL: atom 1: phi = 0.386115209615 TCL: Center of mass = 16.9228529182 -1.11554429216 0.302522915957 TCL: atom 1: phi = 0.385863836464 TCL: Center of mass = 16.9243824959 -1.1153811004 0.302306184466 TCL: atom 1: phi = 0.385798010838 TCL: Center of mass = 16.9258879676 -1.11523339081 0.302058621881 TCL: atom 1: phi = 0.385656939487 TCL: Center of mass = 16.9273764205 -1.11510958818 0.301781374623 TCL: atom 1: phi = 0.385653880481 TCL: Center of mass = 16.9288373707 -1.11501852684 0.301481865928 TCL: atom 1: phi = 0.38559722496 TCL: Center of mass = 16.930271647 -1.11494694418 0.301171656144 TCL: atom 1: phi = 0.385651808305 TCL: Center of mass = 16.9316778044 -1.11488654008 0.300871789274 TCL: atom 1: phi = 0.3855981727 TCL: Center of mass = 16.9330746567 -1.11483321205 0.300574657265 TCL: atom 1: phi = 0.385689300329 TCL: Center of mass = 16.9344790009 -1.11476289749 0.300287670801 TCL: atom 1: phi = 0.385727505127 TCL: Center of mass = 16.9359131843 -1.11467920521 0.299999851177 TCL: atom 1: phi = 0.386012468714 TCL: Center of mass = 16.9373432437 -1.1145858956 0.29972939852 TCL: atom 1: phi = 0.386343778479 TCL: Center of mass = 16.9387814747 -1.11446409766 0.299455936576 TCL: atom 1: phi = 0.386912568791 TCL: Center of mass = 16.9402150878 -1.11435022333 0.299195984756 TCL: atom 1: phi = 0.387462845589 TCL: Center of mass = 16.9416324685 -1.1142547743 0.298953384733 TCL: atom 1: phi = 0.388161365938 TCL: Center of mass = 16.9429992481 -1.11418309577 0.298743042576 TCL: atom 1: phi = 0.388725995507 TCL: Center of mass = 16.9443385664 -1.11415971764 0.298583722813 TCL: atom 1: phi = 0.389404988341 TCL: Center of mass = 16.9456559079 -1.11414475626 0.298468011275 TCL: atom 1: phi = 0.389877502144 TCL: Center of mass = 16.9469876797 -1.11413900468 0.298401775505 TCL: atom 1: phi = 0.390280520021 TCL: Center of mass = 16.9483185442 -1.11412424539 0.298376729184 TCL: atom 1: phi = 0.390428518451 TCL: Center of mass = 16.9496888155 -1.11409270225 0.298375140893 TCL: atom 1: phi = 0.39049892513 TCL: Center of mass = 16.951074582 -1.1140468264 0.298370541751 TCL: atom 1: phi = 0.390251924284 TCL: Center of mass = 16.952485909 -1.11399695865 0.298358767924 TCL: atom 1: phi = 0.389943710339 TCL: Center of mass = 16.9538893247 -1.11395198673 0.298323919425 TCL: atom 1: phi = 0.389322901069 TCL: Center of mass = 16.9552872844 -1.11392455373 0.298281517582 TCL: atom 1: phi = 0.388628250832 TCL: Center of mass = 16.9566442468 -1.11392903984 0.298232927312 TCL: atom 1: phi = 0.387512294551 TCL: Center of mass = 16.9579715482 -1.11398419015 0.298184591199 TCL: atom 1: phi = 0.386357644665 TCL: Center of mass = 16.9592392265 -1.11405139878 0.298158473975 TCL: atom 1: phi = 0.384884167322 TCL: Center of mass = 16.960515275 -1.11414422658 0.298142009298 TCL: atom 1: phi = 0.383457160463 TCL: Center of mass = 16.96179548 -1.11427837203 0.298138963525 TCL: atom 1: phi = 0.381970612955 TCL: Center of mass = 16.9630990673 -1.11439386213 0.298167094593 TCL: atom 1: phi = 0.38071343506 TCL: Center of mass = 16.9644060307 -1.11449395638 0.298183944649 TCL: atom 1: phi = 0.379554844684 TCL: Center of mass = 16.9657501068 -1.11458278119 0.298195659254 TCL: atom 1: phi = 0.378769556496 TCL: Center of mass = 16.9671077812 -1.11466644383 0.298191425827 TCL: atom 1: phi = 0.378141879017 TCL: Center of mass = 16.9684645958 -1.11475059212 0.298178183284 TCL: atom 1: phi = 0.377833156355 TCL: Center of mass = 16.9697833616 -1.11485925933 0.298152696318 TCL: atom 1: phi = 0.377613159837 TCL: Center of mass = 16.9710778071 -1.1150046223 0.298157081096 TCL: atom 1: phi = 0.377659488203 TCL: Center of mass = 16.9723579816 -1.11517994431 0.298183601502 TCL: atom 1: phi = 0.377759262628 TCL: Center of mass = 16.9736379952 -1.11536656815 0.2982382284 TCL: atom 1: phi = 0.378111603312 TCL: Center of mass = 16.9749065205 -1.11557088922 0.298335893268 TCL: atom 1: phi = 0.378572946215 LDB: LOAD: AVG 1.65469 MAX 5.43678 MSGS: TOTAL 80 MAXC 8 MAXP 10 None Warning: 1 processors are overloaded due to high background load. LDB: LOAD: AVG 1.65469 MAX 5.43678 MSGS: TOTAL 80 MAXC 8 MAXP 10 Refine TCL: Center of mass = 16.9762021074 -1.11577851161 0.298453835698 TCL: atom 1: phi = 0.379278566515 TCL: Center of mass = 16.9775047054 -1.11597434199 0.298582552461 TCL: atom 1: phi = 0.380005257223 WRITING COORDINATES TO DCD FILE AT STEP 12400 WRITING COORDINATES TO RESTART FILE AT STEP 12400 FINISHED WRITING RESTART COORDINATES TIMING: 12400 CPU: 662.362, 0.0541418/step Wall: 792.043, 0.0661435/step, 0.139636 hours remaining, 13612 kB of memory in use. ENERGY: 12400 3502.5159 2574.8164 378.7679 36.6714 -44688.3744 4183.5673 0.0000 0.0000 9761.8768 -24250.1587 289.3817 -24102.1160 -24111.4514 291.7974 1446.2528 -736.6699 125000.0000 -670.0265 -666.7360 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12400 WRITING VELOCITIES TO RESTART FILE AT STEP 12400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 16.9788067459 -1.11614589057 0.298721165864 TCL: atom 1: phi = 0.380975152158 TCL: Center of mass = 16.9801158615 -1.11629839575 0.298845454287 TCL: atom 1: phi = 0.381952683147 TCL: Center of mass = 16.9814292387 -1.11645471558 0.298952102729 TCL: atom 1: phi = 0.383059412735 TCL: Center of mass = 16.9827221876 -1.11662657993 0.299028265979 TCL: atom 1: phi = 0.38407365071 TCL: Center of mass = 16.9840161156 -1.11679241561 0.299081142004 TCL: atom 1: phi = 0.38516451747 TCL: Center of mass = 16.9852855663 -1.11696462717 0.299114591071 TCL: atom 1: phi = 0.38605386318 TCL: Center of mass = 16.9865530743 -1.11713796102 0.299154869468 TCL: atom 1: phi = 0.386907856007 TCL: Center of mass = 16.9877947641 -1.11729861021 0.299202338252 TCL: atom 1: phi = 0.387549874762 TCL: Center of mass = 16.9890456892 -1.11746347274 0.299268734159 TCL: atom 1: phi = 0.38822428089 TCL: Center of mass = 16.990280078 -1.11761752903 0.299333786722 TCL: atom 1: phi = 0.388767747788 TCL: Center of mass = 16.9915182205 -1.11776761394 0.299404450716 TCL: atom 1: phi = 0.389328934349 TCL: Center of mass = 16.9927331132 -1.11790862667 0.29946755052 TCL: atom 1: phi = 0.389700784698 TCL: Center of mass = 16.9939467066 -1.11804516679 0.299531468304 TCL: atom 1: phi = 0.390036036919 TCL: Center of mass = 16.995114954 -1.11817516294 0.299592786443 TCL: atom 1: phi = 0.390101636636 TCL: Center of mass = 16.9962846105 -1.11831058413 0.299648664974 TCL: atom 1: phi = 0.390061421967 TCL: Center of mass = 16.9974404806 -1.11844455826 0.299712456914 TCL: atom 1: phi = 0.389706529889 TCL: Center of mass = 16.9986003618 -1.11858037167 0.299763268664 TCL: atom 1: phi = 0.389219981559 TCL: Center of mass = 16.9997325571 -1.11871167783 0.29984953434 TCL: atom 1: phi = 0.388484918552 TCL: Center of mass = 17.0008527019 -1.11886995611 0.299973037816 TCL: atom 1: phi = 0.387727359242 TCL: Center of mass = 17.0019748192 -1.11903926551 0.300134313368 TCL: atom 1: phi = 0.386815857663 TCL: Center of mass = 17.0030893574 -1.11922726299 0.300321618126 TCL: atom 1: phi = 0.385957477191 TCL: Center of mass = 17.004201728 -1.11943612363 0.300516300984 TCL: atom 1: phi = 0.385060041252 TCL: Center of mass = 17.0053239659 -1.11966669496 0.300726791035 TCL: atom 1: phi = 0.38429747173 TCL: Center of mass = 17.0064673727 -1.11991863573 0.300924371782 TCL: atom 1: phi = 0.383554026624 TCL: Center of mass = 17.0076499987 -1.12018776023 0.301112434735 TCL: atom 1: phi = 0.383031574055 TCL: Center of mass = 17.0088733847 -1.1204749088 0.301300811973 TCL: atom 1: phi = 0.382516819742 TCL: Center of mass = 17.0101653162 -1.12077620778 0.301488755999 TCL: atom 1: phi = 0.382153781351 TCL: Center of mass = 17.011483341 -1.12108637023 0.30168923127 TCL: atom 1: phi = 0.381959986378 TCL: Center of mass = 17.0128396979 -1.1213942722 0.301896319651 TCL: atom 1: phi = 0.382063756473 TCL: Center of mass = 17.0141945982 -1.12169645403 0.302094342871 TCL: atom 1: phi = 0.382363133619 TCL: Center of mass = 17.0155646269 -1.12201460196 0.302306539388 TCL: atom 1: phi = 0.383016495896 TCL: Center of mass = 17.0169244506 -1.12234695835 0.302535955328 TCL: atom 1: phi = 0.383858159128 TCL: Center of mass = 17.0183050383 -1.12267634793 0.302750360732 TCL: atom 1: phi = 0.385041715332 TCL: Center of mass = 17.0196742988 -1.12297202533 0.302973976539 TCL: atom 1: phi = 0.386315882544 TCL: Center of mass = 17.0210826776 -1.12325013447 0.303184775095 TCL: atom 1: phi = 0.387846649437 TCL: Center of mass = 17.0225279193 -1.12347782707 0.303390833876 TCL: atom 1: phi = 0.38941406252 TCL: Center of mass = 17.0240245613 -1.12367431777 0.303604219461 TCL: atom 1: phi = 0.391092428561 TCL: Center of mass = 17.0255463426 -1.12383791022 0.303810036179 TCL: atom 1: phi = 0.392644347373 TCL: Center of mass = 17.0270944997 -1.12400111748 0.303990634855 TCL: atom 1: phi = 0.394234240237 TCL: Center of mass = 17.0286318499 -1.1241538532 0.304157133889 TCL: atom 1: phi = 0.395651235153 TCL: Center of mass = 17.0301377746 -1.12431260196 0.304322718682 TCL: atom 1: phi = 0.397064834417 TCL: Center of mass = 17.031594217 -1.1245051501 0.304516830278 TCL: atom 1: phi = 0.398290583284 TCL: Center of mass = 17.0330000746 -1.12473163937 0.304725198892 TCL: atom 1: phi = 0.399547569861 TCL: Center of mass = 17.0343467351 -1.12498146925 0.304929566465 TCL: atom 1: phi = 0.400620797219 TCL: Center of mass = 17.035676758 -1.1252374235 0.305145205192 TCL: atom 1: phi = 0.401583089068 TCL: Center of mass = 17.036981802 -1.12549519031 0.305352582537 TCL: atom 1: phi = 0.402330487587 TCL: Center of mass = 17.0383239176 -1.12575141184 0.305561684643 TCL: atom 1: phi = 0.40291731564 TCL: Center of mass = 17.0396854458 -1.12599880993 0.305740567652 TCL: atom 1: phi = 0.403191823646 TCL: Center of mass = 17.0410476113 -1.12626635097 0.30589155747 TCL: atom 1: phi = 0.403326727477 TCL: Center of mass = 17.0423907961 -1.12653290188 0.306005625423 TCL: atom 1: phi = 0.403215304577 TCL: Center of mass = 17.0437186323 -1.12681895671 0.306122023788 TCL: atom 1: phi = 0.403088256293 TCL: Center of mass = 17.0449779177 -1.12711978985 0.306211013255 TCL: atom 1: phi = 0.402849234855 TCL: Center of mass = 17.0462042641 -1.12745256434 0.306298040582 TCL: atom 1: phi = 0.402659676736 TCL: Center of mass = 17.0473878625 -1.12780740133 0.306385950025 TCL: atom 1: phi = 0.402435081141 TCL: Center of mass = 17.0485429507 -1.12816632098 0.30647024262 TCL: atom 1: phi = 0.402252793786 TCL: Center of mass = 17.0497147624 -1.12851300796 0.306559509184 TCL: atom 1: phi = 0.40195104025 TCL: Center of mass = 17.0509230468 -1.12883948815 0.306630859939 TCL: atom 1: phi = 0.401619831217 TCL: Center of mass = 17.052159082 -1.1291292453 0.306684532293 TCL: atom 1: phi = 0.401120235989 TCL: Center of mass = 17.0534464925 -1.12941824127 0.306740714646 TCL: atom 1: phi = 0.400616192237 TCL: Center of mass = 17.0547724058 -1.12968404969 0.306745554877 TCL: atom 1: phi = 0.400091902619 TCL: Center of mass = 17.0561125563 -1.12994931233 0.306753716737 TCL: atom 1: phi = 0.399675338436 TCL: Center of mass = 17.0574443738 -1.13022774999 0.306738356249 TCL: atom 1: phi = 0.399333459952 TCL: Center of mass = 17.058754756 -1.13053945954 0.30671459788 TCL: atom 1: phi = 0.399087409723 TCL: Center of mass = 17.0600508788 -1.13088434331 0.306688513053 TCL: atom 1: phi = 0.39892646487 TCL: Center of mass = 17.0613486471 -1.13124308895 0.306688997023 TCL: atom 1: phi = 0.398937188924 TCL: Center of mass = 17.062647617 -1.13161674186 0.306692545744 TCL: atom 1: phi = 0.398940191797 TCL: Center of mass = 17.0639719926 -1.1319865161 0.306715484761 TCL: atom 1: phi = 0.399051046343 TCL: Center of mass = 17.0653097223 -1.13236282345 0.30673545623 TCL: atom 1: phi = 0.39911216816 TCL: Center of mass = 17.0666829475 -1.13272505298 0.306773083196 TCL: atom 1: phi = 0.399262158741 TCL: Center of mass = 17.0680719409 -1.1330778813 0.306783418079 TCL: atom 1: phi = 0.399444377409 TCL: Center of mass = 17.0694698266 -1.13342189309 0.306761239751 TCL: atom 1: phi = 0.399775644817 TCL: Center of mass = 17.0708651763 -1.13377203711 0.306700131029 TCL: atom 1: phi = 0.400211654986 TCL: Center of mass = 17.0722330776 -1.13411829291 0.306641284532 TCL: atom 1: phi = 0.400801645682 TCL: Center of mass = 17.0735601714 -1.13446323338 0.306571443546 TCL: atom 1: phi = 0.40141266203 TCL: Center of mass = 17.0748698647 -1.1347982767 0.306511941653 TCL: atom 1: phi = 0.402145389783 TCL: Center of mass = 17.0761698246 -1.13512773235 0.306462561606 TCL: atom 1: phi = 0.402815840992 TCL: Center of mass = 17.0774581712 -1.13544727254 0.306456663092 TCL: atom 1: phi = 0.40351044096 TCL: Center of mass = 17.0787487721 -1.13573173343 0.306502770918 TCL: atom 1: phi = 0.404023795738 TCL: Center of mass = 17.0800579014 -1.13599025496 0.306582868468 TCL: atom 1: phi = 0.40449422145 TCL: Center of mass = 17.0813893784 -1.13620840277 0.306671929068 TCL: atom 1: phi = 0.404741589641 TCL: Center of mass = 17.0827671304 -1.1364057321 0.306758032074 TCL: atom 1: phi = 0.404950609259 TCL: Center of mass = 17.0841319073 -1.13658294771 0.306824759298 TCL: atom 1: phi = 0.404934441241 TCL: Center of mass = 17.0855134567 -1.1367614527 0.306868197104 TCL: atom 1: phi = 0.404881340266 TCL: Center of mass = 17.0869065191 -1.13691788428 0.30688617656 TCL: atom 1: phi = 0.404537542612 TCL: Center of mass = 17.0883208236 -1.1370721851 0.306902343501 TCL: atom 1: phi = 0.404195483327 TCL: Center of mass = 17.0897190116 -1.13722746804 0.30691833644 TCL: atom 1: phi = 0.403563701593 TCL: Center of mass = 17.091134945 -1.13739719203 0.306930065464 TCL: atom 1: phi = 0.402900797878 TCL: Center of mass = 17.092564524 -1.1375868087 0.306960246921 TCL: atom 1: phi = 0.402058981832 TCL: Center of mass = 17.0940006489 -1.13780015889 0.306965512406 TCL: atom 1: phi = 0.401279933803 TCL: Center of mass = 17.0954469931 -1.13802675248 0.306940666728 TCL: atom 1: phi = 0.40048599207 TCL: Center of mass = 17.0969051847 -1.13825011191 0.30691688584 TCL: atom 1: phi = 0.399953738982 TCL: Center of mass = 17.0983788839 -1.13846736906 0.306851753918 TCL: atom 1: phi = 0.399635664983 TCL: Center of mass = 17.0998656715 -1.138714568 0.30672395477 TCL: atom 1: phi = 0.39969876154 TCL: Center of mass = 17.1013613041 -1.13896418451 0.30653265626 TCL: atom 1: phi = 0.399976977869 TCL: Center of mass = 17.1028763906 -1.13922772655 0.306296951818 TCL: atom 1: phi = 0.400571498486 TCL: Center of mass = 17.1043900424 -1.13949938314 0.306011360955 TCL: atom 1: phi = 0.401242742604 TCL: Center of mass = 17.1058972275 -1.13978553905 0.305698158073 TCL: atom 1: phi = 0.40208861603 TCL: Center of mass = 17.1073621534 -1.1400837907 0.305388498765 TCL: atom 1: phi = 0.402892101153 TCL: Center of mass = 17.1088090947 -1.14041214475 0.30508893303 TCL: atom 1: phi = 0.403741575706 TCL: Center of mass = 17.1102390683 -1.14073417654 0.304791562567 TCL: atom 1: phi = 0.40441101779 WRITING COORDINATES TO DCD FILE AT STEP 12500 WRITING COORDINATES TO RESTART FILE AT STEP 12500 FINISHED WRITING RESTART COORDINATES TIMING: 12500 CPU: 667.742, 0.0538018/step Wall: 798.417, 0.0637393/step, 0.13279 hours remaining, 13612 kB of memory in use. ENERGY: 12500 3374.8332 2563.5262 395.2987 33.1329 -44585.5262 4021.7751 0.0000 0.0000 9907.0351 -24289.9251 293.6848 -24146.4687 -24137.8722 292.0547 1249.6955 -869.5338 125000.0000 -767.7148 -770.6387 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12500 WRITING VELOCITIES TO RESTART FILE AT STEP 12500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 17.1116497228 -1.14103725455 0.304513764203 TCL: atom 1: phi = 0.405138873462 TCL: Center of mass = 17.1130423073 -1.14131352569 0.304222289172 TCL: atom 1: phi = 0.405683283334 TCL: Center of mass = 17.1144626082 -1.14155348315 0.303930436814 TCL: atom 1: phi = 0.40625354506 TCL: Center of mass = 17.1158837004 -1.14173937634 0.303629725014 TCL: atom 1: phi = 0.40661035978 TCL: Center of mass = 17.1173364779 -1.14188692962 0.303338548109 TCL: atom 1: phi = 0.406938357847 TCL: Center of mass = 17.1188126813 -1.14200556493 0.303054571878 TCL: atom 1: phi = 0.40700170042 TCL: Center of mass = 17.120313905 -1.14209535905 0.302793199164 TCL: atom 1: phi = 0.406952463325 TCL: Center of mass = 17.1218367349 -1.14217052519 0.302539270336 TCL: atom 1: phi = 0.40660628067 TCL: Center of mass = 17.123349587 -1.14226633781 0.30233371008 TCL: atom 1: phi = 0.406149063896 TCL: Center of mass = 17.1248291831 -1.14236713591 0.302153040409 TCL: atom 1: phi = 0.405345912866 TCL: Center of mass = 17.126296905 -1.1424669025 0.302000035349 TCL: atom 1: phi = 0.404531870046 TCL: Center of mass = 17.1277310753 -1.14256821908 0.301854460117 TCL: atom 1: phi = 0.403540234786 TCL: Center of mass = 17.1291707029 -1.14267701169 0.301715303909 TCL: atom 1: phi = 0.40264528654 TCL: Center of mass = 17.1306382413 -1.14277545064 0.3015597644 TCL: atom 1: phi = 0.401686254785 TCL: Center of mass = 17.1321564907 -1.14288307218 0.301396614022 TCL: atom 1: phi = 0.40088980362 TCL: Center of mass = 17.133721573 -1.14298959331 0.301207358008 TCL: atom 1: phi = 0.40005097449 TCL: Center of mass = 17.1353117922 -1.14312024204 0.301000347587 TCL: atom 1: phi = 0.399411619578 TCL: Center of mass = 17.1369121698 -1.14326836379 0.300797683883 TCL: atom 1: phi = 0.398714096541 TCL: Center of mass = 17.1385059813 -1.14346206522 0.300607293791 TCL: atom 1: phi = 0.398110715612 TCL: Center of mass = 17.1400774847 -1.14368853759 0.300440546583 TCL: atom 1: phi = 0.39748716348 TCL: Center of mass = 17.1416085314 -1.14395184076 0.30031163053 TCL: atom 1: phi = 0.396995497765 TCL: Center of mass = 17.1431057172 -1.14422008596 0.300191468056 TCL: atom 1: phi = 0.396484958188 TCL: Center of mass = 17.144607346 -1.14448580728 0.300124955575 TCL: atom 1: phi = 0.396126382525 TCL: Center of mass = 17.1461180931 -1.14473452053 0.300066005642 TCL: atom 1: phi = 0.395809352083 TCL: Center of mass = 17.1476687697 -1.14496327767 0.300026226166 TCL: atom 1: phi = 0.395646375852 TCL: Center of mass = 17.1492557327 -1.14514436942 0.299987497715 TCL: atom 1: phi = 0.39551341376 TCL: Center of mass = 17.1508958869 -1.14530084354 0.299958549429 TCL: atom 1: phi = 0.395585637431 TCL: Center of mass = 17.1525682852 -1.14545578375 0.29991795836 TCL: atom 1: phi = 0.395632047012 TCL: Center of mass = 17.1542728792 -1.14559456078 0.29990108841 TCL: atom 1: phi = 0.395693773176 TCL: Center of mass = 17.1559814316 -1.14571996125 0.299884844707 TCL: atom 1: phi = 0.395684026352 TCL: Center of mass = 17.1576706164 -1.14584526255 0.299878197961 TCL: atom 1: phi = 0.395636998413 TCL: Center of mass = 17.1593442947 -1.14594588282 0.299892477156 TCL: atom 1: phi = 0.39555302569 TCL: Center of mass = 17.1610155947 -1.14602369682 0.299943393285 TCL: atom 1: phi = 0.395562017613 TCL: Center of mass = 17.1626914937 -1.1460865342 0.300004249568 TCL: atom 1: phi = 0.395600630739 TCL: Center of mass = 17.1643866952 -1.14612623012 0.300097766093 TCL: atom 1: phi = 0.395759606174 TCL: Center of mass = 17.1661109618 -1.14614259671 0.300164830324 TCL: atom 1: phi = 0.395967972936 TCL: Center of mass = 17.1678623479 -1.14614108635 0.300227485501 TCL: atom 1: phi = 0.396254988166 TCL: Center of mass = 17.1696162188 -1.14612422667 0.300250760057 TCL: atom 1: phi = 0.396402948645 TCL: Center of mass = 17.171352736 -1.1461178799 0.300235464456 TCL: atom 1: phi = 0.396477507527 TCL: Center of mass = 17.1730779418 -1.14612831189 0.300171716392 TCL: atom 1: phi = 0.396307145473 TCL: Center of mass = 17.1747738891 -1.14616226864 0.300084497982 TCL: atom 1: phi = 0.395972654079 TCL: Center of mass = 17.1764457534 -1.14620874784 0.299961826773 TCL: atom 1: phi = 0.395403675127 TCL: Center of mass = 17.1780779412 -1.14627887451 0.299828107431 TCL: atom 1: phi = 0.394728138618 TCL: Center of mass = 17.1797048206 -1.14636319891 0.299685887184 TCL: atom 1: phi = 0.393904233691 TCL: Center of mass = 17.1813375987 -1.14647554675 0.299544341374 TCL: atom 1: phi = 0.393093563474 TCL: Center of mass = 17.1830013215 -1.14657552704 0.299401665581 TCL: atom 1: phi = 0.392215379684 TCL: Center of mass = 17.1846957975 -1.1466652547 0.299263603867 TCL: atom 1: phi = 0.391401089757 TCL: Center of mass = 17.1864287955 -1.14676371239 0.299104150203 TCL: atom 1: phi = 0.39056450401 TCL: Center of mass = 17.188160992 -1.14688537032 0.298942413713 TCL: atom 1: phi = 0.389719092237 TCL: Center of mass = 17.1898937941 -1.14700913533 0.298754471758 TCL: atom 1: phi = 0.388838763695 TCL: Center of mass = 17.1916190183 -1.14714255751 0.298550421446 TCL: atom 1: phi = 0.387953272353 TCL: Center of mass = 17.1933421262 -1.1472665946 0.298328206407 TCL: atom 1: phi = 0.387167439942 TCL: Center of mass = 17.195057181 -1.14737357874 0.298106175444 TCL: atom 1: phi = 0.386618453317 TCL: Center of mass = 17.1967809153 -1.14749860145 0.297884382921 TCL: atom 1: phi = 0.386315419373 TCL: Center of mass = 17.198503953 -1.14761505846 0.297670834419 TCL: atom 1: phi = 0.386309542804 TCL: Center of mass = 17.2002329244 -1.14770523446 0.297461407859 TCL: atom 1: phi = 0.3865629062 TCL: Center of mass = 17.201997572 -1.14775352705 0.297265103443 TCL: atom 1: phi = 0.387081687708 TCL: Center of mass = 17.2037950732 -1.14777703541 0.297081257736 TCL: atom 1: phi = 0.387761031823 TCL: Center of mass = 17.2056110631 -1.14777013466 0.296903201488 TCL: atom 1: phi = 0.388509667427 TCL: Center of mass = 17.2074280884 -1.14776345995 0.296694484094 TCL: atom 1: phi = 0.389284925072 TCL: Center of mass = 17.2092593857 -1.147745892 0.296467448613 TCL: atom 1: phi = 0.390064487591 TCL: Center of mass = 17.2111011208 -1.14774581285 0.296191686955 TCL: atom 1: phi = 0.390805141461 TCL: Center of mass = 17.2129509611 -1.14775854834 0.295899932372 TCL: atom 1: phi = 0.391468160698 TCL: Center of mass = 17.214807346 -1.14780037137 0.29557975547 TCL: atom 1: phi = 0.392063165661 TCL: Center of mass = 17.2166594513 -1.14788680405 0.295246652153 TCL: atom 1: phi = 0.392658157104 TCL: Center of mass = 17.2185140836 -1.14799943381 0.294905733963 TCL: atom 1: phi = 0.393223263203 TCL: Center of mass = 17.2203685738 -1.14814550106 0.294576727849 TCL: atom 1: phi = 0.393810279973 TCL: Center of mass = 17.2222134554 -1.14831522176 0.294253719602 TCL: atom 1: phi = 0.394363099638 TCL: Center of mass = 17.2239957636 -1.1485152252 0.293952555576 TCL: atom 1: phi = 0.394901685355 TCL: Center of mass = 17.2257195234 -1.14871661575 0.293660233111 TCL: atom 1: phi = 0.395343133688 TCL: Center of mass = 17.2274180164 -1.14890670991 0.293372110613 TCL: atom 1: phi = 0.395713336397 TCL: Center of mass = 17.2290897661 -1.14908510465 0.293053630253 TCL: atom 1: phi = 0.395972284425 TCL: Center of mass = 17.230756322 -1.14926645162 0.292721629467 TCL: atom 1: phi = 0.396183541345 TCL: Center of mass = 17.2324167947 -1.14945304156 0.292374684737 TCL: atom 1: phi = 0.396342231095 TCL: Center of mass = 17.2340696418 -1.14965301866 0.292046270918 TCL: atom 1: phi = 0.396585325978 TCL: Center of mass = 17.2357002817 -1.14986467288 0.291726357989 TCL: atom 1: phi = 0.396883848199 TCL: Center of mass = 17.237314173 -1.15010543082 0.291451625901 TCL: atom 1: phi = 0.397295436406 TCL: Center of mass = 17.2388878298 -1.15035206736 0.291202229851 TCL: atom 1: phi = 0.397724621129 TCL: Center of mass = 17.2404288807 -1.15061033146 0.290976032996 TCL: atom 1: phi = 0.398106164231 TCL: Center of mass = 17.2419290286 -1.15083603054 0.290780881342 TCL: atom 1: phi = 0.398413880195 TCL: Center of mass = 17.2434100202 -1.15103745322 0.290627074228 TCL: atom 1: phi = 0.398654043121 TCL: Center of mass = 17.2448806548 -1.15120345019 0.290438728987 TCL: atom 1: phi = 0.398740170318 TCL: Center of mass = 17.2463519419 -1.15134652699 0.290213526155 TCL: atom 1: phi = 0.398714738022 TCL: Center of mass = 17.2478118691 -1.15145273797 0.289938409523 TCL: atom 1: phi = 0.398573483195 TCL: Center of mass = 17.2492861143 -1.1515701576 0.289630932375 TCL: atom 1: phi = 0.398418602902 TCL: Center of mass = 17.2507726736 -1.15171074979 0.289288205951 TCL: atom 1: phi = 0.398229891042 TCL: Center of mass = 17.252277024 -1.15190162951 0.288936805855 TCL: atom 1: phi = 0.398131476296 TCL: Center of mass = 17.2537606346 -1.1521305726 0.288604152806 TCL: atom 1: phi = 0.398018439335 TCL: Center of mass = 17.2552329379 -1.15242243134 0.28829107736 TCL: atom 1: phi = 0.397964083507 TCL: Center of mass = 17.256667896 -1.15275605239 0.287970807701 TCL: atom 1: phi = 0.397863385462 TCL: Center of mass = 17.2580997803 -1.15311602966 0.287653452674 TCL: atom 1: phi = 0.397870389898 TCL: Center of mass = 17.2595028619 -1.15347668698 0.28730877027 TCL: atom 1: phi = 0.397849745508 TCL: Center of mass = 17.2608998261 -1.15381597505 0.28695717501 TCL: atom 1: phi = 0.397964814472 TCL: Center of mass = 17.2623011023 -1.15412397367 0.286584427035 TCL: atom 1: phi = 0.398044786661 TCL: Center of mass = 17.2637422898 -1.15442076162 0.286185203443 TCL: atom 1: phi = 0.398261995854 TCL: Center of mass = 17.2651829681 -1.15470417283 0.285786055389 TCL: atom 1: phi = 0.398526296417 TCL: Center of mass = 17.2666384119 -1.15502749071 0.285393637531 TCL: atom 1: phi = 0.399024676462 TCL: Center of mass = 17.2680666995 -1.15540039197 0.285008886878 TCL: atom 1: phi = 0.399604486211 TCL: Center of mass = 17.2694927084 -1.15580443881 0.28466857237 TCL: atom 1: phi = 0.400317588843 TCL: Center of mass = 17.2708823181 -1.15622194751 0.284356237946 TCL: atom 1: phi = 0.401069304981 TIMING: 12600 CPU: 673.127, 0.0538418/step Wall: 804.768, 0.0635062/step, 0.13054 hours remaining, 13612 kB of memory in use. ENERGY: 12600 3471.5367 2439.6203 398.9648 47.4929 -44532.4802 4106.2107 0.0000 0.0000 9836.1790 -24232.4757 291.5844 -24084.9024 -24093.1899 292.3518 1473.2153 -874.6487 125000.0000 -653.2204 -653.9094 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12600 WRITING COORDINATES TO DCD FILE AT STEP 12600 WRITING COORDINATES TO RESTART FILE AT STEP 12600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 17.2722507973 -1.15659792732 0.284070524207 TCL: atom 1: phi = 0.401837232365 TCL: Center of mass = 17.2735788164 -1.156925256 0.283801165151 TCL: atom 1: phi = 0.402473787451 TCL: Center of mass = 17.2749069673 -1.1572033828 0.283532460565 TCL: atom 1: phi = 0.403041027504 TCL: Center of mass = 17.2762071832 -1.15739824777 0.283241393379 TCL: atom 1: phi = 0.403448562341 TCL: Center of mass = 17.2775470689 -1.15754055995 0.282939681057 TCL: atom 1: phi = 0.403872774193 TCL: Center of mass = 17.2788869891 -1.15763200576 0.282629109289 TCL: atom 1: phi = 0.404242902456 TCL: Center of mass = 17.2802541465 -1.15772578989 0.282313465567 TCL: atom 1: phi = 0.404737513091 TCL: Center of mass = 17.281614536 -1.15782722915 0.282018904669 TCL: atom 1: phi = 0.405234017003 TCL: Center of mass = 17.2829934703 -1.15795699963 0.281725418926 TCL: atom 1: phi = 0.405829543252 TCL: Center of mass = 17.2843416631 -1.1581150768 0.28146794854 TCL: atom 1: phi = 0.406354894261 TCL: Center of mass = 17.2857180201 -1.15829473391 0.281257164334 TCL: atom 1: phi = 0.406896251177 TCL: Center of mass = 17.2870890801 -1.15847785979 0.281063260851 TCL: atom 1: phi = 0.407348900395 TCL: Center of mass = 17.2884816466 -1.15865614356 0.280886314413 TCL: atom 1: phi = 0.407763531987 TCL: Center of mass = 17.2898718287 -1.1587915689 0.280731331069 TCL: atom 1: phi = 0.408066589763 TCL: Center of mass = 17.2913118219 -1.15892009953 0.280556550118 TCL: atom 1: phi = 0.408397239684 TCL: Center of mass = 17.2927791515 -1.15902389401 0.280377683442 TCL: atom 1: phi = 0.408733475398 TCL: Center of mass = 17.2942937086 -1.15912804413 0.280184487781 TCL: atom 1: phi = 0.409210697734 TCL: Center of mass = 17.2958195471 -1.159231219 0.280004841828 TCL: atom 1: phi = 0.409731947351 TCL: Center of mass = 17.2973590912 -1.15935524163 0.279836753687 TCL: atom 1: phi = 0.410385317513 TCL: Center of mass = 17.2988828007 -1.15947681171 0.279694956061 TCL: atom 1: phi = 0.41105751445 TCL: Center of mass = 17.3004060972 -1.15960821251 0.279565753192 TCL: atom 1: phi = 0.411768530989 TCL: Center of mass = 17.3018999035 -1.15973855993 0.279450666869 TCL: atom 1: phi = 0.412331442624 TCL: Center of mass = 17.3033765978 -1.15988575423 0.279360388171 TCL: atom 1: phi = 0.412865221604 TCL: Center of mass = 17.3048509715 -1.15998520806 0.279311200886 TCL: atom 1: phi = 0.413278021899 TCL: Center of mass = 17.3063268419 -1.16006209322 0.279295031152 TCL: atom 1: phi = 0.413668791812 TCL: Center of mass = 17.30779115 -1.16007969788 0.279293144337 TCL: atom 1: phi = 0.414003947531 TCL: Center of mass = 17.3092728214 -1.16006949049 0.279299325021 TCL: atom 1: phi = 0.414377427157 TCL: Center of mass = 17.3107464771 -1.16003888344 0.279318237034 TCL: atom 1: phi = 0.414751122566 TCL: Center of mass = 17.3122128426 -1.1600229477 0.279337289628 TCL: atom 1: phi = 0.415211303763 TCL: Center of mass = 17.3136425924 -1.16001187522 0.279344544109 TCL: atom 1: phi = 0.415542735668 TCL: Center of mass = 17.3150699141 -1.1600352513 0.279337860347 TCL: atom 1: phi = 0.415870085253 TCL: Center of mass = 17.3164798336 -1.16007663486 0.279341131095 TCL: atom 1: phi = 0.415994283672 TCL: Center of mass = 17.3178988953 -1.16014152197 0.279362848399 TCL: atom 1: phi = 0.41598117112 TCL: Center of mass = 17.3193191191 -1.16020630928 0.279415378979 TCL: atom 1: phi = 0.415784645114 TCL: Center of mass = 17.3207592524 -1.16030515639 0.279467766876 TCL: atom 1: phi = 0.415560445538 TCL: Center of mass = 17.3221942425 -1.16043127295 0.279523307643 TCL: atom 1: phi = 0.415303419109 TCL: Center of mass = 17.3236545623 -1.16057177558 0.279578166912 TCL: atom 1: phi = 0.415178192565 TCL: Center of mass = 17.3251167427 -1.16069659872 0.279633078015 TCL: atom 1: phi = 0.415155814598 TCL: Center of mass = 17.3265735188 -1.16081312354 0.279684088233 TCL: atom 1: phi = 0.415280903753 TCL: Center of mass = 17.3280157652 -1.16091036231 0.279706826472 TCL: atom 1: phi = 0.415511515999 TCL: Center of mass = 17.3294749971 -1.16099859395 0.279713580339 TCL: atom 1: phi = 0.415891330303 TCL: Center of mass = 17.3309298568 -1.16106812841 0.27969194562 TCL: atom 1: phi = 0.416333099342 TCL: Center of mass = 17.3323856497 -1.16113494874 0.279681952635 TCL: atom 1: phi = 0.416816061902 TCL: Center of mass = 17.3338461904 -1.16118568358 0.279678537955 TCL: atom 1: phi = 0.417273987055 TCL: Center of mass = 17.3352955035 -1.16123558447 0.279703448368 TCL: atom 1: phi = 0.417790154645 TCL: Center of mass = 17.3367091907 -1.16128619447 0.279743401848 TCL: atom 1: phi = 0.418291297131 TCL: Center of mass = 17.338110247 -1.16130467108 0.279812222137 TCL: atom 1: phi = 0.418936706182 TCL: Center of mass = 17.3394946054 -1.16130052133 0.279901248251 TCL: atom 1: phi = 0.419696892034 TCL: Center of mass = 17.3408797502 -1.16126715901 0.280025893581 TCL: atom 1: phi = 0.420605788396 TCL: Center of mass = 17.3422476186 -1.16120201608 0.28016486507 TCL: atom 1: phi = 0.421584503114 TCL: Center of mass = 17.3435994483 -1.16112504846 0.280310670988 TCL: atom 1: phi = 0.422660855938 TCL: Center of mass = 17.3449401358 -1.16104857532 0.28046313599 TCL: atom 1: phi = 0.423673529536 TCL: Center of mass = 17.346303678 -1.16097830709 0.280615785662 TCL: atom 1: phi = 0.424637720689 TCL: Center of mass = 17.3476649276 -1.16093116987 0.280792931712 TCL: atom 1: phi = 0.425470548395 TCL: Center of mass = 17.3490144768 -1.16089706923 0.280994207987 TCL: atom 1: phi = 0.426263016709 TCL: Center of mass = 17.3503338732 -1.16090796364 0.281211552092 TCL: atom 1: phi = 0.427030333736 TCL: Center of mass = 17.3516439076 -1.16095355237 0.281456395934 TCL: atom 1: phi = 0.427835135586 TCL: Center of mass = 17.3529221667 -1.16100708555 0.281717098392 TCL: atom 1: phi = 0.428658553518 TCL: Center of mass = 17.3542070097 -1.16107184396 0.281993775122 TCL: atom 1: phi = 0.42959306525 TCL: Center of mass = 17.3554980377 -1.16111517235 0.282261965104 TCL: atom 1: phi = 0.430521781298 TCL: Center of mass = 17.3567766942 -1.16113320892 0.282507976554 TCL: atom 1: phi = 0.431478848438 TCL: Center of mass = 17.3580585356 -1.16112250603 0.28270650735 TCL: atom 1: phi = 0.43237346123 TCL: Center of mass = 17.3593720932 -1.16109760947 0.282860126216 TCL: atom 1: phi = 0.433217550132 TCL: Center of mass = 17.3606940227 -1.16104492662 0.282991240983 TCL: atom 1: phi = 0.433862984212 TCL: Center of mass = 17.3620209426 -1.16101289686 0.283112724002 TCL: atom 1: phi = 0.434397974269 TCL: Center of mass = 17.3633501141 -1.16098118506 0.283237468389 TCL: atom 1: phi = 0.434790573385 TCL: Center of mass = 17.364658443 -1.16097181646 0.283375846563 TCL: atom 1: phi = 0.435174125574 TCL: Center of mass = 17.36595948 -1.16097090255 0.283525512175 TCL: atom 1: phi = 0.435474570202 TCL: Center of mass = 17.367272787 -1.16096727355 0.283676796658 TCL: atom 1: phi = 0.435833657653 TCL: Center of mass = 17.3685903659 -1.16094536207 0.283815131437 TCL: atom 1: phi = 0.436127439726 TCL: Center of mass = 17.3699227574 -1.16089895614 0.283931888477 TCL: atom 1: phi = 0.436502827751 TCL: Center of mass = 17.371274265 -1.16083413961 0.284019552677 TCL: atom 1: phi = 0.436783903837 TCL: Center of mass = 17.3726735505 -1.16074690742 0.284080442311 TCL: atom 1: phi = 0.437030490134 TCL: Center of mass = 17.3741309659 -1.16066991309 0.284120340833 TCL: atom 1: phi = 0.43717130358 TCL: Center of mass = 17.3756120742 -1.16061233999 0.284148432079 TCL: atom 1: phi = 0.43730721082 TCL: Center of mass = 17.3771050473 -1.16060875116 0.28417054269 TCL: atom 1: phi = 0.437298255665 TCL: Center of mass = 17.3786078116 -1.16065450997 0.284188585047 TCL: atom 1: phi = 0.437282450473 TCL: Center of mass = 17.3800786614 -1.16074362342 0.284226490139 TCL: atom 1: phi = 0.43716006662 TCL: Center of mass = 17.3815335737 -1.16088121593 0.284292772691 TCL: atom 1: phi = 0.437095841435 TCL: Center of mass = 17.3829584974 -1.16104197645 0.284370332636 TCL: atom 1: phi = 0.437078846634 TCL: Center of mass = 17.3843984786 -1.1611879868 0.284455271384 TCL: atom 1: phi = 0.437237133009 TCL: Center of mass = 17.3858538847 -1.16133766519 0.284530364512 TCL: atom 1: phi = 0.437455822707 TCL: Center of mass = 17.3873196079 -1.16148236891 0.284581898296 TCL: atom 1: phi = 0.437834215957 TCL: Center of mass = 17.3887823674 -1.16160423265 0.284602146516 TCL: atom 1: phi = 0.438240649341 TCL: Center of mass = 17.3902779636 -1.16173170483 0.284593317395 TCL: atom 1: phi = 0.438758079656 TCL: Center of mass = 17.3917823844 -1.16186913302 0.284573592002 TCL: atom 1: phi = 0.439286216102 TCL: Center of mass = 17.3932669483 -1.16204414482 0.284568891009 TCL: atom 1: phi = 0.43993522348 TCL: Center of mass = 17.3947120665 -1.16224172889 0.284574070655 TCL: atom 1: phi = 0.44066870629 TCL: Center of mass = 17.3961225365 -1.16246106583 0.284627467006 TCL: atom 1: phi = 0.44166097481 TCL: Center of mass = 17.3975005549 -1.16266309854 0.28472646188 TCL: atom 1: phi = 0.442714450918 TCL: Center of mass = 17.3988758934 -1.16284739972 0.284849549375 TCL: atom 1: phi = 0.443992265893 TCL: Center of mass = 17.4002499402 -1.16299985054 0.28501088159 TCL: atom 1: phi = 0.445304163353 TCL: Center of mass = 17.4016255536 -1.16313105617 0.285199110031 TCL: atom 1: phi = 0.446730372863 TCL: Center of mass = 17.4030044592 -1.16320711998 0.285394202567 TCL: atom 1: phi = 0.448056841455 TCL: Center of mass = 17.4044204226 -1.16326951196 0.28558138092 TCL: atom 1: phi = 0.449420719778 TCL: Center of mass = 17.4058394647 -1.16334604592 0.285765322535 TCL: atom 1: phi = 0.450651422631 TCL: Center of mass = 17.4072753871 -1.1634370353 0.285966117804 TCL: atom 1: phi = 0.451899657082 TCL: Center of mass = 17.4086876975 -1.16354601501 0.286159367275 TCL: atom 1: phi = 0.453055141902 TCL: Center of mass = 17.4100980562 -1.16368288925 0.286358122893 TCL: atom 1: phi = 0.454275426844 TCL: Center of mass = 17.411488495 -1.16382888637 0.286566134193 TCL: atom 1: phi = 0.455428496127 WRITING COORDINATES TO DCD FILE AT STEP 12700 WRITING COORDINATES TO RESTART FILE AT STEP 12700 FINISHED WRITING RESTART COORDINATES TIMING: 12700 CPU: 678.514, 0.0538718/step Wall: 811.147, 0.063786/step, 0.129344 hours remaining, 13612 kB of memory in use. ENERGY: 12700 3366.1954 2508.1415 395.2603 41.5148 -44616.6790 4072.0182 0.0000 0.0000 9951.5764 -24281.9725 295.0052 -24137.9257 -24131.6685 292.4105 1697.4072 -641.6834 125000.0000 -893.6900 -888.5474 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12700 WRITING VELOCITIES TO RESTART FILE AT STEP 12700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 17.4128868852 -1.16394124988 0.286805501652 TCL: atom 1: phi = 0.456641751265 TCL: Center of mass = 17.414299739 -1.16404022205 0.287059267917 TCL: atom 1: phi = 0.457712026099 TCL: Center of mass = 17.4157514123 -1.1641073788 0.287333099668 TCL: atom 1: phi = 0.458843770551 TCL: Center of mass = 17.4172013708 -1.16413752156 0.287610731888 TCL: atom 1: phi = 0.459750665103 TCL: Center of mass = 17.4186700484 -1.16413183553 0.287899614742 TCL: atom 1: phi = 0.460566050928 TCL: Center of mass = 17.4201381044 -1.16409254418 0.288187938983 TCL: atom 1: phi = 0.461096606024 TCL: Center of mass = 17.4216267021 -1.16401793474 0.288500682806 TCL: atom 1: phi = 0.461499771512 TCL: Center of mass = 17.4231161141 -1.16391870634 0.288806029741 TCL: atom 1: phi = 0.461687303323 TCL: Center of mass = 17.4246010308 -1.16382521282 0.28913183046 TCL: atom 1: phi = 0.461837255009 TCL: Center of mass = 17.426067517 -1.16373094675 0.289455919663 TCL: atom 1: phi = 0.461865115724 TCL: Center of mass = 17.4275215971 -1.16364148666 0.289825622015 TCL: atom 1: phi = 0.461914264928 TCL: Center of mass = 17.4289660869 -1.16355646954 0.290216655746 TCL: atom 1: phi = 0.46183699829 TCL: Center of mass = 17.4304066462 -1.16348932359 0.290647298141 TCL: atom 1: phi = 0.461805152247 TCL: Center of mass = 17.4318191316 -1.16343404086 0.291079769453 TCL: atom 1: phi = 0.461647818963 TCL: Center of mass = 17.4332274149 -1.16338881924 0.291537972971 TCL: atom 1: phi = 0.461464148038 TCL: Center of mass = 17.4346240061 -1.16336362322 0.292012780558 TCL: atom 1: phi = 0.461081862641 TCL: Center of mass = 17.4360015208 -1.16336769182 0.292539887169 TCL: atom 1: phi = 0.46067701829 TCL: Center of mass = 17.4373650936 -1.16340431849 0.293054937268 TCL: atom 1: phi = 0.460090841072 TCL: Center of mass = 17.4387404047 -1.1634827876 0.29356603148 TCL: atom 1: phi = 0.45952272853 TCL: Center of mass = 17.4401488609 -1.16358036931 0.294050171478 TCL: atom 1: phi = 0.458851098192 TCL: Center of mass = 17.4415576688 -1.16369840521 0.294518053504 TCL: atom 1: phi = 0.458212311082 TCL: Center of mass = 17.4429422502 -1.16385758977 0.294979067445 TCL: atom 1: phi = 0.457427796675 TCL: Center of mass = 17.4443319773 -1.16405322553 0.295431001916 TCL: atom 1: phi = 0.456601389682 TCL: Center of mass = 17.445690312 -1.1642577404 0.295896684878 TCL: atom 1: phi = 0.455615379604 TCL: Center of mass = 17.4470270126 -1.16447902359 0.296356481651 TCL: atom 1: phi = 0.454597619777 TCL: Center of mass = 17.4483108878 -1.16468567728 0.296816304654 TCL: atom 1: phi = 0.453402951 TCL: Center of mass = 17.4495918522 -1.16488690201 0.297265883521 TCL: atom 1: phi = 0.452204398238 TCL: Center of mass = 17.4508252472 -1.16506670448 0.297699469204 TCL: atom 1: phi = 0.450931307406 TCL: Center of mass = 17.4520420459 -1.16522313757 0.298072175594 TCL: atom 1: phi = 0.449729759253 TCL: Center of mass = 17.4532236674 -1.16538439158 0.298398631946 TCL: atom 1: phi = 0.448498042842 TCL: Center of mass = 17.4544151033 -1.16554830491 0.298685075075 TCL: atom 1: phi = 0.447446120135 TCL: Center of mass = 17.4555811695 -1.16570684599 0.298935812778 TCL: atom 1: phi = 0.446388811788 TCL: Center of mass = 17.4567491584 -1.1658823976 0.299158095597 TCL: atom 1: phi = 0.445439442786 TCL: Center of mass = 17.4579189545 -1.16606821318 0.299348766423 TCL: atom 1: phi = 0.444485842736 TCL: Center of mass = 17.4591002293 -1.1662838258 0.299540489705 TCL: atom 1: phi = 0.443714910215 TCL: Center of mass = 17.4602590205 -1.16653670206 0.299736894852 TCL: atom 1: phi = 0.442935044695 TCL: Center of mass = 17.4614192727 -1.16679101801 0.299934828136 TCL: atom 1: phi = 0.442308421998 TCL: Center of mass = 17.4625836973 -1.16704286362 0.300121121061 TCL: atom 1: phi = 0.441647737795 TCL: Center of mass = 17.4637443517 -1.16729820633 0.300319971244 TCL: atom 1: phi = 0.441136455694 TCL: Center of mass = 17.4649193476 -1.16754293058 0.300525226838 TCL: atom 1: phi = 0.440618042003 TCL: Center of mass = 17.4661423893 -1.16778286531 0.300733538471 TCL: atom 1: phi = 0.440289524733 TCL: Center of mass = 17.4673927666 -1.16802728697 0.300923942672 TCL: atom 1: phi = 0.440059713048 TCL: Center of mass = 17.4686696889 -1.16830473995 0.301132760846 TCL: atom 1: phi = 0.440018711509 TCL: Center of mass = 17.4699598162 -1.16862492872 0.301356456014 TCL: atom 1: phi = 0.439980221857 TCL: Center of mass = 17.471245619 -1.16896630784 0.301615341791 TCL: atom 1: phi = 0.440026197403 TCL: Center of mass = 17.4725272149 -1.1693319365 0.301910220339 TCL: atom 1: phi = 0.439987223793 TCL: Center of mass = 17.4738063483 -1.16968973581 0.302237999619 TCL: atom 1: phi = 0.439889109585 TCL: Center of mass = 17.475056451 -1.17001123317 0.30260644429 TCL: atom 1: phi = 0.439591391777 TCL: Center of mass = 17.4763139998 -1.17031469673 0.303028004058 TCL: atom 1: phi = 0.43929324275 TCL: Center of mass = 17.4775597385 -1.17058359757 0.303471437428 TCL: atom 1: phi = 0.438929196773 TCL: Center of mass = 17.4788195502 -1.17082700981 0.303901356933 TCL: atom 1: phi = 0.438629992959 TCL: Center of mass = 17.4800702432 -1.17105336889 0.304302233795 TCL: atom 1: phi = 0.438273767456 TCL: Center of mass = 17.481314852 -1.17130421781 0.304679772594 TCL: atom 1: phi = 0.438017440913 TCL: Center of mass = 17.4825257302 -1.17157655136 0.30500614703 TCL: atom 1: phi = 0.437762097946 TCL: Center of mass = 17.483699921 -1.17192153709 0.305326848715 TCL: atom 1: phi = 0.437578138139 TCL: Center of mass = 17.4848372032 -1.17233599574 0.30562095567 TCL: atom 1: phi = 0.437315509701 TCL: Center of mass = 17.4859543957 -1.17280039823 0.305920129246 TCL: atom 1: phi = 0.437097871909 TCL: Center of mass = 17.4870435568 -1.17328955894 0.306227704651 TCL: atom 1: phi = 0.436853884014 TCL: Center of mass = 17.4881345276 -1.17379612142 0.306534571252 TCL: atom 1: phi = 0.436671635388 TCL: Center of mass = 17.4892225246 -1.17428013474 0.306835066723 TCL: atom 1: phi = 0.436411080393 TCL: Center of mass = 17.4903461121 -1.17473923973 0.307143574898 TCL: atom 1: phi = 0.436229381153 TCL: Center of mass = 17.4914939725 -1.17517807994 0.307440647365 TCL: atom 1: phi = 0.436024721475 TCL: Center of mass = 17.4926769186 -1.1755844824 0.307715858859 TCL: atom 1: phi = 0.435919371325 TCL: Center of mass = 17.4938847317 -1.17600397295 0.30796950588 TCL: atom 1: phi = 0.435779184963 TCL: Center of mass = 17.4951113373 -1.17643953991 0.308204107991 TCL: atom 1: phi = 0.43578217773 TCL: Center of mass = 17.4963582332 -1.17685993551 0.308434681254 TCL: atom 1: phi = 0.435846553802 TCL: Center of mass = 17.4976046258 -1.17728052566 0.3086606751 TCL: atom 1: phi = 0.436059887821 TCL: Center of mass = 17.4988541805 -1.17767894343 0.308869379433 TCL: atom 1: phi = 0.436320364935 TCL: Center of mass = 17.5001381567 -1.17801842205 0.309120097948 TCL: atom 1: phi = 0.436800287115 TCL: Center of mass = 17.5014463079 -1.17829500712 0.309370363015 TCL: atom 1: phi = 0.43742983476 TCL: Center of mass = 17.5027871353 -1.17847774514 0.309653197873 TCL: atom 1: phi = 0.438306978645 TCL: Center of mass = 17.50413009 -1.1785663327 0.309952822351 TCL: atom 1: phi = 0.439395927332 TCL: Center of mass = 17.5055067518 -1.17858383968 0.310263408022 TCL: atom 1: phi = 0.440776395507 TCL: Center of mass = 17.5068903241 -1.17854794486 0.310558321829 TCL: atom 1: phi = 0.442327879674 TCL: Center of mass = 17.5082943945 -1.17849538132 0.310843955685 TCL: atom 1: phi = 0.444095116776 TCL: Center of mass = 17.5096846206 -1.17846478901 0.311113908584 TCL: atom 1: phi = 0.445869329243 TCL: Center of mass = 17.5110760965 -1.17843573205 0.311382979858 TCL: atom 1: phi = 0.447697673197 TCL: Center of mass = 17.5124333953 -1.17843011206 0.311651907493 TCL: atom 1: phi = 0.449367061685 TCL: Center of mass = 17.5137815123 -1.17843537802 0.311932220036 TCL: atom 1: phi = 0.450994118747 TCL: Center of mass = 17.5150982557 -1.17845663579 0.312212224412 TCL: atom 1: phi = 0.452389388183 TCL: Center of mass = 17.5164299628 -1.17847411516 0.312514099852 TCL: atom 1: phi = 0.453710343167 TCL: Center of mass = 17.5177656736 -1.17848462457 0.312838835077 TCL: atom 1: phi = 0.454803825356 TCL: Center of mass = 17.5191085751 -1.17848864517 0.313188279076 TCL: atom 1: phi = 0.455848428433 TCL: Center of mass = 17.5204410294 -1.17851430004 0.313567283663 TCL: atom 1: phi = 0.456588667082 TCL: Center of mass = 17.5217921831 -1.17857056716 0.313934360126 TCL: atom 1: phi = 0.457186209577 TCL: Center of mass = 17.5231244512 -1.17867713005 0.314326515462 TCL: atom 1: phi = 0.457352030294 TCL: Center of mass = 17.5244609362 -1.17883976575 0.314726977866 TCL: atom 1: phi = 0.457350364297 TCL: Center of mass = 17.5258055563 -1.1790411125 0.315115964107 TCL: atom 1: phi = 0.456878006854 TCL: Center of mass = 17.5271791164 -1.17926900597 0.315499038151 TCL: atom 1: phi = 0.456224177953 TCL: Center of mass = 17.5285407657 -1.17950391818 0.315885423266 TCL: atom 1: phi = 0.455193138361 TCL: Center of mass = 17.5299163373 -1.17974225299 0.316301127078 TCL: atom 1: phi = 0.454106466965 TCL: Center of mass = 17.5312879574 -1.17995476125 0.316730335096 TCL: atom 1: phi = 0.452752774376 TCL: Center of mass = 17.5326531381 -1.18016503097 0.317193114803 TCL: atom 1: phi = 0.45146260135 TCL: Center of mass = 17.5340005306 -1.18035158746 0.317690139156 TCL: atom 1: phi = 0.450013958502 TCL: Center of mass = 17.5353836379 -1.18050449739 0.318215287726 TCL: atom 1: phi = 0.448682572183 TCL: Center of mass = 17.5367597953 -1.18058790301 0.318743063758 TCL: atom 1: phi = 0.447242992423 TCL: Center of mass = 17.5381759396 -1.18065500483 0.319263141315 TCL: atom 1: phi = 0.446021733306 TCL: Center of mass = 17.5395931606 -1.18069978029 0.319769277344 TCL: atom 1: phi = 0.444756578091 TCL: Center of mass = 17.5410407538 -1.18073102043 0.320251770202 TCL: atom 1: phi = 0.443667462192 TCL: Center of mass = 17.5424858336 -1.18076147367 0.320690688386 TCL: atom 1: phi = 0.442579645178 WRITING COORDINATES TO DCD FILE AT STEP 12800 WRITING COORDINATES TO RESTART FILE AT STEP 12800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12800 FINISHED WRITING RESTART VELOCITIES TIMING: 12800 CPU: 683.915, 0.0540118/step Wall: 817.53, 0.0638358/step, 0.127672 hours remaining, 13612 kB of memory in use. ENERGY: 12800 3475.0259 2688.2036 393.2864 30.9311 -44692.4834 4011.5947 0.0000 0.0000 9835.6120 -24257.8297 291.5676 -24111.3227 -24114.8809 293.1672 1341.1548 -923.9878 125000.0000 -898.3056 -900.6658 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12800 TCL: Center of mass = 17.5439432196 -1.1807955655 0.32112974845 TCL: atom 1: phi = 0.441746476907 TCL: Center of mass = 17.5453853602 -1.18081019211 0.321546298065 TCL: atom 1: phi = 0.440911338208 TCL: Center of mass = 17.546823726 -1.18081889132 0.321967015074 TCL: atom 1: phi = 0.440280776738 TCL: Center of mass = 17.5482329545 -1.18082116025 0.322391977903 TCL: atom 1: phi = 0.439630514965 TCL: Center of mass = 17.549654956 -1.18081459885 0.32281117279 TCL: atom 1: phi = 0.439127403165 TCL: Center of mass = 17.551043022 -1.18077683347 0.323228144624 TCL: atom 1: phi = 0.438547657575 TCL: Center of mass = 17.5524508447 -1.1807437968 0.323658301818 TCL: atom 1: phi = 0.438056772107 TCL: Center of mass = 17.5538806009 -1.18072496457 0.324076915255 TCL: atom 1: phi = 0.437466155996 TCL: Center of mass = 17.5553432873 -1.18071373136 0.324483790346 TCL: atom 1: phi = 0.436906947794 TCL: Center of mass = 17.5568359327 -1.18071757951 0.324855293696 TCL: atom 1: phi = 0.436260854216 TCL: Center of mass = 17.5583548986 -1.18074554228 0.325250496541 TCL: atom 1: phi = 0.435741926202 TCL: Center of mass = 17.559877588 -1.18078384354 0.325638632145 TCL: atom 1: phi = 0.435272319053 TCL: Center of mass = 17.561383287 -1.18083645453 0.326051597851 TCL: atom 1: phi = 0.43498097151 TCL: Center of mass = 17.5628403554 -1.18089000183 0.32649867491 TCL: atom 1: phi = 0.43468561653 TCL: Center of mass = 17.5642715246 -1.18092989391 0.3269997306 TCL: atom 1: phi = 0.434586589991 TCL: Center of mass = 17.5656698631 -1.18094953519 0.327519432469 TCL: atom 1: phi = 0.434396640987 TCL: Center of mass = 17.5670719648 -1.18092351368 0.328069759123 TCL: atom 1: phi = 0.434339464764 TCL: Center of mass = 17.5684762223 -1.18085405686 0.328632603006 TCL: atom 1: phi = 0.434163995236 TCL: Center of mass = 17.5699135243 -1.18073947919 0.329194388726 TCL: atom 1: phi = 0.43406127398 TCL: Center of mass = 17.5713779814 -1.18059812075 0.329727886963 TCL: atom 1: phi = 0.433825552237 TCL: Center of mass = 17.5728769826 -1.1804489152 0.330228353151 TCL: atom 1: phi = 0.433603453084 TCL: Center of mass = 17.574370022 -1.18031222446 0.330685699171 TCL: atom 1: phi = 0.433209142398 TCL: Center of mass = 17.5758787435 -1.1801836532 0.331126806126 TCL: atom 1: phi = 0.432832357326 TCL: Center of mass = 17.5773412835 -1.18008359687 0.331525861307 TCL: atom 1: phi = 0.432303973979 TCL: Center of mass = 17.5787826247 -1.17999953106 0.331924728303 TCL: atom 1: phi = 0.431773921593 TCL: Center of mass = 17.5801936545 -1.17993461451 0.332313135112 TCL: atom 1: phi = 0.431083475988 TCL: Center of mass = 17.581599083 -1.17986938147 0.332709797619 TCL: atom 1: phi = 0.430363041609 TCL: Center of mass = 17.5829897409 -1.17976898346 0.333099038226 TCL: atom 1: phi = 0.429471999542 TCL: Center of mass = 17.5844344545 -1.17966213208 0.333493270391 TCL: atom 1: phi = 0.428505923622 TCL: Center of mass = 17.5858917423 -1.17953663882 0.333859495614 TCL: atom 1: phi = 0.42733668868 TCL: Center of mass = 17.5873925656 -1.17940103123 0.33420400906 TCL: atom 1: phi = 0.426102159835 TCL: Center of mass = 17.5889156165 -1.17927328116 0.334522799785 TCL: atom 1: phi = 0.424749556801 TCL: Center of mass = 17.5904507413 -1.17919190707 0.334825907163 TCL: atom 1: phi = 0.423453428123 TCL: Center of mass = 17.5919704588 -1.17916107645 0.335125077183 TCL: atom 1: phi = 0.422168457834 TCL: Center of mass = 17.5934787529 -1.17918023662 0.335437138542 TCL: atom 1: phi = 0.421057928361 TCL: Center of mass = 17.5949537991 -1.1792375296 0.335776511928 TCL: atom 1: phi = 0.419995282603 TCL: Center of mass = 17.5964215881 -1.17931437808 0.33614259307 TCL: atom 1: phi = 0.419228713542 TCL: Center of mass = 17.5978719022 -1.17936478481 0.336537837956 TCL: atom 1: phi = 0.418564820532 TCL: Center of mass = 17.5993459557 -1.17938032002 0.336958514926 TCL: atom 1: phi = 0.418138843959 TCL: Center of mass = 17.6008222615 -1.17934038632 0.337424509444 TCL: atom 1: phi = 0.417771305698 TCL: Center of mass = 17.6023358393 -1.1792831327 0.337929184371 TCL: atom 1: phi = 0.417616523975 TCL: Center of mass = 17.6038661564 -1.17921029896 0.338427043005 TCL: atom 1: phi = 0.417491864317 TCL: Center of mass = 17.6054297734 -1.17914104658 0.338946989333 TCL: atom 1: phi = 0.417578621357 TCL: Center of mass = 17.6069992305 -1.17908421884 0.339423317584 TCL: atom 1: phi = 0.417711653106 TCL: Center of mass = 17.6085678753 -1.17905482209 0.339895779362 TCL: atom 1: phi = 0.417999083179 TCL: Center of mass = 17.6100990393 -1.17902414554 0.340356740212 TCL: atom 1: phi = 0.418179050003 TCL: Center of mass = 17.6116103898 -1.1790169083 0.340821491883 TCL: atom 1: phi = 0.418450584984 TCL: Center of mass = 17.6130900055 -1.17899286119 0.34126595371 TCL: atom 1: phi = 0.418613798759 TCL: Center of mass = 17.6145635882 -1.17896892876 0.341708677756 TCL: atom 1: phi = 0.418790194076 TCL: Center of mass = 17.6160063637 -1.17890757782 0.34213841992 TCL: atom 1: phi = 0.418692198065 TCL: Center of mass = 17.6174436675 -1.17881715189 0.342562542896 TCL: atom 1: phi = 0.418511765897 TCL: Center of mass = 17.6188704922 -1.17870163293 0.342966640374 TCL: atom 1: phi = 0.418057900492 TCL: Center of mass = 17.6203027507 -1.17855872687 0.343346343894 TCL: atom 1: phi = 0.417538187795 TCL: Center of mass = 17.621717687 -1.17843960151 0.343687721952 TCL: atom 1: phi = 0.416848337206 TCL: Center of mass = 17.6231233078 -1.17835187067 0.34397874371 TCL: atom 1: phi = 0.416227249767 TCL: Center of mass = 17.6245117614 -1.17830919929 0.344201202228 TCL: atom 1: phi = 0.415476974427 TCL: Center of mass = 17.6258932851 -1.17830194672 0.344399582471 TCL: atom 1: phi = 0.414831807877 TCL: Center of mass = 17.6272784844 -1.17831750326 0.344583502234 TCL: atom 1: phi = 0.414155668702 TCL: Center of mass = 17.6286733858 -1.17835200192 0.344764165137 TCL: atom 1: phi = 0.413532018897 TCL: Center of mass = 17.6300667317 -1.17839128799 0.344964955059 TCL: atom 1: phi = 0.412788057852 TCL: Center of mass = 17.6314602028 -1.17842167202 0.34520087128 TCL: atom 1: phi = 0.412091081317 TCL: Center of mass = 17.6328779603 -1.17842325274 0.345454901186 TCL: atom 1: phi = 0.411252896062 TCL: Center of mass = 17.6343283595 -1.17839230956 0.345753148255 TCL: atom 1: phi = 0.410472881934 TCL: Center of mass = 17.6357994737 -1.17832327054 0.346062595035 TCL: atom 1: phi = 0.409735607338 TCL: Center of mass = 17.6372919164 -1.17824449919 0.346382420478 TCL: atom 1: phi = 0.409134754265 TCL: Center of mass = 17.6388158462 -1.17820032368 0.346681545739 TCL: atom 1: phi = 0.408606144716 TCL: Center of mass = 17.6403713026 -1.17819305416 0.346962047939 TCL: atom 1: phi = 0.408254074622 TCL: Center of mass = 17.6419316592 -1.17822673366 0.347215859243 TCL: atom 1: phi = 0.407858324854 TCL: Center of mass = 17.6434996373 -1.17828429335 0.347471918198 TCL: atom 1: phi = 0.407598046375 TCL: Center of mass = 17.6450776632 -1.17835999288 0.347728539473 TCL: atom 1: phi = 0.40729630868 TCL: Center of mass = 17.6466460202 -1.17846478743 0.347993773577 TCL: atom 1: phi = 0.40704569769 TCL: Center of mass = 17.6482254757 -1.17856700896 0.348261320323 TCL: atom 1: phi = 0.406720562148 TCL: Center of mass = 17.6498243124 -1.17867405781 0.348556825446 TCL: atom 1: phi = 0.406568468818 TCL: Center of mass = 17.6514160502 -1.17877383363 0.348818401152 TCL: atom 1: phi = 0.406500713413 TCL: Center of mass = 17.6529988167 -1.17888790354 0.349075041312 TCL: atom 1: phi = 0.406696030341 TCL: Center of mass = 17.6545956837 -1.17901142219 0.349299156925 TCL: atom 1: phi = 0.407060329938 TCL: Center of mass = 17.6562198252 -1.17914791948 0.349495681812 TCL: atom 1: phi = 0.40775261671 TCL: Center of mass = 17.6578724214 -1.1792911896 0.34964539376 TCL: atom 1: phi = 0.408555526117 TCL: Center of mass = 17.6595321982 -1.17946772376 0.349778839217 TCL: atom 1: phi = 0.409626917446 TCL: Center of mass = 17.6611785416 -1.17965467202 0.349886041445 TCL: atom 1: phi = 0.410691299689 TCL: Center of mass = 17.6628193124 -1.17985738746 0.350006278986 TCL: atom 1: phi = 0.411841468918 TCL: Center of mass = 17.6644283489 -1.18006177274 0.350140516202 TCL: atom 1: phi = 0.412861115443 TCL: Center of mass = 17.6660036754 -1.18026229196 0.350304403471 TCL: atom 1: phi = 0.413895596283 TCL: Center of mass = 17.667554982 -1.18043162097 0.350503132164 TCL: atom 1: phi = 0.414746524973 TCL: Center of mass = 17.6691283389 -1.18056313818 0.350741735695 TCL: atom 1: phi = 0.415611909392 TCL: Center of mass = 17.6707287191 -1.18065027723 0.351006937452 TCL: atom 1: phi = 0.416338041929 TCL: Center of mass = 17.6723689828 -1.18071084481 0.351311742191 TCL: atom 1: phi = 0.417166592185 TCL: Center of mass = 17.6740441285 -1.18071619249 0.351612489884 TCL: atom 1: phi = 0.417827197305 TCL: Center of mass = 17.6757736087 -1.18072931047 0.351904484715 TCL: atom 1: phi = 0.418458036557 TCL: Center of mass = 17.6775510713 -1.18073288454 0.352180125345 TCL: atom 1: phi = 0.418793446808 TCL: Center of mass = 17.6793445117 -1.18075079508 0.352457706276 TCL: atom 1: phi = 0.419040637566 TCL: Center of mass = 17.6811434459 -1.1807723365 0.352728108665 TCL: atom 1: phi = 0.418938943244 TCL: Center of mass = 17.6829619092 -1.1808276937 0.352986077367 TCL: atom 1: phi = 0.418808007049 TCL: Center of mass = 17.6847877695 -1.18089205538 0.353236005778 TCL: atom 1: phi = 0.418440705149 TCL: Center of mass = 17.6866248265 -1.18096460709 0.353491029078 TCL: atom 1: phi = 0.418172281366 TCL: Center of mass = 17.6884702859 -1.18102504253 0.353725514467 TCL: atom 1: phi = 0.41779617455 TCL: Center of mass = 17.6903552121 -1.18109098007 0.353943012842 TCL: atom 1: phi = 0.417591625533 TCL: Center of mass = 17.6922882947 -1.1811090986 0.354152347574 TCL: atom 1: phi = 0.417382924835 TCL: Center of mass = 17.6942710809 -1.18112107804 0.354373333694 TCL: atom 1: phi = 0.41732673549 TCL: Center of mass = 17.696290033 -1.18109469098 0.354585127201 TCL: atom 1: phi = 0.417211216779 WRITING COORDINATES TO DCD FILE AT STEP 12900 WRITING COORDINATES TO RESTART FILE AT STEP 12900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12900 FINISHED WRITING RESTART VELOCITIES TIMING: 12900 CPU: 689.316, 0.0540118/step Wall: 823.922, 0.0639208/step, 0.126066 hours remaining, 13612 kB of memory in use. ENERGY: 12900 3439.3804 2439.8861 399.3755 35.5464 -44436.2608 4032.8995 0.0000 0.0000 9828.3333 -24260.8396 291.3518 -24113.5508 -24117.8872 293.6671 1737.2431 -610.9646 125000.0000 -832.1142 -826.2011 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12900 TCL: Center of mass = 17.6983410285 -1.18104321985 0.35478551748 TCL: atom 1: phi = 0.417196045999 TCL: Center of mass = 17.7003569162 -1.1809772378 0.35498573904 TCL: atom 1: phi = 0.417150042559 TCL: Center of mass = 17.7023529679 -1.18092465318 0.355176588623 TCL: atom 1: phi = 0.417242882025 TCL: Center of mass = 17.7043064771 -1.18086665648 0.355372313457 TCL: atom 1: phi = 0.417329562675 TCL: Center of mass = 17.7062329924 -1.18079409046 0.355604024678 TCL: atom 1: phi = 0.417626657245 TCL: Center of mass = 17.7081255147 -1.18069279427 0.355865907333 TCL: atom 1: phi = 0.418023989819 TCL: Center of mass = 17.7100025854 -1.18055866418 0.356186852606 TCL: atom 1: phi = 0.418716424625 TCL: Center of mass = 17.7118916954 -1.18034249644 0.356554490025 TCL: atom 1: phi = 0.419510550819 TCL: Center of mass = 17.7137995084 -1.18007734319 0.356978896344 TCL: atom 1: phi = 0.420501549085 TCL: Center of mass = 17.7157152907 -1.17976034987 0.357445219058 TCL: atom 1: phi = 0.421487854254 TCL: Center of mass = 17.7176406064 -1.17942015124 0.357945419988 TCL: atom 1: phi = 0.422486821202 TCL: Center of mass = 17.7195540241 -1.17905160176 0.35843644283 TCL: atom 1: phi = 0.423327388112 TCL: Center of mass = 17.7214296785 -1.17872624048 0.358945484431 TCL: atom 1: phi = 0.42411205237 TCL: Center of mass = 17.7232661298 -1.17843623403 0.359440786307 TCL: atom 1: phi = 0.424720042235 TCL: Center of mass = 17.7250909244 -1.17820076514 0.359942433527 TCL: atom 1: phi = 0.425250367189 TCL: Center of mass = 17.7268958123 -1.17798983463 0.360437320388 TCL: atom 1: phi = 0.42564821387 TCL: Center of mass = 17.7286982687 -1.17781203113 0.360936882798 TCL: atom 1: phi = 0.426110229248 TCL: Center of mass = 17.7305280841 -1.17763954178 0.361422503639 TCL: atom 1: phi = 0.426512924499 TCL: Center of mass = 17.7323921087 -1.17747921371 0.361904904618 TCL: atom 1: phi = 0.427022761238 TCL: Center of mass = 17.7342903913 -1.17733175092 0.362387556245 TCL: atom 1: phi = 0.427483664565 TCL: Center of mass = 17.7362234438 -1.17720504729 0.36286793646 TCL: atom 1: phi = 0.427916256783 TCL: Center of mass = 17.7381886276 -1.17707830828 0.363314660396 TCL: atom 1: phi = 0.42817709784 TCL: Center of mass = 17.740174508 -1.17700119976 0.363733373216 TCL: atom 1: phi = 0.428373495768 TCL: Center of mass = 17.7421603356 -1.1769565034 0.364101712152 TCL: atom 1: phi = 0.428378598701 TCL: Center of mass = 17.7441245917 -1.17692855898 0.364418331295 TCL: atom 1: phi = 0.428405321307 TCL: Center of mass = 17.7460525303 -1.1769139018 0.364694229087 TCL: atom 1: phi = 0.42841779833 TCL: Center of mass = 17.7479612293 -1.17689047896 0.364991795504 TCL: atom 1: phi = 0.428527224367 TCL: Center of mass = 17.7498680923 -1.17682461657 0.365293832115 TCL: atom 1: phi = 0.428705994745 TCL: Center of mass = 17.7517813675 -1.17671112323 0.3656081628 TCL: atom 1: phi = 0.429057565467 TCL: Center of mass = 17.7536878796 -1.17654136587 0.365965158216 TCL: atom 1: phi = 0.429427573773 TCL: Center of mass = 17.7555954572 -1.17633123326 0.366340614364 TCL: atom 1: phi = 0.429797392921 TCL: Center of mass = 17.7574775743 -1.17607380379 0.366739211553 TCL: atom 1: phi = 0.430020576055 TCL: Center of mass = 17.7593386423 -1.17579012941 0.367146729863 TCL: atom 1: phi = 0.430154051313 TCL: Center of mass = 17.7611713839 -1.17548738562 0.367540074818 TCL: atom 1: phi = 0.430198821861 TCL: Center of mass = 17.7629663668 -1.17517957717 0.367915825965 TCL: atom 1: phi = 0.430205449491 TCL: Center of mass = 17.7647429565 -1.17483658265 0.36826398675 TCL: atom 1: phi = 0.430072579781 TCL: Center of mass = 17.7665070429 -1.17448059583 0.36859582415 TCL: atom 1: phi = 0.430024067262 TCL: Center of mass = 17.768258705 -1.17412008074 0.36891142035 TCL: atom 1: phi = 0.430050246196 TCL: Center of mass = 17.7700200122 -1.17378260944 0.369242292323 TCL: atom 1: phi = 0.430260295125 TCL: Center of mass = 17.7717871421 -1.17345555177 0.369575120746 TCL: atom 1: phi = 0.43053689691 TCL: Center of mass = 17.7736012885 -1.1731611016 0.369939573954 TCL: atom 1: phi = 0.430942017235 TCL: Center of mass = 17.7754266363 -1.17288425116 0.370319470409 TCL: atom 1: phi = 0.431340439129 TCL: Center of mass = 17.7772758396 -1.17263953585 0.370689815832 TCL: atom 1: phi = 0.431800699386 TCL: Center of mass = 17.7791429801 -1.17243756757 0.371026909919 TCL: atom 1: phi = 0.432131371842 TCL: Center of mass = 17.7810375115 -1.17227633394 0.37136041256 TCL: atom 1: phi = 0.432504442081 TCL: Center of mass = 17.7829401692 -1.17215372561 0.371660329398 TCL: atom 1: phi = 0.432878671187 TCL: Center of mass = 17.784861991 -1.1720517197 0.371924916886 TCL: atom 1: phi = 0.433421237114 TCL: Center of mass = 17.7867749533 -1.17195918691 0.372140433296 TCL: atom 1: phi = 0.434116267182 TCL: Center of mass = 17.7886714969 -1.1718645781 0.372346535308 TCL: atom 1: phi = 0.435087774484 TCL: Center of mass = 17.790546438 -1.17174841418 0.372551443259 TCL: atom 1: phi = 0.436150415704 TCL: Center of mass = 17.7923922395 -1.17162282104 0.372766685111 TCL: atom 1: phi = 0.437323367793 TCL: Center of mass = 17.7942171446 -1.17147125517 0.372996999316 TCL: atom 1: phi = 0.43834436295 TCL: Center of mass = 17.796031538 -1.17129629978 0.373218023911 TCL: atom 1: phi = 0.439270648135 TCL: Center of mass = 17.7978355449 -1.17108387249 0.373429623482 TCL: atom 1: phi = 0.439908761887 TCL: Center of mass = 17.79965471 -1.17085736627 0.373653641679 TCL: atom 1: phi = 0.440431978822 TCL: Center of mass = 17.8014551771 -1.17060173077 0.373882583053 TCL: atom 1: phi = 0.440733786439 TCL: Center of mass = 17.8032662318 -1.17033498477 0.374107271747 TCL: atom 1: phi = 0.441006003118 TCL: Center of mass = 17.8050595014 -1.17003324609 0.374325527751 TCL: atom 1: phi = 0.441175655957 TCL: Center of mass = 17.8068388678 -1.16974001135 0.37454104546 TCL: atom 1: phi = 0.441429613531 TCL: Center of mass = 17.8085742136 -1.16942706406 0.374749102817 TCL: atom 1: phi = 0.441600052977 TCL: Center of mass = 17.8103015334 -1.16914496175 0.374987268407 TCL: atom 1: phi = 0.441854057488 TCL: Center of mass = 17.8119816984 -1.16888045792 0.375251995032 TCL: atom 1: phi = 0.44198265399 TCL: Center of mass = 17.8136615049 -1.16863413804 0.375554285735 TCL: atom 1: phi = 0.442085230698 TCL: Center of mass = 17.815334274 -1.16840159626 0.375864689972 TCL: atom 1: phi = 0.442017225996 TCL: Center of mass = 17.8170358117 -1.16819544743 0.376193404264 TCL: atom 1: phi = 0.441964697565 TCL: Center of mass = 17.8187451963 -1.16798492106 0.376508456604 TCL: atom 1: phi = 0.441878637654 TCL: Center of mass = 17.8205205127 -1.16777443275 0.376814293505 TCL: atom 1: phi = 0.441967557815 TCL: Center of mass = 17.8222691062 -1.1675461232 0.37709998959 TCL: atom 1: phi = 0.442112475581 TCL: Center of mass = 17.8240174981 -1.1673111001 0.377385415661 TCL: atom 1: phi = 0.442579136968 TCL: Center of mass = 17.8257445485 -1.16706808238 0.377696246883 TCL: atom 1: phi = 0.443114152934 TCL: Center of mass = 17.8274442026 -1.1668590941 0.378010088834 TCL: atom 1: phi = 0.44387428657 TCL: Center of mass = 17.829090802 -1.16666461543 0.378355815041 TCL: atom 1: phi = 0.444612998891 TCL: Center of mass = 17.8306977571 -1.16647494472 0.378733059156 TCL: atom 1: phi = 0.445396511931 TCL: Center of mass = 17.8322798552 -1.16626072221 0.379118834346 TCL: atom 1: phi = 0.445977252031 TCL: Center of mass = 17.8338601056 -1.16601022012 0.379519122786 TCL: atom 1: phi = 0.446450867442 TCL: Center of mass = 17.8354463218 -1.16570904014 0.379932259165 TCL: atom 1: phi = 0.446630628721 TCL: Center of mass = 17.8370715593 -1.16536467397 0.380348473903 TCL: atom 1: phi = 0.44677000815 TCL: Center of mass = 17.8387346539 -1.16496572016 0.380760743198 TCL: atom 1: phi = 0.446718621594 TCL: Center of mass = 17.8404185459 -1.16454516682 0.381159044778 TCL: atom 1: phi = 0.446724574764 TCL: Center of mass = 17.8421062949 -1.1641180589 0.38153925695 TCL: atom 1: phi = 0.446600803201 TCL: Center of mass = 17.8438113423 -1.16371012468 0.381904812116 TCL: atom 1: phi = 0.446557432011 TCL: Center of mass = 17.8454981333 -1.16331469065 0.38222167384 TCL: atom 1: phi = 0.446381765669 TCL: Center of mass = 17.8471473676 -1.16296693836 0.382515680752 TCL: atom 1: phi = 0.446115255928 TCL: Center of mass = 17.8487578633 -1.16263494355 0.382779979138 TCL: atom 1: phi = 0.445638383624 TCL: Center of mass = 17.8503793979 -1.16232499484 0.383046231639 TCL: atom 1: phi = 0.445121021889 TCL: Center of mass = 17.8520100678 -1.1619924926 0.383304040472 TCL: atom 1: phi = 0.44441581615 TCL: Center of mass = 17.85364823 -1.16165586936 0.383562739615 TCL: atom 1: phi = 0.443741131182 TCL: Center of mass = 17.8552820794 -1.16130199836 0.383798520998 TCL: atom 1: phi = 0.442999895186 TCL: Center of mass = 17.8569060927 -1.16096224205 0.384039324495 TCL: atom 1: phi = 0.442450707539 TCL: Center of mass = 17.8585086157 -1.16064692818 0.384286385881 TCL: atom 1: phi = 0.441971803316 TCL: Center of mass = 17.8600894363 -1.16036486765 0.384529373829 TCL: atom 1: phi = 0.441652743343 TCL: Center of mass = 17.8616115624 -1.16011702018 0.384770331081 TCL: atom 1: phi = 0.441281131695 TCL: Center of mass = 17.8631065638 -1.15992345445 0.385021352521 TCL: atom 1: phi = 0.440956997488 TCL: Center of mass = 17.864558164 -1.15976177153 0.385292825278 TCL: atom 1: phi = 0.440525557194 TCL: Center of mass = 17.8659536936 -1.15962253074 0.385601429655 TCL: atom 1: phi = 0.440107600966 TCL: Center of mass = 17.8673209835 -1.15947854139 0.385964669964 TCL: atom 1: phi = 0.439546210405 TCL: Center of mass = 17.8686702193 -1.15931579381 0.386358888515 TCL: atom 1: phi = 0.43896052092 TCL: Center of mass = 17.8700139739 -1.15911967479 0.386778736531 TCL: atom 1: phi = 0.438244638689 TCL: Center of mass = 17.8713713968 -1.15890501515 0.387225367925 TCL: atom 1: phi = 0.437626392373 TCL: Center of mass = 17.8727490604 -1.15867479628 0.387701710987 TCL: atom 1: phi = 0.436928282902 WRITING COORDINATES TO DCD FILE AT STEP 13000 WRITING COORDINATES TO RESTART FILE AT STEP 13000 FINISHED WRITING RESTART COORDINATES TIMING: 13000 CPU: 694.706, 0.0539018/step Wall: 830.311, 0.0638856/step, 0.124222 hours remaining, 13612 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 13000 3395.8259 2515.5222 394.4695 36.3532 -44770.7519 4131.7057 0.0000 0.0000 9989.9949 -24306.8806 296.1441 -24162.3273 -24156.7951 293.4261 1806.1597 -617.0466 125000.0000 -733.2481 -732.0655 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13000 WRITING VELOCITIES TO RESTART FILE AT STEP 13000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 17.8741542712 -1.15844614467 0.388199254701 TCL: atom 1: phi = 0.436326784608 TCL: Center of mass = 17.8755771551 -1.15825288517 0.388698236369 TCL: atom 1: phi = 0.435614247228 TCL: Center of mass = 17.8770164848 -1.15811634102 0.389193917482 TCL: atom 1: phi = 0.434872392473 TCL: Center of mass = 17.8784488848 -1.15804866621 0.389680272305 TCL: atom 1: phi = 0.433942809237 TCL: Center of mass = 17.8798860403 -1.15801163349 0.390134039548 TCL: atom 1: phi = 0.432938373749 TCL: Center of mass = 17.8813248877 -1.1580061235 0.390576700466 TCL: atom 1: phi = 0.431723515685 TCL: Center of mass = 17.8828078116 -1.1580334369 0.391004422632 TCL: atom 1: phi = 0.430538982573 TCL: Center of mass = 17.8843021799 -1.15806621859 0.391425830492 TCL: atom 1: phi = 0.429266405524 TCL: Center of mass = 17.8858585528 -1.15810080077 0.391847058145 TCL: atom 1: phi = 0.428147483328 TCL: Center of mass = 17.8874303306 -1.15815100166 0.392253697058 TCL: atom 1: phi = 0.427032398578 TCL: Center of mass = 17.8890354077 -1.1582335713 0.392633415879 TCL: atom 1: phi = 0.426143345458 TCL: Center of mass = 17.890645094 -1.1583319921 0.392983769635 TCL: atom 1: phi = 0.425338854196 TCL: Center of mass = 17.8922821894 -1.15845716869 0.393295546244 TCL: atom 1: phi = 0.424720794116 TCL: Center of mass = 17.8939100114 -1.1586079216 0.393540695239 TCL: atom 1: phi = 0.424108482127 TCL: Center of mass = 17.8955343722 -1.15877560385 0.393761087616 TCL: atom 1: phi = 0.423608168924 TCL: Center of mass = 17.8971419796 -1.15894918921 0.393944271425 TCL: atom 1: phi = 0.423086704032 TCL: Center of mass = 17.8987315025 -1.15912478797 0.394112030534 TCL: atom 1: phi = 0.422675523887 TCL: Center of mass = 17.9002999971 -1.15927962949 0.394286930963 TCL: atom 1: phi = 0.422220510788 TCL: Center of mass = 17.9018462078 -1.15941157826 0.394486837121 TCL: atom 1: phi = 0.421947290016 TCL: Center of mass = 17.9033532041 -1.15952861552 0.394725776235 TCL: atom 1: phi = 0.421654795049 TCL: Center of mass = 17.9048572796 -1.15962260606 0.394985832631 TCL: atom 1: phi = 0.421549531292 TCL: Center of mass = 17.906366689 -1.15969176254 0.395260206951 TCL: atom 1: phi = 0.421531961054 TCL: Center of mass = 17.9078969343 -1.15976265227 0.395547080293 TCL: atom 1: phi = 0.421619163388 TCL: Center of mass = 17.9094091192 -1.1598173193 0.395823512498 TCL: atom 1: phi = 0.42162266184 TCL: Center of mass = 17.9109354453 -1.15987923652 0.396090993171 TCL: atom 1: phi = 0.421650956786 TCL: Center of mass = 17.9124581011 -1.15991944088 0.396342316657 TCL: atom 1: phi = 0.421557057018 TCL: Center of mass = 17.9139669016 -1.15997338766 0.396602879234 TCL: atom 1: phi = 0.421470788462 TCL: Center of mass = 17.9154476385 -1.16002670234 0.39689449664 TCL: atom 1: phi = 0.421320117971 TCL: Center of mass = 17.9169216838 -1.16008264263 0.397225041503 TCL: atom 1: phi = 0.421263956972 TCL: Center of mass = 17.9183598255 -1.16015000579 0.397586739006 TCL: atom 1: phi = 0.421211607932 TCL: Center of mass = 17.919802006 -1.16023873942 0.397981647763 TCL: atom 1: phi = 0.421290663671 TCL: Center of mass = 17.9212629777 -1.16035315443 0.398405116093 TCL: atom 1: phi = 0.421439661826 TCL: Center of mass = 17.9227496223 -1.16048142829 0.398846918154 TCL: atom 1: phi = 0.421679932063 TCL: Center of mass = 17.9242731926 -1.16061288889 0.399269704302 TCL: atom 1: phi = 0.421867648863 TCL: Center of mass = 17.9258411002 -1.16077044176 0.399671840908 TCL: atom 1: phi = 0.422063126023 TCL: Center of mass = 17.9274253757 -1.16094285792 0.400039354544 TCL: atom 1: phi = 0.422090892471 TCL: Center of mass = 17.9290302249 -1.16113248064 0.400383891048 TCL: atom 1: phi = 0.422071879703 TCL: Center of mass = 17.9306377523 -1.16132103729 0.400689361217 TCL: atom 1: phi = 0.421917198229 TCL: Center of mass = 17.9322247889 -1.1615010256 0.40098930446 TCL: atom 1: phi = 0.421762536815 TCL: Center of mass = 17.9337808306 -1.16166218196 0.401312206427 TCL: atom 1: phi = 0.421583582466 TCL: Center of mass = 17.9353307031 -1.16182787596 0.401662946178 TCL: atom 1: phi = 0.421411267275 TCL: Center of mass = 17.9368586903 -1.16198159782 0.402036791278 TCL: atom 1: phi = 0.421141494213 TCL: Center of mass = 17.9383910754 -1.16213451901 0.402449720865 TCL: atom 1: phi = 0.420903104592 TCL: Center of mass = 17.9399060682 -1.16225337154 0.402882056097 TCL: atom 1: phi = 0.420574111048 TCL: Center of mass = 17.9414357403 -1.16238986187 0.403321829655 TCL: atom 1: phi = 0.420248994163 TCL: Center of mass = 17.9429922818 -1.1624955088 0.403762579618 TCL: atom 1: phi = 0.419778404942 TCL: Center of mass = 17.9445575949 -1.16259248182 0.404189638392 TCL: atom 1: phi = 0.419387897521 TCL: Center of mass = 17.9461100501 -1.16265261873 0.404603203722 TCL: atom 1: phi = 0.418992101307 TCL: Center of mass = 17.9476342092 -1.1627127467 0.405018979676 TCL: atom 1: phi = 0.418771858784 TCL: Center of mass = 17.9491150444 -1.16276074219 0.405403915018 TCL: atom 1: phi = 0.418625300462 TCL: Center of mass = 17.9505766058 -1.16282780728 0.405773932906 TCL: atom 1: phi = 0.418702428975 TCL: Center of mass = 17.9520021231 -1.16288928277 0.406158454321 TCL: atom 1: phi = 0.418894558196 TCL: Center of mass = 17.9534210391 -1.1629553746 0.406555251353 TCL: atom 1: phi = 0.419300827981 TCL: Center of mass = 17.9548212713 -1.16301353145 0.406952474533 TCL: atom 1: phi = 0.419774091185 TCL: Center of mass = 17.9562416428 -1.16308371037 0.407346034308 TCL: atom 1: phi = 0.420377821758 TCL: Center of mass = 17.9576739411 -1.16313139064 0.407725385944 TCL: atom 1: phi = 0.420864183146 TCL: Center of mass = 17.95913682 -1.16317682596 0.408083937728 TCL: atom 1: phi = 0.421357418156 TCL: Center of mass = 17.9605866531 -1.16319383341 0.408456876182 TCL: atom 1: phi = 0.421709945851 TCL: Center of mass = 17.9620305242 -1.16319255995 0.408850046161 TCL: atom 1: phi = 0.422015829051 TCL: Center of mass = 17.9634416034 -1.1631478354 0.409243742834 TCL: atom 1: phi = 0.42206309622 TCL: Center of mass = 17.9648344438 -1.16307430837 0.409628744714 TCL: atom 1: phi = 0.42205763995 TCL: Center of mass = 17.9662070918 -1.16295025146 0.410024161498 TCL: atom 1: phi = 0.421821038804 TCL: Center of mass = 17.9675604841 -1.16281559165 0.410448330615 TCL: atom 1: phi = 0.42151774838 TCL: Center of mass = 17.9689190262 -1.16262408762 0.410865557664 TCL: atom 1: phi = 0.420970929643 TCL: Center of mass = 17.9703101114 -1.16241440091 0.411300522087 TCL: atom 1: phi = 0.420364864678 TCL: Center of mass = 17.9717231817 -1.16216625779 0.411747990119 TCL: atom 1: phi = 0.419542395422 TCL: Center of mass = 17.9731846632 -1.1618861765 0.412219592065 TCL: atom 1: phi = 0.418737771674 TCL: Center of mass = 17.9746438801 -1.16156048958 0.41267847995 TCL: atom 1: phi = 0.417922770474 TCL: Center of mass = 17.976119822 -1.16122054384 0.413140037054 TCL: atom 1: phi = 0.417264296986 TCL: Center of mass = 17.9775569456 -1.16087387671 0.413561282416 TCL: atom 1: phi = 0.416665781816 TCL: Center of mass = 17.978969228 -1.16055048136 0.413979857906 TCL: atom 1: phi = 0.416239695788 TCL: Center of mass = 17.9803512822 -1.16023250587 0.414350313627 TCL: atom 1: phi = 0.415819748815 TCL: Center of mass = 17.9817067378 -1.15993430713 0.414683329914 TCL: atom 1: phi = 0.415508577048 TCL: Center of mass = 17.9830474126 -1.15963775137 0.414949179272 TCL: atom 1: phi = 0.415133393954 TCL: Center of mass = 17.9844035266 -1.15937769785 0.415196147139 TCL: atom 1: phi = 0.414835889272 TCL: Center of mass = 17.9857677867 -1.15912913557 0.415401743627 TCL: atom 1: phi = 0.414433766571 TCL: Center of mass = 17.9871607648 -1.15889433307 0.415583223936 TCL: atom 1: phi = 0.414021410716 TCL: Center of mass = 17.9885500051 -1.15866611709 0.415734336018 TCL: atom 1: phi = 0.413522368712 TCL: Center of mass = 17.9899192763 -1.15847790289 0.415876787789 TCL: atom 1: phi = 0.413065847007 TCL: Center of mass = 17.9912513331 -1.1583352533 0.415993202288 TCL: atom 1: phi = 0.412520483564 TCL: Center of mass = 17.9925401003 -1.1582208742 0.416105662473 TCL: atom 1: phi = 0.41206872074 TCL: Center of mass = 17.993795752 -1.15811752388 0.416183719786 TCL: atom 1: phi = 0.411500154494 TCL: Center of mass = 17.995020253 -1.15802292905 0.416277943347 TCL: atom 1: phi = 0.410914506769 TCL: Center of mass = 17.996226089 -1.15792360814 0.41636335672 TCL: atom 1: phi = 0.410147578353 TCL: Center of mass = 17.9974432517 -1.15781488588 0.416483461533 TCL: atom 1: phi = 0.409357815756 TCL: Center of mass = 17.99867707 -1.15766376725 0.416633779758 TCL: atom 1: phi = 0.408438872985 TCL: Center of mass = 17.9999204678 -1.15746535935 0.416838462836 TCL: atom 1: phi = 0.40758420479 TCL: Center of mass = 18.0011568679 -1.15723445836 0.417077088446 TCL: atom 1: phi = 0.40667440644 TCL: Center of mass = 18.0024020455 -1.15695892582 0.417365188927 TCL: atom 1: phi = 0.405933290584 TCL: Center of mass = 18.0036183671 -1.15664730774 0.4176935947 TCL: atom 1: phi = 0.405176392287 TCL: Center of mass = 18.0048301737 -1.1563473457 0.418075253333 TCL: atom 1: phi = 0.404615067331 TCL: Center of mass = 18.0060215997 -1.15601752277 0.418471751137 TCL: atom 1: phi = 0.404075429439 TCL: Center of mass = 18.0072011867 -1.15565481025 0.41886634935 TCL: atom 1: phi = 0.403631601728 TCL: Center of mass = 18.0084020503 -1.15527689254 0.419242276861 TCL: atom 1: phi = 0.403183399304 TCL: Center of mass = 18.0096152049 -1.15490367516 0.419617547119 TCL: atom 1: phi = 0.402918275893 TCL: Center of mass = 18.0108299696 -1.15452239019 0.41998495517 TCL: atom 1: phi = 0.402664930398 TCL: Center of mass = 18.0120670438 -1.15414847873 0.420384933304 TCL: atom 1: phi = 0.402596430729 TCL: Center of mass = 18.013330106 -1.15376172092 0.420824071276 TCL: atom 1: phi = 0.402487548387 TCL: Center of mass = 18.0145945314 -1.1534008213 0.421307800979 TCL: atom 1: phi = 0.40250836797 TCL: Center of mass = 18.0158576281 -1.15308846315 0.421783433008 TCL: atom 1: phi = 0.402468771774 WRITING COORDINATES TO DCD FILE AT STEP 13100 WRITING COORDINATES TO RESTART FILE AT STEP 13100 FINISHED WRITING RESTART COORDINATES TIMING: 13100 CPU: 700.103, 0.0539618/step Wall: 836.678, 0.0636671/step, 0.122029 hours remaining, 13612 kB of memory in use. ENERGY: 13100 3380.6803 2525.9048 396.2346 31.8236 -44570.4416 3989.5659 0.0000 0.0000 9984.4523 -24261.7802 295.9798 -24115.5643 -24116.4750 293.9140 1841.3790 -607.4997 125000.0000 -641.5851 -642.5104 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13100 WRITING VELOCITIES TO RESTART FILE AT STEP 13100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 18.0171272822 -1.1528455528 0.422262774355 TCL: atom 1: phi = 0.402469709597 TCL: Center of mass = 18.0183961511 -1.15264803409 0.422708256848 TCL: atom 1: phi = 0.402356390721 TCL: Center of mass = 18.0196674956 -1.15249671643 0.423132909977 TCL: atom 1: phi = 0.402262134435 TCL: Center of mass = 18.020949985 -1.1523736183 0.423504487366 TCL: atom 1: phi = 0.402024225118 TCL: Center of mass = 18.022256979 -1.15227171077 0.42387158031 TCL: atom 1: phi = 0.401760459507 TCL: Center of mass = 18.0235607106 -1.15218207332 0.424200283721 TCL: atom 1: phi = 0.401404612682 TCL: Center of mass = 18.0248827625 -1.15211558494 0.424520840619 TCL: atom 1: phi = 0.401070531682 TCL: Center of mass = 18.0261817266 -1.15205546064 0.424836778646 TCL: atom 1: phi = 0.40062904711 TCL: Center of mass = 18.0275031646 -1.15200870574 0.425195074289 TCL: atom 1: phi = 0.400188713383 TCL: Center of mass = 18.0288166634 -1.15197499559 0.425564528254 TCL: atom 1: phi = 0.399687744067 TCL: Center of mass = 18.030160523 -1.15197251753 0.425968386546 TCL: atom 1: phi = 0.399216346089 TCL: Center of mass = 18.0315268281 -1.15196869997 0.426350489498 TCL: atom 1: phi = 0.398678774575 TCL: Center of mass = 18.0329028033 -1.15196612926 0.4267233267 TCL: atom 1: phi = 0.398232139616 TCL: Center of mass = 18.0342871053 -1.15195091962 0.427032319641 TCL: atom 1: phi = 0.397805945792 TCL: Center of mass = 18.0357077195 -1.15191782352 0.427300253408 TCL: atom 1: phi = 0.397526304834 TCL: Center of mass = 18.0371452045 -1.15186524736 0.427513007862 TCL: atom 1: phi = 0.397360580609 TCL: Center of mass = 18.0386118345 -1.1517906185 0.427703182886 TCL: atom 1: phi = 0.397460815877 TCL: Center of mass = 18.0400789244 -1.15167849577 0.427858443769 TCL: atom 1: phi = 0.397656599804 TCL: Center of mass = 18.0415604337 -1.15158117156 0.428050973226 TCL: atom 1: phi = 0.3981174653 TCL: Center of mass = 18.0430324303 -1.15148312081 0.428260261559 TCL: atom 1: phi = 0.398680341106 TCL: Center of mass = 18.0445091898 -1.15142879438 0.428484133101 TCL: atom 1: phi = 0.399386130671 TCL: Center of mass = 18.0459766275 -1.15141395814 0.428687655064 TCL: atom 1: phi = 0.400015380676 TCL: Center of mass = 18.0474467517 -1.15143836089 0.428881932945 TCL: atom 1: phi = 0.400673731264 TCL: Center of mass = 18.0489367341 -1.15147414414 0.429026674566 TCL: atom 1: phi = 0.401240438665 TCL: Center of mass = 18.0504389906 -1.15153907126 0.429123374089 TCL: atom 1: phi = 0.401799400633 TCL: Center of mass = 18.0519517032 -1.15160610464 0.429164254085 TCL: atom 1: phi = 0.402276719588 TCL: Center of mass = 18.0534753887 -1.15169007421 0.429172712947 TCL: atom 1: phi = 0.402832011657 TCL: Center of mass = 18.0549597618 -1.15177307032 0.429161302728 TCL: atom 1: phi = 0.40337563751 TCL: Center of mass = 18.0564358938 -1.15189369761 0.429146155945 TCL: atom 1: phi = 0.404059462196 TCL: Center of mass = 18.0578962506 -1.15203261804 0.429153167232 TCL: atom 1: phi = 0.404749744237 TCL: Center of mass = 18.0593440617 -1.15221005802 0.429208587442 TCL: atom 1: phi = 0.405522093659 TCL: Center of mass = 18.060789087 -1.15240450326 0.429291181244 TCL: atom 1: phi = 0.406190862974 TCL: Center of mass = 18.0622631572 -1.15263099925 0.429399633195 TCL: atom 1: phi = 0.406853620425 TCL: Center of mass = 18.0637778336 -1.15283539841 0.429514458547 TCL: atom 1: phi = 0.407430075278 TCL: Center of mass = 18.0653462815 -1.15303405485 0.429649851055 TCL: atom 1: phi = 0.408083009418 TCL: Center of mass = 18.066949868 -1.15320329375 0.429779425711 TCL: atom 1: phi = 0.408728953766 TCL: Center of mass = 18.0685759033 -1.15334445609 0.429909274265 TCL: atom 1: phi = 0.409611398335 TCL: Center of mass = 18.0702392893 -1.15342507993 0.430028897035 TCL: atom 1: phi = 0.410563169126 TCL: Center of mass = 18.0719389117 -1.15349737433 0.430135699212 TCL: atom 1: phi = 0.411743376612 TCL: Center of mass = 18.0736499282 -1.15358230986 0.430275595505 TCL: atom 1: phi = 0.412922139134 TCL: Center of mass = 18.0753767991 -1.15367705394 0.430427339613 TCL: atom 1: phi = 0.414140224577 TCL: Center of mass = 18.0771299214 -1.15377129801 0.430603896094 TCL: atom 1: phi = 0.415269850701 TCL: Center of mass = 18.0788889921 -1.15386059887 0.430795242295 TCL: atom 1: phi = 0.416352693952 TCL: Center of mass = 18.0806569692 -1.15394997812 0.431003472367 TCL: atom 1: phi = 0.417251640138 TCL: Center of mass = 18.0824452811 -1.15404920815 0.431239348862 TCL: atom 1: phi = 0.418076852751 TCL: Center of mass = 18.0842096568 -1.15411063274 0.431471151135 TCL: atom 1: phi = 0.418691496583 TCL: Center of mass = 18.0859564553 -1.15418699192 0.431733428692 TCL: atom 1: phi = 0.419253893904 TCL: Center of mass = 18.0876658162 -1.15425944857 0.432002442296 TCL: atom 1: phi = 0.419662160185 TCL: Center of mass = 18.0893459964 -1.15436105022 0.432286775367 TCL: atom 1: phi = 0.420101516033 TCL: Center of mass = 18.0909697289 -1.15445652753 0.432580994915 TCL: atom 1: phi = 0.420410874592 TCL: Center of mass = 18.0925472047 -1.15457898062 0.4328892006 TCL: atom 1: phi = 0.420716519515 TCL: Center of mass = 18.0940816617 -1.15473529571 0.433208814479 TCL: atom 1: phi = 0.420844018878 TCL: Center of mass = 18.0956173288 -1.1548984699 0.433555466894 TCL: atom 1: phi = 0.420980373508 TCL: Center of mass = 18.097151171 -1.15503056422 0.433929433403 TCL: atom 1: phi = 0.420946490082 TCL: Center of mass = 18.0986974368 -1.15515286548 0.434334252688 TCL: atom 1: phi = 0.421030454652 TCL: Center of mass = 18.1002477944 -1.15522188661 0.434774479521 TCL: atom 1: phi = 0.421090416198 TCL: Center of mass = 18.1018175756 -1.1552740601 0.435263000737 TCL: atom 1: phi = 0.421392447276 TCL: Center of mass = 18.1033932155 -1.15528524554 0.43577589759 TCL: atom 1: phi = 0.421755218293 TCL: Center of mass = 18.1049875332 -1.15531367649 0.436318999927 TCL: atom 1: phi = 0.422408778179 TCL: Center of mass = 18.1065510207 -1.15533096912 0.436865579431 TCL: atom 1: phi = 0.423041164751 TCL: Center of mass = 18.1081177596 -1.15536954596 0.437422896783 TCL: atom 1: phi = 0.423837476773 TCL: Center of mass = 18.1096760009 -1.15540784328 0.437948932404 TCL: atom 1: phi = 0.424438211097 TCL: Center of mass = 18.1112558413 -1.15547098239 0.438463446779 TCL: atom 1: phi = 0.425033387805 TCL: Center of mass = 18.1128294369 -1.1554996861 0.438993547359 TCL: atom 1: phi = 0.42526537132 TCL: Center of mass = 18.1144204401 -1.15551945091 0.439557422157 TCL: atom 1: phi = 0.425426804903 TCL: Center of mass = 18.1160096468 -1.1554905511 0.440136024673 TCL: atom 1: phi = 0.425236234383 TCL: Center of mass = 18.11761662 -1.1554570351 0.440738290851 TCL: atom 1: phi = 0.425050073157 TCL: Center of mass = 18.1191985143 -1.15537915441 0.441353814013 TCL: atom 1: phi = 0.424724267461 TCL: Center of mass = 18.1207593641 -1.1553097109 0.44199456042 TCL: atom 1: phi = 0.424556441342 TCL: Center of mass = 18.122290084 -1.15524414055 0.442659731658 TCL: atom 1: phi = 0.424290245575 TCL: Center of mass = 18.1238112157 -1.15520133225 0.443319140201 TCL: atom 1: phi = 0.42409319729 TCL: Center of mass = 18.1252846654 -1.15515986951 0.443974085911 TCL: atom 1: phi = 0.423712482639 TCL: Center of mass = 18.1267468212 -1.15513234421 0.444619180337 TCL: atom 1: phi = 0.423301499341 TCL: Center of mass = 18.1281835809 -1.15506848969 0.445267138042 TCL: atom 1: phi = 0.422650466758 TCL: Center of mass = 18.1296156938 -1.15499176867 0.445897296455 TCL: atom 1: phi = 0.421997878868 TCL: Center of mass = 18.131051125 -1.15487616858 0.446568811868 TCL: atom 1: phi = 0.42131582349 TCL: Center of mass = 18.1324927073 -1.15477268067 0.447284150181 TCL: atom 1: phi = 0.420853741942 TCL: Center of mass = 18.1339160411 -1.15466012139 0.448034141334 TCL: atom 1: phi = 0.42055588778 TCL: Center of mass = 18.1353498457 -1.15457317583 0.448810718808 TCL: atom 1: phi = 0.420619506308 TCL: Center of mass = 18.136768398 -1.15451003679 0.449610891763 TCL: atom 1: phi = 0.420871277159 TCL: Center of mass = 18.1381748467 -1.15451044974 0.45041874157 TCL: atom 1: phi = 0.42132316072 TCL: Center of mass = 18.1395671338 -1.15454205257 0.451228177996 TCL: atom 1: phi = 0.421747078406 TCL: Center of mass = 18.1409980266 -1.15457963184 0.452031889306 TCL: atom 1: phi = 0.422171177066 TCL: Center of mass = 18.1424257983 -1.15460919249 0.452838920529 TCL: atom 1: phi = 0.422397329118 TCL: Center of mass = 18.1438833561 -1.15463646799 0.45367017197 TCL: atom 1: phi = 0.422501346489 TCL: Center of mass = 18.1453526409 -1.15464217219 0.454518115809 TCL: atom 1: phi = 0.422394778478 TCL: Center of mass = 18.1468426569 -1.15462660966 0.45539939531 TCL: atom 1: phi = 0.422275396364 TCL: Center of mass = 18.148352884 -1.15458271631 0.456323445755 TCL: atom 1: phi = 0.42204774866 TCL: Center of mass = 18.1499070261 -1.15452455371 0.457314320288 TCL: atom 1: phi = 0.421843008499 TCL: Center of mass = 18.1514852894 -1.1544339543 0.45833184125 TCL: atom 1: phi = 0.42151343594 TCL: Center of mass = 18.1531151682 -1.15434419952 0.459379852977 TCL: atom 1: phi = 0.421127305176 TCL: Center of mass = 18.154783831 -1.1542453317 0.460415322532 TCL: atom 1: phi = 0.420500147435 TCL: Center of mass = 18.1564868979 -1.15413723849 0.461432190768 TCL: atom 1: phi = 0.419675025245 TCL: Center of mass = 18.1582362979 -1.15400563272 0.462420485469 TCL: atom 1: phi = 0.4185381905 TCL: Center of mass = 18.1600199759 -1.15386173268 0.463389825839 TCL: atom 1: phi = 0.417292308627 TCL: Center of mass = 18.1618237233 -1.15366814253 0.464342538791 TCL: atom 1: phi = 0.415919006264 TCL: Center of mass = 18.1636618342 -1.15346402559 0.465303533316 TCL: atom 1: phi = 0.414705229781 TCL: Center of mass = 18.1654934579 -1.15321512467 0.466261791503 TCL: atom 1: phi = 0.413645278856 TCL: Center of mass = 18.1673226492 -1.15298954548 0.467204202912 TCL: atom 1: phi = 0.412916287759 TCL: Center of mass = 18.1691345693 -1.15274941862 0.468115073871 TCL: atom 1: phi = 0.412395579843 WRITING COORDINATES TO DCD FILE AT STEP 13200 WRITING COORDINATES TO RESTART FILE AT STEP 13200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13200 FINISHED WRITING RESTART VELOCITIES TIMING: 13200 CPU: 705.505, 0.0540218/step Wall: 843.064, 0.063867/step, 0.120638 hours remaining, 13612 kB of memory in use. ENERGY: 13200 3404.8591 2441.4261 386.7665 40.6918 -44558.0826 4084.6668 0.0000 0.0000 9915.6612 -24284.0111 293.9405 -24138.7747 -24135.7973 292.7978 1694.6309 -571.2381 125000.0000 -746.1934 -743.4207 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13200 TCL: Center of mass = 18.1709618735 -1.15252731168 0.469003902549 TCL: atom 1: phi = 0.412168383604 TCL: Center of mass = 18.1727642317 -1.15231960561 0.469866868548 TCL: atom 1: phi = 0.412068718107 TCL: Center of mass = 18.1745563071 -1.15213133557 0.470684452521 TCL: atom 1: phi = 0.412098100702 TCL: Center of mass = 18.1763334284 -1.15195252521 0.471439794773 TCL: atom 1: phi = 0.412136236771 TCL: Center of mass = 18.1780792325 -1.15179791909 0.47213992402 TCL: atom 1: phi = 0.41222740283 TCL: Center of mass = 18.1797722228 -1.15166746562 0.472791230891 TCL: atom 1: phi = 0.412347392559 TCL: Center of mass = 18.1814357476 -1.151560134 0.4734213034 TCL: atom 1: phi = 0.412585918656 TCL: Center of mass = 18.1830302827 -1.15147392284 0.474057981095 TCL: atom 1: phi = 0.41296424333 TCL: Center of mass = 18.1845884131 -1.15142366391 0.474711220303 TCL: atom 1: phi = 0.413588778755 TCL: Center of mass = 18.1861034427 -1.15138966067 0.475356619691 TCL: atom 1: phi = 0.414286072773 TCL: Center of mass = 18.1876070796 -1.15136178994 0.476006990347 TCL: atom 1: phi = 0.415088901901 TCL: Center of mass = 18.1890964422 -1.15134145274 0.476670032477 TCL: atom 1: phi = 0.41584756388 TCL: Center of mass = 18.190580282 -1.15133269451 0.477331103006 TCL: atom 1: phi = 0.416512649494 TCL: Center of mass = 18.1920568065 -1.15132904741 0.47796517566 TCL: atom 1: phi = 0.41697657981 TCL: Center of mass = 18.1935297804 -1.15133106791 0.478593729057 TCL: atom 1: phi = 0.417322249655 TCL: Center of mass = 18.1950044268 -1.15134402918 0.479215154041 TCL: atom 1: phi = 0.417531106716 TCL: Center of mass = 18.1964535145 -1.15138138538 0.479833166476 TCL: atom 1: phi = 0.417757781707 TCL: Center of mass = 18.1978689422 -1.15141443541 0.480458153936 TCL: atom 1: phi = 0.417979436561 TCL: Center of mass = 18.1992764392 -1.15146917448 0.481126508772 TCL: atom 1: phi = 0.418344842134 TCL: Center of mass = 18.2006704063 -1.15153388543 0.481802319764 TCL: atom 1: phi = 0.418803465772 TCL: Center of mass = 18.2020870648 -1.15159785048 0.482530698108 TCL: atom 1: phi = 0.419425550553 TCL: Center of mass = 18.2035256636 -1.15165585729 0.483279929893 TCL: atom 1: phi = 0.420034997056 TCL: Center of mass = 18.2049781904 -1.1517011972 0.484050966698 TCL: atom 1: phi = 0.420570404472 TCL: Center of mass = 18.2064443335 -1.15173682219 0.484836433355 TCL: atom 1: phi = 0.420921566485 TCL: Center of mass = 18.2079421471 -1.15176252723 0.485632832061 TCL: atom 1: phi = 0.421109751393 TCL: Center of mass = 18.2094301379 -1.15181817744 0.486419766842 TCL: atom 1: phi = 0.421115821373 TCL: Center of mass = 18.2109030428 -1.15187326194 0.487217403327 TCL: atom 1: phi = 0.421126703892 TCL: Center of mass = 18.212350161 -1.15194495402 0.487999046008 TCL: atom 1: phi = 0.421150279188 TCL: Center of mass = 18.2138059534 -1.15203791799 0.488797406782 TCL: atom 1: phi = 0.421294585101 TCL: Center of mass = 18.2152427551 -1.15216592737 0.489578198899 TCL: atom 1: phi = 0.421548032102 TCL: Center of mass = 18.2166961305 -1.15230937251 0.490370836823 TCL: atom 1: phi = 0.421898217162 TCL: Center of mass = 18.2181551872 -1.15246955926 0.49114784176 TCL: atom 1: phi = 0.422256544469 TCL: Center of mass = 18.2196580364 -1.15264294624 0.491909492266 TCL: atom 1: phi = 0.422582944374 TCL: Center of mass = 18.2211697218 -1.15283245639 0.492657576836 TCL: atom 1: phi = 0.422710641427 TCL: Center of mass = 18.2226913667 -1.15301694618 0.493396628601 TCL: atom 1: phi = 0.422740311225 TCL: Center of mass = 18.2241877439 -1.15320571493 0.494100586355 TCL: atom 1: phi = 0.42262912799 TCL: Center of mass = 18.2256819108 -1.15340613011 0.494796490524 TCL: atom 1: phi = 0.422529592476 TCL: Center of mass = 18.2271330415 -1.15362301923 0.495455597703 TCL: atom 1: phi = 0.422515529808 TCL: Center of mass = 18.228566997 -1.15387967619 0.496099778251 TCL: atom 1: phi = 0.422679774018 TCL: Center of mass = 18.2299882005 -1.15416675753 0.496698943136 TCL: atom 1: phi = 0.423091674766 TCL: Center of mass = 18.2314315968 -1.1544732267 0.497255755584 TCL: atom 1: phi = 0.423764261334 TCL: Center of mass = 18.2328757923 -1.1547687893 0.497789189948 TCL: atom 1: phi = 0.424591242294 TCL: Center of mass = 18.2343675031 -1.15506236122 0.498291137006 TCL: atom 1: phi = 0.425611490516 TCL: Center of mass = 18.2358933743 -1.15533644571 0.498778005987 TCL: atom 1: phi = 0.426675896216 TCL: Center of mass = 18.2374613456 -1.15557685297 0.499279349481 TCL: atom 1: phi = 0.427825547467 TCL: Center of mass = 18.239044482 -1.1557840403 0.499772438301 TCL: atom 1: phi = 0.428882695854 TCL: Center of mass = 18.2406542015 -1.15600404162 0.500271790106 TCL: atom 1: phi = 0.42996826967 TCL: Center of mass = 18.2422589452 -1.15623439092 0.50075994013 TCL: atom 1: phi = 0.431085991557 TCL: Center of mass = 18.2438823592 -1.15648284767 0.501237642253 TCL: atom 1: phi = 0.432350610863 TCL: Center of mass = 18.2454886484 -1.15675167284 0.501674467726 TCL: atom 1: phi = 0.433683409907 TCL: Center of mass = 18.2471162968 -1.15701737313 0.502082488773 TCL: atom 1: phi = 0.43513676276 TCL: Center of mass = 18.2487399417 -1.15727175596 0.502464976556 TCL: atom 1: phi = 0.436583273281 TCL: Center of mass = 18.2503903266 -1.15751863291 0.502830458765 TCL: atom 1: phi = 0.43807263947 TCL: Center of mass = 18.2520516995 -1.15774199622 0.503180317203 TCL: atom 1: phi = 0.439404620175 TCL: Center of mass = 18.2537439614 -1.15793472291 0.50354226153 TCL: atom 1: phi = 0.440626256852 TCL: Center of mass = 18.2553999933 -1.15809769452 0.503903257537 TCL: atom 1: phi = 0.441624958454 TCL: Center of mass = 18.2570515383 -1.15824091344 0.504281168751 TCL: atom 1: phi = 0.442491451911 TCL: Center of mass = 18.2586716115 -1.15836403443 0.504654917448 TCL: atom 1: phi = 0.443283733875 TCL: Center of mass = 18.2602740143 -1.15849542027 0.50502863844 TCL: atom 1: phi = 0.444095318431 TCL: Center of mass = 18.2618358668 -1.15859672618 0.505360170066 TCL: atom 1: phi = 0.444960329548 TCL: Center of mass = 18.263383156 -1.15871497577 0.505655581639 TCL: atom 1: phi = 0.445940377205 TCL: Center of mass = 18.2648888001 -1.15883357284 0.505896525932 TCL: atom 1: phi = 0.447030084767 TCL: Center of mass = 18.2663926044 -1.15896553958 0.506119646947 TCL: atom 1: phi = 0.448230688508 TCL: Center of mass = 18.267884326 -1.15908563684 0.506354240187 TCL: atom 1: phi = 0.449398440101 TCL: Center of mass = 18.2694054968 -1.15921537867 0.506633951366 TCL: atom 1: phi = 0.450532441275 TCL: Center of mass = 18.2709229697 -1.15934800062 0.506955223218 TCL: atom 1: phi = 0.451555671835 TCL: Center of mass = 18.2724264715 -1.159491018 0.507315284985 TCL: atom 1: phi = 0.452518325811 TCL: Center of mass = 18.2739150511 -1.15965045308 0.507714012316 TCL: atom 1: phi = 0.45338675315 TCL: Center of mass = 18.2754310041 -1.15984381269 0.508114975705 TCL: atom 1: phi = 0.454258774732 TCL: Center of mass = 18.2769405562 -1.16006006541 0.508508776783 TCL: atom 1: phi = 0.455084205871 TCL: Center of mass = 18.2784456192 -1.16031375901 0.508900889163 TCL: atom 1: phi = 0.455982109824 TCL: Center of mass = 18.2799356546 -1.1605664273 0.509247467387 TCL: atom 1: phi = 0.456768584301 TCL: Center of mass = 18.2814388228 -1.16082467867 0.50954659264 TCL: atom 1: phi = 0.457438433959 TCL: Center of mass = 18.2829432212 -1.16107272319 0.509836938563 TCL: atom 1: phi = 0.457868426678 TCL: Center of mass = 18.2844501546 -1.1613126536 0.510120454797 TCL: atom 1: phi = 0.458061857073 TCL: Center of mass = 18.2859467672 -1.16155106619 0.510402237803 TCL: atom 1: phi = 0.457999555544 TCL: Center of mass = 18.2874431398 -1.16181374589 0.510703030121 TCL: atom 1: phi = 0.457759799252 TCL: Center of mass = 18.2889293096 -1.16207231985 0.511004428413 TCL: atom 1: phi = 0.457378107608 TCL: Center of mass = 18.2904075168 -1.16232915658 0.511314347943 TCL: atom 1: phi = 0.456968964164 TCL: Center of mass = 18.2918570765 -1.16255745861 0.511603756925 TCL: atom 1: phi = 0.456554301501 TCL: Center of mass = 18.2933030462 -1.16277381675 0.511880940144 TCL: atom 1: phi = 0.456170953173 TCL: Center of mass = 18.2947005585 -1.16296005825 0.512133372835 TCL: atom 1: phi = 0.455793175739 TCL: Center of mass = 18.2960813219 -1.16312296481 0.512341874343 TCL: atom 1: phi = 0.455467383979 TCL: Center of mass = 18.2974180043 -1.1632513127 0.512503514999 TCL: atom 1: phi = 0.455162517447 TCL: Center of mass = 18.2987432883 -1.16339176686 0.512646156711 TCL: atom 1: phi = 0.45493147402 TCL: Center of mass = 18.3000572965 -1.16350011994 0.51278745059 TCL: atom 1: phi = 0.45469260079 TCL: Center of mass = 18.3013815278 -1.16360710482 0.512935940144 TCL: atom 1: phi = 0.454490886931 TCL: Center of mass = 18.3026880048 -1.16371858201 0.513084386531 TCL: atom 1: phi = 0.454347439401 TCL: Center of mass = 18.3040078332 -1.16384001013 0.513241653165 TCL: atom 1: phi = 0.45431344705 TCL: Center of mass = 18.3053272809 -1.16395279552 0.513408536846 TCL: atom 1: phi = 0.454330870934 TCL: Center of mass = 18.3066741193 -1.16406837218 0.513583897864 TCL: atom 1: phi = 0.454446586527 TCL: Center of mass = 18.3080302662 -1.16418262951 0.513770559605 TCL: atom 1: phi = 0.454631763287 TCL: Center of mass = 18.3093990313 -1.1642987582 0.513954648762 TCL: atom 1: phi = 0.454878888404 TCL: Center of mass = 18.3107363736 -1.1644007229 0.514148353176 TCL: atom 1: phi = 0.45510123673 TCL: Center of mass = 18.3120502103 -1.16451601224 0.514346926679 TCL: atom 1: phi = 0.455272887032 TCL: Center of mass = 18.3133061612 -1.16461880087 0.514549422506 TCL: atom 1: phi = 0.455395614125 TCL: Center of mass = 18.314542729 -1.16474972261 0.514761128014 TCL: atom 1: phi = 0.455446323525 TCL: Center of mass = 18.3157446451 -1.16489013291 0.514991476292 TCL: atom 1: phi = 0.455440264176 TCL: Center of mass = 18.3169503856 -1.16504329101 0.515237458581 TCL: atom 1: phi = 0.455405282636 TCL: Center of mass = 18.3181376783 -1.16521606052 0.515494485396 TCL: atom 1: phi = 0.455290715148 WRITING COORDINATES TO DCD FILE AT STEP 13300 WRITING COORDINATES TO RESTART FILE AT STEP 13300 FINISHED WRITING RESTART COORDINATES TIMING: 13300 CPU: 710.893, 0.0538818/step Wall: 849.409, 0.0634459/step, 0.11808 hours remaining, 13612 kB of memory in use. ENERGY: 13300 3448.8376 2576.4969 386.2563 32.6408 -44658.6923 4095.5281 0.0000 0.0000 9808.0773 -24310.8553 290.7513 -24165.0357 -24163.4709 292.4764 1448.2164 -738.8966 125000.0000 -673.5869 -672.2501 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13300 WRITING VELOCITIES TO RESTART FILE AT STEP 13300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 18.3193371946 -1.16538952917 0.515776748343 TCL: atom 1: phi = 0.455168574063 TCL: Center of mass = 18.3205239833 -1.16555469885 0.516057971496 TCL: atom 1: phi = 0.455043584587 TCL: Center of mass = 18.3217069207 -1.16572495244 0.516344309372 TCL: atom 1: phi = 0.454946562452 TCL: Center of mass = 18.3228217522 -1.16587563663 0.51663711226 TCL: atom 1: phi = 0.45479613032 TCL: Center of mass = 18.3239026719 -1.16602084326 0.516943352433 TCL: atom 1: phi = 0.454639609381 TCL: Center of mass = 18.3248965105 -1.16615230774 0.51724102084 TCL: atom 1: phi = 0.454465715653 TCL: Center of mass = 18.3258562106 -1.16628530409 0.517533803987 TCL: atom 1: phi = 0.454358995836 TCL: Center of mass = 18.3267637903 -1.16641845267 0.517799777533 TCL: atom 1: phi = 0.454269806073 TCL: Center of mass = 18.3276826503 -1.16655863087 0.518054144514 TCL: atom 1: phi = 0.454265177565 TCL: Center of mass = 18.3285869568 -1.16666929817 0.518286028625 TCL: atom 1: phi = 0.454316338127 TCL: Center of mass = 18.3295337496 -1.16675063488 0.518488688764 TCL: atom 1: phi = 0.454463976033 TCL: Center of mass = 18.3305155854 -1.16680035585 0.518658715461 TCL: atom 1: phi = 0.454649270423 TCL: Center of mass = 18.3315486154 -1.16683635179 0.518811800486 TCL: atom 1: phi = 0.454894757917 TCL: Center of mass = 18.3326011386 -1.16685928256 0.518959531392 TCL: atom 1: phi = 0.455150427637 TCL: Center of mass = 18.3336781481 -1.1668855278 0.519109802107 TCL: atom 1: phi = 0.455400325657 TCL: Center of mass = 18.3347226948 -1.16690551786 0.519230388498 TCL: atom 1: phi = 0.455600940693 TCL: Center of mass = 18.3357713638 -1.16696007726 0.519350940969 TCL: atom 1: phi = 0.455844661311 TCL: Center of mass = 18.3367906721 -1.16701341578 0.519434417278 TCL: atom 1: phi = 0.45611365216 TCL: Center of mass = 18.3378263328 -1.16708807368 0.519502333657 TCL: atom 1: phi = 0.456461180689 TCL: Center of mass = 18.338877267 -1.16714442263 0.519523241745 TCL: atom 1: phi = 0.456832059726 TCL: Center of mass = 18.3399575919 -1.16719217281 0.519512856111 TCL: atom 1: phi = 0.457320233608 TCL: Center of mass = 18.3410826922 -1.16718239287 0.519503380401 TCL: atom 1: phi = 0.457850275774 TCL: Center of mass = 18.3422404451 -1.16715281459 0.51952799812 TCL: atom 1: phi = 0.458452168586 TCL: Center of mass = 18.343451731 -1.1670854119 0.519572198601 TCL: atom 1: phi = 0.459075154483 TCL: Center of mass = 18.3447013662 -1.16702243454 0.519637706432 TCL: atom 1: phi = 0.459793733837 TCL: Center of mass = 18.3459620214 -1.16695389291 0.519714751589 TCL: atom 1: phi = 0.460618137783 TCL: Center of mass = 18.3472014824 -1.16690066272 0.519798884391 TCL: atom 1: phi = 0.461651402186 TCL: Center of mass = 18.3484105706 -1.16685796172 0.519853342963 TCL: atom 1: phi = 0.46275523166 TCL: Center of mass = 18.3495885011 -1.16682230468 0.519878138486 TCL: atom 1: phi = 0.463999311833 TCL: Center of mass = 18.3507768055 -1.16676717664 0.519878074041 TCL: atom 1: phi = 0.465295675062 TCL: Center of mass = 18.3519961069 -1.16669498874 0.51985880027 TCL: atom 1: phi = 0.466715018737 TCL: Center of mass = 18.3532449619 -1.16661074613 0.519829884617 TCL: atom 1: phi = 0.468146554616 TCL: Center of mass = 18.3545278715 -1.16650567866 0.519815592458 TCL: atom 1: phi = 0.46951287733 TCL: Center of mass = 18.3558804548 -1.16638406784 0.51979311185 TCL: atom 1: phi = 0.470750835762 TCL: Center of mass = 18.3572937891 -1.16626537459 0.519793806949 TCL: atom 1: phi = 0.471925948987 TCL: Center of mass = 18.3587461488 -1.16611937034 0.51981117076 TCL: atom 1: phi = 0.472955693878 TCL: Center of mass = 18.3602133427 -1.16599405781 0.519848141497 TCL: atom 1: phi = 0.473911588789 TCL: Center of mass = 18.361679363 -1.16589708049 0.519852812737 TCL: atom 1: phi = 0.474725079683 TCL: Center of mass = 18.3631519651 -1.16586467974 0.519834049302 TCL: atom 1: phi = 0.475411055801 TCL: Center of mass = 18.3646332872 -1.16585953825 0.519781630588 TCL: atom 1: phi = 0.475934060504 TCL: Center of mass = 18.3661160122 -1.16589702557 0.519705427918 TCL: atom 1: phi = 0.476274410539 TCL: Center of mass = 18.3676060058 -1.16594242337 0.519609503309 TCL: atom 1: phi = 0.476422877962 TCL: Center of mass = 18.3691078654 -1.16600995566 0.519510426487 TCL: atom 1: phi = 0.476416964509 TCL: Center of mass = 18.3706411605 -1.16608071354 0.51943237322 TCL: atom 1: phi = 0.476201157711 TCL: Center of mass = 18.3721972018 -1.16616282404 0.519387581804 TCL: atom 1: phi = 0.475930570068 TCL: Center of mass = 18.3737781338 -1.16626027202 0.519363600531 TCL: atom 1: phi = 0.475542883901 TCL: Center of mass = 18.375388561 -1.16638854954 0.519410994095 TCL: atom 1: phi = 0.475160208457 TCL: Center of mass = 18.3770049347 -1.16652067663 0.519490086386 TCL: atom 1: phi = 0.474741443959 TCL: Center of mass = 18.3786308164 -1.16666173733 0.519590262563 TCL: atom 1: phi = 0.474424031041 TCL: Center of mass = 18.3802886568 -1.16681449324 0.519652601832 TCL: atom 1: phi = 0.47406558245 TCL: Center of mass = 18.3819587461 -1.1669754525 0.519688160142 TCL: atom 1: phi = 0.473732753377 TCL: Center of mass = 18.3836413445 -1.1671248425 0.519682096458 TCL: atom 1: phi = 0.473380170454 TCL: Center of mass = 18.3853443235 -1.16727029656 0.519695489719 TCL: atom 1: phi = 0.473026051308 TCL: Center of mass = 18.3870655258 -1.16739767476 0.519696400606 TCL: atom 1: phi = 0.472565524507 TCL: Center of mass = 18.38880053 -1.16750672677 0.519742343198 TCL: atom 1: phi = 0.472040152834 TCL: Center of mass = 18.3905715411 -1.16759110085 0.519807274969 TCL: atom 1: phi = 0.471402315789 TCL: Center of mass = 18.3923597052 -1.16768632215 0.519912161177 TCL: atom 1: phi = 0.470755657237 TCL: Center of mass = 18.3941888706 -1.16776420116 0.520019950874 TCL: atom 1: phi = 0.470050678494 TCL: Center of mass = 18.3960475995 -1.16783845649 0.520131638304 TCL: atom 1: phi = 0.469348086426 TCL: Center of mass = 18.3979353876 -1.1678974927 0.520219995427 TCL: atom 1: phi = 0.468546104944 TCL: Center of mass = 18.3998500781 -1.16795890695 0.520299290652 TCL: atom 1: phi = 0.467768256393 TCL: Center of mass = 18.4017684805 -1.16800220515 0.520361227903 TCL: atom 1: phi = 0.466897685113 TCL: Center of mass = 18.4036790971 -1.16805783214 0.520410221069 TCL: atom 1: phi = 0.465998043245 TCL: Center of mass = 18.4055810041 -1.16812974807 0.520456297124 TCL: atom 1: phi = 0.46504002611 TCL: Center of mass = 18.4074497752 -1.16824004697 0.520500958867 TCL: atom 1: phi = 0.464069237074 TCL: Center of mass = 18.4093098202 -1.16837137009 0.520552310702 TCL: atom 1: phi = 0.463071376014 TCL: Center of mass = 18.4111429705 -1.16854824116 0.520620209842 TCL: atom 1: phi = 0.462193937043 TCL: Center of mass = 18.4130113424 -1.16873918078 0.520697022647 TCL: atom 1: phi = 0.461413780163 TCL: Center of mass = 18.414902265 -1.16893884755 0.520780589159 TCL: atom 1: phi = 0.460943989661 TCL: Center of mass = 18.4168121194 -1.16913613084 0.520862894878 TCL: atom 1: phi = 0.460639419574 TCL: Center of mass = 18.4187753824 -1.16933733453 0.520942505635 TCL: atom 1: phi = 0.460577871648 TCL: Center of mass = 18.4207790894 -1.16953377681 0.520999237912 TCL: atom 1: phi = 0.460653315357 TCL: Center of mass = 18.4228061054 -1.1697303893 0.52101606248 TCL: atom 1: phi = 0.460923127825 TCL: Center of mass = 18.4248320138 -1.1699459899 0.521030843443 TCL: atom 1: phi = 0.461279368921 TCL: Center of mass = 18.4268449547 -1.17017609374 0.521052132327 TCL: atom 1: phi = 0.461834902465 TCL: Center of mass = 18.4288471677 -1.17042027313 0.521052731284 TCL: atom 1: phi = 0.462458006021 TCL: Center of mass = 18.4308640373 -1.17067697504 0.521046010266 TCL: atom 1: phi = 0.463213085519 TCL: Center of mass = 18.4328800982 -1.17093885144 0.521021895426 TCL: atom 1: phi = 0.46406766208 TCL: Center of mass = 18.4349374187 -1.1711871559 0.520974374678 TCL: atom 1: phi = 0.465118298955 TCL: Center of mass = 18.4370182536 -1.17139673921 0.520917294242 TCL: atom 1: phi = 0.466232162919 TCL: Center of mass = 18.4391538682 -1.17159351065 0.520848017834 TCL: atom 1: phi = 0.467444723111 TCL: Center of mass = 18.4413041975 -1.17175270036 0.520761444293 TCL: atom 1: phi = 0.46861305454 TCL: Center of mass = 18.4434611119 -1.17191703312 0.520665022718 TCL: atom 1: phi = 0.469810486457 TCL: Center of mass = 18.4455888547 -1.17207066467 0.520556224026 TCL: atom 1: phi = 0.470846761794 TCL: Center of mass = 18.447672705 -1.17224607526 0.520451875292 TCL: atom 1: phi = 0.471806235399 TCL: Center of mass = 18.449696562 -1.17242927692 0.520332724269 TCL: atom 1: phi = 0.472580445926 TCL: Center of mass = 18.4516785496 -1.17263153861 0.52021115717 TCL: atom 1: phi = 0.473349081823 TCL: Center of mass = 18.4536067845 -1.17285615956 0.52007388164 TCL: atom 1: phi = 0.473999286346 TCL: Center of mass = 18.4555201001 -1.1731129503 0.519949398405 TCL: atom 1: phi = 0.474666650296 TCL: Center of mass = 18.457425644 -1.17334575233 0.519835919978 TCL: atom 1: phi = 0.475264158981 TCL: Center of mass = 18.4593486184 -1.17353941087 0.519749478844 TCL: atom 1: phi = 0.47592926116 TCL: Center of mass = 18.4612728049 -1.17370168415 0.519691970955 TCL: atom 1: phi = 0.476630207201 TCL: Center of mass = 18.4632028233 -1.17383758902 0.519673514298 TCL: atom 1: phi = 0.477363182589 TCL: Center of mass = 18.4651111241 -1.17395709086 0.519693926594 TCL: atom 1: phi = 0.478041050903 TCL: Center of mass = 18.4669982004 -1.17408543196 0.519741625045 TCL: atom 1: phi = 0.478690299828 TCL: Center of mass = 18.4688410975 -1.17423371813 0.519802556105 TCL: atom 1: phi = 0.479231143355 TCL: Center of mass = 18.4706287744 -1.17439458887 0.519870628848 TCL: atom 1: phi = 0.479766448254 TCL: Center of mass = 18.4723624214 -1.17457662907 0.519935870896 TCL: atom 1: phi = 0.48024246311 TCL: Center of mass = 18.4741006403 -1.17477488371 0.519993834941 TCL: atom 1: phi = 0.480776045864 TCL: Center of mass = 18.4758460484 -1.17495317489 0.52005203344 TCL: atom 1: phi = 0.481292061394 WRITING COORDINATES TO DCD FILE AT STEP 13400 WRITING COORDINATES TO RESTART FILE AT STEP 13400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13400 FINISHED WRITING RESTART VELOCITIES TIMING: 13400 CPU: 716.279, 0.0538618/step Wall: 855.833, 0.0642398/step, 0.117773 hours remaining, 13612 kB of memory in use. ENERGY: 13400 3437.7797 2543.0111 374.6900 39.0255 -44650.2147 4039.1860 0.0000 0.0000 9917.6940 -24298.8283 294.0008 -24151.8501 -24154.7252 293.5913 1203.8008 -923.0676 125000.0000 -603.9250 -606.3436 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13400 TCL: Center of mass = 18.4776162647 -1.17510161976 0.52012575791 TCL: atom 1: phi = 0.481908437009 TCL: Center of mass = 18.4794129748 -1.17521365481 0.520224471695 TCL: atom 1: phi = 0.482485689044 TCL: Center of mass = 18.4812514502 -1.17531609943 0.520356443189 TCL: atom 1: phi = 0.483110537658 TCL: Center of mass = 18.4831029774 -1.17542563407 0.520513600954 TCL: atom 1: phi = 0.483577846536 TCL: Center of mass = 18.4849422389 -1.17555948229 0.520675666197 TCL: atom 1: phi = 0.483965237934 TCL: Center of mass = 18.4867349392 -1.17571869718 0.520850068074 TCL: atom 1: phi = 0.484174408736 TCL: Center of mass = 18.4885155611 -1.17593597199 0.521004727638 TCL: atom 1: phi = 0.484294352594 TCL: Center of mass = 18.4902235517 -1.17619695979 0.52111030306 TCL: atom 1: phi = 0.484192721886 TCL: Center of mass = 18.4919193901 -1.17650640827 0.521166590057 TCL: atom 1: phi = 0.484019062781 TCL: Center of mass = 18.4935875962 -1.17684804726 0.521199618749 TCL: atom 1: phi = 0.483728237709 TCL: Center of mass = 18.4952799239 -1.17720912912 0.521214449006 TCL: atom 1: phi = 0.483500917808 TCL: Center of mass = 18.496969005 -1.17754740323 0.52121894562 TCL: atom 1: phi = 0.48320961261 TCL: Center of mass = 18.4986731527 -1.17788486813 0.521259319541 TCL: atom 1: phi = 0.483020673835 TCL: Center of mass = 18.5003565091 -1.17821369821 0.521315561315 TCL: atom 1: phi = 0.482792691546 TCL: Center of mass = 18.5020536837 -1.17855657294 0.521399233664 TCL: atom 1: phi = 0.482615097025 TCL: Center of mass = 18.5037355542 -1.17890863396 0.52148143497 TCL: atom 1: phi = 0.482348208543 TCL: Center of mass = 18.5054189373 -1.17929073123 0.521565034277 TCL: atom 1: phi = 0.482077808363 TCL: Center of mass = 18.507090754 -1.17968764777 0.52164907761 TCL: atom 1: phi = 0.481832751514 TCL: Center of mass = 18.5087718147 -1.18010412335 0.521704058378 TCL: atom 1: phi = 0.481710707384 TCL: Center of mass = 18.5104403334 -1.18052563417 0.521740380765 TCL: atom 1: phi = 0.481647332402 TCL: Center of mass = 18.5121278895 -1.18093010551 0.521775940445 TCL: atom 1: phi = 0.481762849794 TCL: Center of mass = 18.5138131651 -1.18127721854 0.521838065745 TCL: atom 1: phi = 0.481990352086 TCL: Center of mass = 18.5155368065 -1.1816020813 0.521949381745 TCL: atom 1: phi = 0.482390695132 TCL: Center of mass = 18.5172722122 -1.18188336484 0.522155039859 TCL: atom 1: phi = 0.482818016993 TCL: Center of mass = 18.5190210513 -1.18213576305 0.522418597438 TCL: atom 1: phi = 0.483318722146 TCL: Center of mass = 18.5207875485 -1.18235577383 0.522736668188 TCL: atom 1: phi = 0.483767963062 TCL: Center of mass = 18.5225559687 -1.18259424832 0.52310006812 TCL: atom 1: phi = 0.484237000671 TCL: Center of mass = 18.5243178547 -1.18284772556 0.523478591384 TCL: atom 1: phi = 0.484604260843 TCL: Center of mass = 18.5260868209 -1.18314378764 0.523865750659 TCL: atom 1: phi = 0.484974708211 TCL: Center of mass = 18.5278514664 -1.18346243431 0.524222069745 TCL: atom 1: phi = 0.485254575429 TCL: Center of mass = 18.5296320131 -1.1837990271 0.524539549349 TCL: atom 1: phi = 0.485615601827 TCL: Center of mass = 18.5314116568 -1.18415540132 0.524833309042 TCL: atom 1: phi = 0.485934063688 TCL: Center of mass = 18.5331988766 -1.1845498821 0.525135793315 TCL: atom 1: phi = 0.486326156889 TCL: Center of mass = 18.5349716221 -1.1849520697 0.52544249998 TCL: atom 1: phi = 0.48668871853 TCL: Center of mass = 18.536751674 -1.18539441658 0.525750781509 TCL: atom 1: phi = 0.487077484795 TCL: Center of mass = 18.5385211003 -1.18586802523 0.526079774726 TCL: atom 1: phi = 0.487349485314 TCL: Center of mass = 18.5402982742 -1.18638683095 0.526426782074 TCL: atom 1: phi = 0.487587783556 TCL: Center of mass = 18.5420639746 -1.18688915112 0.526765796743 TCL: atom 1: phi = 0.487647367625 TCL: Center of mass = 18.5438686265 -1.18742282802 0.52708030953 TCL: atom 1: phi = 0.487761660054 TCL: Center of mass = 18.5456912043 -1.1879569838 0.527352591769 TCL: atom 1: phi = 0.487811024251 TCL: Center of mass = 18.5475204634 -1.18848285326 0.527585604265 TCL: atom 1: phi = 0.488000532955 TCL: Center of mass = 18.5493460067 -1.18898322458 0.527783389866 TCL: atom 1: phi = 0.488221653351 TCL: Center of mass = 18.5511689884 -1.18949710921 0.52796345706 TCL: atom 1: phi = 0.488585564735 TCL: Center of mass = 18.5529902338 -1.18998695746 0.528136736383 TCL: atom 1: phi = 0.489009631924 TCL: Center of mass = 18.5548107752 -1.19045789874 0.528313273273 TCL: atom 1: phi = 0.489565887279 TCL: Center of mass = 18.556610058 -1.1909027287 0.528477818942 TCL: atom 1: phi = 0.49001574032 TCL: Center of mass = 18.5584324991 -1.19133449882 0.528651754381 TCL: atom 1: phi = 0.490544371962 TCL: Center of mass = 18.5602601411 -1.19173712752 0.528816514261 TCL: atom 1: phi = 0.490990363131 TCL: Center of mass = 18.562111999 -1.19215164076 0.52897524386 TCL: atom 1: phi = 0.491524128976 TCL: Center of mass = 18.5639868185 -1.19256112192 0.529114428631 TCL: atom 1: phi = 0.492018136652 TCL: Center of mass = 18.5658708664 -1.1929681041 0.529223186314 TCL: atom 1: phi = 0.492633085713 TCL: Center of mass = 18.5677452154 -1.19339005181 0.529312746351 TCL: atom 1: phi = 0.493256364796 TCL: Center of mass = 18.5696029284 -1.19383842599 0.529373157582 TCL: atom 1: phi = 0.494050133537 TCL: Center of mass = 18.5714248989 -1.19431918647 0.529397841303 TCL: atom 1: phi = 0.494850806084 TCL: Center of mass = 18.5732166229 -1.19483600372 0.529403069893 TCL: atom 1: phi = 0.495795930228 TCL: Center of mass = 18.5750108129 -1.19537608964 0.529369543958 TCL: atom 1: phi = 0.496685903671 TCL: Center of mass = 18.5768285487 -1.19591008894 0.529300947698 TCL: atom 1: phi = 0.49762284492 TCL: Center of mass = 18.5786461994 -1.19643693355 0.529185369756 TCL: atom 1: phi = 0.498458537708 TCL: Center of mass = 18.5805147049 -1.19693533051 0.529037781591 TCL: atom 1: phi = 0.499316920368 TCL: Center of mass = 18.5823978681 -1.19741149989 0.52887660206 TCL: atom 1: phi = 0.500000912086 TCL: Center of mass = 18.5843258454 -1.1978832811 0.528722754298 TCL: atom 1: phi = 0.500749024704 TCL: Center of mass = 18.586257086 -1.19833465453 0.528535981187 TCL: atom 1: phi = 0.501354503618 TCL: Center of mass = 18.5881873805 -1.19880453534 0.528329258655 TCL: atom 1: phi = 0.502001731404 TCL: Center of mass = 18.5900799369 -1.19927459006 0.528094838567 TCL: atom 1: phi = 0.502476510156 TCL: Center of mass = 18.5919514124 -1.19973677381 0.527836631381 TCL: atom 1: phi = 0.502920028051 TCL: Center of mass = 18.5937694895 -1.20017742924 0.527550813637 TCL: atom 1: phi = 0.503110575804 TCL: Center of mass = 18.595578869 -1.20060488916 0.527255405778 TCL: atom 1: phi = 0.503187484806 TCL: Center of mass = 18.5973611606 -1.20097633313 0.52692748805 TCL: atom 1: phi = 0.502976221105 TCL: Center of mass = 18.5991966413 -1.20131067487 0.52661566615 TCL: atom 1: phi = 0.502651297471 TCL: Center of mass = 18.6010550799 -1.20159581086 0.526312650569 TCL: atom 1: phi = 0.502162473251 TCL: Center of mass = 18.6029419566 -1.20186439697 0.526045825269 TCL: atom 1: phi = 0.501639996439 TCL: Center of mass = 18.6048092725 -1.20211185702 0.525816054943 TCL: atom 1: phi = 0.500931175285 TCL: Center of mass = 18.6066834605 -1.20238250227 0.52560692754 TCL: atom 1: phi = 0.500196668839 TCL: Center of mass = 18.6085090247 -1.20267382304 0.525403979137 TCL: atom 1: phi = 0.499356103014 TCL: Center of mass = 18.6103057571 -1.20303215793 0.525169381022 TCL: atom 1: phi = 0.498552839197 TCL: Center of mass = 18.6120490217 -1.20344599617 0.524895005169 TCL: atom 1: phi = 0.497652578798 TCL: Center of mass = 18.613790236 -1.20387644918 0.524572768082 TCL: atom 1: phi = 0.496828668764 TCL: Center of mass = 18.6155044787 -1.20431586158 0.524214699853 TCL: atom 1: phi = 0.495955688309 TCL: Center of mass = 18.617235808 -1.2047663146 0.523841090649 TCL: atom 1: phi = 0.495233799081 TCL: Center of mass = 18.6189632873 -1.20519682724 0.523462848411 TCL: atom 1: phi = 0.494454947099 TCL: Center of mass = 18.6207221141 -1.20562724243 0.52313151487 TCL: atom 1: phi = 0.493806808236 TCL: Center of mass = 18.6224405271 -1.20604256485 0.522831615424 TCL: atom 1: phi = 0.493169296695 TCL: Center of mass = 18.6241719444 -1.20648122798 0.522578657148 TCL: atom 1: phi = 0.492677323672 TCL: Center of mass = 18.6258594846 -1.20693464152 0.522358877366 TCL: atom 1: phi = 0.492253070685 TCL: Center of mass = 18.6275653143 -1.2074568436 0.522171938277 TCL: atom 1: phi = 0.491993954787 TCL: Center of mass = 18.6292438318 -1.20800610903 0.521984834215 TCL: atom 1: phi = 0.491828267582 TCL: Center of mass = 18.630936321 -1.20858578545 0.521781052153 TCL: atom 1: phi = 0.491800829682 TCL: Center of mass = 18.6326103695 -1.20911072478 0.521562646407 TCL: atom 1: phi = 0.49182913066 TCL: Center of mass = 18.6343008994 -1.20963083016 0.521329613932 TCL: atom 1: phi = 0.492012265229 TCL: Center of mass = 18.6359599773 -1.21009157659 0.521093211494 TCL: atom 1: phi = 0.492123327847 TCL: Center of mass = 18.6376079376 -1.21051806053 0.520875445726 TCL: atom 1: phi = 0.492311252871 TCL: Center of mass = 18.639212261 -1.21088593072 0.520704563428 TCL: atom 1: phi = 0.492428002447 TCL: Center of mass = 18.6408032065 -1.21122713999 0.520582442199 TCL: atom 1: phi = 0.49254730026 TCL: Center of mass = 18.6423511879 -1.21156108786 0.520503850682 TCL: atom 1: phi = 0.492571768645 TCL: Center of mass = 18.6438760893 -1.21192612913 0.52044615586 TCL: atom 1: phi = 0.49258332001 TCL: Center of mass = 18.6453655832 -1.21231959644 0.520390740238 TCL: atom 1: phi = 0.492457353011 TCL: Center of mass = 18.6468683658 -1.21275348115 0.520292179129 TCL: atom 1: phi = 0.492346127991 TCL: Center of mass = 18.6483723273 -1.213204041 0.520135914433 TCL: atom 1: phi = 0.492167324692 TCL: Center of mass = 18.6499030736 -1.21370154306 0.519924099088 TCL: atom 1: phi = 0.492044215196 TCL: Center of mass = 18.6514441858 -1.21419534845 0.519669529175 TCL: atom 1: phi = 0.491850845602 WRITING COORDINATES TO DCD FILE AT STEP 13500 WRITING COORDINATES TO RESTART FILE AT STEP 13500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13500 FINISHED WRITING RESTART VELOCITIES TIMING: 13500 CPU: 721.688, 0.0540918/step Wall: 862.233, 0.0640058/step, 0.115566 hours remaining, 13612 kB of memory in use. ENERGY: 13500 3375.6424 2478.9291 401.4498 37.7956 -44548.8475 4040.6857 0.0000 0.0000 9865.7658 -24348.5790 292.4614 -24202.3473 -24202.1931 293.2699 1658.9142 -815.8180 125000.0000 -935.1739 -937.8404 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13500 TCL: Center of mass = 18.6530115696 -1.21467913169 0.519396486383 TCL: atom 1: phi = 0.491680724758 TCL: Center of mass = 18.6545716844 -1.2151421201 0.519146348486 TCL: atom 1: phi = 0.491509211693 TCL: Center of mass = 18.6561492329 -1.21560940954 0.518914814503 TCL: atom 1: phi = 0.491474100696 TCL: Center of mass = 18.6577113396 -1.21607314353 0.51872533063 TCL: atom 1: phi = 0.491483998157 TCL: Center of mass = 18.6592909816 -1.21652922431 0.518554830259 TCL: atom 1: phi = 0.491613280139 TCL: Center of mass = 18.6608735914 -1.21699590012 0.518404501416 TCL: atom 1: phi = 0.491765852122 TCL: Center of mass = 18.6625022068 -1.21747813106 0.518255038051 TCL: atom 1: phi = 0.492064007717 TCL: Center of mass = 18.6641493953 -1.21795686043 0.518109594542 TCL: atom 1: phi = 0.492442019667 TCL: Center of mass = 18.6658460121 -1.21844368726 0.517948321953 TCL: atom 1: phi = 0.492907306279 TCL: Center of mass = 18.6675362272 -1.21889769259 0.517774770418 TCL: atom 1: phi = 0.493310518298 TCL: Center of mass = 18.6692514267 -1.21932378117 0.51761433912 TCL: atom 1: phi = 0.493793788934 TCL: Center of mass = 18.6709200642 -1.2197295972 0.517486584123 TCL: atom 1: phi = 0.49420370145 TCL: Center of mass = 18.6725914118 -1.22012966366 0.517367147168 TCL: atom 1: phi = 0.49461724332 TCL: Center of mass = 18.6742028755 -1.220516473 0.517289333344 TCL: atom 1: phi = 0.494913483464 TCL: Center of mass = 18.6757930995 -1.22090446118 0.517248222352 TCL: atom 1: phi = 0.495239007086 TCL: Center of mass = 18.6773380356 -1.22131443895 0.517260838514 TCL: atom 1: phi = 0.495484991377 TCL: Center of mass = 18.678882778 -1.22175504054 0.517295460725 TCL: atom 1: phi = 0.495780610187 TCL: Center of mass = 18.6804002191 -1.22218427577 0.517354081476 TCL: atom 1: phi = 0.496061056253 TCL: Center of mass = 18.6819304468 -1.22264564037 0.517407373963 TCL: atom 1: phi = 0.496423758317 TCL: Center of mass = 18.6834527969 -1.22310058626 0.517483528916 TCL: atom 1: phi = 0.496702401416 TCL: Center of mass = 18.6849686164 -1.22357507756 0.517572381194 TCL: atom 1: phi = 0.497036862623 TCL: Center of mass = 18.6864521844 -1.22404971223 0.517655693735 TCL: atom 1: phi = 0.497356754353 TCL: Center of mass = 18.6879290835 -1.22453721849 0.517738132992 TCL: atom 1: phi = 0.497712916795 TCL: Center of mass = 18.6893862169 -1.22504216677 0.517825149485 TCL: atom 1: phi = 0.498058740883 TCL: Center of mass = 18.690857386 -1.22558701789 0.517903674983 TCL: atom 1: phi = 0.498471589717 TCL: Center of mass = 18.6923157213 -1.22612711171 0.51795596172 TCL: atom 1: phi = 0.498886697002 TCL: Center of mass = 18.6938178064 -1.22669081033 0.517971385726 TCL: atom 1: phi = 0.499335245855 TCL: Center of mass = 18.6953627168 -1.22726378469 0.517965930009 TCL: atom 1: phi = 0.499754068502 TCL: Center of mass = 18.6969649404 -1.22786121174 0.517946082374 TCL: atom 1: phi = 0.500233067395 TCL: Center of mass = 18.6985841235 -1.22844047964 0.517926377524 TCL: atom 1: phi = 0.500634777008 TCL: Center of mass = 18.7002152469 -1.22903762507 0.517910831932 TCL: atom 1: phi = 0.501021948047 TCL: Center of mass = 18.7018519658 -1.22959850462 0.517892418967 TCL: atom 1: phi = 0.501288361091 TCL: Center of mass = 18.7034966769 -1.23017294055 0.517892776225 TCL: atom 1: phi = 0.501498627868 TCL: Center of mass = 18.7051610258 -1.23074009377 0.517904821839 TCL: atom 1: phi = 0.501457204163 TCL: Center of mass = 18.706837434 -1.23130231953 0.51792031239 TCL: atom 1: phi = 0.501382789791 TCL: Center of mass = 18.7085123753 -1.2318337815 0.517943931365 TCL: atom 1: phi = 0.501167342925 TCL: Center of mass = 18.7101804822 -1.23234662147 0.51796805462 TCL: atom 1: phi = 0.500931549628 TCL: Center of mass = 18.7118379107 -1.23281460432 0.518006628778 TCL: atom 1: phi = 0.500584019983 TCL: Center of mass = 18.7134788105 -1.23327649797 0.518066874916 TCL: atom 1: phi = 0.500197767602 TCL: Center of mass = 18.7150896924 -1.2337122184 0.518168405355 TCL: atom 1: phi = 0.499717621668 TCL: Center of mass = 18.7166739985 -1.2341390136 0.518324866018 TCL: atom 1: phi = 0.499142082026 TCL: Center of mass = 18.7182132879 -1.23454562246 0.518515023669 TCL: atom 1: phi = 0.498455136726 TCL: Center of mass = 18.7197363525 -1.23495048539 0.518718572952 TCL: atom 1: phi = 0.497771234152 TCL: Center of mass = 18.7212177356 -1.23533537664 0.518929252222 TCL: atom 1: phi = 0.4969924361 TCL: Center of mass = 18.7226905637 -1.23570735058 0.519106537297 TCL: atom 1: phi = 0.496257066057 TCL: Center of mass = 18.7241312139 -1.23605519525 0.519268554258 TCL: atom 1: phi = 0.495550767516 TCL: Center of mass = 18.7255955453 -1.23640226133 0.519429180453 TCL: atom 1: phi = 0.495014347494 TCL: Center of mass = 18.7270845938 -1.23670554726 0.519570522138 TCL: atom 1: phi = 0.494589879804 TCL: Center of mass = 18.7285910052 -1.23698240221 0.519713230751 TCL: atom 1: phi = 0.494427755221 TCL: Center of mass = 18.7301047305 -1.23721674619 0.519868601926 TCL: atom 1: phi = 0.494436847994 TCL: Center of mass = 18.7316256282 -1.2374553621 0.520039530471 TCL: atom 1: phi = 0.494654205893 TCL: Center of mass = 18.7331211134 -1.23766834753 0.520224121629 TCL: atom 1: phi = 0.494954321866 TCL: Center of mass = 18.7346342945 -1.23791147039 0.520429722588 TCL: atom 1: phi = 0.49543920874 TCL: Center of mass = 18.7361233735 -1.23813417416 0.520623435887 TCL: atom 1: phi = 0.495953592304 TCL: Center of mass = 18.7376390934 -1.23836463981 0.520804485745 TCL: atom 1: phi = 0.496621634762 TCL: Center of mass = 18.7391751208 -1.23858339491 0.520921141031 TCL: atom 1: phi = 0.497298299936 TCL: Center of mass = 18.7407716438 -1.23878302951 0.521011166313 TCL: atom 1: phi = 0.498094872912 TCL: Center of mass = 18.742361464 -1.23895015834 0.521072824199 TCL: atom 1: phi = 0.498924778004 TCL: Center of mass = 18.7439461394 -1.23909795472 0.521146340239 TCL: atom 1: phi = 0.499915049819 TCL: Center of mass = 18.7455112762 -1.23918482283 0.521249307533 TCL: atom 1: phi = 0.500914519057 TCL: Center of mass = 18.747058114 -1.23927307402 0.521395367076 TCL: atom 1: phi = 0.50202654068 TCL: Center of mass = 18.7485496903 -1.23935053027 0.521577790307 TCL: atom 1: phi = 0.503053530176 TCL: Center of mass = 18.7500028494 -1.23945072612 0.521793594409 TCL: atom 1: phi = 0.504110111642 TCL: Center of mass = 18.7514168715 -1.23952813937 0.522007742698 TCL: atom 1: phi = 0.505005516934 TCL: Center of mass = 18.7528207195 -1.2396268119 0.522213709129 TCL: atom 1: phi = 0.505916911083 TCL: Center of mass = 18.7541849858 -1.23968393898 0.522374496448 TCL: atom 1: phi = 0.506620758494 TCL: Center of mass = 18.755567386 -1.23973552424 0.522498337007 TCL: atom 1: phi = 0.507435204148 TCL: Center of mass = 18.7569279643 -1.2397178253 0.522597459617 TCL: atom 1: phi = 0.508185804216 TCL: Center of mass = 18.7583009445 -1.23969156759 0.522677252886 TCL: atom 1: phi = 0.509067260334 TCL: Center of mass = 18.759672183 -1.23961889915 0.522776325366 TCL: atom 1: phi = 0.509907292471 TCL: Center of mass = 18.7610364431 -1.23954425353 0.522898302296 TCL: atom 1: phi = 0.510860390346 TCL: Center of mass = 18.7623768371 -1.23945013806 0.5230491346 TCL: atom 1: phi = 0.51176606194 TCL: Center of mass = 18.7637154259 -1.23938586451 0.523242821547 TCL: atom 1: phi = 0.512699616033 TCL: Center of mass = 18.7650127789 -1.23931520769 0.523455618956 TCL: atom 1: phi = 0.513486192546 TCL: Center of mass = 18.7662965573 -1.23930147564 0.523651373672 TCL: atom 1: phi = 0.514289855036 TCL: Center of mass = 18.7675755636 -1.23930207414 0.523785980076 TCL: atom 1: phi = 0.514941500444 TCL: Center of mass = 18.768892241 -1.23933971262 0.523856245383 TCL: atom 1: phi = 0.515648452049 TCL: Center of mass = 18.7702417286 -1.23934207774 0.523864578078 TCL: atom 1: phi = 0.516250617978 TCL: Center of mass = 18.7716418909 -1.2393593542 0.523849293141 TCL: atom 1: phi = 0.51695665896 TCL: Center of mass = 18.7730528106 -1.23934546839 0.523809518912 TCL: atom 1: phi = 0.517579478773 TCL: Center of mass = 18.7744818903 -1.239355558 0.523780031245 TCL: atom 1: phi = 0.518287809637 TCL: Center of mass = 18.7758875415 -1.23936644901 0.523760238356 TCL: atom 1: phi = 0.518883022043 TCL: Center of mass = 18.7772851626 -1.23939914046 0.523743468934 TCL: atom 1: phi = 0.519506984011 TCL: Center of mass = 18.7786482321 -1.23944545742 0.523724572581 TCL: atom 1: phi = 0.519938172413 TCL: Center of mass = 18.7799972043 -1.23954636721 0.523709458297 TCL: atom 1: phi = 0.520357967074 TCL: Center of mass = 18.7813443756 -1.23966018847 0.523669000058 TCL: atom 1: phi = 0.520603364858 TCL: Center of mass = 18.7827038192 -1.23978422964 0.523582836098 TCL: atom 1: phi = 0.52083768787 TCL: Center of mass = 18.7840695465 -1.2398789737 0.523434308724 TCL: atom 1: phi = 0.520915239977 TCL: Center of mass = 18.7854457042 -1.23994625499 0.523259340086 TCL: atom 1: phi = 0.521080087695 TCL: Center of mass = 18.7868073629 -1.23997094799 0.52305437462 TCL: atom 1: phi = 0.521173508702 TCL: Center of mass = 18.7881830803 -1.23996679347 0.522845477699 TCL: atom 1: phi = 0.521396643242 TCL: Center of mass = 18.7895189266 -1.23990982759 0.522645466293 TCL: atom 1: phi = 0.52149567511 TCL: Center of mass = 18.7908398603 -1.23985054027 0.522448206948 TCL: atom 1: phi = 0.521571499426 TCL: Center of mass = 18.7921102017 -1.23978236674 0.522288657878 TCL: atom 1: phi = 0.521457597752 TCL: Center of mass = 18.7933757718 -1.23970307246 0.522153598729 TCL: atom 1: phi = 0.521296312136 TCL: Center of mass = 18.7946363435 -1.23958852432 0.521999606375 TCL: atom 1: phi = 0.520901966636 TCL: Center of mass = 18.7959255339 -1.23944007208 0.521843452795 TCL: atom 1: phi = 0.520522908013 TCL: Center of mass = 18.7972311656 -1.23923895984 0.521665518181 TCL: atom 1: phi = 0.519991007708 TCL: Center of mass = 18.798568796 -1.23901501032 0.521483145664 TCL: atom 1: phi = 0.519551683978 TCL: Center of mass = 18.7999395351 -1.23875673343 0.521286075824 TCL: atom 1: phi = 0.519132846903 WRITING COORDINATES TO DCD FILE AT STEP 13600 WRITING COORDINATES TO RESTART FILE AT STEP 13600 FINISHED WRITING RESTART COORDINATES TIMING: 13600 CPU: 727.073, 0.0538518/step Wall: 868.61, 0.0637704/step, 0.11337 hours remaining, 13612 kB of memory in use. ENERGY: 13600 3442.4560 2491.1489 402.5554 38.6716 -44789.6582 4177.2771 0.0000 0.0000 9916.8057 -24320.7436 293.9745 -24172.3779 -24179.2126 292.1226 1683.2384 -697.8967 125000.0000 -625.1860 -623.0856 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13600 WRITING VELOCITIES TO RESTART FILE AT STEP 13600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 18.8013426204 -1.23851242888 0.521110905081 TCL: atom 1: phi = 0.518883134938 TCL: Center of mass = 18.802762694 -1.23827980124 0.520956893874 TCL: atom 1: phi = 0.518646623937 TCL: Center of mass = 18.8042161713 -1.23805694663 0.520817653082 TCL: atom 1: phi = 0.518473902144 TCL: Center of mass = 18.8056852292 -1.2378573071 0.52068112921 TCL: atom 1: phi = 0.518230707433 TCL: Center of mass = 18.8071695217 -1.2377112595 0.520563992501 TCL: atom 1: phi = 0.517985965131 TCL: Center of mass = 18.8086674354 -1.23761337834 0.520446183806 TCL: atom 1: phi = 0.517667669522 TCL: Center of mass = 18.8102021425 -1.23755534585 0.520343550561 TCL: atom 1: phi = 0.517440976939 TCL: Center of mass = 18.8117709831 -1.23750758533 0.52024055625 TCL: atom 1: phi = 0.517278962959 TCL: Center of mass = 18.8133748617 -1.23748221118 0.520142636934 TCL: atom 1: phi = 0.517366525369 TCL: Center of mass = 18.815002267 -1.23745470262 0.52005690577 TCL: atom 1: phi = 0.517632751751 TCL: Center of mass = 18.8166386531 -1.23743804732 0.520000144847 TCL: atom 1: phi = 0.518192662543 TCL: Center of mass = 18.8182498458 -1.23743819016 0.519974034294 TCL: atom 1: phi = 0.518899858114 TCL: Center of mass = 18.8198961581 -1.23747564754 0.519959647508 TCL: atom 1: phi = 0.519804594981 TCL: Center of mass = 18.8215101246 -1.2375269655 0.519925507496 TCL: atom 1: phi = 0.520726374882 TCL: Center of mass = 18.8231195248 -1.23761056198 0.519900389658 TCL: atom 1: phi = 0.521733639592 TCL: Center of mass = 18.8246969571 -1.23770855805 0.519882716508 TCL: atom 1: phi = 0.522671556943 TCL: Center of mass = 18.8262542732 -1.23782031065 0.51988542435 TCL: atom 1: phi = 0.523653744267 TCL: Center of mass = 18.8277652696 -1.23789823903 0.519922230891 TCL: atom 1: phi = 0.524626452441 TCL: Center of mass = 18.8292502543 -1.23797272935 0.519984731767 TCL: atom 1: phi = 0.525742416481 TCL: Center of mass = 18.830698286 -1.23802999737 0.520067067676 TCL: atom 1: phi = 0.526863201909 TCL: Center of mass = 18.8321158556 -1.23807228915 0.520176339654 TCL: atom 1: phi = 0.528103839823 TCL: Center of mass = 18.833521685 -1.23808454984 0.520281982395 TCL: atom 1: phi = 0.5293052451 TCL: Center of mass = 18.8349300026 -1.23807634703 0.520391073893 TCL: atom 1: phi = 0.530502227673 TCL: Center of mass = 18.8363302482 -1.23806860594 0.520468751511 TCL: atom 1: phi = 0.531503401318 TCL: Center of mass = 18.8377319263 -1.23805495341 0.520538036399 TCL: atom 1: phi = 0.5323483437 TCL: Center of mass = 18.8391398895 -1.23802712443 0.520568587298 TCL: atom 1: phi = 0.532861080016 TCL: Center of mass = 18.8405754816 -1.23798205571 0.520607176732 TCL: atom 1: phi = 0.533217942445 TCL: Center of mass = 18.8420000649 -1.2378944928 0.520642471198 TCL: atom 1: phi = 0.533351025653 TCL: Center of mass = 18.8434264982 -1.23779026849 0.520705098198 TCL: atom 1: phi = 0.53342983215 TCL: Center of mass = 18.8448381702 -1.23767209041 0.520796773137 TCL: atom 1: phi = 0.533309208622 TCL: Center of mass = 18.8462556918 -1.23755053936 0.520907788619 TCL: atom 1: phi = 0.533269311519 TCL: Center of mass = 18.8476766118 -1.23740228877 0.521003158211 TCL: atom 1: phi = 0.5331912361 TCL: Center of mass = 18.8491320315 -1.23724791795 0.521074940947 TCL: atom 1: phi = 0.533189030343 TCL: Center of mass = 18.8506224258 -1.23706671109 0.521106869324 TCL: atom 1: phi = 0.533092705423 TCL: Center of mass = 18.8521675297 -1.23688683756 0.521097205435 TCL: atom 1: phi = 0.533021255171 TCL: Center of mass = 18.8537397528 -1.23668125935 0.521027634976 TCL: atom 1: phi = 0.532849185599 TCL: Center of mass = 18.8553519234 -1.23648278248 0.52092462886 TCL: atom 1: phi = 0.532760376822 TCL: Center of mass = 18.8570190302 -1.2362635583 0.52081667197 TCL: atom 1: phi = 0.532669731876 TCL: Center of mass = 18.858718275 -1.23606411649 0.520733234632 TCL: atom 1: phi = 0.532805325083 TCL: Center of mass = 18.8604061588 -1.23584902064 0.520691778508 TCL: atom 1: phi = 0.533094770388 TCL: Center of mass = 18.8620738954 -1.23565096113 0.520698484404 TCL: atom 1: phi = 0.533637252816 TCL: Center of mass = 18.8637319842 -1.2354646106 0.520724714151 TCL: atom 1: phi = 0.534342083097 TCL: Center of mass = 18.8653871648 -1.235280241 0.520757478451 TCL: atom 1: phi = 0.535214799135 TCL: Center of mass = 18.8670439071 -1.23510563147 0.520777031065 TCL: atom 1: phi = 0.536075131722 TCL: Center of mass = 18.8687358732 -1.23494390822 0.520767461186 TCL: atom 1: phi = 0.537002511476 TCL: Center of mass = 18.8704585348 -1.23474833531 0.520716687321 TCL: atom 1: phi = 0.537742984988 TCL: Center of mass = 18.8721956302 -1.23456807494 0.520645697306 TCL: atom 1: phi = 0.538430708164 TCL: Center of mass = 18.8739233213 -1.23439310121 0.520574947754 TCL: atom 1: phi = 0.538925989859 TCL: Center of mass = 18.8756475453 -1.23425308655 0.52052866487 TCL: atom 1: phi = 0.539339152606 TCL: Center of mass = 18.8773259655 -1.23411072422 0.520488918909 TCL: atom 1: phi = 0.539535159002 TCL: Center of mass = 18.8789808697 -1.23401798777 0.52053002992 TCL: atom 1: phi = 0.53969886148 TCL: Center of mass = 18.8806207243 -1.23394826877 0.520605848804 TCL: atom 1: phi = 0.53967183694 TCL: Center of mass = 18.882246087 -1.23391680641 0.520702583255 TCL: atom 1: phi = 0.539542094855 TCL: Center of mass = 18.8838755459 -1.23388915847 0.520777746996 TCL: atom 1: phi = 0.53910081834 TCL: Center of mass = 18.8855378881 -1.23386609789 0.520800152915 TCL: atom 1: phi = 0.538483593333 TCL: Center of mass = 18.8872200001 -1.23382698639 0.520740139066 TCL: atom 1: phi = 0.537527690579 TCL: Center of mass = 18.8889172864 -1.23379580474 0.520623050428 TCL: atom 1: phi = 0.536381949646 TCL: Center of mass = 18.8906085133 -1.23374068108 0.520450423792 TCL: atom 1: phi = 0.534938357548 TCL: Center of mass = 18.8922990842 -1.2336946175 0.520285262236 TCL: atom 1: phi = 0.533393937618 TCL: Center of mass = 18.8939458007 -1.23365530245 0.520129347829 TCL: atom 1: phi = 0.531762683368 TCL: Center of mass = 18.8955539507 -1.23365871034 0.520020054579 TCL: atom 1: phi = 0.530199118019 TCL: Center of mass = 18.8971312913 -1.23369455063 0.519920310224 TCL: atom 1: phi = 0.528579570687 TCL: Center of mass = 18.8987198637 -1.23377620806 0.51984037536 TCL: atom 1: phi = 0.527055886027 TCL: Center of mass = 18.9002896213 -1.23387615303 0.519766652925 TCL: atom 1: phi = 0.52550913617 TCL: Center of mass = 18.9018501201 -1.23399381883 0.519666386051 TCL: atom 1: phi = 0.523994968125 TCL: Center of mass = 18.9034085504 -1.23411081425 0.519527420102 TCL: atom 1: phi = 0.522402394369 TCL: Center of mass = 18.9049888489 -1.23424482184 0.519375461371 TCL: atom 1: phi = 0.520843608544 TCL: Center of mass = 18.9065608807 -1.2343798553 0.519183713175 TCL: atom 1: phi = 0.519266690419 TCL: Center of mass = 18.9081283245 -1.23455008442 0.518980766432 TCL: atom 1: phi = 0.517788332853 TCL: Center of mass = 18.9096671255 -1.23473157008 0.518757425994 TCL: atom 1: phi = 0.516349378757 TCL: Center of mass = 18.9111821529 -1.23494411801 0.518571828495 TCL: atom 1: phi = 0.515138889984 TCL: Center of mass = 18.9126505747 -1.23518294803 0.518405242218 TCL: atom 1: phi = 0.514111942003 TCL: Center of mass = 18.9141203567 -1.23546001046 0.518262311177 TCL: atom 1: phi = 0.513348761 TCL: Center of mass = 18.9155961864 -1.23572617403 0.518137763051 TCL: atom 1: phi = 0.512765715568 TCL: Center of mass = 18.9170897436 -1.23600299508 0.518031531982 TCL: atom 1: phi = 0.512441266484 TCL: Center of mass = 18.9186097065 -1.23625340535 0.517896068755 TCL: atom 1: phi = 0.512242458643 TCL: Center of mass = 18.9201491624 -1.23647850078 0.517750749857 TCL: atom 1: phi = 0.512232143758 TCL: Center of mass = 18.9216860485 -1.23666708318 0.517590203108 TCL: atom 1: phi = 0.512293436591 TCL: Center of mass = 18.9232470595 -1.236826808 0.51742443186 TCL: atom 1: phi = 0.512590873747 TCL: Center of mass = 18.9248338324 -1.23693822896 0.517231806362 TCL: atom 1: phi = 0.513051015523 TCL: Center of mass = 18.926422557 -1.23704497466 0.517019776837 TCL: atom 1: phi = 0.513774767291 TCL: Center of mass = 18.9280274254 -1.23715082152 0.516785688296 TCL: atom 1: phi = 0.51470747104 TCL: Center of mass = 18.929621536 -1.23729726475 0.516582062011 TCL: atom 1: phi = 0.515918107155 TCL: Center of mass = 18.9312278087 -1.23743115606 0.51638347521 TCL: atom 1: phi = 0.517233822481 TCL: Center of mass = 18.9328449386 -1.23757588316 0.516203540572 TCL: atom 1: phi = 0.518605031832 TCL: Center of mass = 18.9344689614 -1.23770553217 0.516027743823 TCL: atom 1: phi = 0.51982789906 TCL: Center of mass = 18.9361030255 -1.23782557137 0.515872793573 TCL: atom 1: phi = 0.520974236348 TCL: Center of mass = 18.9377262132 -1.23791886972 0.515727442073 TCL: atom 1: phi = 0.521905177414 TCL: Center of mass = 18.9393522277 -1.23800404664 0.515590299154 TCL: atom 1: phi = 0.522658697187 TCL: Center of mass = 18.9409755847 -1.23805397133 0.515418195409 TCL: atom 1: phi = 0.523178428133 TCL: Center of mass = 18.9425765072 -1.238134336 0.51520952402 TCL: atom 1: phi = 0.523601627206 TCL: Center of mass = 18.9441873104 -1.23822382242 0.514975090918 TCL: atom 1: phi = 0.523867493167 TCL: Center of mass = 18.9457978239 -1.23835955472 0.514714333905 TCL: atom 1: phi = 0.524114251914 TCL: Center of mass = 18.9474114302 -1.23850839535 0.51442492264 TCL: atom 1: phi = 0.524242898702 TCL: Center of mass = 18.949026799 -1.23870293032 0.514159550608 TCL: atom 1: phi = 0.52433960576 TCL: Center of mass = 18.950630139 -1.238914486 0.513917487371 TCL: atom 1: phi = 0.524253994111 TCL: Center of mass = 18.9522185534 -1.2391429894 0.513726991075 TCL: atom 1: phi = 0.524142034831 TCL: Center of mass = 18.9537982848 -1.23936968527 0.5135705816 TCL: atom 1: phi = 0.523912645215 TCL: Center of mass = 18.9553809392 -1.23960065244 0.513447126747 TCL: atom 1: phi = 0.523685812952 TCL: Center of mass = 18.95695956 -1.23980310784 0.51330957753 TCL: atom 1: phi = 0.523386345726 WRITING COORDINATES TO DCD FILE AT STEP 13700 WRITING COORDINATES TO RESTART FILE AT STEP 13700 FINISHED WRITING RESTART COORDINATES TIMING: 13700 CPU: 732.474, 0.0540018/step Wall: 874.967, 0.0635684/step, 0.111245 hours remaining, 13612 kB of memory in use. ENERGY: 13700 3418.7311 2543.2668 411.0633 40.0454 -44774.0728 4134.9533 0.0000 0.0000 9892.0892 -24333.9237 293.2418 -24185.7404 -24192.6995 293.7862 1886.0813 -678.9578 125000.0000 -710.6064 -707.4807 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13700 WRITING VELOCITIES TO RESTART FILE AT STEP 13700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 18.9585539325 -1.24002113393 0.513146182006 TCL: atom 1: phi = 0.523169514947 TCL: Center of mass = 18.9601706715 -1.24022320602 0.512955527366 TCL: atom 1: phi = 0.522989057105 TCL: Center of mass = 18.9618308427 -1.24041879248 0.51273089448 TCL: atom 1: phi = 0.522997674231 TCL: Center of mass = 18.9635025623 -1.24061009187 0.5124647563 TCL: atom 1: phi = 0.523050113354 TCL: Center of mass = 18.9651877763 -1.24081656663 0.512196306153 TCL: atom 1: phi = 0.523197722728 TCL: Center of mass = 18.966884326 -1.24101162944 0.511962019583 TCL: atom 1: phi = 0.523270094189 TCL: Center of mass = 18.9685881625 -1.24122580263 0.511762482648 TCL: atom 1: phi = 0.52337277653 TCL: Center of mass = 18.9702623835 -1.24141583528 0.511604327627 TCL: atom 1: phi = 0.523323591853 TCL: Center of mass = 18.9719136097 -1.24160831134 0.511495037826 TCL: atom 1: phi = 0.523248465066 TCL: Center of mass = 18.9735418624 -1.24177814993 0.511413181494 TCL: atom 1: phi = 0.52304809213 TCL: Center of mass = 18.9751736319 -1.24194375624 0.511344505545 TCL: atom 1: phi = 0.522911036923 TCL: Center of mass = 18.9768083106 -1.24207626493 0.511241154904 TCL: atom 1: phi = 0.522720059587 TCL: Center of mass = 18.9784419673 -1.24221436267 0.511083805588 TCL: atom 1: phi = 0.522630320493 TCL: Center of mass = 18.9800835002 -1.24233491387 0.510850693055 TCL: atom 1: phi = 0.522521397189 TCL: Center of mass = 18.9817373843 -1.24246621001 0.51056263215 TCL: atom 1: phi = 0.522539953575 TCL: Center of mass = 18.9833725739 -1.24257040815 0.510235761447 TCL: atom 1: phi = 0.522505290736 TCL: Center of mass = 18.9849777072 -1.24269383745 0.50991617155 TCL: atom 1: phi = 0.522488576702 TCL: Center of mass = 18.9865530705 -1.24282108583 0.509600722321 TCL: atom 1: phi = 0.52232968486 TCL: Center of mass = 18.988088075 -1.24297517864 0.509339118616 TCL: atom 1: phi = 0.522160204009 TCL: Center of mass = 18.989578672 -1.24313147337 0.509080535718 TCL: atom 1: phi = 0.521903317048 TCL: Center of mass = 18.9910712832 -1.24331939892 0.508826165643 TCL: atom 1: phi = 0.521695647774 TCL: Center of mass = 18.9925387586 -1.2434886773 0.508523109529 TCL: atom 1: phi = 0.521497517573 TCL: Center of mass = 18.9940499302 -1.24368284256 0.50814781402 TCL: atom 1: phi = 0.521483816694 TCL: Center of mass = 18.9956146708 -1.24388329928 0.507675745124 TCL: atom 1: phi = 0.521533885407 TCL: Center of mass = 18.9972173508 -1.24409216713 0.507148536402 TCL: atom 1: phi = 0.521683788462 TCL: Center of mass = 18.9988484531 -1.24432201962 0.506575573313 TCL: atom 1: phi = 0.521817277573 TCL: Center of mass = 19.0005192065 -1.24457845678 0.506007573762 TCL: atom 1: phi = 0.521997288615 TCL: Center of mass = 19.0021616915 -1.24485872289 0.505471946905 TCL: atom 1: phi = 0.522116088118 TCL: Center of mass = 19.0037957663 -1.24515288508 0.505025263313 TCL: atom 1: phi = 0.52225299936 TCL: Center of mass = 19.0054141472 -1.24546926341 0.504661947771 TCL: atom 1: phi = 0.522358245668 TCL: Center of mass = 19.0070218111 -1.24580710813 0.504381174148 TCL: atom 1: phi = 0.522480647148 TCL: Center of mass = 19.0086115103 -1.24613021782 0.50412654243 TCL: atom 1: phi = 0.52253935768 TCL: Center of mass = 19.0102093377 -1.24645061579 0.503882409018 TCL: atom 1: phi = 0.522604598942 TCL: Center of mass = 19.0118286074 -1.24672515127 0.503578032739 TCL: atom 1: phi = 0.522551160975 TCL: Center of mass = 19.0134784108 -1.24696984332 0.503229865707 TCL: atom 1: phi = 0.522468461248 TCL: Center of mass = 19.0151147511 -1.24717933363 0.50280946008 TCL: atom 1: phi = 0.52224254607 TCL: Center of mass = 19.0167571586 -1.24738105299 0.502367425691 TCL: atom 1: phi = 0.521941979408 TCL: Center of mass = 19.0183697221 -1.24757548982 0.501906408349 TCL: atom 1: phi = 0.521548706429 TCL: Center of mass = 19.019962583 -1.2477966318 0.501481374132 TCL: atom 1: phi = 0.521164284797 TCL: Center of mass = 19.021512888 -1.24800655473 0.501106259232 TCL: atom 1: phi = 0.520760505938 TCL: Center of mass = 19.0230488281 -1.24825644215 0.500774443827 TCL: atom 1: phi = 0.520482311154 TCL: Center of mass = 19.0245570834 -1.24845779427 0.500447813241 TCL: atom 1: phi = 0.520294823991 TCL: Center of mass = 19.0260829115 -1.24867058284 0.500135605667 TCL: atom 1: phi = 0.520352050095 TCL: Center of mass = 19.0276176918 -1.24885917828 0.49977942582 TCL: atom 1: phi = 0.5205726364 TCL: Center of mass = 19.0291817267 -1.24904792484 0.499375113175 TCL: atom 1: phi = 0.521006388694 TCL: Center of mass = 19.0307698474 -1.24921719547 0.498894157801 TCL: atom 1: phi = 0.521613167445 TCL: Center of mass = 19.0323857171 -1.24939987572 0.498386977182 TCL: atom 1: phi = 0.522380842863 TCL: Center of mass = 19.0340061659 -1.24957215749 0.497882316218 TCL: atom 1: phi = 0.523221632303 TCL: Center of mass = 19.0356473306 -1.24977901575 0.497413702065 TCL: atom 1: phi = 0.524105026683 TCL: Center of mass = 19.0372799158 -1.25001898537 0.496967318241 TCL: atom 1: phi = 0.525017291716 TCL: Center of mass = 19.0389339678 -1.2503210629 0.496599986015 TCL: atom 1: phi = 0.525992096594 TCL: Center of mass = 19.0405792999 -1.25064270638 0.496283360516 TCL: atom 1: phi = 0.52696039511 TCL: Center of mass = 19.0422314277 -1.25097596263 0.496038896613 TCL: atom 1: phi = 0.527966267005 TCL: Center of mass = 19.0438936567 -1.25128551432 0.495827149851 TCL: atom 1: phi = 0.528849834244 TCL: Center of mass = 19.0455822671 -1.25157931781 0.495639282193 TCL: atom 1: phi = 0.529716981908 TCL: Center of mass = 19.0472719776 -1.25183636193 0.495436253675 TCL: atom 1: phi = 0.530474614078 TCL: Center of mass = 19.0489893278 -1.25207469094 0.495267200961 TCL: atom 1: phi = 0.531194631685 TCL: Center of mass = 19.0506907347 -1.25226092191 0.495118286686 TCL: atom 1: phi = 0.531666244937 TCL: Center of mass = 19.0524196047 -1.25240883486 0.494976065728 TCL: atom 1: phi = 0.532065351551 TCL: Center of mass = 19.0541155397 -1.25254758844 0.494861594644 TCL: atom 1: phi = 0.532329937324 TCL: Center of mass = 19.0558174297 -1.25268301572 0.494793014873 TCL: atom 1: phi = 0.532608011298 TCL: Center of mass = 19.05749219 -1.25282615898 0.494742689781 TCL: atom 1: phi = 0.532807371389 TCL: Center of mass = 19.0591463571 -1.25295721865 0.494723050474 TCL: atom 1: phi = 0.533109120395 TCL: Center of mass = 19.06076562 -1.25305223283 0.494703490456 TCL: atom 1: phi = 0.533431881214 TCL: Center of mass = 19.0623976535 -1.25311052955 0.49468329406 TCL: atom 1: phi = 0.533915747577 TCL: Center of mass = 19.0639985974 -1.25312798935 0.494651682782 TCL: atom 1: phi = 0.53438521075 TCL: Center of mass = 19.0656105998 -1.25310941906 0.494605686656 TCL: atom 1: phi = 0.534945851169 TCL: Center of mass = 19.0672121688 -1.25306541595 0.494511946173 TCL: atom 1: phi = 0.5354549766 TCL: Center of mass = 19.0688203935 -1.25302836027 0.494381735018 TCL: atom 1: phi = 0.536032194041 TCL: Center of mass = 19.0704159187 -1.25301617337 0.494203834885 TCL: atom 1: phi = 0.536503004804 TCL: Center of mass = 19.0720209409 -1.25306479694 0.494002583145 TCL: atom 1: phi = 0.537083968824 TCL: Center of mass = 19.0736554103 -1.25315799563 0.49377031647 TCL: atom 1: phi = 0.537563057449 TCL: Center of mass = 19.0753220417 -1.25328069802 0.49353275325 TCL: atom 1: phi = 0.538143639014 TCL: Center of mass = 19.0769984152 -1.2533987143 0.493296577008 TCL: atom 1: phi = 0.538580887759 TCL: Center of mass = 19.078701693 -1.25353842909 0.49307935877 TCL: atom 1: phi = 0.539048612774 TCL: Center of mass = 19.0803826898 -1.25364994483 0.492865031164 TCL: atom 1: phi = 0.53929581226 TCL: Center of mass = 19.0820548507 -1.25374826926 0.492676059401 TCL: atom 1: phi = 0.539568849649 TCL: Center of mass = 19.0837125434 -1.25381812082 0.492498779243 TCL: atom 1: phi = 0.539550773386 TCL: Center of mass = 19.0853753477 -1.25388840655 0.492329850796 TCL: atom 1: phi = 0.539450851162 TCL: Center of mass = 19.0870346084 -1.25397046976 0.492117122696 TCL: atom 1: phi = 0.539032719983 TCL: Center of mass = 19.0886989748 -1.25407393028 0.49187852191 TCL: atom 1: phi = 0.538557390969 TCL: Center of mass = 19.0903735444 -1.25418871968 0.491604446646 TCL: atom 1: phi = 0.537789358385 TCL: Center of mass = 19.0920566196 -1.25429800153 0.491316420893 TCL: atom 1: phi = 0.537041663704 TCL: Center of mass = 19.0937437931 -1.25439326958 0.490995169724 TCL: atom 1: phi = 0.536071712971 TCL: Center of mass = 19.0954403055 -1.2544988179 0.490696488972 TCL: atom 1: phi = 0.535128054795 TCL: Center of mass = 19.0970921413 -1.25458693713 0.49041019586 TCL: atom 1: phi = 0.53398129648 TCL: Center of mass = 19.0987352452 -1.25467006793 0.490153739935 TCL: atom 1: phi = 0.532829416755 TCL: Center of mass = 19.1003642076 -1.25473592774 0.489910780446 TCL: atom 1: phi = 0.531442817932 TCL: Center of mass = 19.1020055629 -1.25477065811 0.489700404417 TCL: atom 1: phi = 0.530031813871 TCL: Center of mass = 19.1036743912 -1.25483571423 0.489456786213 TCL: atom 1: phi = 0.528470905372 TCL: Center of mass = 19.1053897249 -1.25490256843 0.489182546377 TCL: atom 1: phi = 0.527017863932 TCL: Center of mass = 19.1071567408 -1.25500697331 0.488848097836 TCL: atom 1: phi = 0.525501319876 TCL: Center of mass = 19.1089939131 -1.25513358013 0.488480148337 TCL: atom 1: phi = 0.524093528651 TCL: Center of mass = 19.110864779 -1.25528402079 0.488063604944 TCL: atom 1: phi = 0.522703472335 TCL: Center of mass = 19.1127752122 -1.25546233895 0.487626425922 TCL: atom 1: phi = 0.52148547757 TCL: Center of mass = 19.114695309 -1.25565080423 0.487193727614 TCL: atom 1: phi = 0.520309411173 TCL: Center of mass = 19.1166128511 -1.2558528216 0.486803739622 TCL: atom 1: phi = 0.519357793449 TCL: Center of mass = 19.1185305864 -1.25606256978 0.486448158371 TCL: atom 1: phi = 0.51847310189 TCL: Center of mass = 19.1204616738 -1.25631348191 0.486156395288 TCL: atom 1: phi = 0.517807274609 TCL: Center of mass = 19.1223892239 -1.25656451673 0.485878666019 TCL: atom 1: phi = 0.517227449018 WRITING COORDINATES TO DCD FILE AT STEP 13800 WRITING COORDINATES TO RESTART FILE AT STEP 13800 FINISHED WRITING RESTART COORDINATES TIMING: 13800 CPU: 737.851, 0.0537718/step Wall: 881.357, 0.0639013/step, 0.110052 hours remaining, 13612 kB of memory in use. ENERGY: 13800 3423.1441 2463.1923 397.2919 37.7366 -44660.3884 4098.6918 0.0000 0.0000 9869.7433 -24370.5884 292.5793 -24224.2949 -24224.6840 292.5078 1859.5982 -674.2106 125000.0000 -617.1298 -613.7929 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13800 WRITING VELOCITIES TO RESTART FILE AT STEP 13800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.1243395216 -1.2568407793 0.485600846985 TCL: atom 1: phi = 0.516897280459 TCL: Center of mass = 19.126334166 -1.25710713959 0.485287599023 TCL: atom 1: phi = 0.516700348578 TCL: Center of mass = 19.1283592497 -1.25737223973 0.484948935266 TCL: atom 1: phi = 0.51675617697 TCL: Center of mass = 19.1303914517 -1.25762927964 0.484569183575 TCL: atom 1: phi = 0.516934525075 TCL: Center of mass = 19.1324172451 -1.25789290631 0.484158646045 TCL: atom 1: phi = 0.517290724469 TCL: Center of mass = 19.1344140748 -1.25815088413 0.483733496861 TCL: atom 1: phi = 0.517725790174 TCL: Center of mass = 19.1363816267 -1.25843154743 0.483362429946 TCL: atom 1: phi = 0.518381149878 TCL: Center of mass = 19.1382976296 -1.25871875298 0.483007065473 TCL: atom 1: phi = 0.519051541804 TCL: Center of mass = 19.1401688237 -1.25902641349 0.482718831564 TCL: atom 1: phi = 0.519924187696 TCL: Center of mass = 19.1419991686 -1.25933302458 0.482470630566 TCL: atom 1: phi = 0.520875973988 TCL: Center of mass = 19.1438390299 -1.25963527868 0.482216089751 TCL: atom 1: phi = 0.522041048533 TCL: Center of mass = 19.1456809601 -1.25991601582 0.481928729006 TCL: atom 1: phi = 0.52324425629 TCL: Center of mass = 19.1475451594 -1.26018877487 0.481601115419 TCL: atom 1: phi = 0.524590216635 TCL: Center of mass = 19.1494239431 -1.26042693258 0.48118345934 TCL: atom 1: phi = 0.525859745492 TCL: Center of mass = 19.1513317936 -1.26066229415 0.480728808812 TCL: atom 1: phi = 0.527212103644 TCL: Center of mass = 19.1532331641 -1.26090527145 0.48021855804 TCL: atom 1: phi = 0.528371827098 TCL: Center of mass = 19.1551038795 -1.26115821695 0.479716815136 TCL: atom 1: phi = 0.529513109649 TCL: Center of mass = 19.1569666713 -1.26143176394 0.479250969213 TCL: atom 1: phi = 0.530417444846 TCL: Center of mass = 19.1588168745 -1.2617140688 0.47885333888 TCL: atom 1: phi = 0.531313869065 TCL: Center of mass = 19.1606560111 -1.26199945489 0.478511065209 TCL: atom 1: phi = 0.531936390746 TCL: Center of mass = 19.1625232937 -1.26229892591 0.478202713081 TCL: atom 1: phi = 0.532549963184 TCL: Center of mass = 19.1644151193 -1.26257697458 0.477916645601 TCL: atom 1: phi = 0.532909430055 TCL: Center of mass = 19.1663419791 -1.2628413121 0.477640546763 TCL: atom 1: phi = 0.533250031013 TCL: Center of mass = 19.1682742156 -1.26308204226 0.477366094331 TCL: atom 1: phi = 0.533270402725 TCL: Center of mass = 19.17023238 -1.26330607408 0.477072308031 TCL: atom 1: phi = 0.533245478948 TCL: Center of mass = 19.1721711327 -1.26351295544 0.476790320063 TCL: atom 1: phi = 0.532929486432 TCL: Center of mass = 19.1740887521 -1.26374464875 0.47652901137 TCL: atom 1: phi = 0.532623280763 TCL: Center of mass = 19.1759679413 -1.26399862663 0.476306330649 TCL: atom 1: phi = 0.532118962849 TCL: Center of mass = 19.1778207477 -1.26429979829 0.476121982851 TCL: atom 1: phi = 0.531704592348 TCL: Center of mass = 19.1796333419 -1.26462497617 0.475975118267 TCL: atom 1: phi = 0.531197559122 TCL: Center of mass = 19.1814453988 -1.26497562115 0.475853525384 TCL: atom 1: phi = 0.530868509827 TCL: Center of mass = 19.1832290807 -1.2653210644 0.475735361637 TCL: atom 1: phi = 0.530521401682 TCL: Center of mass = 19.1850184188 -1.26564499646 0.47560481263 TCL: atom 1: phi = 0.53035355435 TCL: Center of mass = 19.1867867458 -1.2659463673 0.475430644024 TCL: atom 1: phi = 0.530094100613 TCL: Center of mass = 19.1885606942 -1.26621629132 0.475197013097 TCL: atom 1: phi = 0.529966461387 TCL: Center of mass = 19.1903003383 -1.26647981072 0.474903347048 TCL: atom 1: phi = 0.529709756604 TCL: Center of mass = 19.1920159418 -1.26676968798 0.474594806604 TCL: atom 1: phi = 0.529535854503 TCL: Center of mass = 19.1936768783 -1.26710544788 0.474270261122 TCL: atom 1: phi = 0.529214101895 TCL: Center of mass = 19.1953073242 -1.26745071024 0.473943440392 TCL: atom 1: phi = 0.528995695343 TCL: Center of mass = 19.1968952227 -1.26781946844 0.473638706958 TCL: atom 1: phi = 0.528681908332 TCL: Center of mass = 19.1984844841 -1.26820710226 0.473357986403 TCL: atom 1: phi = 0.528591287674 TCL: Center of mass = 19.2000425388 -1.26859620116 0.47311003296 TCL: atom 1: phi = 0.528444489844 TCL: Center of mass = 19.2016057687 -1.26897140024 0.472884325451 TCL: atom 1: phi = 0.528501404071 TCL: Center of mass = 19.2031525103 -1.26931232023 0.47266104422 TCL: atom 1: phi = 0.528477145335 TCL: Center of mass = 19.2046927777 -1.26960293052 0.472477939701 TCL: atom 1: phi = 0.528520664144 TCL: Center of mass = 19.2061854909 -1.26985848816 0.472323396669 TCL: atom 1: phi = 0.528381248344 TCL: Center of mass = 19.2076738579 -1.27010905854 0.472204159346 TCL: atom 1: phi = 0.528265661557 TCL: Center of mass = 19.2091514011 -1.27034250197 0.472133273052 TCL: atom 1: phi = 0.527980969654 TCL: Center of mass = 19.2106281602 -1.27062430906 0.472102936004 TCL: atom 1: phi = 0.527765761835 TCL: Center of mass = 19.212098772 -1.27093700567 0.472101664719 TCL: atom 1: phi = 0.52748724008 TCL: Center of mass = 19.2135797996 -1.27128486621 0.472108284371 TCL: atom 1: phi = 0.527473080467 TCL: Center of mass = 19.2150820174 -1.27164037262 0.472125544021 TCL: atom 1: phi = 0.527437756585 TCL: Center of mass = 19.2166038053 -1.27200602117 0.472155442444 TCL: atom 1: phi = 0.527621559613 TCL: Center of mass = 19.2181290348 -1.27235101337 0.472184294803 TCL: atom 1: phi = 0.527704154562 TCL: Center of mass = 19.2196790262 -1.2726711571 0.472233357287 TCL: atom 1: phi = 0.527897976876 TCL: Center of mass = 19.2212378461 -1.2729479858 0.47227392992 TCL: atom 1: phi = 0.527962816804 TCL: Center of mass = 19.2228178872 -1.27322721459 0.472326378414 TCL: atom 1: phi = 0.528071450261 TCL: Center of mass = 19.2244033196 -1.27349767725 0.472349261156 TCL: atom 1: phi = 0.5280457727 TCL: Center of mass = 19.225994156 -1.27377760226 0.472365042306 TCL: atom 1: phi = 0.52816298203 TCL: Center of mass = 19.2276010693 -1.27406347363 0.472351755024 TCL: atom 1: phi = 0.52833278013 TCL: Center of mass = 19.2292492752 -1.27437801408 0.472317930769 TCL: atom 1: phi = 0.528710803465 TCL: Center of mass = 19.230902162 -1.27467891057 0.472242435213 TCL: atom 1: phi = 0.529147161162 TCL: Center of mass = 19.2325544197 -1.27499617457 0.472156301151 TCL: atom 1: phi = 0.529742572428 TCL: Center of mass = 19.2341603596 -1.27528612675 0.472071113658 TCL: atom 1: phi = 0.53027282432 TCL: Center of mass = 19.2357255025 -1.27556585234 0.472040521107 TCL: atom 1: phi = 0.530853190186 TCL: Center of mass = 19.237236405 -1.27581401004 0.472042016333 TCL: atom 1: phi = 0.531219411135 TCL: Center of mass = 19.2387051936 -1.27605485193 0.472062218784 TCL: atom 1: phi = 0.531638292775 TCL: Center of mass = 19.2401281368 -1.27629570119 0.472082000599 TCL: atom 1: phi = 0.531875333304 TCL: Center of mass = 19.2415297413 -1.27652049445 0.472080720101 TCL: atom 1: phi = 0.53219601165 TCL: Center of mass = 19.2429064744 -1.27674092342 0.472025986648 TCL: atom 1: phi = 0.532443426445 TCL: Center of mass = 19.2442681775 -1.27696378197 0.471952270845 TCL: atom 1: phi = 0.532835175892 TCL: Center of mass = 19.2456232149 -1.27717676625 0.471841825802 TCL: atom 1: phi = 0.533275463041 TCL: Center of mass = 19.2469740662 -1.2773910721 0.47171283898 TCL: atom 1: phi = 0.533908040757 TCL: Center of mass = 19.2482829415 -1.27760107498 0.471590768603 TCL: atom 1: phi = 0.534595871597 TCL: Center of mass = 19.2495520077 -1.27782355298 0.471492634323 TCL: atom 1: phi = 0.535371296284 TCL: Center of mass = 19.2507785609 -1.27803690319 0.471413210616 TCL: atom 1: phi = 0.536120931464 TCL: Center of mass = 19.2519780106 -1.27825968487 0.471375718694 TCL: atom 1: phi = 0.536901505837 TCL: Center of mass = 19.2531640272 -1.27848727181 0.471343617859 TCL: atom 1: phi = 0.537563763779 TCL: Center of mass = 19.2543572475 -1.27870928101 0.471309056333 TCL: atom 1: phi = 0.538314394453 TCL: Center of mass = 19.2555767871 -1.2789100142 0.471227750555 TCL: atom 1: phi = 0.538962640955 TCL: Center of mass = 19.2568415689 -1.27913177945 0.471111582869 TCL: atom 1: phi = 0.539750197452 TCL: Center of mass = 19.2581495803 -1.27932336675 0.470946673433 TCL: atom 1: phi = 0.540556441146 TCL: Center of mass = 19.259478131 -1.27953200635 0.470765089647 TCL: atom 1: phi = 0.541502542204 TCL: Center of mass = 19.2608212453 -1.27972622507 0.470568205881 TCL: atom 1: phi = 0.542394827521 TCL: Center of mass = 19.2621516898 -1.27993975625 0.470418122284 TCL: atom 1: phi = 0.543358785676 TCL: Center of mass = 19.2634533111 -1.2801586275 0.470305893035 TCL: atom 1: phi = 0.544161121502 TCL: Center of mass = 19.2647252474 -1.28039702388 0.470272855446 TCL: atom 1: phi = 0.544885782864 TCL: Center of mass = 19.2659708077 -1.28063354776 0.470307405858 TCL: atom 1: phi = 0.545456528383 TCL: Center of mass = 19.2672406852 -1.28087903969 0.470396741318 TCL: atom 1: phi = 0.546076637637 TCL: Center of mass = 19.2685054002 -1.281108433 0.470506768014 TCL: atom 1: phi = 0.546599121545 TCL: Center of mass = 19.2698169757 -1.28131904275 0.470609833073 TCL: atom 1: phi = 0.547201292848 TCL: Center of mass = 19.2711541029 -1.28149637976 0.470682999985 TCL: atom 1: phi = 0.547814295843 TCL: Center of mass = 19.2725362542 -1.28166338058 0.470724873429 TCL: atom 1: phi = 0.548611935446 TCL: Center of mass = 19.2739213344 -1.28181387252 0.470720716458 TCL: atom 1: phi = 0.549483930985 TCL: Center of mass = 19.2752835324 -1.28199327017 0.470718991456 TCL: atom 1: phi = 0.550485592157 TCL: Center of mass = 19.2766273252 -1.28217769058 0.470732871821 TCL: atom 1: phi = 0.551476138913 TCL: Center of mass = 19.2779629989 -1.28238892139 0.470806643777 TCL: atom 1: phi = 0.552548583373 TCL: Center of mass = 19.2792773242 -1.28260712732 0.470919422101 TCL: atom 1: phi = 0.553499413253 TCL: Center of mass = 19.2805738432 -1.28283019788 0.471051500436 TCL: atom 1: phi = 0.554511903136 TCL: Center of mass = 19.2818416791 -1.28301471558 0.471189900911 TCL: atom 1: phi = 0.555415006457 WRITING COORDINATES TO DCD FILE AT STEP 13900 WRITING COORDINATES TO RESTART FILE AT STEP 13900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13900 FINISHED WRITING RESTART VELOCITIES TIMING: 13900 CPU: 743.252, 0.0540118/step Wall: 887.758, 0.0640107/step, 0.108463 hours remaining, 13612 kB of memory in use. ENERGY: 13900 3428.4300 2523.0936 398.7434 34.0052 -44815.0617 4123.3191 0.0000 0.0000 9947.6748 -24359.7956 294.8896 -24211.7210 -24218.0446 292.9776 2019.2380 -421.9816 125000.0000 -677.0502 -677.9981 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13900 TCL: Center of mass = 19.2831458693 -1.28316768189 0.471314175082 TCL: atom 1: phi = 0.556343165833 TCL: Center of mass = 19.2844894225 -1.28328582472 0.471417437488 TCL: atom 1: phi = 0.55721475263 TCL: Center of mass = 19.2858700875 -1.28336828054 0.471472827122 TCL: atom 1: phi = 0.558177109916 TCL: Center of mass = 19.2872839316 -1.28344141897 0.471472615528 TCL: atom 1: phi = 0.558999734622 TCL: Center of mass = 19.2887058596 -1.28351818431 0.471454406741 TCL: atom 1: phi = 0.559829921339 TCL: Center of mass = 19.2901153979 -1.2835838158 0.471422686632 TCL: atom 1: phi = 0.560455788592 TCL: Center of mass = 19.2915109733 -1.28367284418 0.471417390272 TCL: atom 1: phi = 0.56099766146 TCL: Center of mass = 19.2928911508 -1.28377753596 0.471443809319 TCL: atom 1: phi = 0.561249415015 TCL: Center of mass = 19.2942681245 -1.28391679238 0.471529927642 TCL: atom 1: phi = 0.561374503293 TCL: Center of mass = 19.2956336842 -1.2840382239 0.471642196078 TCL: atom 1: phi = 0.561263801294 TCL: Center of mass = 19.2970073369 -1.28417043936 0.471789487446 TCL: atom 1: phi = 0.561140113714 TCL: Center of mass = 19.2984051295 -1.28426178329 0.471943163278 TCL: atom 1: phi = 0.560859124628 TCL: Center of mass = 19.2998080661 -1.28432312457 0.472122248059 TCL: atom 1: phi = 0.560626658288 TCL: Center of mass = 19.3011976703 -1.28435809412 0.472283700842 TCL: atom 1: phi = 0.560276512611 TCL: Center of mass = 19.3025994824 -1.28440629993 0.472438211334 TCL: atom 1: phi = 0.560024236631 TCL: Center of mass = 19.3039715647 -1.28446909858 0.472573769125 TCL: atom 1: phi = 0.559676540791 TCL: Center of mass = 19.3053136819 -1.28457034556 0.472698956943 TCL: atom 1: phi = 0.559389778419 TCL: Center of mass = 19.3066166021 -1.28472960238 0.472801906852 TCL: atom 1: phi = 0.558980312726 TCL: Center of mass = 19.3079070485 -1.28493768689 0.472904766115 TCL: atom 1: phi = 0.558672913896 TCL: Center of mass = 19.3091721556 -1.28519332187 0.473002509926 TCL: atom 1: phi = 0.558301608962 TCL: Center of mass = 19.310424842 -1.28543559756 0.473104019734 TCL: atom 1: phi = 0.558152990035 TCL: Center of mass = 19.3116562181 -1.28565346923 0.473194946641 TCL: atom 1: phi = 0.5580804232 TCL: Center of mass = 19.3128754039 -1.28585076349 0.473304862835 TCL: atom 1: phi = 0.558347984153 TCL: Center of mass = 19.3140567666 -1.28601496742 0.473409049904 TCL: atom 1: phi = 0.558819146207 TCL: Center of mass = 19.3152311129 -1.28615546107 0.473501943997 TCL: atom 1: phi = 0.559607257887 TCL: Center of mass = 19.3163840475 -1.28628327831 0.473562513761 TCL: atom 1: phi = 0.560466545772 TCL: Center of mass = 19.317544934 -1.28642064018 0.473595294431 TCL: atom 1: phi = 0.561539721647 TCL: Center of mass = 19.3186844055 -1.28657296293 0.473602489489 TCL: atom 1: phi = 0.562602413621 TCL: Center of mass = 19.3198464265 -1.28675311256 0.473580950134 TCL: atom 1: phi = 0.563813168452 TCL: Center of mass = 19.3210092581 -1.28693013396 0.473545065284 TCL: atom 1: phi = 0.56498558716 TCL: Center of mass = 19.3221941368 -1.28710054719 0.47350722454 TCL: atom 1: phi = 0.56637175606 TCL: Center of mass = 19.3233758219 -1.28724814264 0.473473199811 TCL: atom 1: phi = 0.567779382304 TCL: Center of mass = 19.3245818552 -1.28734366684 0.473472603578 TCL: atom 1: phi = 0.569415086697 TCL: Center of mass = 19.3257612318 -1.28739103762 0.473496357137 TCL: atom 1: phi = 0.571111821778 TCL: Center of mass = 19.3269378768 -1.28740612868 0.473567086852 TCL: atom 1: phi = 0.573050985528 TCL: Center of mass = 19.3280987523 -1.28740435499 0.473642286055 TCL: atom 1: phi = 0.574971998951 TCL: Center of mass = 19.3292915895 -1.28740369237 0.473738275537 TCL: atom 1: phi = 0.576972758153 TCL: Center of mass = 19.3305120082 -1.28742908727 0.473801803106 TCL: atom 1: phi = 0.578869322324 TCL: Center of mass = 19.3317716946 -1.28746167 0.473833133052 TCL: atom 1: phi = 0.580758573017 TCL: Center of mass = 19.3330389141 -1.28752413387 0.473821175386 TCL: atom 1: phi = 0.582424933959 TCL: Center of mass = 19.334338832 -1.2875957081 0.473786608876 TCL: atom 1: phi = 0.584059253998 TCL: Center of mass = 19.3356355484 -1.28766796778 0.473712786181 TCL: atom 1: phi = 0.585504254781 TCL: Center of mass = 19.3369243525 -1.28773228907 0.473633279168 TCL: atom 1: phi = 0.587024955473 TCL: Center of mass = 19.3381771766 -1.28777251638 0.473558035919 TCL: atom 1: phi = 0.588367396309 TCL: Center of mass = 19.3394225424 -1.28781905211 0.473515281524 TCL: atom 1: phi = 0.589667749361 TCL: Center of mass = 19.3406427336 -1.2878495241 0.473484213117 TCL: atom 1: phi = 0.590671773364 TCL: Center of mass = 19.3418689581 -1.28788778689 0.473456713665 TCL: atom 1: phi = 0.591576067998 TCL: Center of mass = 19.3430947515 -1.28791890699 0.473412794647 TCL: atom 1: phi = 0.592049895212 TCL: Center of mass = 19.3443517092 -1.28796600717 0.473344026672 TCL: atom 1: phi = 0.592374430234 TCL: Center of mass = 19.3456308456 -1.28801410685 0.473225840556 TCL: atom 1: phi = 0.592297482234 TCL: Center of mass = 19.3469366648 -1.28806451701 0.473083726377 TCL: atom 1: phi = 0.592079658341 TCL: Center of mass = 19.3482670477 -1.28810633921 0.472938461589 TCL: atom 1: phi = 0.591514039572 TCL: Center of mass = 19.3496055592 -1.28813681268 0.472828562383 TCL: atom 1: phi = 0.590973493759 TCL: Center of mass = 19.3509224398 -1.28812135433 0.472755113859 TCL: atom 1: phi = 0.590182374905 TCL: Center of mass = 19.352236336 -1.28811262903 0.472746585724 TCL: atom 1: phi = 0.58951950786 TCL: Center of mass = 19.3535052638 -1.28807959842 0.472798758648 TCL: atom 1: phi = 0.588713604654 TCL: Center of mass = 19.3547739864 -1.2880856802 0.472882579524 TCL: atom 1: phi = 0.58800919623 TCL: Center of mass = 19.3560323429 -1.28809383509 0.472954087522 TCL: atom 1: phi = 0.587178306823 TCL: Center of mass = 19.3573049909 -1.28811685776 0.472993330948 TCL: atom 1: phi = 0.586497366855 TCL: Center of mass = 19.3585873364 -1.28812268257 0.472972441173 TCL: atom 1: phi = 0.585719505087 TCL: Center of mass = 19.3599027334 -1.2881547251 0.472902617951 TCL: atom 1: phi = 0.585116755187 TCL: Center of mass = 19.3612119204 -1.28817007745 0.472775654351 TCL: atom 1: phi = 0.584462815603 TCL: Center of mass = 19.3625103403 -1.28821135941 0.472627331862 TCL: atom 1: phi = 0.584055191228 TCL: Center of mass = 19.3637515534 -1.28827837795 0.472458231377 TCL: atom 1: phi = 0.583696796372 TCL: Center of mass = 19.3649472236 -1.28837615495 0.472272925975 TCL: atom 1: phi = 0.583660708171 TCL: Center of mass = 19.3660791658 -1.28847410866 0.472089281046 TCL: atom 1: phi = 0.583674473844 TCL: Center of mass = 19.3671567237 -1.28859103012 0.471935220446 TCL: atom 1: phi = 0.583949956756 TCL: Center of mass = 19.3681689116 -1.28872460952 0.471758230554 TCL: atom 1: phi = 0.584167341628 TCL: Center of mass = 19.3691796418 -1.28887574549 0.471569848734 TCL: atom 1: phi = 0.584626876703 TCL: Center of mass = 19.3701865092 -1.28904445921 0.471333280757 TCL: atom 1: phi = 0.585043272782 TCL: Center of mass = 19.371193993 -1.2892507433 0.471046090925 TCL: atom 1: phi = 0.585715971442 TCL: Center of mass = 19.372179038 -1.28944910886 0.470682768395 TCL: atom 1: phi = 0.586302701866 TCL: Center of mass = 19.3731552761 -1.28966951312 0.470308238504 TCL: atom 1: phi = 0.587136768588 TCL: Center of mass = 19.3741133199 -1.28987997339 0.469931782557 TCL: atom 1: phi = 0.58781293972 TCL: Center of mass = 19.3750596075 -1.29012075472 0.46958103212 TCL: atom 1: phi = 0.588690411671 TCL: Center of mass = 19.3759902917 -1.29039526416 0.469262824539 TCL: atom 1: phi = 0.589389912762 TCL: Center of mass = 19.3769283873 -1.29071383915 0.468991859116 TCL: atom 1: phi = 0.590210289181 TCL: Center of mass = 19.3778748236 -1.29104255959 0.468780937292 TCL: atom 1: phi = 0.590677276478 TCL: Center of mass = 19.3788723036 -1.29138978506 0.468618743564 TCL: atom 1: phi = 0.591167075064 TCL: Center of mass = 19.3799140297 -1.29170829731 0.468473814318 TCL: atom 1: phi = 0.59131282406 TCL: Center of mass = 19.3810141068 -1.29198404644 0.468339143981 TCL: atom 1: phi = 0.591479663136 TCL: Center of mass = 19.3821753441 -1.29220754764 0.468190955524 TCL: atom 1: phi = 0.591381229201 TCL: Center of mass = 19.3833831708 -1.29242555583 0.468042819912 TCL: atom 1: phi = 0.591398696404 TCL: Center of mass = 19.3845942172 -1.2926398134 0.467885430849 TCL: atom 1: phi = 0.591221537684 TCL: Center of mass = 19.3858531691 -1.29286804136 0.467733492048 TCL: atom 1: phi = 0.591275072594 TCL: Center of mass = 19.3871249622 -1.29312846511 0.467612210112 TCL: atom 1: phi = 0.59116309098 TCL: Center of mass = 19.3884157449 -1.29340813228 0.467510503114 TCL: atom 1: phi = 0.591237508238 TCL: Center of mass = 19.3896983014 -1.29369798322 0.467417706635 TCL: atom 1: phi = 0.591104410874 TCL: Center of mass = 19.3910072866 -1.29399016938 0.467331998959 TCL: atom 1: phi = 0.591125511783 TCL: Center of mass = 19.392316668 -1.29427558405 0.467230899453 TCL: atom 1: phi = 0.590971695217 TCL: Center of mass = 19.3936447884 -1.29456698782 0.46711411218 TCL: atom 1: phi = 0.590975769279 TCL: Center of mass = 19.3949257755 -1.2948565128 0.466966849813 TCL: atom 1: phi = 0.590818372912 TCL: Center of mass = 19.396185001 -1.2951612992 0.466796528465 TCL: atom 1: phi = 0.590896376249 TCL: Center of mass = 19.3973759223 -1.29549798703 0.466600070315 TCL: atom 1: phi = 0.590907795764 TCL: Center of mass = 19.3985390299 -1.29587587282 0.466419172678 TCL: atom 1: phi = 0.591260689797 TCL: Center of mass = 19.3996459054 -1.29628879615 0.466248385844 TCL: atom 1: phi = 0.591639437634 TCL: Center of mass = 19.4007116717 -1.29675622408 0.466101820713 TCL: atom 1: phi = 0.592356626583 TCL: Center of mass = 19.4017349303 -1.29724283199 0.465998915311 TCL: atom 1: phi = 0.593051055233 TCL: Center of mass = 19.402741166 -1.29773757979 0.465944050981 TCL: atom 1: phi = 0.594012615511 TCL: Center of mass = 19.4037184996 -1.29820963923 0.465914685065 TCL: atom 1: phi = 0.594791514701 WRITING COORDINATES TO DCD FILE AT STEP 14000 WRITING COORDINATES TO RESTART FILE AT STEP 14000 FINISHED WRITING RESTART COORDINATES TIMING: 14000 CPU: 748.65, 0.0539818/step Wall: 894.141, 0.0638254/step, 0.106376 hours remaining, 13612 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 14000 3399.0209 2421.1582 406.7087 34.2059 -44580.4981 4061.6774 0.0000 0.0000 9883.4201 -24374.3068 292.9848 -24226.8687 -24229.1743 293.1865 1782.3662 -804.5532 125000.0000 -743.3033 -742.5209 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14000 WRITING VELOCITIES TO RESTART FILE AT STEP 14000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.4046906724 -1.29866701491 0.465903221309 TCL: atom 1: phi = 0.595805770056 TCL: Center of mass = 19.4056219408 -1.29911242352 0.465926431676 TCL: atom 1: phi = 0.596631238822 TCL: Center of mass = 19.4065319101 -1.29952548561 0.465972207497 TCL: atom 1: phi = 0.597584954425 TCL: Center of mass = 19.4074241422 -1.29992111332 0.466018174292 TCL: atom 1: phi = 0.59831176019 TCL: Center of mass = 19.4083115959 -1.30032786931 0.466070472949 TCL: atom 1: phi = 0.599178417757 TCL: Center of mass = 19.4091895389 -1.30074134864 0.466112252937 TCL: atom 1: phi = 0.59977707261 TCL: Center of mass = 19.4100834895 -1.30118229642 0.466128132756 TCL: atom 1: phi = 0.600412318238 TCL: Center of mass = 19.4110061682 -1.30163251338 0.466122018693 TCL: atom 1: phi = 0.600739964203 TCL: Center of mass = 19.4119874171 -1.30208091715 0.466098618361 TCL: atom 1: phi = 0.601117523573 TCL: Center of mass = 19.4129980948 -1.30249982962 0.466047687542 TCL: atom 1: phi = 0.601186896303 TCL: Center of mass = 19.414068604 -1.3028974117 0.465999839501 TCL: atom 1: phi = 0.601319058457 TCL: Center of mass = 19.4151977762 -1.30325231342 0.465953614305 TCL: atom 1: phi = 0.601182432305 TCL: Center of mass = 19.4163540835 -1.30359573315 0.465912865581 TCL: atom 1: phi = 0.601116969972 TCL: Center of mass = 19.417521718 -1.30390768718 0.465869590246 TCL: atom 1: phi = 0.600781252437 TCL: Center of mass = 19.4187120075 -1.30423736044 0.465808514584 TCL: atom 1: phi = 0.600572001698 TCL: Center of mass = 19.4199248922 -1.30458732558 0.465721607154 TCL: atom 1: phi = 0.600146132927 TCL: Center of mass = 19.4211755346 -1.30497463499 0.465595567249 TCL: atom 1: phi = 0.599856145259 TCL: Center of mass = 19.4224420045 -1.30537308663 0.465425466031 TCL: atom 1: phi = 0.5994049528 TCL: Center of mass = 19.4237426364 -1.30578518232 0.465241631898 TCL: atom 1: phi = 0.599146280763 TCL: Center of mass = 19.4250431434 -1.30617818035 0.465063241352 TCL: atom 1: phi = 0.59880399945 TCL: Center of mass = 19.4263612483 -1.30657304943 0.464914554938 TCL: atom 1: phi = 0.598619271534 TCL: Center of mass = 19.4276581282 -1.30693291995 0.464804962326 TCL: atom 1: phi = 0.598306369173 TCL: Center of mass = 19.4289544585 -1.30727673553 0.464754498304 TCL: atom 1: phi = 0.598086781621 TCL: Center of mass = 19.4301951848 -1.30758861038 0.464778395114 TCL: atom 1: phi = 0.597719430355 TCL: Center of mass = 19.4314280788 -1.30790793438 0.464875566007 TCL: atom 1: phi = 0.597488682598 TCL: Center of mass = 19.4326607441 -1.30823879888 0.464997833082 TCL: atom 1: phi = 0.597159071269 TCL: Center of mass = 19.4339143513 -1.30858426009 0.465140713549 TCL: atom 1: phi = 0.596955673287 TCL: Center of mass = 19.4351894546 -1.30893533181 0.465245993241 TCL: atom 1: phi = 0.596635896764 TCL: Center of mass = 19.4365050012 -1.3092902005 0.465364257578 TCL: atom 1: phi = 0.596466290852 TCL: Center of mass = 19.4378210393 -1.30961281848 0.465453222134 TCL: atom 1: phi = 0.596092528654 TCL: Center of mass = 19.4391485728 -1.30989862738 0.465547849496 TCL: atom 1: phi = 0.595840825784 TCL: Center of mass = 19.4404553593 -1.310137003 0.465637334407 TCL: atom 1: phi = 0.595416769528 TCL: Center of mass = 19.4417441784 -1.31033784524 0.465768208001 TCL: atom 1: phi = 0.595065459017 TCL: Center of mass = 19.4429882419 -1.31050270239 0.465891463297 TCL: atom 1: phi = 0.594473783833 TCL: Center of mass = 19.4442288622 -1.31068237371 0.466036843116 TCL: atom 1: phi = 0.593939728706 TCL: Center of mass = 19.4454535063 -1.31087366834 0.466159094033 TCL: atom 1: phi = 0.593182861517 TCL: Center of mass = 19.4466797663 -1.31110931631 0.466252497334 TCL: atom 1: phi = 0.592466160685 TCL: Center of mass = 19.4479145342 -1.31137302809 0.466262849428 TCL: atom 1: phi = 0.591565189911 TCL: Center of mass = 19.4491766117 -1.31167187398 0.466231049907 TCL: atom 1: phi = 0.590791523173 TCL: Center of mass = 19.4504452151 -1.3119617456 0.466120863891 TCL: atom 1: phi = 0.589849660721 TCL: Center of mass = 19.4517132027 -1.3122595074 0.465981783377 TCL: atom 1: phi = 0.589058268577 TCL: Center of mass = 19.4529643527 -1.31252749889 0.465809722898 TCL: atom 1: phi = 0.588177176419 TCL: Center of mass = 19.4541896306 -1.31279859032 0.465668133778 TCL: atom 1: phi = 0.587431758385 TCL: Center of mass = 19.455374113 -1.31307791659 0.465556766968 TCL: atom 1: phi = 0.586540115551 TCL: Center of mass = 19.4565304528 -1.31337128914 0.465501687119 TCL: atom 1: phi = 0.585767360601 TCL: Center of mass = 19.4576387406 -1.31370849142 0.465483302844 TCL: atom 1: phi = 0.584859720721 TCL: Center of mass = 19.4587332568 -1.31408991201 0.465499162327 TCL: atom 1: phi = 0.584105620705 TCL: Center of mass = 19.4598219503 -1.31451169105 0.465514258694 TCL: atom 1: phi = 0.583257541428 TCL: Center of mass = 19.4609760761 -1.31495704416 0.465510690785 TCL: atom 1: phi = 0.582615163048 TCL: Center of mass = 19.4621568781 -1.31540642241 0.465491759521 TCL: atom 1: phi = 0.581932336784 TCL: Center of mass = 19.4633613347 -1.31585538743 0.465494103775 TCL: atom 1: phi = 0.581467627086 TCL: Center of mass = 19.4645734187 -1.31628991585 0.465529851807 TCL: atom 1: phi = 0.580944416952 TCL: Center of mass = 19.4657986566 -1.31672396817 0.46559753605 TCL: atom 1: phi = 0.580623037923 TCL: Center of mass = 19.4669884834 -1.31715329858 0.465716093509 TCL: atom 1: phi = 0.580202990651 TCL: Center of mass = 19.4681920582 -1.31758892812 0.465873286332 TCL: atom 1: phi = 0.579939295996 TCL: Center of mass = 19.469369218 -1.31803994091 0.466042297631 TCL: atom 1: phi = 0.579645207923 TCL: Center of mass = 19.4705620783 -1.31850742857 0.466230821104 TCL: atom 1: phi = 0.579588331125 TCL: Center of mass = 19.4717665939 -1.31897441394 0.466389713107 TCL: atom 1: phi = 0.579545226282 TCL: Center of mass = 19.4730008713 -1.31946418601 0.466521586197 TCL: atom 1: phi = 0.579770402858 TCL: Center of mass = 19.4742382414 -1.31993758929 0.466585237868 TCL: atom 1: phi = 0.580012034986 TCL: Center of mass = 19.4754883967 -1.32040512586 0.466616186622 TCL: atom 1: phi = 0.580477801655 TCL: Center of mass = 19.4767229003 -1.32084367433 0.466625990735 TCL: atom 1: phi = 0.580841372477 TCL: Center of mass = 19.4779445274 -1.32129396481 0.466657091202 TCL: atom 1: phi = 0.581317446813 TCL: Center of mass = 19.4791278748 -1.32171669542 0.466694494267 TCL: atom 1: phi = 0.581624660673 TCL: Center of mass = 19.4803284468 -1.3221715241 0.466746740845 TCL: atom 1: phi = 0.581932940841 TCL: Center of mass = 19.4814804568 -1.32262050783 0.466818898449 TCL: atom 1: phi = 0.58197764313 TCL: Center of mass = 19.482623541 -1.32310214515 0.46688727093 TCL: atom 1: phi = 0.581923641097 TCL: Center of mass = 19.4837609 -1.3235526911 0.466946051355 TCL: atom 1: phi = 0.581596320765 TCL: Center of mass = 19.4849239416 -1.32398390621 0.467038747926 TCL: atom 1: phi = 0.581265675239 TCL: Center of mass = 19.4860889635 -1.32436163406 0.467152434771 TCL: atom 1: phi = 0.580699836867 TCL: Center of mass = 19.487268471 -1.32472426712 0.467290862755 TCL: atom 1: phi = 0.580083324177 TCL: Center of mass = 19.4884410727 -1.32505276633 0.467452412846 TCL: atom 1: phi = 0.579236306778 TCL: Center of mass = 19.4896355367 -1.32540347913 0.467652719204 TCL: atom 1: phi = 0.578386736797 TCL: Center of mass = 19.4908143542 -1.32575340495 0.467887293425 TCL: atom 1: phi = 0.577297971437 TCL: Center of mass = 19.4919856683 -1.3261011007 0.468163335639 TCL: atom 1: phi = 0.576197119877 TCL: Center of mass = 19.4931622417 -1.32644831131 0.468454714464 TCL: atom 1: phi = 0.574836941364 TCL: Center of mass = 19.4943741763 -1.32680476774 0.468752142513 TCL: atom 1: phi = 0.573479637387 TCL: Center of mass = 19.4956280304 -1.327129673 0.469051076232 TCL: atom 1: phi = 0.572024965011 TCL: Center of mass = 19.4969249223 -1.32743582956 0.469369797413 TCL: atom 1: phi = 0.570713723021 TCL: Center of mass = 19.4982611819 -1.32768449205 0.469697366974 TCL: atom 1: phi = 0.569446425655 TCL: Center of mass = 19.4996207704 -1.32792544696 0.470045049375 TCL: atom 1: phi = 0.568403135537 TCL: Center of mass = 19.5009712963 -1.32813992475 0.470377769659 TCL: atom 1: phi = 0.567461690608 TCL: Center of mass = 19.5023167193 -1.32837395615 0.47072260213 TCL: atom 1: phi = 0.56674417622 TCL: Center of mass = 19.5036406505 -1.3286105907 0.471040398129 TCL: atom 1: phi = 0.566048083277 TCL: Center of mass = 19.5049316687 -1.3288654575 0.471328992125 TCL: atom 1: phi = 0.565487151174 TCL: Center of mass = 19.5061967463 -1.32913624571 0.471571837745 TCL: atom 1: phi = 0.564946361658 TCL: Center of mass = 19.5074538735 -1.3294507848 0.471766556784 TCL: atom 1: phi = 0.564568807175 TCL: Center of mass = 19.5086861327 -1.32974964885 0.471906660372 TCL: atom 1: phi = 0.564247531408 TCL: Center of mass = 19.5099074172 -1.33002109481 0.47203299663 TCL: atom 1: phi = 0.564145709122 TCL: Center of mass = 19.5111184276 -1.33024105075 0.472149196932 TCL: atom 1: phi = 0.564149192206 TCL: Center of mass = 19.5123208394 -1.33043787567 0.472275802374 TCL: atom 1: phi = 0.564386134701 TCL: Center of mass = 19.5134866431 -1.33059498049 0.472426859718 TCL: atom 1: phi = 0.564737263282 TCL: Center of mass = 19.5146289922 -1.33075801859 0.472608870161 TCL: atom 1: phi = 0.565324317764 TCL: Center of mass = 19.5157579995 -1.33092117057 0.472786225026 TCL: atom 1: phi = 0.565984152528 TCL: Center of mass = 19.5168950954 -1.33109761863 0.472976624353 TCL: atom 1: phi = 0.566853352576 TCL: Center of mass = 19.5180401695 -1.33128191929 0.473152204459 TCL: atom 1: phi = 0.567718913351 TCL: Center of mass = 19.519212366 -1.33146325964 0.473302004507 TCL: atom 1: phi = 0.568684088573 TCL: Center of mass = 19.5204086102 -1.33158632958 0.473427624538 TCL: atom 1: phi = 0.569606747686 TCL: Center of mass = 19.5216533544 -1.33165825476 0.473562077306 TCL: atom 1: phi = 0.570592795029 TCL: Center of mass = 19.5229307387 -1.33165146715 0.473722671393 TCL: atom 1: phi = 0.571576512223 WRITING COORDINATES TO DCD FILE AT STEP 14100 WRITING COORDINATES TO RESTART FILE AT STEP 14100 FINISHED WRITING RESTART COORDINATES TIMING: 14100 CPU: 754.04, 0.0539018/step Wall: 900.514, 0.0637274/step, 0.104442 hours remaining, 13612 kB of memory in use. ENERGY: 14100 3419.1544 2520.4372 379.5267 40.0506 -44934.2923 4259.0661 0.0000 0.0000 9948.7284 -24367.3288 294.9208 -24218.7220 -24225.2511 293.5047 2151.5326 -303.6907 125000.0000 -489.5994 -489.1678 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14100 WRITING VELOCITIES TO RESTART FILE AT STEP 14100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.5242366314 -1.33160255803 0.473913842943 TCL: atom 1: phi = 0.572698821158 TCL: Center of mass = 19.5255695789 -1.33148237387 0.474147435771 TCL: atom 1: phi = 0.573809068042 TCL: Center of mass = 19.5269112372 -1.33134270713 0.474432180968 TCL: atom 1: phi = 0.574984331885 TCL: Center of mass = 19.5282632807 -1.33118033491 0.474736356552 TCL: atom 1: phi = 0.576103782605 TCL: Center of mass = 19.5296383262 -1.33104258709 0.475037546753 TCL: atom 1: phi = 0.577202776131 TCL: Center of mass = 19.5310366532 -1.33090057709 0.475289016702 TCL: atom 1: phi = 0.578057440306 TCL: Center of mass = 19.5324628635 -1.33077795411 0.475460972224 TCL: atom 1: phi = 0.578809080297 TCL: Center of mass = 19.5339304891 -1.33063082532 0.47555590864 TCL: atom 1: phi = 0.579339029884 TCL: Center of mass = 19.5354164258 -1.33047430105 0.475613507345 TCL: atom 1: phi = 0.579823579471 TCL: Center of mass = 19.5368996318 -1.3302674784 0.475645866731 TCL: atom 1: phi = 0.580167874875 TCL: Center of mass = 19.5383917425 -1.33002838451 0.475677602562 TCL: atom 1: phi = 0.580605797881 TCL: Center of mass = 19.5398444486 -1.32975620686 0.475712454423 TCL: atom 1: phi = 0.580984621531 TCL: Center of mass = 19.5412619952 -1.32949839474 0.475793943628 TCL: atom 1: phi = 0.581422996073 TCL: Center of mass = 19.5426572301 -1.32927705533 0.475909354597 TCL: atom 1: phi = 0.581761457094 TCL: Center of mass = 19.5440473587 -1.32912113261 0.476032544262 TCL: atom 1: phi = 0.582137127763 TCL: Center of mass = 19.5454259835 -1.32898679519 0.476100300113 TCL: atom 1: phi = 0.582346307497 TCL: Center of mass = 19.5468357525 -1.32887496279 0.476130764742 TCL: atom 1: phi = 0.582530221036 TCL: Center of mass = 19.5482704459 -1.32874381304 0.476100173287 TCL: atom 1: phi = 0.582536766374 TCL: Center of mass = 19.5497483871 -1.32861919467 0.476002960439 TCL: atom 1: phi = 0.582634977952 TCL: Center of mass = 19.5512558229 -1.32845133414 0.475878323791 TCL: atom 1: phi = 0.582674430867 TCL: Center of mass = 19.5527884378 -1.32826660884 0.475757951136 TCL: atom 1: phi = 0.582910630902 TCL: Center of mass = 19.554294301 -1.32808266659 0.475644154324 TCL: atom 1: phi = 0.583197089904 TCL: Center of mass = 19.5557948037 -1.32789489579 0.475576207717 TCL: atom 1: phi = 0.58367023103 TCL: Center of mass = 19.5572736192 -1.32772097318 0.475507759482 TCL: atom 1: phi = 0.584217537513 TCL: Center of mass = 19.5587494808 -1.32759327455 0.475469435276 TCL: atom 1: phi = 0.584833406242 TCL: Center of mass = 19.5602223837 -1.32748160756 0.475422821652 TCL: atom 1: phi = 0.585299258549 TCL: Center of mass = 19.5617255538 -1.32740982966 0.475360825368 TCL: atom 1: phi = 0.58580401984 TCL: Center of mass = 19.5632349263 -1.32734197577 0.475263560226 TCL: atom 1: phi = 0.586176265979 TCL: Center of mass = 19.5647669726 -1.32727440122 0.475138316977 TCL: atom 1: phi = 0.586511925718 TCL: Center of mass = 19.566300419 -1.32719376105 0.474970030723 TCL: atom 1: phi = 0.58671475642 TCL: Center of mass = 19.5678414641 -1.32709966385 0.474807896639 TCL: atom 1: phi = 0.58695407231 TCL: Center of mass = 19.5693407998 -1.32698711368 0.474646539708 TCL: atom 1: phi = 0.58708352752 TCL: Center of mass = 19.5708039047 -1.32689389918 0.474524062356 TCL: atom 1: phi = 0.587328383698 TCL: Center of mass = 19.5721698211 -1.32681366 0.474409917278 TCL: atom 1: phi = 0.587519947834 TCL: Center of mass = 19.5734956735 -1.32678504072 0.474313761081 TCL: atom 1: phi = 0.587758099524 TCL: Center of mass = 19.5747609192 -1.32679029236 0.474209811529 TCL: atom 1: phi = 0.587897764124 TCL: Center of mass = 19.5760040994 -1.32683353039 0.474099904431 TCL: atom 1: phi = 0.587978250505 TCL: Center of mass = 19.5772200372 -1.32689494341 0.473949113883 TCL: atom 1: phi = 0.587830645322 TCL: Center of mass = 19.5784496211 -1.32695926884 0.47377677593 TCL: atom 1: phi = 0.587713494653 TCL: Center of mass = 19.5796632232 -1.32700856024 0.473584556937 TCL: atom 1: phi = 0.587447948001 TCL: Center of mass = 19.5808953833 -1.32707441792 0.473367899509 TCL: atom 1: phi = 0.587303710333 TCL: Center of mass = 19.5821121833 -1.32712627522 0.473140876136 TCL: atom 1: phi = 0.587199524354 TCL: Center of mass = 19.583367671 -1.3272048788 0.472912391548 TCL: atom 1: phi = 0.587368523348 TCL: Center of mass = 19.5846272659 -1.32729497292 0.472667927135 TCL: atom 1: phi = 0.587624394876 TCL: Center of mass = 19.5859118503 -1.3273947391 0.472423169986 TCL: atom 1: phi = 0.58807710017 TCL: Center of mass = 19.5871982705 -1.32748758841 0.472163935916 TCL: atom 1: phi = 0.588523419732 TCL: Center of mass = 19.5885175827 -1.32758444474 0.471921636798 TCL: atom 1: phi = 0.589024048626 TCL: Center of mass = 19.5898235733 -1.32764772948 0.471646986602 TCL: atom 1: phi = 0.58941212394 TCL: Center of mass = 19.5911615656 -1.32769845068 0.471386884622 TCL: atom 1: phi = 0.589860946139 TCL: Center of mass = 19.5925097079 -1.327719793 0.471151278183 TCL: atom 1: phi = 0.590224206026 TCL: Center of mass = 19.5938782079 -1.32773515647 0.470953914207 TCL: atom 1: phi = 0.590694773484 TCL: Center of mass = 19.5952063669 -1.32773009999 0.470783474295 TCL: atom 1: phi = 0.591153044752 TCL: Center of mass = 19.5965439217 -1.32774990398 0.470645838465 TCL: atom 1: phi = 0.59178268221 TCL: Center of mass = 19.5978376052 -1.32777795479 0.470544638564 TCL: atom 1: phi = 0.592387845758 TCL: Center of mass = 19.599120469 -1.32780779655 0.470473194788 TCL: atom 1: phi = 0.593185361452 TCL: Center of mass = 19.6003623872 -1.3278280005 0.47043471948 TCL: atom 1: phi = 0.593859715056 TCL: Center of mass = 19.6015803825 -1.32785483587 0.470429217234 TCL: atom 1: phi = 0.594593175859 TCL: Center of mass = 19.6027410211 -1.32786253043 0.470444595362 TCL: atom 1: phi = 0.595131498373 TCL: Center of mass = 19.603907359 -1.3278575377 0.470512071465 TCL: atom 1: phi = 0.595742289531 TCL: Center of mass = 19.6050384537 -1.32783590195 0.470617073852 TCL: atom 1: phi = 0.596209850113 TCL: Center of mass = 19.6061632095 -1.32782714333 0.470760632933 TCL: atom 1: phi = 0.596801046745 TCL: Center of mass = 19.6072706998 -1.32783465043 0.470912839064 TCL: atom 1: phi = 0.597399718619 TCL: Center of mass = 19.608374229 -1.32790387743 0.47108438166 TCL: atom 1: phi = 0.598181717925 TCL: Center of mass = 19.6094525489 -1.32800052251 0.471215828117 TCL: atom 1: phi = 0.598972925156 TCL: Center of mass = 19.6105537994 -1.32811505137 0.471300419585 TCL: atom 1: phi = 0.599952580247 TCL: Center of mass = 19.6116695012 -1.32820127211 0.471311914942 TCL: atom 1: phi = 0.600812640008 TCL: Center of mass = 19.6128351959 -1.32826767291 0.471299824885 TCL: atom 1: phi = 0.601655680578 TCL: Center of mass = 19.614023203 -1.32829109208 0.471244800855 TCL: atom 1: phi = 0.602314584221 TCL: Center of mass = 19.6152542044 -1.3282980591 0.471205852268 TCL: atom 1: phi = 0.602932265147 TCL: Center of mass = 19.6164898734 -1.32827659705 0.471151496975 TCL: atom 1: phi = 0.603354788189 TCL: Center of mass = 19.61774934 -1.32825986488 0.471138491963 TCL: atom 1: phi = 0.603858916538 TCL: Center of mass = 19.6190285537 -1.32825418881 0.471136463886 TCL: atom 1: phi = 0.604341566283 TCL: Center of mass = 19.6203234073 -1.3282792869 0.471146255875 TCL: atom 1: phi = 0.60502420285 TCL: Center of mass = 19.6216405047 -1.32833129462 0.471152550528 TCL: atom 1: phi = 0.60574760026 TCL: Center of mass = 19.6229667596 -1.3284141456 0.471144663742 TCL: atom 1: phi = 0.606667125817 TCL: Center of mass = 19.6243077152 -1.32848571736 0.471096311638 TCL: atom 1: phi = 0.607598793444 TCL: Center of mass = 19.6256727282 -1.32853923902 0.471038672705 TCL: atom 1: phi = 0.608640043161 TCL: Center of mass = 19.6270137419 -1.32854066059 0.470977779471 TCL: atom 1: phi = 0.609680368448 TCL: Center of mass = 19.6283483034 -1.32850905133 0.470959268361 TCL: atom 1: phi = 0.610798844467 TCL: Center of mass = 19.6296553341 -1.32846761684 0.470991554656 TCL: atom 1: phi = 0.611803699722 TCL: Center of mass = 19.630937648 -1.32842460245 0.471099911248 TCL: atom 1: phi = 0.612932204217 TCL: Center of mass = 19.6321791725 -1.32841902552 0.471285236282 TCL: atom 1: phi = 0.61408727557 TCL: Center of mass = 19.6334102823 -1.32848022112 0.471516025782 TCL: atom 1: phi = 0.615484419209 TCL: Center of mass = 19.6346095789 -1.32860650624 0.471747208993 TCL: atom 1: phi = 0.616960281156 TCL: Center of mass = 19.6358224944 -1.32879519169 0.471978063979 TCL: atom 1: phi = 0.61873106859 TCL: Center of mass = 19.6370550215 -1.3290202052 0.472159628654 TCL: atom 1: phi = 0.620453843571 TCL: Center of mass = 19.6383191816 -1.32925730871 0.472281972384 TCL: atom 1: phi = 0.622228101808 TCL: Center of mass = 19.6396090367 -1.32948552677 0.472366422598 TCL: atom 1: phi = 0.623812141506 TCL: Center of mass = 19.6409367437 -1.32966604511 0.472422769093 TCL: atom 1: phi = 0.625318985818 TCL: Center of mass = 19.6422697172 -1.32978633854 0.472465572212 TCL: atom 1: phi = 0.626507202875 TCL: Center of mass = 19.6436167477 -1.32988964066 0.472517888013 TCL: atom 1: phi = 0.627684266133 TCL: Center of mass = 19.6449632543 -1.32999688036 0.472599298429 TCL: atom 1: phi = 0.628649847383 TCL: Center of mass = 19.6463224848 -1.330135505 0.472712160532 TCL: atom 1: phi = 0.629650083582 TCL: Center of mass = 19.6476781017 -1.33031827636 0.472817887496 TCL: atom 1: phi = 0.630526011868 TCL: Center of mass = 19.6490689565 -1.33053738683 0.472919284794 TCL: atom 1: phi = 0.631393907333 TCL: Center of mass = 19.6504747965 -1.33076117453 0.472968989365 TCL: atom 1: phi = 0.6319754781 TCL: Center of mass = 19.6519144584 -1.33095085732 0.472970826707 TCL: atom 1: phi = 0.632463899152 TCL: Center of mass = 19.653359007 -1.33108910556 0.472943154914 TCL: atom 1: phi = 0.632569751146 TCL: Center of mass = 19.6548107772 -1.33114537152 0.472911616217 TCL: atom 1: phi = 0.632475109172 TCL: Center of mass = 19.6562357012 -1.33113412908 0.47287443474 TCL: atom 1: phi = 0.631994032417 WRITING COORDINATES TO DCD FILE AT STEP 14200 WRITING COORDINATES TO RESTART FILE AT STEP 14200 FINISHED WRITING RESTART COORDINATES TIMING: 14200 CPU: 759.43, 0.0538918/step Wall: 906.892, 0.0637854/step, 0.102765 hours remaining, 13612 kB of memory in use. ENERGY: 14200 3451.6046 2489.8175 390.0648 35.7140 -44861.9423 4163.6044 0.0000 0.0000 9932.4974 -24398.6397 294.4396 -24251.3892 -24252.3467 293.0968 1853.9802 -699.9200 125000.0000 -399.8962 -408.9934 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14200 WRITING VELOCITIES TO RESTART FILE AT STEP 14200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.657633212 -1.33108798431 0.472894942493 TCL: atom 1: phi = 0.631438348405 TCL: Center of mass = 19.6590089508 -1.33102826536 0.472943405132 TCL: atom 1: phi = 0.630689413745 TCL: Center of mass = 19.6603411644 -1.33098778141 0.47301116756 TCL: atom 1: phi = 0.629981061395 TCL: Center of mass = 19.6616467565 -1.33099824439 0.473104298696 TCL: atom 1: phi = 0.629218742375 TCL: Center of mass = 19.6629529269 -1.33105696023 0.47321790364 TCL: atom 1: phi = 0.628589556191 TCL: Center of mass = 19.6642568591 -1.33117026503 0.473311435441 TCL: atom 1: phi = 0.627928963353 TCL: Center of mass = 19.6655922016 -1.33129196674 0.473393765675 TCL: atom 1: phi = 0.627410642151 TCL: Center of mass = 19.6669669233 -1.33140322975 0.473443558882 TCL: atom 1: phi = 0.62680698819 TCL: Center of mass = 19.6683896289 -1.33150017956 0.473493016391 TCL: atom 1: phi = 0.626254297389 TCL: Center of mass = 19.6698324505 -1.33158199265 0.473530623943 TCL: atom 1: phi = 0.62568879112 TCL: Center of mass = 19.6713046898 -1.33166534323 0.473610789444 TCL: atom 1: phi = 0.625242077737 TCL: Center of mass = 19.6727691523 -1.33175509353 0.473678587966 TCL: atom 1: phi = 0.624862746507 TCL: Center of mass = 19.6742473397 -1.33186508311 0.473763013662 TCL: atom 1: phi = 0.624720105683 TCL: Center of mass = 19.6757360397 -1.33200820697 0.473835399199 TCL: atom 1: phi = 0.62470435178 TCL: Center of mass = 19.6772437524 -1.33219349242 0.473925432707 TCL: atom 1: phi = 0.624961939715 TCL: Center of mass = 19.6787648139 -1.33239017221 0.473998416653 TCL: atom 1: phi = 0.625336389857 TCL: Center of mass = 19.6803337127 -1.33259038069 0.474072746342 TCL: atom 1: phi = 0.625874293393 TCL: Center of mass = 19.6819176391 -1.33277075059 0.474132430941 TCL: atom 1: phi = 0.62641157206 TCL: Center of mass = 19.6835109931 -1.33292689441 0.474192709187 TCL: atom 1: phi = 0.627014313177 TCL: Center of mass = 19.6851136861 -1.33304098407 0.474241000548 TCL: atom 1: phi = 0.62752642299 TCL: Center of mass = 19.6866992373 -1.33313721291 0.474296244297 TCL: atom 1: phi = 0.628106482255 TCL: Center of mass = 19.6882588886 -1.33322104124 0.47434283595 TCL: atom 1: phi = 0.62864682472 TCL: Center of mass = 19.6897677812 -1.33331550204 0.474397335617 TCL: atom 1: phi = 0.629278784496 TCL: Center of mass = 19.6912393675 -1.33343975791 0.474424114024 TCL: atom 1: phi = 0.629943427852 TCL: Center of mass = 19.6926569343 -1.33356083333 0.474472061766 TCL: atom 1: phi = 0.630789673151 TCL: Center of mass = 19.6940386688 -1.33369328502 0.474500359175 TCL: atom 1: phi = 0.631663619599 TCL: Center of mass = 19.6954095169 -1.33385713156 0.474529307841 TCL: atom 1: phi = 0.632663965327 TCL: Center of mass = 19.6967427816 -1.33400408422 0.474548101422 TCL: atom 1: phi = 0.633530207876 TCL: Center of mass = 19.6980763678 -1.33414796251 0.474565305316 TCL: atom 1: phi = 0.634285851479 TCL: Center of mass = 19.6993746643 -1.33428216092 0.474549822569 TCL: atom 1: phi = 0.634767227761 TCL: Center of mass = 19.7006661507 -1.33442539045 0.474524432503 TCL: atom 1: phi = 0.635122086633 TCL: Center of mass = 19.7019395599 -1.33459453425 0.474446630784 TCL: atom 1: phi = 0.635246776218 TCL: Center of mass = 19.7032014524 -1.33480987853 0.47432336749 TCL: atom 1: phi = 0.635300356333 TCL: Center of mass = 19.7044578435 -1.33504978013 0.474118801364 TCL: atom 1: phi = 0.63521898007 TCL: Center of mass = 19.7057415327 -1.33533716675 0.473893127992 TCL: atom 1: phi = 0.63515379272 TCL: Center of mass = 19.7070311712 -1.33563556597 0.4736420974 TCL: atom 1: phi = 0.635013566226 TCL: Center of mass = 19.7083440741 -1.33594657014 0.473412308496 TCL: atom 1: phi = 0.634959373034 TCL: Center of mass = 19.7096757689 -1.33624374956 0.473189839571 TCL: atom 1: phi = 0.63481801454 TCL: Center of mass = 19.7110257373 -1.33654188309 0.47300593864 TCL: atom 1: phi = 0.634677197217 TCL: Center of mass = 19.7123801402 -1.33682800535 0.472887120397 TCL: atom 1: phi = 0.634384119765 TCL: Center of mass = 19.7137547008 -1.33713756 0.472797272213 TCL: atom 1: phi = 0.634067057521 TCL: Center of mass = 19.7151286569 -1.33747288483 0.472694037333 TCL: atom 1: phi = 0.633639031723 TCL: Center of mass = 19.7164985213 -1.3378129041 0.472563384585 TCL: atom 1: phi = 0.633391873266 TCL: Center of mass = 19.7178455953 -1.33816115592 0.472406220533 TCL: atom 1: phi = 0.633238385337 TCL: Center of mass = 19.7191850982 -1.3384997198 0.472200284262 TCL: atom 1: phi = 0.633346246286 TCL: Center of mass = 19.7205134441 -1.33884570162 0.471962719577 TCL: atom 1: phi = 0.633614953587 TCL: Center of mass = 19.7218531341 -1.33918762232 0.471742242751 TCL: atom 1: phi = 0.634152661297 TCL: Center of mass = 19.7231579162 -1.33950759341 0.471559849658 TCL: atom 1: phi = 0.634846552089 TCL: Center of mass = 19.7244868853 -1.33982530835 0.471437878232 TCL: atom 1: phi = 0.635720455492 TCL: Center of mass = 19.7257963152 -1.34013373733 0.471373435785 TCL: atom 1: phi = 0.63653977466 TCL: Center of mass = 19.7270764868 -1.34047293931 0.471331063324 TCL: atom 1: phi = 0.637429382566 TCL: Center of mass = 19.7283151347 -1.34085538712 0.471281203176 TCL: atom 1: phi = 0.638197281107 TCL: Center of mass = 19.7295314444 -1.34127124195 0.471217050278 TCL: atom 1: phi = 0.63904121972 TCL: Center of mass = 19.7307430832 -1.34169511152 0.471097292018 TCL: atom 1: phi = 0.63979595221 TCL: Center of mass = 19.731974432 -1.34214749784 0.470925565272 TCL: atom 1: phi = 0.640681223084 TCL: Center of mass = 19.7332199479 -1.3425925531 0.470706906515 TCL: atom 1: phi = 0.641547495739 TCL: Center of mass = 19.7345094304 -1.34304426189 0.470457577006 TCL: atom 1: phi = 0.64256073119 TCL: Center of mass = 19.7358091063 -1.34343715418 0.470205067734 TCL: atom 1: phi = 0.643493600375 TCL: Center of mass = 19.7371254246 -1.34381512555 0.469971048723 TCL: atom 1: phi = 0.644430383261 TCL: Center of mass = 19.7384476156 -1.34416963283 0.46975170764 TCL: atom 1: phi = 0.645156809892 TCL: Center of mass = 19.7397782222 -1.34452818411 0.469542442655 TCL: atom 1: phi = 0.645780793587 TCL: Center of mass = 19.7410921765 -1.34488340369 0.469320051835 TCL: atom 1: phi = 0.646128327989 TCL: Center of mass = 19.7424004674 -1.34524944705 0.469097691777 TCL: atom 1: phi = 0.646419915116 TCL: Center of mass = 19.7437190957 -1.3456301842 0.46884073094 TCL: atom 1: phi = 0.646503056766 TCL: Center of mass = 19.7450479181 -1.34600675951 0.468545632662 TCL: atom 1: phi = 0.646589351136 TCL: Center of mass = 19.7463903547 -1.3463402874 0.468209531875 TCL: atom 1: phi = 0.6465807997 TCL: Center of mass = 19.7477446981 -1.34666817327 0.467865887453 TCL: atom 1: phi = 0.646696841596 TCL: Center of mass = 19.7490964948 -1.34694606571 0.467527277067 TCL: atom 1: phi = 0.646781006484 TCL: Center of mass = 19.750455408 -1.34720056196 0.467212150446 TCL: atom 1: phi = 0.64695778658 TCL: Center of mass = 19.7517639033 -1.34744700002 0.466918762937 TCL: atom 1: phi = 0.647026536054 TCL: Center of mass = 19.7530580266 -1.34773907722 0.466674273773 TCL: atom 1: phi = 0.647126406944 TCL: Center of mass = 19.7543310815 -1.34806530735 0.466451760477 TCL: atom 1: phi = 0.647127062437 TCL: Center of mass = 19.7555887498 -1.34845294801 0.466242235321 TCL: atom 1: phi = 0.647149794458 TCL: Center of mass = 19.7568221484 -1.34887010767 0.466013028673 TCL: atom 1: phi = 0.647113917792 TCL: Center of mass = 19.7580920639 -1.34930656159 0.465744518982 TCL: atom 1: phi = 0.647198872307 TCL: Center of mass = 19.7593827114 -1.34972223412 0.465434223839 TCL: atom 1: phi = 0.647287341538 TCL: Center of mass = 19.7607109577 -1.35009962162 0.465104057737 TCL: atom 1: phi = 0.647545518353 TCL: Center of mass = 19.7620702982 -1.35045504829 0.464778399276 TCL: atom 1: phi = 0.647783843211 TCL: Center of mass = 19.7634790335 -1.35079890193 0.46446623684 TCL: atom 1: phi = 0.648125328509 TCL: Center of mass = 19.7649185825 -1.35113700151 0.464179183308 TCL: atom 1: phi = 0.648396923221 TCL: Center of mass = 19.7663855107 -1.35149070032 0.463906443279 TCL: atom 1: phi = 0.648712255052 TCL: Center of mass = 19.7678694688 -1.35187126919 0.463652068382 TCL: atom 1: phi = 0.648870327015 TCL: Center of mass = 19.769370659 -1.35228370276 0.463400157517 TCL: atom 1: phi = 0.649024641931 TCL: Center of mass = 19.7708949723 -1.35271342749 0.463147053924 TCL: atom 1: phi = 0.648986117769 TCL: Center of mass = 19.7724616295 -1.3531353854 0.462884056949 TCL: atom 1: phi = 0.649016236973 TCL: Center of mass = 19.7740793042 -1.3535324404 0.462629659341 TCL: atom 1: phi = 0.648949646176 TCL: Center of mass = 19.7757250875 -1.35388657128 0.462391067266 TCL: atom 1: phi = 0.649008263179 TCL: Center of mass = 19.7774041815 -1.35421354301 0.462140022589 TCL: atom 1: phi = 0.649073516185 TCL: Center of mass = 19.7790991203 -1.35451501571 0.461887230506 TCL: atom 1: phi = 0.649264345223 TCL: Center of mass = 19.7807686745 -1.35479431232 0.461649047418 TCL: atom 1: phi = 0.649429284502 TCL: Center of mass = 19.7824282846 -1.35507800547 0.461420998282 TCL: atom 1: phi = 0.649651735385 TCL: Center of mass = 19.7840366093 -1.35541558706 0.461205998527 TCL: atom 1: phi = 0.649739192137 TCL: Center of mass = 19.7856094466 -1.35581611394 0.461000660016 TCL: atom 1: phi = 0.649751654299 TCL: Center of mass = 19.7871290293 -1.35627508235 0.460799705265 TCL: atom 1: phi = 0.649577473077 TCL: Center of mass = 19.7886355112 -1.35676533887 0.460613001688 TCL: atom 1: phi = 0.649406249787 TCL: Center of mass = 19.7901272668 -1.35723850578 0.460421842002 TCL: atom 1: phi = 0.649141567389 TCL: Center of mass = 19.7916098159 -1.3576908862 0.460241397646 TCL: atom 1: phi = 0.648947628146 TCL: Center of mass = 19.7930814179 -1.35813037265 0.460090135255 TCL: atom 1: phi = 0.648719005566 TCL: Center of mass = 19.7945423651 -1.35854145725 0.459951838448 TCL: atom 1: phi = 0.648654085678 TCL: Center of mass = 19.795975101 -1.3589458975 0.459830878885 TCL: atom 1: phi = 0.648576119138 WRITING COORDINATES TO DCD FILE AT STEP 14300 WRITING COORDINATES TO RESTART FILE AT STEP 14300 FINISHED WRITING RESTART COORDINATES TIMING: 14300 CPU: 764.833, 0.0540318/step Wall: 913.266, 0.0637398/step, 0.100921 hours remaining, 13612 kB of memory in use. ENERGY: 14300 3427.5729 2372.3027 400.0282 29.6190 -44783.5241 4190.0768 0.0000 0.0000 9960.0559 -24403.8685 295.2566 -24257.0095 -24257.1860 293.6065 2271.7822 -319.5992 125000.0000 -471.2336 -468.6699 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14300 WRITING VELOCITIES TO RESTART FILE AT STEP 14300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.7973981827 -1.35937307365 0.459681699542 TCL: atom 1: phi = 0.648677203516 TCL: Center of mass = 19.7987915677 -1.35982900658 0.459522459886 TCL: atom 1: phi = 0.648698803148 TCL: Center of mass = 19.8001681293 -1.36030308818 0.459366869994 TCL: atom 1: phi = 0.648839852599 TCL: Center of mass = 19.8015396224 -1.36078978977 0.459215255953 TCL: atom 1: phi = 0.648890383644 TCL: Center of mass = 19.8029016543 -1.36129638581 0.459055784422 TCL: atom 1: phi = 0.649055200728 TCL: Center of mass = 19.8042673398 -1.36178599304 0.458912746392 TCL: atom 1: phi = 0.649210198829 TCL: Center of mass = 19.8056744947 -1.36224581383 0.458801142237 TCL: atom 1: phi = 0.649523606458 TCL: Center of mass = 19.8071164529 -1.36264128758 0.458712262609 TCL: atom 1: phi = 0.649892554907 TCL: Center of mass = 19.8085861665 -1.36302261848 0.458605213192 TCL: atom 1: phi = 0.650521852012 TCL: Center of mass = 19.8100607876 -1.36337565299 0.458470976974 TCL: atom 1: phi = 0.651220123761 TCL: Center of mass = 19.81154759 -1.36375525407 0.458313502474 TCL: atom 1: phi = 0.652157729314 TCL: Center of mass = 19.8130325003 -1.36416690863 0.458122358151 TCL: atom 1: phi = 0.653104015315 TCL: Center of mass = 19.8145130029 -1.36460293587 0.457923377376 TCL: atom 1: phi = 0.654159973157 TCL: Center of mass = 19.8159962195 -1.36508156558 0.457712101866 TCL: atom 1: phi = 0.655093375586 TCL: Center of mass = 19.8175010095 -1.36559107752 0.457491623463 TCL: atom 1: phi = 0.656130286274 TCL: Center of mass = 19.819012871 -1.3660741146 0.457284772548 TCL: atom 1: phi = 0.657060142917 TCL: Center of mass = 19.8205400529 -1.36658197714 0.457108144682 TCL: atom 1: phi = 0.658061719461 TCL: Center of mass = 19.8220710684 -1.36708109177 0.456949004155 TCL: atom 1: phi = 0.659012187826 TCL: Center of mass = 19.8236345993 -1.36756609328 0.456788931162 TCL: atom 1: phi = 0.660099244099 TCL: Center of mass = 19.8251867619 -1.36806069258 0.456645620503 TCL: atom 1: phi = 0.661079872161 TCL: Center of mass = 19.8267428919 -1.36857712664 0.456459423848 TCL: atom 1: phi = 0.662081203346 TCL: Center of mass = 19.8282726449 -1.36913513886 0.456228747152 TCL: atom 1: phi = 0.662807272377 TCL: Center of mass = 19.8298110883 -1.36972270722 0.455959191896 TCL: atom 1: phi = 0.663438944634 TCL: Center of mass = 19.8313465403 -1.37034081877 0.455654834569 TCL: atom 1: phi = 0.663687328089 TCL: Center of mass = 19.8329209316 -1.37095456149 0.455350736396 TCL: atom 1: phi = 0.663773557323 TCL: Center of mass = 19.8345001348 -1.37156224213 0.455072019688 TCL: atom 1: phi = 0.663435433941 TCL: Center of mass = 19.8361113008 -1.37216865997 0.454831614301 TCL: atom 1: phi = 0.662975121133 TCL: Center of mass = 19.8377416975 -1.37275289425 0.45464369698 TCL: atom 1: phi = 0.662227602623 TCL: Center of mass = 19.8393886871 -1.37333987796 0.454475407473 TCL: atom 1: phi = 0.661450625553 TCL: Center of mass = 19.8410343442 -1.37391433199 0.454330608986 TCL: atom 1: phi = 0.660561348679 TCL: Center of mass = 19.8426737768 -1.37452100192 0.454173924551 TCL: atom 1: phi = 0.659795357646 TCL: Center of mass = 19.8443038933 -1.37513913137 0.454007057339 TCL: atom 1: phi = 0.65897519273 TCL: Center of mass = 19.8459372479 -1.37577030268 0.453788119016 TCL: atom 1: phi = 0.658273965132 TCL: Center of mass = 19.8475683221 -1.37639787321 0.453541668266 TCL: atom 1: phi = 0.657472997786 TCL: Center of mass = 19.8492193691 -1.37703184054 0.453264708346 TCL: atom 1: phi = 0.656840385124 TCL: Center of mass = 19.8508795272 -1.3776384883 0.452971767915 TCL: atom 1: phi = 0.656121972421 TCL: Center of mass = 19.8525725363 -1.37824052036 0.452718882567 TCL: atom 1: phi = 0.655537211583 TCL: Center of mass = 19.8542543577 -1.37884116298 0.452495626837 TCL: atom 1: phi = 0.654953263699 TCL: Center of mass = 19.8559547942 -1.37944692442 0.452318989787 TCL: atom 1: phi = 0.654644546066 TCL: Center of mass = 19.8576251799 -1.38007060183 0.452202088761 TCL: atom 1: phi = 0.654447410654 TCL: Center of mass = 19.8592794023 -1.3807208878 0.452091619397 TCL: atom 1: phi = 0.654520127478 TCL: Center of mass = 19.8609058112 -1.38139174119 0.451990852761 TCL: atom 1: phi = 0.654600865709 TCL: Center of mass = 19.8625343444 -1.38208368933 0.451874169838 TCL: atom 1: phi = 0.654805483382 TCL: Center of mass = 19.8641386288 -1.38277442431 0.45175520486 TCL: atom 1: phi = 0.654876381475 TCL: Center of mass = 19.8657548335 -1.38344529464 0.451640617522 TCL: atom 1: phi = 0.654920083482 TCL: Center of mass = 19.867375322 -1.38409926003 0.451554247894 TCL: atom 1: phi = 0.65474000328 TCL: Center of mass = 19.8690027746 -1.38475089526 0.45149591705 TCL: atom 1: phi = 0.654481778718 TCL: Center of mass = 19.8706321626 -1.38538406058 0.451488784566 TCL: atom 1: phi = 0.654032896528 TCL: Center of mass = 19.8722798299 -1.38601795197 0.45151192378 TCL: atom 1: phi = 0.653625968311 TCL: Center of mass = 19.8739050933 -1.38667831171 0.451587643789 TCL: atom 1: phi = 0.653137307921 TCL: Center of mass = 19.8755112283 -1.38736564782 0.451673012544 TCL: atom 1: phi = 0.652800479728 TCL: Center of mass = 19.8770805049 -1.38807235799 0.45178804014 TCL: atom 1: phi = 0.652440605605 TCL: Center of mass = 19.8786305553 -1.38879293114 0.451891732349 TCL: atom 1: phi = 0.652183378613 TCL: Center of mass = 19.8801699974 -1.38949167981 0.45198655478 TCL: atom 1: phi = 0.651851259881 TCL: Center of mass = 19.8817032338 -1.39014641566 0.452038571514 TCL: atom 1: phi = 0.6515312949 TCL: Center of mass = 19.8832039555 -1.39074672696 0.452079872398 TCL: atom 1: phi = 0.651074193915 TCL: Center of mass = 19.884693966 -1.39132569648 0.452099830775 TCL: atom 1: phi = 0.650652748648 TCL: Center of mass = 19.8861737531 -1.39186207102 0.452132630522 TCL: atom 1: phi = 0.650180734213 TCL: Center of mass = 19.8876422938 -1.39239922358 0.452168096424 TCL: atom 1: phi = 0.649808365614 TCL: Center of mass = 19.8890838646 -1.39292186029 0.45221587609 TCL: atom 1: phi = 0.649515270347 TCL: Center of mass = 19.890520256 -1.39347857359 0.452253473019 TCL: atom 1: phi = 0.649446280607 TCL: Center of mass = 19.891947668 -1.3940657939 0.452280731527 TCL: atom 1: phi = 0.649535024279 TCL: Center of mass = 19.8933657961 -1.39466417401 0.452281930912 TCL: atom 1: phi = 0.649842525667 TCL: Center of mass = 19.8947755576 -1.39523959322 0.452277031681 TCL: atom 1: phi = 0.650169959741 TCL: Center of mass = 19.8962068747 -1.39579201026 0.452282250999 TCL: atom 1: phi = 0.650669234071 TCL: Center of mass = 19.8976676938 -1.39628549348 0.452298235714 TCL: atom 1: phi = 0.651142866573 TCL: Center of mass = 19.8991492174 -1.39673690308 0.452341216659 TCL: atom 1: phi = 0.651711914978 TCL: Center of mass = 19.9006403506 -1.39713983166 0.452415999083 TCL: atom 1: phi = 0.652220803901 TCL: Center of mass = 19.9021670905 -1.39752666392 0.452531549135 TCL: atom 1: phi = 0.652842267439 TCL: Center of mass = 19.9036991474 -1.39789821158 0.452692808361 TCL: atom 1: phi = 0.653486315673 TCL: Center of mass = 19.9052610728 -1.39828497887 0.452873752472 TCL: atom 1: phi = 0.654339906575 TCL: Center of mass = 19.9068343235 -1.39869383697 0.453084393876 TCL: atom 1: phi = 0.655337887001 TCL: Center of mass = 19.9084273252 -1.3991019493 0.453309547745 TCL: atom 1: phi = 0.656537249015 TCL: Center of mass = 19.9100188847 -1.39949000734 0.45356989694 TCL: atom 1: phi = 0.657786868259 TCL: Center of mass = 19.9116447331 -1.39984402179 0.453845404004 TCL: atom 1: phi = 0.659166888612 TCL: Center of mass = 19.9132734272 -1.40014368075 0.454161466186 TCL: atom 1: phi = 0.660476305535 TCL: Center of mass = 19.9149015392 -1.40041889824 0.454505619722 TCL: atom 1: phi = 0.661802777267 TCL: Center of mass = 19.9165252229 -1.40067016287 0.454854445287 TCL: atom 1: phi = 0.663000025048 TCL: Center of mass = 19.918124242 -1.40092803082 0.455214422926 TCL: atom 1: phi = 0.664258980583 TCL: Center of mass = 19.9196528136 -1.40119352821 0.455579857042 TCL: atom 1: phi = 0.665478861064 TCL: Center of mass = 19.9211553474 -1.40147758689 0.455927134707 TCL: atom 1: phi = 0.666828924544 TCL: Center of mass = 19.9226281068 -1.401786486 0.456256828786 TCL: atom 1: phi = 0.668137258391 TCL: Center of mass = 19.9240829327 -1.40213739119 0.456586977893 TCL: atom 1: phi = 0.669510618226 TCL: Center of mass = 19.9255203835 -1.40247434413 0.456912458547 TCL: atom 1: phi = 0.670656164375 TCL: Center of mass = 19.92695521 -1.40283649254 0.457259856361 TCL: atom 1: phi = 0.671754477241 TCL: Center of mass = 19.9283811956 -1.40318427583 0.45763063877 TCL: atom 1: phi = 0.672435395946 TCL: Center of mass = 19.9298475062 -1.40353625972 0.45802771172 TCL: atom 1: phi = 0.672884380428 TCL: Center of mass = 19.9312951772 -1.40387074491 0.458408531315 TCL: atom 1: phi = 0.672899644442 TCL: Center of mass = 19.9327372386 -1.40419825734 0.458784110992 TCL: atom 1: phi = 0.672727526685 TCL: Center of mass = 19.9341407153 -1.40450980011 0.459148171174 TCL: atom 1: phi = 0.672172732578 TCL: Center of mass = 19.9355356315 -1.40482978813 0.459490352996 TCL: atom 1: phi = 0.671565135603 TCL: Center of mass = 19.9368926331 -1.40513548353 0.459817961046 TCL: atom 1: phi = 0.670676826597 TCL: Center of mass = 19.9382668773 -1.40544641326 0.460154958979 TCL: atom 1: phi = 0.669875893788 TCL: Center of mass = 19.9396403156 -1.40573027614 0.460506331217 TCL: atom 1: phi = 0.668954681745 TCL: Center of mass = 19.941066807 -1.40599488287 0.46089551766 TCL: atom 1: phi = 0.668060729236 TCL: Center of mass = 19.9424966133 -1.40619807087 0.461295439012 TCL: atom 1: phi = 0.667030740182 TCL: Center of mass = 19.9439607201 -1.4063744296 0.461748996989 TCL: atom 1: phi = 0.666067108394 TCL: Center of mass = 19.9454084402 -1.40650255062 0.462201448688 TCL: atom 1: phi = 0.665032976371 TCL: Center of mass = 19.9468535214 -1.40660989562 0.462680657454 TCL: atom 1: phi = 0.664174019206 TCL: Center of mass = 19.9482812215 -1.40671668463 0.463103156282 TCL: atom 1: phi = 0.663442667819 WRITING COORDINATES TO DCD FILE AT STEP 14400 WRITING COORDINATES TO RESTART FILE AT STEP 14400 FINISHED WRITING RESTART COORDINATES TIMING: 14400 CPU: 770.225, 0.0539218/step Wall: 919.656, 0.0638947/step, 0.0993917 hours remaining, 13612 kB of memory in use. ENERGY: 14400 3493.5912 2516.2292 392.6362 37.7612 -44791.2406 4138.1440 0.0000 0.0000 9804.5841 -24408.2949 290.6478 -24261.7337 -24260.5184 293.2950 1939.4470 -272.3099 125000.0000 -453.7999 -453.4117 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14400 WRITING VELOCITIES TO RESTART FILE AT STEP 14400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.9497035349 -1.40684796492 0.463499501424 TCL: atom 1: phi = 0.663009519278 TCL: Center of mass = 19.9511066634 -1.4069887956 0.4638432774 TCL: atom 1: phi = 0.66274463786 TCL: Center of mass = 19.9525256801 -1.40716927077 0.464181099384 TCL: atom 1: phi = 0.662899564995 TCL: Center of mass = 19.9539596612 -1.40736656606 0.46448189882 TCL: atom 1: phi = 0.663262507244 TCL: Center of mass = 19.9554379807 -1.40758746256 0.464801387482 TCL: atom 1: phi = 0.66395565628 TCL: Center of mass = 19.956914472 -1.40778007291 0.465091858568 TCL: atom 1: phi = 0.664736308184 TCL: Center of mass = 19.9584107116 -1.40798046503 0.465419410071 TCL: atom 1: phi = 0.665679748606 TCL: Center of mass = 19.9598878571 -1.40818600794 0.4657275489 TCL: atom 1: phi = 0.666627053659 TCL: Center of mass = 19.9613773327 -1.40843039996 0.466052243554 TCL: atom 1: phi = 0.667677174157 TCL: Center of mass = 19.9628380088 -1.40870242302 0.466298111433 TCL: atom 1: phi = 0.668670719935 TCL: Center of mass = 19.9643012259 -1.40903588249 0.466503028756 TCL: atom 1: phi = 0.669724518501 TCL: Center of mass = 19.9657782201 -1.40941988646 0.466644677901 TCL: atom 1: phi = 0.670713680119 TCL: Center of mass = 19.967281203 -1.40983547297 0.466759490199 TCL: atom 1: phi = 0.671774579052 TCL: Center of mass = 19.9687842344 -1.41025942547 0.466841405098 TCL: atom 1: phi = 0.672772051549 TCL: Center of mass = 19.9703568253 -1.41069682186 0.466929278421 TCL: atom 1: phi = 0.673807347148 TCL: Center of mass = 19.9719644731 -1.4110985138 0.467027839659 TCL: atom 1: phi = 0.674620464748 TCL: Center of mass = 19.9736291935 -1.41148460592 0.467164867255 TCL: atom 1: phi = 0.675305094984 TCL: Center of mass = 19.9753166537 -1.41184100002 0.467319339964 TCL: atom 1: phi = 0.675602494753 TCL: Center of mass = 19.9770199157 -1.41220664865 0.467475604723 TCL: atom 1: phi = 0.675687248651 TCL: Center of mass = 19.9787086387 -1.4125645423 0.467593625717 TCL: atom 1: phi = 0.675402641662 TCL: Center of mass = 19.9804254052 -1.41291961221 0.467681946469 TCL: atom 1: phi = 0.675019899651 TCL: Center of mass = 19.9821258705 -1.41328294727 0.467719906864 TCL: atom 1: phi = 0.674407185701 TCL: Center of mass = 19.983832279 -1.41364462904 0.467708787033 TCL: atom 1: phi = 0.67385034703 TCL: Center of mass = 19.9855450279 -1.41398702586 0.467639725307 TCL: atom 1: phi = 0.673252350336 TCL: Center of mass = 19.9872630892 -1.41433029935 0.467563083175 TCL: atom 1: phi = 0.672745625763 TCL: Center of mass = 19.9889761779 -1.4146692001 0.467464038546 TCL: atom 1: phi = 0.672071255074 TCL: Center of mass = 19.9906931699 -1.41500961546 0.467381011573 TCL: atom 1: phi = 0.67147718407 TCL: Center of mass = 19.9923982266 -1.41536617163 0.467275608398 TCL: atom 1: phi = 0.670696201618 TCL: Center of mass = 19.9941058575 -1.41574713057 0.467152897547 TCL: atom 1: phi = 0.669963869418 TCL: Center of mass = 19.9957592261 -1.41611909306 0.466983060165 TCL: atom 1: phi = 0.66911730363 TCL: Center of mass = 19.9973814137 -1.41651459521 0.466795777215 TCL: atom 1: phi = 0.668495440826 TCL: Center of mass = 19.9989550069 -1.41690763842 0.466568242977 TCL: atom 1: phi = 0.667952908876 TCL: Center of mass = 20.0004930169 -1.41730001125 0.466332045918 TCL: atom 1: phi = 0.667739862628 TCL: Center of mass = 20.0019948891 -1.41767506959 0.466071184689 TCL: atom 1: phi = 0.667637539393 TCL: Center of mass = 20.0034826079 -1.41802917963 0.465834677382 TCL: atom 1: phi = 0.667789636749 TCL: Center of mass = 20.0049813146 -1.41833442119 0.465608177093 TCL: atom 1: phi = 0.668018610163 TCL: Center of mass = 20.0064728023 -1.41862997637 0.465407688189 TCL: atom 1: phi = 0.668448372183 TCL: Center of mass = 20.0079276571 -1.4189355424 0.4652227518 TCL: atom 1: phi = 0.668778941884 TCL: Center of mass = 20.0093904288 -1.41927165726 0.465089987194 TCL: atom 1: phi = 0.669268298843 TCL: Center of mass = 20.0108177956 -1.41960461796 0.464973212096 TCL: atom 1: phi = 0.669662971577 TCL: Center of mass = 20.0122409073 -1.41994296431 0.464881318673 TCL: atom 1: phi = 0.67025291491 TCL: Center of mass = 20.0136378804 -1.42025590459 0.464762946849 TCL: atom 1: phi = 0.670823913456 TCL: Center of mass = 20.015057147 -1.42054999078 0.464645444564 TCL: atom 1: phi = 0.671662373539 TCL: Center of mass = 20.016482969 -1.42077518911 0.464516547439 TCL: atom 1: phi = 0.672531220306 TCL: Center of mass = 20.0179257678 -1.42094754678 0.46438342329 TCL: atom 1: phi = 0.67363125131 TCL: Center of mass = 20.0193774523 -1.4210992532 0.464236553426 TCL: atom 1: phi = 0.67456718359 TCL: Center of mass = 20.0208494713 -1.42123058028 0.464071169617 TCL: atom 1: phi = 0.675548623817 TCL: Center of mass = 20.0223130464 -1.42135726326 0.463886715266 TCL: atom 1: phi = 0.676204752686 TCL: Center of mass = 20.0237751367 -1.42152534893 0.463686141024 TCL: atom 1: phi = 0.676765382398 TCL: Center of mass = 20.0252179257 -1.42173828614 0.463429333633 TCL: atom 1: phi = 0.67689543492 TCL: Center of mass = 20.0266490535 -1.4219790196 0.463139802058 TCL: atom 1: phi = 0.676890955419 TCL: Center of mass = 20.0280499799 -1.4222569138 0.462807686367 TCL: atom 1: phi = 0.67657897958 TCL: Center of mass = 20.0294548399 -1.422550844 0.462448392705 TCL: atom 1: phi = 0.676192169221 TCL: Center of mass = 20.0308456152 -1.42281385114 0.462080757566 TCL: atom 1: phi = 0.675554029235 TCL: Center of mass = 20.0322303186 -1.42307058976 0.461709946549 TCL: atom 1: phi = 0.67491325398 TCL: Center of mass = 20.0335908048 -1.42330916456 0.461353034578 TCL: atom 1: phi = 0.674046702543 TCL: Center of mass = 20.0349367056 -1.42353045301 0.460997786341 TCL: atom 1: phi = 0.673075061966 TCL: Center of mass = 20.0362493347 -1.4237708337 0.460652725664 TCL: atom 1: phi = 0.671858117643 TCL: Center of mass = 20.0375554054 -1.42406767671 0.460314540931 TCL: atom 1: phi = 0.670554656414 TCL: Center of mass = 20.038850122 -1.42438647659 0.459974036669 TCL: atom 1: phi = 0.669011430294 TCL: Center of mass = 20.0401538352 -1.42474784734 0.459642859665 TCL: atom 1: phi = 0.667491219542 TCL: Center of mass = 20.0414672248 -1.42510124498 0.459332935732 TCL: atom 1: phi = 0.665890633654 TCL: Center of mass = 20.0428041587 -1.42545616382 0.459070917827 TCL: atom 1: phi = 0.664452465596 TCL: Center of mass = 20.0441608247 -1.42576794645 0.4588517047 TCL: atom 1: phi = 0.6630850831 TCL: Center of mass = 20.0455481463 -1.42604217642 0.458673603309 TCL: atom 1: phi = 0.661929960972 TCL: Center of mass = 20.0469526247 -1.42625311789 0.458522609425 TCL: atom 1: phi = 0.660843470588 TCL: Center of mass = 20.048350112 -1.42641681383 0.458411887455 TCL: atom 1: phi = 0.659942992938 TCL: Center of mass = 20.0497310811 -1.42655703271 0.458299528399 TCL: atom 1: phi = 0.658941191368 TCL: Center of mass = 20.0511172557 -1.42671066913 0.458184712079 TCL: atom 1: phi = 0.657984168354 TCL: Center of mass = 20.0525032571 -1.42686490827 0.458069154766 TCL: atom 1: phi = 0.656911649115 TCL: Center of mass = 20.0539089636 -1.42702907586 0.457929814483 TCL: atom 1: phi = 0.655850584609 TCL: Center of mass = 20.0553366633 -1.42717933191 0.45775327141 TCL: atom 1: phi = 0.654710798477 TCL: Center of mass = 20.0567971974 -1.42729893967 0.457569872262 TCL: atom 1: phi = 0.653746463782 TCL: Center of mass = 20.0582826735 -1.4273742457 0.457382206922 TCL: atom 1: phi = 0.652886856788 TCL: Center of mass = 20.0597758452 -1.42741885941 0.457197148849 TCL: atom 1: phi = 0.652189633825 TCL: Center of mass = 20.0612553622 -1.42741938847 0.456997007032 TCL: atom 1: phi = 0.651508078398 TCL: Center of mass = 20.0627454499 -1.42741438839 0.456787241412 TCL: atom 1: phi = 0.650890752592 TCL: Center of mass = 20.0642061426 -1.42739531815 0.456586786261 TCL: atom 1: phi = 0.650193424728 TCL: Center of mass = 20.0656244617 -1.42740714253 0.456361438982 TCL: atom 1: phi = 0.64946434684 TCL: Center of mass = 20.0670015128 -1.42743724811 0.456132622594 TCL: atom 1: phi = 0.648604051516 TCL: Center of mass = 20.0683891251 -1.42752672246 0.455902255254 TCL: atom 1: phi = 0.647719645863 TCL: Center of mass = 20.069761292 -1.42764264492 0.45567248813 TCL: atom 1: phi = 0.646736192784 TCL: Center of mass = 20.0711895515 -1.4277938165 0.455467054591 TCL: atom 1: phi = 0.64589135079 TCL: Center of mass = 20.0726349396 -1.42793097953 0.455296640558 TCL: atom 1: phi = 0.645126563121 TCL: Center of mass = 20.0741230877 -1.42805770739 0.455195951628 TCL: atom 1: phi = 0.644629286572 TCL: Center of mass = 20.0756123196 -1.4281789668 0.455146419804 TCL: atom 1: phi = 0.644205520141 TCL: Center of mass = 20.0770958233 -1.42830630111 0.455139611363 TCL: atom 1: phi = 0.643897405972 TCL: Center of mass = 20.0785472675 -1.4284335372 0.455165283867 TCL: atom 1: phi = 0.643557681292 TCL: Center of mass = 20.0799898636 -1.42857091991 0.455198084589 TCL: atom 1: phi = 0.643157946919 TCL: Center of mass = 20.0814003765 -1.42874230151 0.455217072013 TCL: atom 1: phi = 0.642521864874 TCL: Center of mass = 20.0828128385 -1.42893890748 0.455210224487 TCL: atom 1: phi = 0.641790118053 TCL: Center of mass = 20.0842350031 -1.42915280877 0.455188009473 TCL: atom 1: phi = 0.640833526479 TCL: Center of mass = 20.0856884753 -1.42935786775 0.455192973177 TCL: atom 1: phi = 0.639899387606 TCL: Center of mass = 20.0871650845 -1.42953988772 0.455190003592 TCL: atom 1: phi = 0.638838520519 TCL: Center of mass = 20.0886876641 -1.42969931438 0.455191314287 TCL: atom 1: phi = 0.637815261073 TCL: Center of mass = 20.0902484208 -1.42981829558 0.455202470958 TCL: atom 1: phi = 0.63675353059 TCL: Center of mass = 20.0918167568 -1.4299187699 0.455196992516 TCL: atom 1: phi = 0.635747641312 TCL: Center of mass = 20.0933503823 -1.43000525256 0.455196588555 TCL: atom 1: phi = 0.634669687224 TCL: Center of mass = 20.0948789782 -1.43009941046 0.455166822821 TCL: atom 1: phi = 0.633649439402 TCL: Center of mass = 20.0963659995 -1.43020920604 0.455075662582 TCL: atom 1: phi = 0.632574433742 WRITING COORDINATES TO DCD FILE AT STEP 14500 WRITING COORDINATES TO RESTART FILE AT STEP 14500 FINISHED WRITING RESTART COORDINATES TIMING: 14500 CPU: 775.621, 0.0539618/step Wall: 926.087, 0.0643106/step, 0.0982522 hours remaining, 13612 kB of memory in use. ENERGY: 14500 3552.5530 2537.1447 397.2409 41.3103 -44784.1870 4111.4936 0.0000 0.0000 9804.8991 -24339.5453 290.6571 -24192.2350 -24194.7057 293.2455 1198.4421 -624.0330 125000.0000 -397.8907 -390.5562 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14500 WRITING VELOCITIES TO RESTART FILE AT STEP 14500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 20.0978527126 -1.43035736507 0.454938645739 TCL: atom 1: phi = 0.631564305915 TCL: Center of mass = 20.0993016109 -1.43051122821 0.454775205109 TCL: atom 1: phi = 0.630557435555 TCL: Center of mass = 20.1007642607 -1.4306879755 0.454610133423 TCL: atom 1: phi = 0.629733752624 TCL: Center of mass = 20.1022127671 -1.43088268199 0.454444817445 TCL: atom 1: phi = 0.629000554283 TCL: Center of mass = 20.1036941668 -1.43108404089 0.454303200462 TCL: atom 1: phi = 0.628526986502 TCL: Center of mass = 20.1052051148 -1.43129685912 0.454180983264 TCL: atom 1: phi = 0.62822595344 TCL: Center of mass = 20.1067451814 -1.43153438087 0.454082796375 TCL: atom 1: phi = 0.628180655091 TCL: Center of mass = 20.1082669321 -1.43180431196 0.453977998668 TCL: atom 1: phi = 0.628154327127 TCL: Center of mass = 20.1097904698 -1.43210783325 0.453881636218 TCL: atom 1: phi = 0.62816171638 TCL: Center of mass = 20.1112920488 -1.43242028397 0.453737347397 TCL: atom 1: phi = 0.628015776086 TCL: Center of mass = 20.1127892349 -1.43274717802 0.453573506256 TCL: atom 1: phi = 0.627875506035 TCL: Center of mass = 20.1142726008 -1.43307006534 0.45339455331 TCL: atom 1: phi = 0.627632965571 TCL: Center of mass = 20.1157489676 -1.4333773123 0.453204922057 TCL: atom 1: phi = 0.627429664283 TCL: Center of mass = 20.1172190185 -1.43366489561 0.453015715431 TCL: atom 1: phi = 0.62712558667 TCL: Center of mass = 20.1187138433 -1.43391788098 0.452859316215 TCL: atom 1: phi = 0.626940503584 TCL: Center of mass = 20.1201960104 -1.43412487883 0.452732629115 TCL: atom 1: phi = 0.626748720965 TCL: Center of mass = 20.1216859742 -1.43432195305 0.452641436884 TCL: atom 1: phi = 0.626667459153 TCL: Center of mass = 20.1231672273 -1.43450571955 0.452575612879 TCL: atom 1: phi = 0.626470086676 TCL: Center of mass = 20.1246523899 -1.43470283505 0.452540640635 TCL: atom 1: phi = 0.626255799586 TCL: Center of mass = 20.1261437242 -1.43489640755 0.452535530379 TCL: atom 1: phi = 0.62585917847 TCL: Center of mass = 20.1276195735 -1.4350852542 0.452531111062 TCL: atom 1: phi = 0.625427185362 TCL: Center of mass = 20.12906868 -1.43526516074 0.452538946893 TCL: atom 1: phi = 0.624808090477 TCL: Center of mass = 20.1305243002 -1.43543101661 0.452569797253 TCL: atom 1: phi = 0.624176363559 TCL: Center of mass = 20.1319594513 -1.43555231086 0.452613069701 TCL: atom 1: phi = 0.62349818564 TCL: Center of mass = 20.1333962375 -1.43564745223 0.452667413429 TCL: atom 1: phi = 0.622964864549 TCL: Center of mass = 20.1348110008 -1.43572318671 0.452766221001 TCL: atom 1: phi = 0.622521120303 TCL: Center of mass = 20.1362349919 -1.43583175224 0.452911813166 TCL: atom 1: phi = 0.622291444696 TCL: Center of mass = 20.1376277658 -1.43597478955 0.453089346742 TCL: atom 1: phi = 0.622177812778 TCL: Center of mass = 20.1390186719 -1.43617633637 0.453288823869 TCL: atom 1: phi = 0.622217051548 TCL: Center of mass = 20.1403859193 -1.43643750649 0.453475685011 TCL: atom 1: phi = 0.622237094019 TCL: Center of mass = 20.1417480785 -1.43672342307 0.453655100747 TCL: atom 1: phi = 0.622304508257 TCL: Center of mass = 20.143097367 -1.4370122737 0.45381867297 TCL: atom 1: phi = 0.622351792475 TCL: Center of mass = 20.1444531202 -1.43727357103 0.453987134697 TCL: atom 1: phi = 0.62255371113 TCL: Center of mass = 20.1457984112 -1.43748695359 0.454174247574 TCL: atom 1: phi = 0.622816213584 TCL: Center of mass = 20.1471616003 -1.43767192154 0.454346561344 TCL: atom 1: phi = 0.623357898799 TCL: Center of mass = 20.1485159468 -1.43783894477 0.454506308014 TCL: atom 1: phi = 0.623993112522 TCL: Center of mass = 20.1498723465 -1.43802423155 0.454661248932 TCL: atom 1: phi = 0.624884301816 TCL: Center of mass = 20.151234723 -1.43821606569 0.454823651906 TCL: atom 1: phi = 0.625800700961 TCL: Center of mass = 20.1526254855 -1.43843619246 0.454996729812 TCL: atom 1: phi = 0.626842957133 TCL: Center of mass = 20.1540312271 -1.43863642751 0.455195801212 TCL: atom 1: phi = 0.627743114887 TCL: Center of mass = 20.1554583951 -1.43885490902 0.455413602972 TCL: atom 1: phi = 0.628607324208 TCL: Center of mass = 20.1569213425 -1.439056466 0.455653504546 TCL: atom 1: phi = 0.629264808745 TCL: Center of mass = 20.1584219147 -1.43923691215 0.455959847395 TCL: atom 1: phi = 0.629955556278 TCL: Center of mass = 20.159930726 -1.43932720654 0.456299017953 TCL: atom 1: phi = 0.630576207427 TCL: Center of mass = 20.1614305492 -1.43936930252 0.456668821788 TCL: atom 1: phi = 0.631299240545 TCL: Center of mass = 20.1629473788 -1.43937471414 0.457041269453 TCL: atom 1: phi = 0.632000574036 TCL: Center of mass = 20.1644749978 -1.43937953881 0.457434417002 TCL: atom 1: phi = 0.63282089932 TCL: Center of mass = 20.1659960154 -1.4393623301 0.457824048982 TCL: atom 1: phi = 0.633646389783 TCL: Center of mass = 20.1675323861 -1.43936449449 0.458213270423 TCL: atom 1: phi = 0.634512167094 TCL: Center of mass = 20.1690914195 -1.43939140758 0.458592005878 TCL: atom 1: phi = 0.635260485614 TCL: Center of mass = 20.1706797733 -1.43944407328 0.458969267888 TCL: atom 1: phi = 0.636006088776 TCL: Center of mass = 20.172312613 -1.43948572998 0.459355285507 TCL: atom 1: phi = 0.636600192803 TCL: Center of mass = 20.1739718035 -1.43952060905 0.459758960691 TCL: atom 1: phi = 0.637240119385 TCL: Center of mass = 20.1756550335 -1.43951029236 0.46018815636 TCL: atom 1: phi = 0.637789776861 TCL: Center of mass = 20.1773493534 -1.43946893986 0.460624168244 TCL: atom 1: phi = 0.638484203926 TCL: Center of mass = 20.1790212032 -1.43938636338 0.461044650179 TCL: atom 1: phi = 0.639146103458 TCL: Center of mass = 20.180683491 -1.43930181141 0.461438425327 TCL: atom 1: phi = 0.639926637498 TCL: Center of mass = 20.1823249636 -1.43923544905 0.461774588271 TCL: atom 1: phi = 0.640668530384 TCL: Center of mass = 20.1839577755 -1.43921407901 0.46206027083 TCL: atom 1: phi = 0.641503447299 TCL: Center of mass = 20.1855708739 -1.43919002064 0.4622978716 TCL: atom 1: phi = 0.642189011691 TCL: Center of mass = 20.1872029682 -1.4391795519 0.462516498632 TCL: atom 1: phi = 0.642942961318 TCL: Center of mass = 20.1888417616 -1.43914832308 0.462725223175 TCL: atom 1: phi = 0.643545728395 TCL: Center of mass = 20.1905010284 -1.43910830681 0.462945531368 TCL: atom 1: phi = 0.644144376873 TCL: Center of mass = 20.1921843796 -1.43901630478 0.463206242155 TCL: atom 1: phi = 0.644616786366 TCL: Center of mass = 20.1938825426 -1.43888662823 0.463516544152 TCL: atom 1: phi = 0.645234819219 TCL: Center of mass = 20.195593399 -1.43870164982 0.463850384362 TCL: atom 1: phi = 0.645846361095 TCL: Center of mass = 20.1973005317 -1.43848379371 0.464196292736 TCL: atom 1: phi = 0.646699834117 TCL: Center of mass = 20.1989752953 -1.4382399702 0.464545399674 TCL: atom 1: phi = 0.647590136371 TCL: Center of mass = 20.2006395387 -1.4380086161 0.464891228997 TCL: atom 1: phi = 0.648729028825 TCL: Center of mass = 20.2023089328 -1.43779331598 0.465242740709 TCL: atom 1: phi = 0.649858269777 TCL: Center of mass = 20.2039975733 -1.43759600511 0.465608395475 TCL: atom 1: phi = 0.651097698939 TCL: Center of mass = 20.2057434625 -1.43740677104 0.466028590389 TCL: atom 1: phi = 0.652233561859 TCL: Center of mass = 20.2075349907 -1.4372134664 0.466512943737 TCL: atom 1: phi = 0.653452462937 TCL: Center of mass = 20.2093419027 -1.4369965557 0.4670443851 TCL: atom 1: phi = 0.654582572752 TCL: Center of mass = 20.2111778644 -1.43676332588 0.46763338166 TCL: atom 1: phi = 0.655807551995 TCL: Center of mass = 20.2130118471 -1.43652599848 0.468240408218 TCL: atom 1: phi = 0.656947602502 TCL: Center of mass = 20.2148405598 -1.43629990022 0.46886497783 TCL: atom 1: phi = 0.658176194304 TCL: Center of mass = 20.216614692 -1.43606176654 0.469467603627 TCL: atom 1: phi = 0.659188882117 TCL: Center of mass = 20.2183618334 -1.4358421295 0.470046105221 TCL: atom 1: phi = 0.660147073473 TCL: Center of mass = 20.2200734153 -1.43563826996 0.470581013859 TCL: atom 1: phi = 0.660731994287 TCL: Center of mass = 20.2218001192 -1.43549465078 0.471083475128 TCL: atom 1: phi = 0.661185920838 TCL: Center of mass = 20.2235251795 -1.43533394638 0.471558426904 TCL: atom 1: phi = 0.661269784843 TCL: Center of mass = 20.2252529543 -1.43520074279 0.472038657117 TCL: atom 1: phi = 0.661284721134 TCL: Center of mass = 20.2269769089 -1.43505142402 0.472532655479 TCL: atom 1: phi = 0.660993391463 TCL: Center of mass = 20.2287082034 -1.43490130908 0.473045457045 TCL: atom 1: phi = 0.660722060284 TCL: Center of mass = 20.2304139287 -1.43474159983 0.473566745483 TCL: atom 1: phi = 0.660316313671 TCL: Center of mass = 20.2320827448 -1.43458401097 0.474085486641 TCL: atom 1: phi = 0.660141341261 TCL: Center of mass = 20.233723923 -1.43444002997 0.474592588111 TCL: atom 1: phi = 0.659946006801 TCL: Center of mass = 20.2353441463 -1.43428923755 0.475078287675 TCL: atom 1: phi = 0.66002284596 TCL: Center of mass = 20.2369178046 -1.43415943196 0.475495176215 TCL: atom 1: phi = 0.660016281179 TCL: Center of mass = 20.2384985982 -1.43403214291 0.47587272759 TCL: atom 1: phi = 0.66018730153 TCL: Center of mass = 20.2400732254 -1.43389998107 0.476209737514 TCL: atom 1: phi = 0.660255097651 TCL: Center of mass = 20.2416771422 -1.43377732933 0.476530507032 TCL: atom 1: phi = 0.660493959796 TCL: Center of mass = 20.2432702285 -1.4336529657 0.476848317671 TCL: atom 1: phi = 0.660618571912 TCL: Center of mass = 20.2448730766 -1.43356373972 0.477186403388 TCL: atom 1: phi = 0.66091275712 TCL: Center of mass = 20.2464525376 -1.43349064413 0.477547235629 TCL: atom 1: phi = 0.661138580119 TCL: Center of mass = 20.2480495118 -1.43345321628 0.477910751792 TCL: atom 1: phi = 0.661573571652 TCL: Center of mass = 20.2496261234 -1.43345740175 0.478267733274 TCL: atom 1: phi = 0.661864690576 TCL: Center of mass = 20.2512029385 -1.43350641535 0.478615430722 TCL: atom 1: phi = 0.66235831252 TCL: Center of mass = 20.2527288448 -1.43357268109 0.47895241003 TCL: atom 1: phi = 0.662678233662 WRITING COORDINATES TO DCD FILE AT STEP 14600 WRITING COORDINATES TO RESTART FILE AT STEP 14600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14600 FINISHED WRITING RESTART VELOCITIES TIMING: 14600 CPU: 781.019, 0.0539818/step Wall: 932.481, 0.0639452/step, 0.0959178 hours remaining, 13612 kB of memory in use. ENERGY: 14600 3492.3397 2430.3557 390.1053 40.5935 -44596.3791 4072.3184 0.0000 0.0000 9861.1637 -24309.5029 292.3250 -24165.6833 -24156.2649 294.1550 943.0800 -677.3405 125000.0000 -707.7660 -709.9808 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14600 TCL: Center of mass = 20.2542474936 -1.43364900701 0.479284708513 TCL: atom 1: phi = 0.663000464723 TCL: Center of mass = 20.255735468 -1.43369814117 0.479626557439 TCL: atom 1: phi = 0.662989658495 TCL: Center of mass = 20.2572536874 -1.433750076 0.479979518713 TCL: atom 1: phi = 0.662965898687 TCL: Center of mass = 20.2587535892 -1.43379697628 0.480349901625 TCL: atom 1: phi = 0.662587441619 TCL: Center of mass = 20.2602666398 -1.43387088993 0.480756049133 TCL: atom 1: phi = 0.662274315486 TCL: Center of mass = 20.2617642344 -1.43392623799 0.481209494418 TCL: atom 1: phi = 0.661797006228 TCL: Center of mass = 20.2632823989 -1.43401501036 0.481683320611 TCL: atom 1: phi = 0.66147445528 TCL: Center of mass = 20.2647791645 -1.43411024382 0.482170397115 TCL: atom 1: phi = 0.661032334584 TCL: Center of mass = 20.2662875824 -1.43422307626 0.482676712278 TCL: atom 1: phi = 0.660692597695 TCL: Center of mass = 20.2677941004 -1.43433719856 0.483192971617 TCL: atom 1: phi = 0.660174751151 TCL: Center of mass = 20.269291217 -1.43444562064 0.483710536419 TCL: atom 1: phi = 0.659736510588 TCL: Center of mass = 20.2707573559 -1.43453287206 0.484215901416 TCL: atom 1: phi = 0.65913614693 TCL: Center of mass = 20.2722244604 -1.43459256911 0.484748423091 TCL: atom 1: phi = 0.658567631694 TCL: Center of mass = 20.2736606601 -1.43464323061 0.48529602738 TCL: atom 1: phi = 0.657906484591 TCL: Center of mass = 20.275064466 -1.43467073206 0.485848322147 TCL: atom 1: phi = 0.657384543423 TCL: Center of mass = 20.2764302907 -1.43471939441 0.486427821341 TCL: atom 1: phi = 0.656901470634 TCL: Center of mass = 20.2777948576 -1.43481561132 0.487009159688 TCL: atom 1: phi = 0.656727801036 TCL: Center of mass = 20.2791084071 -1.43494493951 0.487574918673 TCL: atom 1: phi = 0.656702267818 TCL: Center of mass = 20.2804157538 -1.43512709336 0.488149956485 TCL: atom 1: phi = 0.656938573717 TCL: Center of mass = 20.2816788454 -1.43533313797 0.488715297204 TCL: atom 1: phi = 0.65721584488 TCL: Center of mass = 20.2829302732 -1.43559005697 0.489291535048 TCL: atom 1: phi = 0.657638937854 TCL: Center of mass = 20.2841672982 -1.4358372685 0.489865676628 TCL: atom 1: phi = 0.65800194706 TCL: Center of mass = 20.2854101963 -1.4360963846 0.490439588732 TCL: atom 1: phi = 0.658461132006 TCL: Center of mass = 20.2866000287 -1.4363503033 0.491016776031 TCL: atom 1: phi = 0.658892626745 TCL: Center of mass = 20.2877610704 -1.43661645928 0.491591435225 TCL: atom 1: phi = 0.659457324626 TCL: Center of mass = 20.2888854927 -1.43688260866 0.492158899451 TCL: atom 1: phi = 0.660092028739 TCL: Center of mass = 20.2899916895 -1.43719203795 0.492706246977 TCL: atom 1: phi = 0.660973930043 TCL: Center of mass = 20.2910578802 -1.43753158755 0.493231138202 TCL: atom 1: phi = 0.661991574746 TCL: Center of mass = 20.2921459168 -1.4379096699 0.493740043165 TCL: atom 1: phi = 0.663253220538 TCL: Center of mass = 20.2932484232 -1.43828484822 0.494243854202 TCL: atom 1: phi = 0.664602047291 TCL: Center of mass = 20.2944086052 -1.43865895593 0.494750965233 TCL: atom 1: phi = 0.666130690225 TCL: Center of mass = 20.2955956006 -1.43900402866 0.495264034464 TCL: atom 1: phi = 0.667657683507 TCL: Center of mass = 20.2968311134 -1.43929663666 0.495780236286 TCL: atom 1: phi = 0.669304947194 TCL: Center of mass = 20.2980845199 -1.43953299721 0.496285054736 TCL: atom 1: phi = 0.670927569354 TCL: Center of mass = 20.2993661003 -1.43972904636 0.496773888976 TCL: atom 1: phi = 0.672586989118 TCL: Center of mass = 20.300629299 -1.43987374029 0.497232924602 TCL: atom 1: phi = 0.674164153803 TCL: Center of mass = 20.3019177875 -1.44000111255 0.497656268502 TCL: atom 1: phi = 0.675750416059 TCL: Center of mass = 20.3032102814 -1.44014745177 0.498021359754 TCL: atom 1: phi = 0.677239521257 TCL: Center of mass = 20.3045376127 -1.44029934388 0.498372170864 TCL: atom 1: phi = 0.678659061902 TCL: Center of mass = 20.305914342 -1.44045256419 0.498740453086 TCL: atom 1: phi = 0.679863350876 TCL: Center of mass = 20.3073525476 -1.44060658159 0.499133487965 TCL: atom 1: phi = 0.680902940571 TCL: Center of mass = 20.3088128984 -1.44075883148 0.499562310796 TCL: atom 1: phi = 0.681661859586 TCL: Center of mass = 20.3103157674 -1.44088835323 0.500031897855 TCL: atom 1: phi = 0.682129879555 TCL: Center of mass = 20.3118212073 -1.44101041724 0.500523896394 TCL: atom 1: phi = 0.682269397946 TCL: Center of mass = 20.3132975428 -1.44113854757 0.501030862357 TCL: atom 1: phi = 0.682244626502 TCL: Center of mass = 20.3147321869 -1.44128344433 0.50155032799 TCL: atom 1: phi = 0.682002363557 TCL: Center of mass = 20.316128363 -1.44147443364 0.502068389158 TCL: atom 1: phi = 0.681688013675 TCL: Center of mass = 20.3174777974 -1.44169651132 0.502584823903 TCL: atom 1: phi = 0.681269283404 TCL: Center of mass = 20.3188304363 -1.44195340925 0.503090002057 TCL: atom 1: phi = 0.680874743909 TCL: Center of mass = 20.3201771032 -1.44226120919 0.503607547444 TCL: atom 1: phi = 0.680383119136 TCL: Center of mass = 20.3215589829 -1.44260754145 0.504173101771 TCL: atom 1: phi = 0.679931644396 TCL: Center of mass = 20.322960334 -1.44300298224 0.504780798335 TCL: atom 1: phi = 0.679451574767 TCL: Center of mass = 20.3243953387 -1.44345080568 0.505440179143 TCL: atom 1: phi = 0.67902872056 TCL: Center of mass = 20.3258380335 -1.4439381944 0.506115995999 TCL: atom 1: phi = 0.678643485251 TCL: Center of mass = 20.3272890556 -1.44444600054 0.506803155009 TCL: atom 1: phi = 0.678387524371 TCL: Center of mass = 20.3287310523 -1.44499512179 0.507484471103 TCL: atom 1: phi = 0.678257271926 TCL: Center of mass = 20.3301571085 -1.44556343595 0.508144076198 TCL: atom 1: phi = 0.678317084388 TCL: Center of mass = 20.3315691547 -1.44613166381 0.508752221038 TCL: atom 1: phi = 0.678547999772 TCL: Center of mass = 20.3330148863 -1.44668341162 0.509338315381 TCL: atom 1: phi = 0.678993358002 TCL: Center of mass = 20.3344876088 -1.44723676039 0.509875920604 TCL: atom 1: phi = 0.679530566806 TCL: Center of mass = 20.3360186456 -1.4477851207 0.510374044351 TCL: atom 1: phi = 0.680268826334 TCL: Center of mass = 20.3376007111 -1.44831538796 0.510874599086 TCL: atom 1: phi = 0.681054802933 TCL: Center of mass = 20.3392279347 -1.44881992515 0.511371113289 TCL: atom 1: phi = 0.681911765025 TCL: Center of mass = 20.3408716561 -1.4493054553 0.511887786264 TCL: atom 1: phi = 0.68263741177 TCL: Center of mass = 20.342529734 -1.44978577004 0.512419018822 TCL: atom 1: phi = 0.683322651109 TCL: Center of mass = 20.3441493702 -1.45024600519 0.512948073284 TCL: atom 1: phi = 0.683896236216 TCL: Center of mass = 20.3457228997 -1.45069855816 0.5134520619 TCL: atom 1: phi = 0.684384326739 TCL: Center of mass = 20.3472579552 -1.45114310459 0.513933230273 TCL: atom 1: phi = 0.684744930245 TCL: Center of mass = 20.3487749889 -1.45157697647 0.51439533257 TCL: atom 1: phi = 0.685076670334 TCL: Center of mass = 20.3502779906 -1.45197545975 0.514873597254 TCL: atom 1: phi = 0.685297445039 TCL: Center of mass = 20.3517790391 -1.45234232325 0.515381442958 TCL: atom 1: phi = 0.685469043847 TCL: Center of mass = 20.3532840851 -1.45268238672 0.515925108617 TCL: atom 1: phi = 0.685446031937 TCL: Center of mass = 20.3548151031 -1.45300593657 0.516513223507 TCL: atom 1: phi = 0.6853869788 TCL: Center of mass = 20.3563358738 -1.45332799464 0.517162415282 TCL: atom 1: phi = 0.685186083882 TCL: Center of mass = 20.3578561698 -1.45367525038 0.517856064753 TCL: atom 1: phi = 0.685018399971 TCL: Center of mass = 20.3593607018 -1.45406638632 0.518583100279 TCL: atom 1: phi = 0.684767796645 TCL: Center of mass = 20.3608601534 -1.45449103037 0.519338009414 TCL: atom 1: phi = 0.684582882633 TCL: Center of mass = 20.3623600438 -1.45492901558 0.520101070601 TCL: atom 1: phi = 0.684335030551 TCL: Center of mass = 20.3638884634 -1.4553910482 0.520860428122 TCL: atom 1: phi = 0.684132476343 TCL: Center of mass = 20.3654491062 -1.45583356971 0.521608308732 TCL: atom 1: phi = 0.683914912779 TCL: Center of mass = 20.3670448609 -1.45626870645 0.522368112154 TCL: atom 1: phi = 0.683786628381 TCL: Center of mass = 20.3686835359 -1.45669869153 0.523114225499 TCL: atom 1: phi = 0.683642022792 TCL: Center of mass = 20.3703657875 -1.45712357856 0.523859751593 TCL: atom 1: phi = 0.683556787211 TCL: Center of mass = 20.3720712056 -1.45754539024 0.524596742007 TCL: atom 1: phi = 0.683402640379 TCL: Center of mass = 20.373821314 -1.45799742651 0.525364879016 TCL: atom 1: phi = 0.683263560735 TCL: Center of mass = 20.3756070844 -1.45850893725 0.526108074548 TCL: atom 1: phi = 0.683123966528 TCL: Center of mass = 20.3774133642 -1.45907672759 0.526854306073 TCL: atom 1: phi = 0.683045858781 TCL: Center of mass = 20.3792362755 -1.45965555946 0.527568667587 TCL: atom 1: phi = 0.68299033649 TCL: Center of mass = 20.3810864174 -1.46023416809 0.528251595813 TCL: atom 1: phi = 0.68301468107 TCL: Center of mass = 20.3829542047 -1.4607954201 0.528898390175 TCL: atom 1: phi = 0.683067579648 TCL: Center of mass = 20.3848221521 -1.46134635715 0.529532811097 TCL: atom 1: phi = 0.683193860921 TCL: Center of mass = 20.3866779531 -1.46186971088 0.530144189865 TCL: atom 1: phi = 0.683346899867 TCL: Center of mass = 20.3885142476 -1.46239340795 0.530737171317 TCL: atom 1: phi = 0.683598913205 TCL: Center of mass = 20.3903105018 -1.46292794864 0.531298190654 TCL: atom 1: phi = 0.683913278488 TCL: Center of mass = 20.3920951147 -1.46348074604 0.531843654487 TCL: atom 1: phi = 0.68442231106 TCL: Center of mass = 20.3938365507 -1.46406503583 0.532357309833 TCL: atom 1: phi = 0.685055238194 TCL: Center of mass = 20.395540825 -1.46468897494 0.532851736003 TCL: atom 1: phi = 0.685922318382 TCL: Center of mass = 20.3972204939 -1.46535652886 0.533309788156 TCL: atom 1: phi = 0.686964474071 TCL: Center of mass = 20.3988920995 -1.46604253128 0.533733393073 TCL: atom 1: phi = 0.688241405553 TCL: Center of mass = 20.4005366384 -1.46675426217 0.534126683515 TCL: atom 1: phi = 0.689598200157 WRITING COORDINATES TO DCD FILE AT STEP 14700 WRITING COORDINATES TO RESTART FILE AT STEP 14700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14700 FINISHED WRITING RESTART VELOCITIES TIMING: 14700 CPU: 786.419, 0.0540018/step Wall: 938.881, 0.0639939/step, 0.0942132 hours remaining, 13612 kB of memory in use. ENERGY: 14700 3524.1442 2519.0369 410.5393 37.6194 -44671.2991 4045.6399 0.0000 0.0000 9853.8653 -24280.4540 292.1087 -24136.6874 -24126.8456 293.4426 752.4261 -781.7415 125000.0000 -605.1275 -602.5953 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14700 TCL: Center of mass = 20.4021941424 -1.4674619086 0.534503297439 TCL: atom 1: phi = 0.691150479211 TCL: Center of mass = 20.4038097958 -1.46816141522 0.534871531587 TCL: atom 1: phi = 0.692810868131 TCL: Center of mass = 20.4054021201 -1.46886308431 0.535238592022 TCL: atom 1: phi = 0.694648592957 TCL: Center of mass = 20.4069670512 -1.46958040627 0.535599703089 TCL: atom 1: phi = 0.696400636293 TCL: Center of mass = 20.4085298622 -1.47031758305 0.535963770306 TCL: atom 1: phi = 0.698197382797 TCL: Center of mass = 20.4100731976 -1.47106856881 0.536317276878 TCL: atom 1: phi = 0.699906144884 TCL: Center of mass = 20.4116300334 -1.47184773461 0.536670930708 TCL: atom 1: phi = 0.701614357657 TCL: Center of mass = 20.4131685921 -1.47265179978 0.537011822346 TCL: atom 1: phi = 0.703167486862 TCL: Center of mass = 20.4147471423 -1.47349629666 0.537369686491 TCL: atom 1: phi = 0.704761693645 TCL: Center of mass = 20.4163259704 -1.47433759888 0.53775019208 TCL: atom 1: phi = 0.706233398528 TCL: Center of mass = 20.4179306952 -1.4751638377 0.538166236087 TCL: atom 1: phi = 0.707679736345 TCL: Center of mass = 20.4195424896 -1.47598482057 0.53859921696 TCL: atom 1: phi = 0.708949293992 TCL: Center of mass = 20.4211328763 -1.4767889722 0.539065946122 TCL: atom 1: phi = 0.710167963026 TCL: Center of mass = 20.4227073979 -1.47758762872 0.539548765678 TCL: atom 1: phi = 0.711170711501 TCL: Center of mass = 20.4242396135 -1.47838393692 0.540048093317 TCL: atom 1: phi = 0.712123229235 TCL: Center of mass = 20.4257347825 -1.47919310878 0.540535670051 TCL: atom 1: phi = 0.71290798184 TCL: Center of mass = 20.427227978 -1.48002197878 0.541020611489 TCL: atom 1: phi = 0.713649811349 TCL: Center of mass = 20.4287078159 -1.480857972 0.541484397028 TCL: atom 1: phi = 0.714241498159 TCL: Center of mass = 20.4301916641 -1.48168452781 0.541939465135 TCL: atom 1: phi = 0.714825596237 TCL: Center of mass = 20.4316704746 -1.48249170485 0.54239878418 TCL: atom 1: phi = 0.715273929587 TCL: Center of mass = 20.4331722933 -1.48325632557 0.542867114781 TCL: atom 1: phi = 0.715733792561 TCL: Center of mass = 20.4346715232 -1.48398602428 0.543342227044 TCL: atom 1: phi = 0.716006914267 TCL: Center of mass = 20.4361609459 -1.48469982117 0.543817262997 TCL: atom 1: phi = 0.716260411067 TCL: Center of mass = 20.4376141604 -1.48539446593 0.54427034265 TCL: atom 1: phi = 0.716369011312 TCL: Center of mass = 20.4390308541 -1.48606810252 0.544692366947 TCL: atom 1: phi = 0.716487019994 TCL: Center of mass = 20.4404017599 -1.48674778534 0.545043603947 TCL: atom 1: phi = 0.716481722257 TCL: Center of mass = 20.4417465082 -1.4874188688 0.545340572557 TCL: atom 1: phi = 0.716602824486 TCL: Center of mass = 20.4430928144 -1.48807888841 0.54559323135 TCL: atom 1: phi = 0.716681207112 TCL: Center of mass = 20.4444676069 -1.48873308457 0.545811209842 TCL: atom 1: phi = 0.716873494687 TCL: Center of mass = 20.4458927341 -1.48935773174 0.546013759514 TCL: atom 1: phi = 0.716937390514 TCL: Center of mass = 20.4473584 -1.48996662098 0.546237923234 TCL: atom 1: phi = 0.717069776457 TCL: Center of mass = 20.448852536 -1.49053264221 0.546480906466 TCL: atom 1: phi = 0.717040567189 TCL: Center of mass = 20.4503720696 -1.49110639795 0.546755088084 TCL: atom 1: phi = 0.717056750766 TCL: Center of mass = 20.4518800559 -1.49167108819 0.547081601211 TCL: atom 1: phi = 0.716929887522 TCL: Center of mass = 20.4533836779 -1.49226210961 0.547426954663 TCL: atom 1: phi = 0.716884830463 TCL: Center of mass = 20.4548941723 -1.49287154971 0.547759943606 TCL: atom 1: phi = 0.716683062793 TCL: Center of mass = 20.4564043671 -1.4935065186 0.548093023166 TCL: atom 1: phi = 0.71661222989 TCL: Center of mass = 20.4579242225 -1.49413437872 0.548412267206 TCL: atom 1: phi = 0.716366398037 TCL: Center of mass = 20.4594821173 -1.49476605119 0.548738651469 TCL: atom 1: phi = 0.716299453934 TCL: Center of mass = 20.4610580065 -1.49538677437 0.549093634881 TCL: atom 1: phi = 0.716083885456 TCL: Center of mass = 20.4626829578 -1.4960116366 0.549506608782 TCL: atom 1: phi = 0.716005655011 TCL: Center of mass = 20.4643532322 -1.49663345703 0.54999651862 TCL: atom 1: phi = 0.715696615531 TCL: Center of mass = 20.4660547307 -1.49725362645 0.550552622791 TCL: atom 1: phi = 0.715549376248 TCL: Center of mass = 20.4677697049 -1.49788040577 0.551171139049 TCL: atom 1: phi = 0.71523115524 TCL: Center of mass = 20.4694582567 -1.49850608159 0.551831812994 TCL: atom 1: phi = 0.715038379312 TCL: Center of mass = 20.4711067054 -1.49913965808 0.552491408914 TCL: atom 1: phi = 0.714686949201 TCL: Center of mass = 20.4727124432 -1.499750774 0.553130584421 TCL: atom 1: phi = 0.71460207015 TCL: Center of mass = 20.4742724205 -1.50032244526 0.553740678013 TCL: atom 1: phi = 0.714440044402 TCL: Center of mass = 20.4758151152 -1.5008729375 0.554326332039 TCL: atom 1: phi = 0.714597397542 TCL: Center of mass = 20.4773322847 -1.50139624445 0.554896990384 TCL: atom 1: phi = 0.714678455312 TCL: Center of mass = 20.4788688814 -1.50190917063 0.555446908419 TCL: atom 1: phi = 0.714950441245 TCL: Center of mass = 20.480401588 -1.50240417246 0.556021810015 TCL: atom 1: phi = 0.715013381268 TCL: Center of mass = 20.4819369887 -1.50290576789 0.556612451109 TCL: atom 1: phi = 0.715140644225 TCL: Center of mass = 20.4834379149 -1.50341583711 0.557207755421 TCL: atom 1: phi = 0.714932091875 TCL: Center of mass = 20.4849280936 -1.50394814573 0.557794878967 TCL: atom 1: phi = 0.714812257061 TCL: Center of mass = 20.4863934223 -1.50448377085 0.558362294101 TCL: atom 1: phi = 0.714469469954 TCL: Center of mass = 20.4878555811 -1.50501382224 0.558882316943 TCL: atom 1: phi = 0.714318480079 TCL: Center of mass = 20.489297924 -1.50550706546 0.55934307514 TCL: atom 1: phi = 0.714018803767 TCL: Center of mass = 20.4907696984 -1.50597968477 0.559762060308 TCL: atom 1: phi = 0.713926266435 TCL: Center of mass = 20.4922633249 -1.50641376115 0.560153155176 TCL: atom 1: phi = 0.713670564786 TCL: Center of mass = 20.4938031055 -1.50683467229 0.560522323898 TCL: atom 1: phi = 0.713584950636 TCL: Center of mass = 20.4953686551 -1.50722350463 0.560900538066 TCL: atom 1: phi = 0.713287054038 TCL: Center of mass = 20.4969658583 -1.50759682249 0.561290525997 TCL: atom 1: phi = 0.713113317486 TCL: Center of mass = 20.4986001629 -1.50796474831 0.561715616263 TCL: atom 1: phi = 0.712614084603 TCL: Center of mass = 20.5002676242 -1.50832363983 0.562174071397 TCL: atom 1: phi = 0.71217376106 TCL: Center of mass = 20.5019609424 -1.508676601 0.562653506229 TCL: atom 1: phi = 0.711399012003 TCL: Center of mass = 20.5036873553 -1.50899288661 0.563161884069 TCL: atom 1: phi = 0.71070923677 TCL: Center of mass = 20.5054302801 -1.50925893545 0.563676871772 TCL: atom 1: phi = 0.709749030258 TCL: Center of mass = 20.5072058228 -1.50950270589 0.564192498234 TCL: atom 1: phi = 0.708937242254 TCL: Center of mass = 20.5089961985 -1.50967744184 0.564707432942 TCL: atom 1: phi = 0.707874490901 TCL: Center of mass = 20.5108124608 -1.50982963076 0.565248382676 TCL: atom 1: phi = 0.706983122709 TCL: Center of mass = 20.5125982231 -1.50996439364 0.565814040278 TCL: atom 1: phi = 0.705926155595 TCL: Center of mass = 20.5143732421 -1.51012987751 0.566407529381 TCL: atom 1: phi = 0.705037709142 TCL: Center of mass = 20.516114128 -1.51029925981 0.567006213542 TCL: atom 1: phi = 0.703942771041 TCL: Center of mass = 20.5178468353 -1.51052298253 0.567614468549 TCL: atom 1: phi = 0.703054498821 TCL: Center of mass = 20.5195490788 -1.51075987016 0.568203532035 TCL: atom 1: phi = 0.701961419645 TCL: Center of mass = 20.5212559915 -1.51101897519 0.56878910908 TCL: atom 1: phi = 0.70113041602 TCL: Center of mass = 20.5229649073 -1.51126712055 0.56934500039 TCL: atom 1: phi = 0.70020690311 TCL: Center of mass = 20.5246861843 -1.51149314399 0.569902991895 TCL: atom 1: phi = 0.699639996202 TCL: Center of mass = 20.526405981 -1.51171517459 0.570431020318 TCL: atom 1: phi = 0.699047832505 TCL: Center of mass = 20.5281389577 -1.51191398158 0.570950404254 TCL: atom 1: phi = 0.698773790243 TCL: Center of mass = 20.5298483893 -1.51207254753 0.5714406728 TCL: atom 1: phi = 0.698472008181 TCL: Center of mass = 20.5315517498 -1.51221137904 0.571929821125 TCL: atom 1: phi = 0.698391084832 TCL: Center of mass = 20.5332576242 -1.51236775938 0.572396734156 TCL: atom 1: phi = 0.698155024702 TCL: Center of mass = 20.5349551928 -1.51252781938 0.572870722275 TCL: atom 1: phi = 0.698108760936 TCL: Center of mass = 20.5366593929 -1.51270134802 0.573369138683 TCL: atom 1: phi = 0.697926400138 TCL: Center of mass = 20.5384067601 -1.51286452723 0.57390435606 TCL: atom 1: phi = 0.697928137888 TCL: Center of mass = 20.5401907322 -1.51302397445 0.574466040002 TCL: atom 1: phi = 0.697864065397 TCL: Center of mass = 20.5420290174 -1.51315370338 0.575066403213 TCL: atom 1: phi = 0.698082208229 TCL: Center of mass = 20.5438818676 -1.51323237445 0.575673446672 TCL: atom 1: phi = 0.698272970919 TCL: Center of mass = 20.5457438127 -1.51327474574 0.576309520311 TCL: atom 1: phi = 0.698664795968 TCL: Center of mass = 20.547600727 -1.51327830423 0.576966654468 TCL: atom 1: phi = 0.698910581991 TCL: Center of mass = 20.5494321608 -1.51326247073 0.577616115695 TCL: atom 1: phi = 0.699295867877 TCL: Center of mass = 20.551204527 -1.51324617843 0.578265851099 TCL: atom 1: phi = 0.699390948508 TCL: Center of mass = 20.5529650342 -1.51326390261 0.578929531196 TCL: atom 1: phi = 0.699490968805 TCL: Center of mass = 20.5546833931 -1.51331216587 0.579573685361 TCL: atom 1: phi = 0.699241698696 TCL: Center of mass = 20.5564211798 -1.51340197436 0.580197834516 TCL: atom 1: phi = 0.699004764228 TCL: Center of mass = 20.5581434173 -1.5135143964 0.580804904535 TCL: atom 1: phi = 0.698571897394 TCL: Center of mass = 20.5598827031 -1.51364358768 0.581413096851 TCL: atom 1: phi = 0.698214995997 TCL: Center of mass = 20.5616392295 -1.51379670572 0.582028473228 TCL: atom 1: phi = 0.697743274264 WRITING COORDINATES TO DCD FILE AT STEP 14800 WRITING COORDINATES TO RESTART FILE AT STEP 14800 FINISHED WRITING RESTART COORDINATES TIMING: 14800 CPU: 791.831, 0.0541118/step Wall: 945.267, 0.0638611/step, 0.0922439 hours remaining, 13612 kB of memory in use. ENERGY: 14800 3521.7883 2573.2190 393.8977 39.8987 -44754.8311 4052.3606 0.0000 0.0000 9887.4293 -24286.2376 293.1036 -24143.4985 -24128.7379 293.7500 402.9612 -894.7414 125000.0000 -561.3412 -560.2925 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14800 WRITING VELOCITIES TO RESTART FILE AT STEP 14800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 20.5633958303 -1.51394802776 0.582652951706 TCL: atom 1: phi = 0.697463770329 TCL: Center of mass = 20.5651270219 -1.5141242097 0.583260118764 TCL: atom 1: phi = 0.69715243843 TCL: Center of mass = 20.5668148496 -1.51430733113 0.58384874009 TCL: atom 1: phi = 0.697016854791 TCL: Center of mass = 20.5684399903 -1.51451541386 0.584407151331 TCL: atom 1: phi = 0.696760273544 TCL: Center of mass = 20.5700380994 -1.51473684477 0.584920614989 TCL: atom 1: phi = 0.696668359019 TCL: Center of mass = 20.5715859358 -1.51494909377 0.58541574444 TCL: atom 1: phi = 0.696484464202 TCL: Center of mass = 20.5731319936 -1.51516592239 0.585897614092 TCL: atom 1: phi = 0.696508223346 TCL: Center of mass = 20.5746812504 -1.51534063897 0.586366346968 TCL: atom 1: phi = 0.696538643379 TCL: Center of mass = 20.5762757605 -1.51548216262 0.58686074599 TCL: atom 1: phi = 0.696832569114 TCL: Center of mass = 20.5778938266 -1.51559326666 0.587381889689 TCL: atom 1: phi = 0.697119903753 TCL: Center of mass = 20.5795524586 -1.51567880254 0.587962712203 TCL: atom 1: phi = 0.697613888447 TCL: Center of mass = 20.5812202126 -1.51574007283 0.588582547697 TCL: atom 1: phi = 0.698057806723 TCL: Center of mass = 20.5828663268 -1.51577994737 0.589224421356 TCL: atom 1: phi = 0.698610002823 TCL: Center of mass = 20.58447686 -1.51582700378 0.589876201395 TCL: atom 1: phi = 0.698966596673 TCL: Center of mass = 20.5860668565 -1.51586557085 0.590536077896 TCL: atom 1: phi = 0.699426631683 TCL: Center of mass = 20.5876421723 -1.51589804897 0.591178548628 TCL: atom 1: phi = 0.699744213944 TCL: Center of mass = 20.5892348188 -1.51592040034 0.591807015782 TCL: atom 1: phi = 0.700227931493 TCL: Center of mass = 20.5908253945 -1.51591654922 0.592416163414 TCL: atom 1: phi = 0.700603223424 TCL: Center of mass = 20.5924562427 -1.51590774639 0.593040738926 TCL: atom 1: phi = 0.701198563507 TCL: Center of mass = 20.5941068976 -1.51590215841 0.593658829754 TCL: atom 1: phi = 0.70175219841 TCL: Center of mass = 20.5958003018 -1.51590801967 0.594296190016 TCL: atom 1: phi = 0.70257053495 TCL: Center of mass = 20.5974875744 -1.51592843753 0.594924013342 TCL: atom 1: phi = 0.70340654794 TCL: Center of mass = 20.5991832206 -1.51598968446 0.595532583902 TCL: atom 1: phi = 0.704514596677 TCL: Center of mass = 20.600845765 -1.51605573965 0.596118665255 TCL: atom 1: phi = 0.70564389851 TCL: Center of mass = 20.6024958603 -1.51614823847 0.596676838225 TCL: atom 1: phi = 0.706932138657 TCL: Center of mass = 20.6040955463 -1.51623809568 0.597203079451 TCL: atom 1: phi = 0.708104943902 TCL: Center of mass = 20.605669372 -1.51629648042 0.597720210478 TCL: atom 1: phi = 0.709401949702 TCL: Center of mass = 20.6072047836 -1.51631445174 0.59820695027 TCL: atom 1: phi = 0.710499638939 TCL: Center of mass = 20.6087266997 -1.51628485698 0.598705638789 TCL: atom 1: phi = 0.711615033097 TCL: Center of mass = 20.6102458398 -1.51618752387 0.599209068602 TCL: atom 1: phi = 0.712443205933 TCL: Center of mass = 20.6117824305 -1.51608158679 0.599731343635 TCL: atom 1: phi = 0.713292142604 TCL: Center of mass = 20.6133129765 -1.51597135991 0.600281447162 TCL: atom 1: phi = 0.713922316145 TCL: Center of mass = 20.6148455877 -1.51586462607 0.600875818578 TCL: atom 1: phi = 0.714556043299 TCL: Center of mass = 20.6163402663 -1.51577016615 0.601493796314 TCL: atom 1: phi = 0.714913421394 TCL: Center of mass = 20.6178221822 -1.5156846589 0.602141223917 TCL: atom 1: phi = 0.715263422958 TCL: Center of mass = 20.6192807086 -1.51559437428 0.602790296081 TCL: atom 1: phi = 0.715329352046 TCL: Center of mass = 20.6207299122 -1.51548648795 0.603453851776 TCL: atom 1: phi = 0.71530879568 TCL: Center of mass = 20.622140277 -1.51535375406 0.604089692296 TCL: atom 1: phi = 0.715059301571 TCL: Center of mass = 20.6235565466 -1.51522122847 0.604741554321 TCL: atom 1: phi = 0.714749855432 TCL: Center of mass = 20.624951661 -1.51508562044 0.605384068983 TCL: atom 1: phi = 0.714234117576 TCL: Center of mass = 20.6263554723 -1.51498533614 0.606018539228 TCL: atom 1: phi = 0.71371874289 TCL: Center of mass = 20.6277453381 -1.51494091379 0.606627651937 TCL: atom 1: phi = 0.713094267158 TCL: Center of mass = 20.6291572711 -1.51495347309 0.607217440884 TCL: atom 1: phi = 0.712471653612 TCL: Center of mass = 20.6305833604 -1.51503945392 0.607788162684 TCL: atom 1: phi = 0.711815789468 TCL: Center of mass = 20.6320251762 -1.51519397986 0.60834717516 TCL: atom 1: phi = 0.711329629661 TCL: Center of mass = 20.6334709158 -1.51539041183 0.608874559981 TCL: atom 1: phi = 0.710847873911 TCL: Center of mass = 20.6349069736 -1.51561800065 0.60938473477 TCL: atom 1: phi = 0.710501416095 TCL: Center of mass = 20.6363546567 -1.51583668913 0.609864423178 TCL: atom 1: phi = 0.710243049264 TCL: Center of mass = 20.6378051557 -1.51602802447 0.610306866826 TCL: atom 1: phi = 0.710184458969 TCL: Center of mass = 20.6392555409 -1.51618052354 0.610733307317 TCL: atom 1: phi = 0.710192765428 TCL: Center of mass = 20.640703405 -1.51631631026 0.61115109346 TCL: atom 1: phi = 0.710422289149 TCL: Center of mass = 20.6421269905 -1.51644536583 0.611549219427 TCL: atom 1: phi = 0.710682393356 TCL: Center of mass = 20.6435099515 -1.51660900626 0.611954393862 TCL: atom 1: phi = 0.711077710486 TCL: Center of mass = 20.644875193 -1.51676264331 0.612374130786 TCL: atom 1: phi = 0.711511233234 TCL: Center of mass = 20.6462456322 -1.51690962555 0.61282153327 TCL: atom 1: phi = 0.712105883339 TCL: Center of mass = 20.6476374804 -1.51701727133 0.61326201333 TCL: atom 1: phi = 0.712613812883 TCL: Center of mass = 20.6490676324 -1.51707032339 0.613723849872 TCL: atom 1: phi = 0.71314720889 TCL: Center of mass = 20.6505308477 -1.51702887504 0.61420206401 TCL: atom 1: phi = 0.713585781632 TCL: Center of mass = 20.6520428012 -1.51693057117 0.614693439426 TCL: atom 1: phi = 0.714026101758 TCL: Center of mass = 20.6535557864 -1.51675293428 0.615174875052 TCL: atom 1: phi = 0.714263406263 TCL: Center of mass = 20.6550726125 -1.51653336431 0.615637884105 TCL: atom 1: phi = 0.714460223074 TCL: Center of mass = 20.6566013857 -1.51628993603 0.61604057205 TCL: atom 1: phi = 0.714578141276 TCL: Center of mass = 20.6581305136 -1.51605032814 0.616420868798 TCL: atom 1: phi = 0.714788213529 TCL: Center of mass = 20.6596531838 -1.51579398337 0.616771348091 TCL: atom 1: phi = 0.71496949032 TCL: Center of mass = 20.6611874695 -1.51554658328 0.617112821217 TCL: atom 1: phi = 0.715324816018 TCL: Center of mass = 20.6627609554 -1.51528578809 0.617427443853 TCL: atom 1: phi = 0.715690252198 TCL: Center of mass = 20.664396746 -1.51503057728 0.617756181266 TCL: atom 1: phi = 0.71613706498 TCL: Center of mass = 20.6660978188 -1.51475290965 0.618093694705 TCL: atom 1: phi = 0.716610984529 TCL: Center of mass = 20.6678640321 -1.51449241469 0.618455385146 TCL: atom 1: phi = 0.717172189217 TCL: Center of mass = 20.6696547202 -1.51423017644 0.618859171992 TCL: atom 1: phi = 0.717706890366 TCL: Center of mass = 20.6714582481 -1.51400423049 0.619261246101 TCL: atom 1: phi = 0.718294671991 TCL: Center of mass = 20.6732573452 -1.51380876063 0.619648074301 TCL: atom 1: phi = 0.718800557135 TCL: Center of mass = 20.6750497443 -1.51368829989 0.620023210737 TCL: atom 1: phi = 0.71943804278 TCL: Center of mass = 20.6768180711 -1.51359262366 0.620415736274 TCL: atom 1: phi = 0.720116395428 TCL: Center of mass = 20.6785867339 -1.51354570132 0.620826363308 TCL: atom 1: phi = 0.721001466712 TCL: Center of mass = 20.6803628928 -1.51350777402 0.621258682103 TCL: atom 1: phi = 0.721927124061 TCL: Center of mass = 20.6821694754 -1.51348691148 0.621735345614 TCL: atom 1: phi = 0.723074684994 TCL: Center of mass = 20.6840117356 -1.51343954539 0.622259224603 TCL: atom 1: phi = 0.724210556671 TCL: Center of mass = 20.6858934386 -1.51339485536 0.622827207986 TCL: atom 1: phi = 0.725401611613 TCL: Center of mass = 20.6877699482 -1.51332053995 0.623423485973 TCL: atom 1: phi = 0.726466547742 TCL: Center of mass = 20.6896598991 -1.51324789857 0.624044979414 TCL: atom 1: phi = 0.727518309161 TCL: Center of mass = 20.6915542137 -1.5131675751 0.624647569988 TCL: atom 1: phi = 0.728326781232 TCL: Center of mass = 20.6934437597 -1.51309994216 0.62520821089 TCL: atom 1: phi = 0.729173764611 TCL: Center of mass = 20.6953110099 -1.51300853975 0.625738522824 TCL: atom 1: phi = 0.729854783749 TCL: Center of mass = 20.6971664833 -1.51293147587 0.6262541902 TCL: atom 1: phi = 0.730687253129 TCL: Center of mass = 20.6990225535 -1.5128004339 0.626762910217 TCL: atom 1: phi = 0.731355506404 TCL: Center of mass = 20.7008664344 -1.51263944672 0.627260083097 TCL: atom 1: phi = 0.732099210292 TCL: Center of mass = 20.7027067892 -1.51243553237 0.627749491102 TCL: atom 1: phi = 0.732602676123 TCL: Center of mass = 20.7045377911 -1.51221156129 0.628259389359 TCL: atom 1: phi = 0.733105752892 TCL: Center of mass = 20.7063650432 -1.51194569351 0.628779936719 TCL: atom 1: phi = 0.733261670135 TCL: Center of mass = 20.708189175 -1.51166479836 0.629314524006 TCL: atom 1: phi = 0.733392755594 TCL: Center of mass = 20.7099969056 -1.51136631891 0.629829099185 TCL: atom 1: phi = 0.73319737269 TCL: Center of mass = 20.7118064581 -1.51107353701 0.630342532394 TCL: atom 1: phi = 0.73302867668 TCL: Center of mass = 20.7135857394 -1.51077346159 0.630858362277 TCL: atom 1: phi = 0.732588738214 TCL: Center of mass = 20.7153496569 -1.51048490216 0.631366784966 TCL: atom 1: phi = 0.732274286092 TCL: Center of mass = 20.7170884722 -1.51019551805 0.631866898129 TCL: atom 1: phi = 0.731741798052 TCL: Center of mass = 20.7188275894 -1.50988205978 0.632375488528 TCL: atom 1: phi = 0.731335769774 TCL: Center of mass = 20.7205379767 -1.50952227962 0.632922958971 TCL: atom 1: phi = 0.730764174838 TCL: Center of mass = 20.7222564232 -1.50915797354 0.633509730554 TCL: atom 1: phi = 0.730315531931 TCL: Center of mass = 20.7239418607 -1.50877104798 0.634131654594 TCL: atom 1: phi = 0.729722678315 WRITING COORDINATES TO DCD FILE AT STEP 14900 WRITING COORDINATES TO RESTART FILE AT STEP 14900 FINISHED WRITING RESTART COORDINATES TIMING: 14900 CPU: 797.23, 0.0539918/step Wall: 951.697, 0.0643053/step, 0.0910992 hours remaining, 13612 kB of memory in use. ENERGY: 14900 3539.9131 2508.7418 409.3233 35.9929 -44814.6796 4182.3092 0.0000 0.0000 9818.8808 -24319.5186 291.0716 -24175.5357 -24165.1952 293.3343 906.8069 -426.1843 125000.0000 -687.2726 -689.2152 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14900 WRITING VELOCITIES TO RESTART FILE AT STEP 14900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 20.7256352101 -1.50839570393 0.634806629122 TCL: atom 1: phi = 0.72919910652 TCL: Center of mass = 20.7273332319 -1.50801305038 0.635528550848 TCL: atom 1: phi = 0.728513075144 TCL: Center of mass = 20.7290462968 -1.50761882716 0.636271119436 TCL: atom 1: phi = 0.727905815555 TCL: Center of mass = 20.7307847307 -1.50720214266 0.637004474722 TCL: atom 1: phi = 0.727226135643 TCL: Center of mass = 20.7325592503 -1.50678574334 0.637760759169 TCL: atom 1: phi = 0.726714416326 TCL: Center of mass = 20.7343763842 -1.50632527552 0.638523393515 TCL: atom 1: phi = 0.726269103179 TCL: Center of mass = 20.7362301101 -1.50584699366 0.639291121794 TCL: atom 1: phi = 0.726088644956 TCL: Center of mass = 20.7380628022 -1.50530099674 0.640047780577 TCL: atom 1: phi = 0.725894150762 TCL: Center of mass = 20.7399085454 -1.50474519931 0.640818858481 TCL: atom 1: phi = 0.725895468479 TCL: Center of mass = 20.7417505276 -1.50415504939 0.641588442197 TCL: atom 1: phi = 0.725763440092 TCL: Center of mass = 20.7435834351 -1.50358930689 0.642373308914 TCL: atom 1: phi = 0.725750364416 TCL: Center of mass = 20.7454045128 -1.50301051968 0.643144391368 TCL: atom 1: phi = 0.725591726775 TCL: Center of mass = 20.7472255573 -1.50245778798 0.643902086891 TCL: atom 1: phi = 0.725574713743 TCL: Center of mass = 20.7490416564 -1.50189115911 0.644633303024 TCL: atom 1: phi = 0.725453381615 TCL: Center of mass = 20.7508599115 -1.50133604542 0.645330797364 TCL: atom 1: phi = 0.725530039411 TCL: Center of mass = 20.752674309 -1.50073693847 0.646000404911 TCL: atom 1: phi = 0.725512119219 TCL: Center of mass = 20.754475496 -1.50013970386 0.646649291678 TCL: atom 1: phi = 0.725724293701 TCL: Center of mass = 20.7562590106 -1.49950848887 0.647268555301 TCL: atom 1: phi = 0.72590992055 TCL: Center of mass = 20.7579905361 -1.49887862075 0.647878068595 TCL: atom 1: phi = 0.726205572582 TCL: Center of mass = 20.7596774061 -1.49825784322 0.648477979033 TCL: atom 1: phi = 0.726267637369 TCL: Center of mass = 20.7612987956 -1.49768287835 0.649100181273 TCL: atom 1: phi = 0.726422162887 TCL: Center of mass = 20.7628789008 -1.4971514988 0.649748215497 TCL: atom 1: phi = 0.726324529257 TCL: Center of mass = 20.764425333 -1.49666140619 0.650427267652 TCL: atom 1: phi = 0.726283886488 TCL: Center of mass = 20.7659403832 -1.49619903015 0.651125456264 TCL: atom 1: phi = 0.725984720845 TCL: Center of mass = 20.7674592015 -1.49576154306 0.651841311521 TCL: atom 1: phi = 0.725829368127 TCL: Center of mass = 20.7689978914 -1.49531736695 0.652545480093 TCL: atom 1: phi = 0.725485759394 TCL: Center of mass = 20.7705504722 -1.49484740736 0.653244604221 TCL: atom 1: phi = 0.725337803295 TCL: Center of mass = 20.77211471 -1.49432609944 0.65395363354 TCL: atom 1: phi = 0.724947468146 TCL: Center of mass = 20.7736776451 -1.493777489 0.654687634168 TCL: atom 1: phi = 0.724626411448 TCL: Center of mass = 20.7752361532 -1.49318291211 0.655418581561 TCL: atom 1: phi = 0.723914414655 TCL: Center of mass = 20.7767983579 -1.49260488698 0.65613789055 TCL: atom 1: phi = 0.723148506167 TCL: Center of mass = 20.7783420159 -1.49204838609 0.656832417225 TCL: atom 1: phi = 0.721921733779 TCL: Center of mass = 20.7798895106 -1.49151079026 0.657547966952 TCL: atom 1: phi = 0.720609849776 TCL: Center of mass = 20.7814575136 -1.4909666083 0.658273079618 TCL: atom 1: phi = 0.718949542829 TCL: Center of mass = 20.783066 -1.49044559556 0.65900328964 TCL: atom 1: phi = 0.717426933452 TCL: Center of mass = 20.7847230276 -1.48990484692 0.659714597484 TCL: atom 1: phi = 0.715756931429 TCL: Center of mass = 20.7864319095 -1.48932868529 0.660435438415 TCL: atom 1: phi = 0.714404052843 TCL: Center of mass = 20.7881652835 -1.48871868499 0.661140279178 TCL: atom 1: phi = 0.713031766903 TCL: Center of mass = 20.7898997348 -1.48809887574 0.66182533651 TCL: atom 1: phi = 0.711933828037 TCL: Center of mass = 20.7916224224 -1.48747241826 0.662474238719 TCL: atom 1: phi = 0.71077675084 TCL: Center of mass = 20.7933246643 -1.48685915276 0.663076792107 TCL: atom 1: phi = 0.709841691005 TCL: Center of mass = 20.7950015699 -1.48627762804 0.663645899555 TCL: atom 1: phi = 0.708889666763 TCL: Center of mass = 20.7966667977 -1.4857547222 0.664217832439 TCL: atom 1: phi = 0.708238161447 TCL: Center of mass = 20.7983335638 -1.48527575876 0.664776380248 TCL: atom 1: phi = 0.70773223442 TCL: Center of mass = 20.800010625 -1.4848385094 0.665329865797 TCL: atom 1: phi = 0.707634583178 TCL: Center of mass = 20.8016866746 -1.48441809875 0.665885234365 TCL: atom 1: phi = 0.707802052638 TCL: Center of mass = 20.8033698408 -1.48400721527 0.666460789728 TCL: atom 1: phi = 0.708442880559 TCL: Center of mass = 20.8050575344 -1.48358554501 0.667057433003 TCL: atom 1: phi = 0.709263677054 TCL: Center of mass = 20.8067620058 -1.4831886021 0.667655855322 TCL: atom 1: phi = 0.710370434397 TCL: Center of mass = 20.8084591785 -1.48278858964 0.668248338075 TCL: atom 1: phi = 0.711495432699 TCL: Center of mass = 20.8101408777 -1.48240891463 0.66882245035 TCL: atom 1: phi = 0.712727082368 TCL: Center of mass = 20.8118139532 -1.48203509464 0.669361396664 TCL: atom 1: phi = 0.713781226935 TCL: Center of mass = 20.8135065148 -1.48167320196 0.669878096643 TCL: atom 1: phi = 0.714849696925 TCL: Center of mass = 20.81521646 -1.48131727845 0.67035276101 TCL: atom 1: phi = 0.715771178229 TCL: Center of mass = 20.8169674023 -1.4809780675 0.670819188153 TCL: atom 1: phi = 0.716751430543 TCL: Center of mass = 20.8187656823 -1.480612966 0.671310624079 TCL: atom 1: phi = 0.717574108998 TCL: Center of mass = 20.8206029732 -1.48024346759 0.6718154599 TCL: atom 1: phi = 0.718502208879 TCL: Center of mass = 20.8224720055 -1.47984835196 0.672329343261 TCL: atom 1: phi = 0.719254266603 TCL: Center of mass = 20.8243423778 -1.47944062069 0.672852793466 TCL: atom 1: phi = 0.719988877234 TCL: Center of mass = 20.8262179712 -1.47901170275 0.673373486861 TCL: atom 1: phi = 0.720476334076 TCL: Center of mass = 20.828097176 -1.47858595308 0.673851014225 TCL: atom 1: phi = 0.720775624021 TCL: Center of mass = 20.8299471394 -1.47814575748 0.674313695624 TCL: atom 1: phi = 0.720675058432 TCL: Center of mass = 20.8317861462 -1.47773244708 0.674718485352 TCL: atom 1: phi = 0.720398480408 TCL: Center of mass = 20.8336087439 -1.47731915566 0.675086739122 TCL: atom 1: phi = 0.719796517286 TCL: Center of mass = 20.8354019832 -1.47691200332 0.675457650722 TCL: atom 1: phi = 0.719179742136 TCL: Center of mass = 20.8371843553 -1.47649713665 0.67584130111 TCL: atom 1: phi = 0.718417394316 TCL: Center of mass = 20.8389605949 -1.47609774382 0.67623278948 TCL: atom 1: phi = 0.717874463062 TCL: Center of mass = 20.8407320121 -1.47572413909 0.676638008834 TCL: atom 1: phi = 0.717334224641 TCL: Center of mass = 20.8424855387 -1.47538533922 0.677076851749 TCL: atom 1: phi = 0.71702591543 TCL: Center of mass = 20.8442238897 -1.47507201182 0.677521866285 TCL: atom 1: phi = 0.71677077912 TCL: Center of mass = 20.8459692578 -1.47478529989 0.677960778821 TCL: atom 1: phi = 0.716610364306 TCL: Center of mass = 20.8477109745 -1.47452841694 0.678370673911 TCL: atom 1: phi = 0.716302598211 TCL: Center of mass = 20.8494620788 -1.47428857989 0.678737058474 TCL: atom 1: phi = 0.716081186718 TCL: Center of mass = 20.851235705 -1.47408191341 0.679034292542 TCL: atom 1: phi = 0.715698746446 TCL: Center of mass = 20.8530423665 -1.47386311234 0.679289248306 TCL: atom 1: phi = 0.715442431295 TCL: Center of mass = 20.8548709892 -1.47363094179 0.679535611249 TCL: atom 1: phi = 0.715256521626 TCL: Center of mass = 20.8567448682 -1.47339731887 0.679776883234 TCL: atom 1: phi = 0.715334253751 TCL: Center of mass = 20.8586443873 -1.47317898496 0.680039214602 TCL: atom 1: phi = 0.715576931149 TCL: Center of mass = 20.8605872221 -1.47296573254 0.680302708462 TCL: atom 1: phi = 0.716167020449 TCL: Center of mass = 20.8625290206 -1.47274288631 0.680566240449 TCL: atom 1: phi = 0.716830783246 TCL: Center of mass = 20.864482465 -1.47252246275 0.680835067113 TCL: atom 1: phi = 0.717666229858 TCL: Center of mass = 20.8664411588 -1.47229797783 0.681086022147 TCL: atom 1: phi = 0.71835846637 TCL: Center of mass = 20.8684332199 -1.47206513694 0.681311804911 TCL: atom 1: phi = 0.719066469565 TCL: Center of mass = 20.8704273728 -1.47179174187 0.681518776531 TCL: atom 1: phi = 0.719688652747 TCL: Center of mass = 20.8724604316 -1.47149342647 0.681716230928 TCL: atom 1: phi = 0.72042080294 TCL: Center of mass = 20.8744831378 -1.47114984619 0.681904217462 TCL: atom 1: phi = 0.721208767841 TCL: Center of mass = 20.8765119092 -1.47079522004 0.682101768463 TCL: atom 1: phi = 0.722246629785 TCL: Center of mass = 20.8785064993 -1.47041792597 0.682301368764 TCL: atom 1: phi = 0.723385646477 TCL: Center of mass = 20.8804935131 -1.47006002078 0.682515991526 TCL: atom 1: phi = 0.72480011601 TCL: Center of mass = 20.8824312017 -1.4696906016 0.682735259368 TCL: atom 1: phi = 0.726259473152 TCL: Center of mass = 20.8843452332 -1.46935120938 0.682954004834 TCL: atom 1: phi = 0.727824594948 TCL: Center of mass = 20.8862033064 -1.46902414565 0.683174136298 TCL: atom 1: phi = 0.729203528016 TCL: Center of mass = 20.8880501511 -1.46871938302 0.683375770855 TCL: atom 1: phi = 0.730459158195 TCL: Center of mass = 20.8898786127 -1.46843089074 0.683573613541 TCL: atom 1: phi = 0.731393674663 TCL: Center of mass = 20.8917114923 -1.46815921167 0.683757753168 TCL: atom 1: phi = 0.732298544406 TCL: Center of mass = 20.8935197601 -1.46788953879 0.683909833126 TCL: atom 1: phi = 0.732887428615 TCL: Center of mass = 20.8953317366 -1.4676131448 0.684067660035 TCL: atom 1: phi = 0.733565057648 TCL: Center of mass = 20.8971060769 -1.46734022763 0.684252247581 TCL: atom 1: phi = 0.734130871728 TCL: Center of mass = 20.8988607804 -1.46710207306 0.684421417783 TCL: atom 1: phi = 0.734869580338 TCL: Center of mass = 20.9005611756 -1.46687998685 0.684599847184 TCL: atom 1: phi = 0.735466190159 WRITING COORDINATES TO DCD FILE AT STEP 15000 WRITING COORDINATES TO RESTART FILE AT STEP 15000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15000 FINISHED WRITING RESTART VELOCITIES TIMING: 15000 CPU: 802.631, 0.0540118/step Wall: 958.121, 0.0642369/step, 0.0892179 hours remaining, 13612 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 15000 3539.3921 2463.7605 397.6630 29.1045 -44917.1616 4187.8572 0.0000 0.0000 9946.5687 -24352.8156 294.8568 -24210.6722 -24193.0790 293.4357 900.4208 -450.8896 125000.0000 -647.3578 -647.0089 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15000 TCL: Center of mass = 20.9022691331 -1.46670805123 0.684787821589 TCL: atom 1: phi = 0.73618008295 TCL: Center of mass = 20.9039335394 -1.46655226203 0.684989661182 TCL: atom 1: phi = 0.736570581334 TCL: Center of mass = 20.9056005119 -1.46643314328 0.685202265464 TCL: atom 1: phi = 0.736855730242 TCL: Center of mass = 20.9072341411 -1.46629508665 0.68544029072 TCL: atom 1: phi = 0.736682486749 TCL: Center of mass = 20.9088889556 -1.4661386995 0.685704165195 TCL: atom 1: phi = 0.73646711228 TCL: Center of mass = 20.9105043374 -1.46594105497 0.685985092089 TCL: atom 1: phi = 0.736009911859 TCL: Center of mass = 20.9121276304 -1.4657179122 0.686289111574 TCL: atom 1: phi = 0.735746937051 TCL: Center of mass = 20.9137260373 -1.46545262195 0.686593241119 TCL: atom 1: phi = 0.73544516342 TCL: Center of mass = 20.9153139068 -1.46520280749 0.686904240177 TCL: atom 1: phi = 0.735453475683 TCL: Center of mass = 20.9168605253 -1.46497635396 0.687248349389 TCL: atom 1: phi = 0.735451941857 TCL: Center of mass = 20.9183901513 -1.46477462538 0.687585283527 TCL: atom 1: phi = 0.735724259309 TCL: Center of mass = 20.919890753 -1.464583947 0.687922982526 TCL: atom 1: phi = 0.735796029324 TCL: Center of mass = 20.9213927539 -1.46440485668 0.6882543962 TCL: atom 1: phi = 0.735955331621 TCL: Center of mass = 20.9228868099 -1.46421544834 0.68863515309 TCL: atom 1: phi = 0.735808760744 TCL: Center of mass = 20.9244043495 -1.46401322362 0.689020319456 TCL: atom 1: phi = 0.735730014848 TCL: Center of mass = 20.9259021135 -1.46376400668 0.689437191796 TCL: atom 1: phi = 0.735411124701 TCL: Center of mass = 20.9274141672 -1.46348625226 0.689871310553 TCL: atom 1: phi = 0.735299522547 TCL: Center of mass = 20.9289054938 -1.46316037861 0.690335146804 TCL: atom 1: phi = 0.735059559411 TCL: Center of mass = 20.9303892404 -1.46282107234 0.69079118456 TCL: atom 1: phi = 0.735031212239 TCL: Center of mass = 20.931851215 -1.46246862246 0.691248315398 TCL: atom 1: phi = 0.734892344491 TCL: Center of mass = 20.9333097454 -1.46214971491 0.691717517393 TCL: atom 1: phi = 0.734941267769 TCL: Center of mass = 20.9347383303 -1.46184664267 0.69220129595 TCL: atom 1: phi = 0.73478963896 TCL: Center of mass = 20.9361934539 -1.46156666947 0.692711246249 TCL: atom 1: phi = 0.734682365741 TCL: Center of mass = 20.9376520633 -1.4612912587 0.693261314478 TCL: atom 1: phi = 0.734316934142 TCL: Center of mass = 20.9391367609 -1.46099104342 0.6938388006 TCL: atom 1: phi = 0.734012027067 TCL: Center of mass = 20.9406177043 -1.46066736423 0.694462359167 TCL: atom 1: phi = 0.73348717175 TCL: Center of mass = 20.9421158196 -1.46029818816 0.69512797178 TCL: atom 1: phi = 0.733143227521 TCL: Center of mass = 20.9435817527 -1.45990546597 0.695832642457 TCL: atom 1: phi = 0.73273243838 TCL: Center of mass = 20.9450383623 -1.45950780825 0.69654863419 TCL: atom 1: phi = 0.732592193063 TCL: Center of mass = 20.9464614799 -1.45908657028 0.697283643772 TCL: atom 1: phi = 0.732439113873 TCL: Center of mass = 20.9478886148 -1.45866607532 0.69803808545 TCL: atom 1: phi = 0.732473908174 TCL: Center of mass = 20.9493114916 -1.45826084845 0.698785138971 TCL: atom 1: phi = 0.732314840317 TCL: Center of mass = 20.9507731577 -1.45786885825 0.699534202344 TCL: atom 1: phi = 0.732170681557 TCL: Center of mass = 20.9522580709 -1.45745963618 0.700294738615 TCL: atom 1: phi = 0.731726965943 TCL: Center of mass = 20.953786545 -1.45703475415 0.701062455456 TCL: atom 1: phi = 0.731322436542 TCL: Center of mass = 20.9553381818 -1.45661096814 0.701826797015 TCL: atom 1: phi = 0.730712720476 TCL: Center of mass = 20.9569157458 -1.45617879462 0.702587826729 TCL: atom 1: phi = 0.730239070473 TCL: Center of mass = 20.9584622385 -1.45573608265 0.703340689026 TCL: atom 1: phi = 0.729736576892 TCL: Center of mass = 20.960019546 -1.4553142611 0.704071918637 TCL: atom 1: phi = 0.72951133241 TCL: Center of mass = 20.9615492493 -1.45490892602 0.704773681838 TCL: atom 1: phi = 0.729244724075 TCL: Center of mass = 20.9630758508 -1.45450330549 0.705435613859 TCL: atom 1: phi = 0.729157742424 TCL: Center of mass = 20.964604227 -1.45412305059 0.706061253095 TCL: atom 1: phi = 0.728934535479 TCL: Center of mass = 20.9661697272 -1.45378704374 0.706657601645 TCL: atom 1: phi = 0.72872035153 TCL: Center of mass = 20.9677332692 -1.45344834452 0.707243208348 TCL: atom 1: phi = 0.728236181731 TCL: Center of mass = 20.9693402164 -1.45309747746 0.707828034459 TCL: atom 1: phi = 0.727744575471 TCL: Center of mass = 20.9709490269 -1.45276831011 0.708401261425 TCL: atom 1: phi = 0.726967234298 TCL: Center of mass = 20.9725892211 -1.45245471984 0.708977991732 TCL: atom 1: phi = 0.726251598177 TCL: Center of mass = 20.9741964785 -1.45214937301 0.70955105814 TCL: atom 1: phi = 0.725466851615 TCL: Center of mass = 20.9757830625 -1.45184923197 0.710125203647 TCL: atom 1: phi = 0.724920253625 TCL: Center of mass = 20.9773176858 -1.45156031297 0.7106882244 TCL: atom 1: phi = 0.724345360668 TCL: Center of mass = 20.9788265181 -1.45129006896 0.711248388112 TCL: atom 1: phi = 0.724007803769 TCL: Center of mass = 20.9802828741 -1.45104617698 0.711784264018 TCL: atom 1: phi = 0.723543983383 TCL: Center of mass = 20.9817386414 -1.45080891071 0.712292800792 TCL: atom 1: phi = 0.723129606901 TCL: Center of mass = 20.9831733921 -1.45055714091 0.712794955396 TCL: atom 1: phi = 0.72244353144 TCL: Center of mass = 20.9846307409 -1.45032917898 0.713301900014 TCL: atom 1: phi = 0.721710697405 TCL: Center of mass = 20.9860682787 -1.45010486174 0.71379800022 TCL: atom 1: phi = 0.720769796756 TCL: Center of mass = 20.9875036741 -1.44987505626 0.714291865591 TCL: atom 1: phi = 0.7199153439 TCL: Center of mass = 20.9889144974 -1.44967497754 0.71477062275 TCL: atom 1: phi = 0.71898124037 TCL: Center of mass = 20.9903222383 -1.44950880765 0.715250627431 TCL: atom 1: phi = 0.718257970917 TCL: Center of mass = 20.9916716396 -1.44936204882 0.715711358585 TCL: atom 1: phi = 0.717591352548 TCL: Center of mass = 20.9930087172 -1.44924937181 0.716164667591 TCL: atom 1: phi = 0.717190517071 TCL: Center of mass = 20.9943172214 -1.44915336208 0.716587677928 TCL: atom 1: phi = 0.716771434578 TCL: Center of mass = 20.9956294013 -1.44905627809 0.717002849692 TCL: atom 1: phi = 0.716491679311 TCL: Center of mass = 20.9969569472 -1.44896994728 0.717392147221 TCL: atom 1: phi = 0.716104995089 TCL: Center of mass = 20.9983055356 -1.4488745924 0.717785795174 TCL: atom 1: phi = 0.715802781083 TCL: Center of mass = 20.9996629739 -1.44877402344 0.718172747372 TCL: atom 1: phi = 0.715422495314 TCL: Center of mass = 21.0010512926 -1.44867714301 0.718549164059 TCL: atom 1: phi = 0.715200774286 TCL: Center of mass = 21.0024433147 -1.44861170356 0.718898148332 TCL: atom 1: phi = 0.715059587914 TCL: Center of mass = 21.0038695841 -1.44858795639 0.719241506789 TCL: atom 1: phi = 0.715284997844 TCL: Center of mass = 21.0053053653 -1.44860831963 0.719571188575 TCL: atom 1: phi = 0.715620960205 TCL: Center of mass = 21.006766824 -1.44866397244 0.719917396647 TCL: atom 1: phi = 0.716341828005 TCL: Center of mass = 21.0082516 -1.44875585847 0.720237164831 TCL: atom 1: phi = 0.717145321946 TCL: Center of mass = 21.0098019029 -1.44888034863 0.720574338249 TCL: atom 1: phi = 0.718179004392 TCL: Center of mass = 21.0113896961 -1.44899436667 0.720930618466 TCL: atom 1: phi = 0.719108552984 TCL: Center of mass = 21.0130104521 -1.44909305485 0.721311361603 TCL: atom 1: phi = 0.720104096858 TCL: Center of mass = 21.0146311288 -1.44917741766 0.721701744561 TCL: atom 1: phi = 0.720904394997 TCL: Center of mass = 21.0162598006 -1.4492540658 0.722097244869 TCL: atom 1: phi = 0.721741125893 TCL: Center of mass = 21.017867953 -1.4493639978 0.722494833543 TCL: atom 1: phi = 0.722451869872 TCL: Center of mass = 21.019463985 -1.44951813951 0.722886817043 TCL: atom 1: phi = 0.723271587605 TCL: Center of mass = 21.0210387305 -1.44971644532 0.723256184279 TCL: atom 1: phi = 0.723974596623 TCL: Center of mass = 21.0226253254 -1.4499469143 0.723610069888 TCL: atom 1: phi = 0.724806850537 TCL: Center of mass = 21.0241763693 -1.45019219677 0.723950611586 TCL: atom 1: phi = 0.725500248389 TCL: Center of mass = 21.0257267344 -1.45044860249 0.72430522888 TCL: atom 1: phi = 0.726240367763 TCL: Center of mass = 21.0272556914 -1.45069183931 0.724654503126 TCL: atom 1: phi = 0.72670776097 TCL: Center of mass = 21.0287812041 -1.45093448046 0.725011818995 TCL: atom 1: phi = 0.727079830886 TCL: Center of mass = 21.0302625571 -1.45115613852 0.7253540305 TCL: atom 1: phi = 0.727125887358 TCL: Center of mass = 21.0317196286 -1.4513723051 0.725697117282 TCL: atom 1: phi = 0.727116406548 TCL: Center of mass = 21.0331139209 -1.45159078786 0.725994720378 TCL: atom 1: phi = 0.726840480912 TCL: Center of mass = 21.0344881235 -1.45179744809 0.726269094874 TCL: atom 1: phi = 0.726653323972 TCL: Center of mass = 21.0358504445 -1.45199754249 0.726522390575 TCL: atom 1: phi = 0.726355174212 TCL: Center of mass = 21.0372319 -1.45223178346 0.726776391271 TCL: atom 1: phi = 0.726174381619 TCL: Center of mass = 21.038621525 -1.45246717513 0.727013944319 TCL: atom 1: phi = 0.725892597045 TCL: Center of mass = 21.0400449452 -1.45270154963 0.72726937085 TCL: atom 1: phi = 0.725723638501 TCL: Center of mass = 21.0415014781 -1.45292385407 0.7275240987 TCL: atom 1: phi = 0.72537477972 TCL: Center of mass = 21.0429868857 -1.45311985351 0.727803423011 TCL: atom 1: phi = 0.725036601705 TCL: Center of mass = 21.0444991394 -1.4532567722 0.72808046261 TCL: atom 1: phi = 0.724475613997 TCL: Center of mass = 21.0460483451 -1.45336314427 0.728367574832 TCL: atom 1: phi = 0.723929020401 TCL: Center of mass = 21.0476270904 -1.45343266351 0.728643664164 TCL: atom 1: phi = 0.723230484983 TCL: Center of mass = 21.0492080064 -1.45350007014 0.728924065844 TCL: atom 1: phi = 0.722713027579 TCL: Center of mass = 21.0507823859 -1.45356895559 0.729198240105 TCL: atom 1: phi = 0.722197559609 WRITING COORDINATES TO DCD FILE AT STEP 15100 WRITING COORDINATES TO RESTART FILE AT STEP 15100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15100 FINISHED WRITING RESTART VELOCITIES TIMING: 15100 CPU: 808.022, 0.0539118/step Wall: 964.53, 0.0640867/step, 0.0872292 hours remaining, 13612 kB of memory in use. ENERGY: 15100 3561.2358 2580.1059 391.6943 31.5775 -45036.6605 4277.9221 0.0000 0.0000 9826.4244 -24367.7007 291.2952 -24222.1808 -24217.4176 294.2322 1379.4903 -112.4195 125000.0000 -470.7546 -467.4532 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15100 TCL: Center of mass = 21.0523833732 -1.45366498299 0.729466610885 TCL: atom 1: phi = 0.721920537934 TCL: Center of mass = 21.0539972939 -1.45375757834 0.72972413892 TCL: atom 1: phi = 0.721668265926 TCL: Center of mass = 21.0556400059 -1.45386262964 0.729999080511 TCL: atom 1: phi = 0.721583692243 TCL: Center of mass = 21.0573069399 -1.453935322 0.730263768695 TCL: atom 1: phi = 0.721426999712 TCL: Center of mass = 21.0590033672 -1.45397919223 0.730525273523 TCL: atom 1: phi = 0.721324336286 TCL: Center of mass = 21.0606720805 -1.45398291794 0.730796602981 TCL: atom 1: phi = 0.721077260122 TCL: Center of mass = 21.0623111823 -1.45397654597 0.731065824674 TCL: atom 1: phi = 0.720872337491 TCL: Center of mass = 21.0638968597 -1.45394109631 0.731300009434 TCL: atom 1: phi = 0.720562537628 TCL: Center of mass = 21.0654765032 -1.45391390972 0.731510026298 TCL: atom 1: phi = 0.720343424414 TCL: Center of mass = 21.0670101545 -1.45388222119 0.731697083029 TCL: atom 1: phi = 0.720083146581 TCL: Center of mass = 21.0685494647 -1.45388832594 0.731832068331 TCL: atom 1: phi = 0.71998426924 TCL: Center of mass = 21.0700909788 -1.45387773449 0.731937916225 TCL: atom 1: phi = 0.7199152937 TCL: Center of mass = 21.071655119 -1.45388854411 0.732050719138 TCL: atom 1: phi = 0.719984601104 TCL: Center of mass = 21.0732204794 -1.4539020274 0.732153757993 TCL: atom 1: phi = 0.720027492741 TCL: Center of mass = 21.0748126655 -1.4539176073 0.732285670541 TCL: atom 1: phi = 0.720116164969 TCL: Center of mass = 21.0764083002 -1.45393558032 0.732441619802 TCL: atom 1: phi = 0.720084413323 TCL: Center of mass = 21.0780115134 -1.45394290305 0.732608930283 TCL: atom 1: phi = 0.720047732857 TCL: Center of mass = 21.079605376 -1.45397243428 0.732760367425 TCL: atom 1: phi = 0.719898106561 TCL: Center of mass = 21.081172336 -1.45402474813 0.732912961319 TCL: atom 1: phi = 0.71978035369 TCL: Center of mass = 21.0827177258 -1.45408616194 0.733014663826 TCL: atom 1: phi = 0.719636751438 TCL: Center of mass = 21.0842730759 -1.45416354091 0.733100109315 TCL: atom 1: phi = 0.719591082216 TCL: Center of mass = 21.0858520339 -1.45425712594 0.733182984976 TCL: atom 1: phi = 0.71950238304 TCL: Center of mass = 21.0874746644 -1.45436989816 0.733283413014 TCL: atom 1: phi = 0.719514675816 TCL: Center of mass = 21.0891419916 -1.45448272511 0.733395706815 TCL: atom 1: phi = 0.719437753963 TCL: Center of mass = 21.0908686983 -1.454590991 0.733514054062 TCL: atom 1: phi = 0.719392856916 TCL: Center of mass = 21.0926294436 -1.45469623164 0.733625918714 TCL: atom 1: phi = 0.719268597329 TCL: Center of mass = 21.0944111388 -1.45479037725 0.73373147127 TCL: atom 1: phi = 0.719150251498 TCL: Center of mass = 21.0961447398 -1.45489117299 0.733811369649 TCL: atom 1: phi = 0.718972568491 TCL: Center of mass = 21.0978665418 -1.45500827348 0.733849458258 TCL: atom 1: phi = 0.718928021978 TCL: Center of mass = 21.0995624881 -1.45514671223 0.733829936224 TCL: atom 1: phi = 0.718935218069 TCL: Center of mass = 21.1012685816 -1.45530707095 0.733769235442 TCL: atom 1: phi = 0.719097290668 TCL: Center of mass = 21.1029566521 -1.45545766274 0.733672103059 TCL: atom 1: phi = 0.719346901875 TCL: Center of mass = 21.1046909643 -1.45559853273 0.733559537971 TCL: atom 1: phi = 0.719841011313 TCL: Center of mass = 21.106437167 -1.45571472275 0.733445436258 TCL: atom 1: phi = 0.720392939227 TCL: Center of mass = 21.1082329842 -1.45581745522 0.733354013082 TCL: atom 1: phi = 0.721116783512 TCL: Center of mass = 21.1100403319 -1.45589756852 0.733277946614 TCL: atom 1: phi = 0.721857115748 TCL: Center of mass = 21.1118640311 -1.45596748897 0.733180487761 TCL: atom 1: phi = 0.722784473461 TCL: Center of mass = 21.1136616348 -1.45602792445 0.733084123611 TCL: atom 1: phi = 0.723769277741 TCL: Center of mass = 21.1154523606 -1.45609917019 0.732985238896 TCL: atom 1: phi = 0.7249355743 TCL: Center of mass = 21.1171975055 -1.4561864336 0.732878127012 TCL: atom 1: phi = 0.726110871658 TCL: Center of mass = 21.1189559017 -1.45630239872 0.732760093108 TCL: atom 1: phi = 0.727507508772 TCL: Center of mass = 21.1206997085 -1.45640495401 0.732635785849 TCL: atom 1: phi = 0.728960820857 TCL: Center of mass = 21.1224789966 -1.45651314744 0.732535984164 TCL: atom 1: phi = 0.730642216345 TCL: Center of mass = 21.1242586927 -1.456598993 0.73247397552 TCL: atom 1: phi = 0.732355298436 TCL: Center of mass = 21.1260587005 -1.45668443072 0.732442714905 TCL: atom 1: phi = 0.7342196377 TCL: Center of mass = 21.1278378971 -1.45675370535 0.732459294865 TCL: atom 1: phi = 0.736046140568 TCL: Center of mass = 21.1296178193 -1.45683757663 0.732498296784 TCL: atom 1: phi = 0.737964317823 TCL: Center of mass = 21.1313298254 -1.45693995781 0.732564247122 TCL: atom 1: phi = 0.73973685305 TCL: Center of mass = 21.1330000776 -1.45705736137 0.732627394944 TCL: atom 1: phi = 0.741525404171 TCL: Center of mass = 21.1346107624 -1.45719113522 0.732712736141 TCL: atom 1: phi = 0.743085983286 TCL: Center of mass = 21.1362062704 -1.45736636582 0.732818242133 TCL: atom 1: phi = 0.744744343062 TCL: Center of mass = 21.1377486528 -1.45754641404 0.732970956795 TCL: atom 1: phi = 0.746230794687 TCL: Center of mass = 21.1392918365 -1.45773436025 0.73313166959 TCL: atom 1: phi = 0.74780603888 TCL: Center of mass = 21.1408078275 -1.45790576043 0.733324988091 TCL: atom 1: phi = 0.749254616519 TCL: Center of mass = 21.1423270492 -1.45805355429 0.7335281041 TCL: atom 1: phi = 0.750800500606 TCL: Center of mass = 21.1438049635 -1.45816250582 0.733751249277 TCL: atom 1: phi = 0.752149492236 TCL: Center of mass = 21.1452711826 -1.45827758664 0.733996129161 TCL: atom 1: phi = 0.753521603907 TCL: Center of mass = 21.1466888074 -1.45838871219 0.734264206727 TCL: atom 1: phi = 0.754642767999 TCL: Center of mass = 21.1481176876 -1.45852788061 0.734534099272 TCL: atom 1: phi = 0.755792300132 TCL: Center of mass = 21.1495322387 -1.4586624211 0.734826195906 TCL: atom 1: phi = 0.756767172945 TCL: Center of mass = 21.1509583074 -1.45883217561 0.735127665816 TCL: atom 1: phi = 0.757738863751 TCL: Center of mass = 21.1523904783 -1.45898269986 0.735473073752 TCL: atom 1: phi = 0.75851243346 TCL: Center of mass = 21.1538645245 -1.45914523714 0.735824861554 TCL: atom 1: phi = 0.759391828362 TCL: Center of mass = 21.1553352236 -1.45928100771 0.736223642833 TCL: atom 1: phi = 0.760110248627 TCL: Center of mass = 21.1568217234 -1.45938606058 0.736637467401 TCL: atom 1: phi = 0.760906822151 TCL: Center of mass = 21.158287484 -1.45943737259 0.737062965528 TCL: atom 1: phi = 0.76149197333 TCL: Center of mass = 21.1597653495 -1.45948442725 0.737458627247 TCL: atom 1: phi = 0.762177004132 TCL: Center of mass = 21.1611829336 -1.45951989681 0.737850919585 TCL: atom 1: phi = 0.762662904513 TCL: Center of mass = 21.1625970156 -1.45955702118 0.738223141904 TCL: atom 1: phi = 0.763177208847 TCL: Center of mass = 21.1640019823 -1.45959152811 0.738592573896 TCL: atom 1: phi = 0.763397438949 TCL: Center of mass = 21.165442411 -1.45963876094 0.738964647156 TCL: atom 1: phi = 0.763675466628 TCL: Center of mass = 21.1668922848 -1.45966661628 0.739357379889 TCL: atom 1: phi = 0.763692123549 TCL: Center of mass = 21.1684087357 -1.45965630552 0.739779323609 TCL: atom 1: phi = 0.763825382196 TCL: Center of mass = 21.1699251601 -1.45957354737 0.740229982053 TCL: atom 1: phi = 0.763840863829 TCL: Center of mass = 21.1714601903 -1.45946767051 0.74067736997 TCL: atom 1: phi = 0.764000198764 TCL: Center of mass = 21.1729821192 -1.45931912586 0.741110199523 TCL: atom 1: phi = 0.764006593465 TCL: Center of mass = 21.1744881668 -1.45915735507 0.741501651132 TCL: atom 1: phi = 0.764139865387 TCL: Center of mass = 21.1759723102 -1.4589575595 0.741830386215 TCL: atom 1: phi = 0.764145597981 TCL: Center of mass = 21.1774549486 -1.45875722829 0.742112578514 TCL: atom 1: phi = 0.764232294154 TCL: Center of mass = 21.1789120756 -1.45855470052 0.742389259441 TCL: atom 1: phi = 0.764128954769 TCL: Center of mass = 21.1804114637 -1.45834402043 0.742667278612 TCL: atom 1: phi = 0.764104612152 TCL: Center of mass = 21.1819500758 -1.45811880258 0.742975377339 TCL: atom 1: phi = 0.763933949858 TCL: Center of mass = 21.1835429528 -1.45788583186 0.743305087534 TCL: atom 1: phi = 0.763869057737 TCL: Center of mass = 21.1851366378 -1.45760628317 0.74367395731 TCL: atom 1: phi = 0.763677494788 TCL: Center of mass = 21.1867327196 -1.45732270741 0.744065963629 TCL: atom 1: phi = 0.763615737509 TCL: Center of mass = 21.1882731806 -1.45699451111 0.744449391084 TCL: atom 1: phi = 0.763447304752 TCL: Center of mass = 21.1898004641 -1.45667068372 0.744817704166 TCL: atom 1: phi = 0.763428136888 TCL: Center of mass = 21.1912596433 -1.45635904813 0.745163848608 TCL: atom 1: phi = 0.763304012859 TCL: Center of mass = 21.1926977142 -1.45607460881 0.745489459403 TCL: atom 1: phi = 0.763357826064 TCL: Center of mass = 21.1940975151 -1.45579688729 0.745826926962 TCL: atom 1: phi = 0.763261751863 TCL: Center of mass = 21.1955204593 -1.45556229069 0.746175069789 TCL: atom 1: phi = 0.763267249368 TCL: Center of mass = 21.1969568918 -1.45532543259 0.746543288054 TCL: atom 1: phi = 0.763166858263 TCL: Center of mass = 21.1984350001 -1.45510988215 0.746967019314 TCL: atom 1: phi = 0.763168600665 TCL: Center of mass = 21.1999005711 -1.45487921563 0.747461651243 TCL: atom 1: phi = 0.763021498884 TCL: Center of mass = 21.2013675427 -1.454641104 0.747988054406 TCL: atom 1: phi = 0.763001076931 TCL: Center of mass = 21.202795621 -1.4544014549 0.748511325269 TCL: atom 1: phi = 0.762901381895 TCL: Center of mass = 21.2042288128 -1.45415336183 0.749026251659 TCL: atom 1: phi = 0.763003991785 TCL: Center of mass = 21.2056080214 -1.45390404519 0.749486770942 TCL: atom 1: phi = 0.763076397772 TCL: Center of mass = 21.2069677961 -1.45365089938 0.749915248983 TCL: atom 1: phi = 0.763291925121 TCL: Center of mass = 21.2082974549 -1.45339422189 0.750297450379 TCL: atom 1: phi = 0.763483840751 WRITING COORDINATES TO DCD FILE AT STEP 15200 WRITING COORDINATES TO RESTART FILE AT STEP 15200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15200 FINISHED WRITING RESTART VELOCITIES TIMING: 15200 CPU: 813.431, 0.0540918/step Wall: 970.957, 0.0642751/step, 0.0857001 hours remaining, 13612 kB of memory in use. ENERGY: 15200 3502.7692 2560.4118 401.3702 35.9226 -45192.3495 4333.9289 0.0000 0.0000 9904.3905 -24453.5563 293.6064 -24310.6761 -24293.9561 292.1849 1392.0523 -100.5577 125000.0000 -47.7532 -45.0278 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15200 TCL: Center of mass = 21.2096467315 -1.45315033905 0.750659141642 TCL: atom 1: phi = 0.763732658969 TCL: Center of mass = 21.2110272566 -1.45289031622 0.751036705844 TCL: atom 1: phi = 0.763933208531 TCL: Center of mass = 21.2124377406 -1.45262063437 0.751425980076 TCL: atom 1: phi = 0.764223126902 TCL: Center of mass = 21.2138689721 -1.45233457331 0.751846821079 TCL: atom 1: phi = 0.764476490799 TCL: Center of mass = 21.2153154866 -1.45202562986 0.752280701825 TCL: atom 1: phi = 0.764846891087 TCL: Center of mass = 21.2167386704 -1.45170165975 0.752714831864 TCL: atom 1: phi = 0.765206819952 TCL: Center of mass = 21.2181200101 -1.45136161451 0.753146266301 TCL: atom 1: phi = 0.765673786359 TCL: Center of mass = 21.2194679596 -1.45100066258 0.753562885924 TCL: atom 1: phi = 0.766106935994 TCL: Center of mass = 21.220822339 -1.45062942711 0.753922839091 TCL: atom 1: phi = 0.766594682434 TCL: Center of mass = 21.2221790268 -1.45025257457 0.75427112223 TCL: atom 1: phi = 0.766957774584 TCL: Center of mass = 21.2235667904 -1.44988859807 0.754639485592 TCL: atom 1: phi = 0.767324690321 TCL: Center of mass = 21.2249439161 -1.44952167968 0.755013296893 TCL: atom 1: phi = 0.767465168925 TCL: Center of mass = 21.2263484537 -1.4491541254 0.755411410513 TCL: atom 1: phi = 0.767551582321 TCL: Center of mass = 21.2277536167 -1.44877915304 0.755816112816 TCL: atom 1: phi = 0.767487685544 TCL: Center of mass = 21.2291780435 -1.44841109108 0.756245569422 TCL: atom 1: phi = 0.767474881581 TCL: Center of mass = 21.2305691128 -1.44804148222 0.756688579548 TCL: atom 1: phi = 0.76742790153 TCL: Center of mass = 21.2319635862 -1.44769777282 0.757154584817 TCL: atom 1: phi = 0.767543270164 TCL: Center of mass = 21.2333040989 -1.44739061531 0.75761444332 TCL: atom 1: phi = 0.767645782295 TCL: Center of mass = 21.2346317775 -1.44711548661 0.758064788912 TCL: atom 1: phi = 0.76789051119 TCL: Center of mass = 21.2359599389 -1.4468846458 0.75849954929 TCL: atom 1: phi = 0.768106054074 TCL: Center of mass = 21.2373128123 -1.44667099302 0.758926174507 TCL: atom 1: phi = 0.768362455056 TCL: Center of mass = 21.2386964241 -1.4464820798 0.75930254373 TCL: atom 1: phi = 0.768495586013 TCL: Center of mass = 21.2400986757 -1.4462957953 0.759663390286 TCL: atom 1: phi = 0.768653697156 TCL: Center of mass = 21.2415113293 -1.44613699458 0.759986709352 TCL: atom 1: phi = 0.768660932737 TCL: Center of mass = 21.2429293817 -1.44600840962 0.760291201361 TCL: atom 1: phi = 0.76871405298 TCL: Center of mass = 21.2443090532 -1.44592009604 0.760552892481 TCL: atom 1: phi = 0.768705812574 TCL: Center of mass = 21.2456731041 -1.44584997362 0.760793376388 TCL: atom 1: phi = 0.768803658995 TCL: Center of mass = 21.2470042836 -1.4458234535 0.760989274166 TCL: atom 1: phi = 0.768890530952 TCL: Center of mass = 21.2483418796 -1.44581830547 0.761159321642 TCL: atom 1: phi = 0.769086342676 TCL: Center of mass = 21.2496621895 -1.44584176359 0.761287210094 TCL: atom 1: phi = 0.769285264696 TCL: Center of mass = 21.2510129013 -1.44587815476 0.761411583706 TCL: atom 1: phi = 0.769519059269 TCL: Center of mass = 21.2523501137 -1.44590581602 0.761521335821 TCL: atom 1: phi = 0.769600311761 TCL: Center of mass = 21.2537278288 -1.44591476451 0.7616423827 TCL: atom 1: phi = 0.769661524566 TCL: Center of mass = 21.2550745733 -1.44591107789 0.761738468291 TCL: atom 1: phi = 0.769581948442 TCL: Center of mass = 21.2563919932 -1.44589862909 0.761826449139 TCL: atom 1: phi = 0.76949164068 TCL: Center of mass = 21.2576649492 -1.44587116684 0.761917328907 TCL: atom 1: phi = 0.76935014273 TCL: Center of mass = 21.258916737 -1.44587497736 0.762013692046 TCL: atom 1: phi = 0.769408671051 TCL: Center of mass = 21.2601240948 -1.44590115706 0.762089216586 TCL: atom 1: phi = 0.769549236359 TCL: Center of mass = 21.2613526292 -1.44594264159 0.762170351489 TCL: atom 1: phi = 0.7699316602 TCL: Center of mass = 21.2625668383 -1.44598467209 0.762249196745 TCL: atom 1: phi = 0.770443706864 TCL: Center of mass = 21.2638251356 -1.44599486515 0.762333257481 TCL: atom 1: phi = 0.771142146448 TCL: Center of mass = 21.2651096477 -1.44597421995 0.762427421926 TCL: atom 1: phi = 0.771852227225 TCL: Center of mass = 21.2664291983 -1.44591814112 0.762510945239 TCL: atom 1: phi = 0.772656974624 TCL: Center of mass = 21.2677441582 -1.44585885734 0.762579981333 TCL: atom 1: phi = 0.773416965795 TCL: Center of mass = 21.269069641 -1.44578529199 0.7626251197 TCL: atom 1: phi = 0.774354339154 TCL: Center of mass = 21.2703662938 -1.44573036855 0.762623877994 TCL: atom 1: phi = 0.775344598104 TCL: Center of mass = 21.2716622795 -1.4456973271 0.762580722524 TCL: atom 1: phi = 0.776632004782 TCL: Center of mass = 21.2729337811 -1.44568577609 0.762482358617 TCL: atom 1: phi = 0.777990559326 TCL: Center of mass = 21.2742193102 -1.44571566913 0.762363038381 TCL: atom 1: phi = 0.779654364771 TCL: Center of mass = 21.2755339581 -1.4457556077 0.762232063899 TCL: atom 1: phi = 0.781367187873 TCL: Center of mass = 21.2768758542 -1.44581188627 0.762086545935 TCL: atom 1: phi = 0.783216232122 TCL: Center of mass = 21.2782386947 -1.44585960423 0.761945800559 TCL: atom 1: phi = 0.78497202415 TCL: Center of mass = 21.2796237208 -1.44590267137 0.761797933973 TCL: atom 1: phi = 0.786713910023 TCL: Center of mass = 21.2810124369 -1.44590088086 0.761646270716 TCL: atom 1: phi = 0.788247766637 TCL: Center of mass = 21.2823822029 -1.44588150817 0.761501155433 TCL: atom 1: phi = 0.789761715418 TCL: Center of mass = 21.2837189349 -1.44587469813 0.761352377917 TCL: atom 1: phi = 0.791052341482 TCL: Center of mass = 21.2850115809 -1.44589842684 0.761189386016 TCL: atom 1: phi = 0.792386120513 TCL: Center of mass = 21.2862803235 -1.44596406901 0.761026991528 TCL: atom 1: phi = 0.79364639934 TCL: Center of mass = 21.2875654799 -1.44605027108 0.760862832175 TCL: atom 1: phi = 0.795145934646 TCL: Center of mass = 21.2888467676 -1.44613575383 0.760725008485 TCL: atom 1: phi = 0.796652957588 TCL: Center of mass = 21.2901621364 -1.44624643163 0.760626578408 TCL: atom 1: phi = 0.798371871151 TCL: Center of mass = 21.2915020572 -1.44633937412 0.760576558086 TCL: atom 1: phi = 0.800000075127 TCL: Center of mass = 21.2928656095 -1.44641321935 0.760566863449 TCL: atom 1: phi = 0.801704818235 TCL: Center of mass = 21.294239073 -1.44645217151 0.76060738966 TCL: atom 1: phi = 0.803170311874 TCL: Center of mass = 21.2956039116 -1.44646818819 0.76066238837 TCL: atom 1: phi = 0.804666289971 TCL: Center of mass = 21.2969381926 -1.44647204948 0.76071340022 TCL: atom 1: phi = 0.805887540661 TCL: Center of mass = 21.2982709469 -1.44648954038 0.760750584445 TCL: atom 1: phi = 0.807261903568 TCL: Center of mass = 21.2995860898 -1.44651965432 0.760761177127 TCL: atom 1: phi = 0.808424761839 TCL: Center of mass = 21.3009296622 -1.44655394497 0.76075402493 TCL: atom 1: phi = 0.809783409801 TCL: Center of mass = 21.3022912863 -1.4465931514 0.760727258774 TCL: atom 1: phi = 0.810944580694 TCL: Center of mass = 21.3036783918 -1.44663295919 0.760698887816 TCL: atom 1: phi = 0.812158733163 TCL: Center of mass = 21.3050860418 -1.44664303491 0.760682940971 TCL: atom 1: phi = 0.812965506568 TCL: Center of mass = 21.3065290748 -1.44661626605 0.760657710606 TCL: atom 1: phi = 0.813700579754 TCL: Center of mass = 21.3079567499 -1.44656769152 0.760640591864 TCL: atom 1: phi = 0.813918140781 TCL: Center of mass = 21.3093804846 -1.44647727895 0.760629706274 TCL: atom 1: phi = 0.814042232666 TCL: Center of mass = 21.3107492018 -1.44638105885 0.7606050277 TCL: atom 1: phi = 0.813720010168 TCL: Center of mass = 21.3121109675 -1.44628531755 0.760559605364 TCL: atom 1: phi = 0.813434127679 TCL: Center of mass = 21.3134572551 -1.44621479494 0.76048997815 TCL: atom 1: phi = 0.812951866953 TCL: Center of mass = 21.3148262747 -1.44617178886 0.760403090015 TCL: atom 1: phi = 0.812697119407 TCL: Center of mass = 21.3162182603 -1.44616535701 0.760338600546 TCL: atom 1: phi = 0.81234273206 TCL: Center of mass = 21.3176421103 -1.44617713083 0.760292170165 TCL: atom 1: phi = 0.812193739015 TCL: Center of mass = 21.319096228 -1.44619433412 0.760304767419 TCL: atom 1: phi = 0.811923510895 TCL: Center of mass = 21.320559628 -1.44621867355 0.760365109216 TCL: atom 1: phi = 0.811732776116 TCL: Center of mass = 21.3219996955 -1.44622650755 0.76048272808 TCL: atom 1: phi = 0.811329247538 TCL: Center of mass = 21.3234446067 -1.44621678483 0.76062968798 TCL: atom 1: phi = 0.810942224256 TCL: Center of mass = 21.3248509865 -1.4462285184 0.76081074515 TCL: atom 1: phi = 0.810381198797 TCL: Center of mass = 21.3262433593 -1.44624945137 0.76102882587 TCL: atom 1: phi = 0.809948887183 TCL: Center of mass = 21.3276433619 -1.44625384284 0.761254804746 TCL: atom 1: phi = 0.809440920662 TCL: Center of mass = 21.3290868259 -1.44625614846 0.761485364853 TCL: atom 1: phi = 0.809195281109 TCL: Center of mass = 21.3305542985 -1.4462414906 0.761721793298 TCL: atom 1: phi = 0.808925712233 TCL: Center of mass = 21.3320580689 -1.44620629073 0.761956727641 TCL: atom 1: phi = 0.80881064351 TCL: Center of mass = 21.3335805902 -1.44613710501 0.762213798169 TCL: atom 1: phi = 0.808573945306 TCL: Center of mass = 21.3351195708 -1.44606907418 0.762498388622 TCL: atom 1: phi = 0.808309537918 TCL: Center of mass = 21.3366387308 -1.44598529126 0.762796721353 TCL: atom 1: phi = 0.807721405187 TCL: Center of mass = 21.3381358203 -1.44590914623 0.763097655591 TCL: atom 1: phi = 0.807046244131 TCL: Center of mass = 21.3395749384 -1.44581489194 0.763403666689 TCL: atom 1: phi = 0.806081403158 TCL: Center of mass = 21.3409800384 -1.44573638455 0.763708030073 TCL: atom 1: phi = 0.805158508395 TCL: Center of mass = 21.3423509872 -1.44565656678 0.764014488533 TCL: atom 1: phi = 0.804161619101 TCL: Center of mass = 21.3437300464 -1.44558389325 0.764296555153 TCL: atom 1: phi = 0.803367226125 TCL: Center of mass = 21.3451119623 -1.44548460013 0.764551743828 TCL: atom 1: phi = 0.802551276641 WRITING COORDINATES TO DCD FILE AT STEP 15300 WRITING COORDINATES TO RESTART FILE AT STEP 15300 FINISHED WRITING RESTART COORDINATES TIMING: 15300 CPU: 818.832, 0.0540018/step Wall: 977.365, 0.0640819/step, 0.0836625 hours remaining, 13612 kB of memory in use. ENERGY: 15300 3604.9818 2479.6781 397.1629 40.2667 -45049.7745 4223.1639 0.0000 0.0000 9853.7677 -24450.7534 292.1058 -24306.5920 -24296.0501 292.5553 826.5376 -599.9274 125000.0000 -302.9738 -303.1591 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15300 WRITING VELOCITIES TO RESTART FILE AT STEP 15300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 21.3465168979 -1.44537293488 0.764795845209 TCL: atom 1: phi = 0.801941657944 TCL: Center of mass = 21.3479438501 -1.44523686105 0.765045168452 TCL: atom 1: phi = 0.801359816072 TCL: Center of mass = 21.3493755618 -1.44509791907 0.765293129307 TCL: atom 1: phi = 0.800965169644 TCL: Center of mass = 21.3508026918 -1.44498055553 0.765556943555 TCL: atom 1: phi = 0.80059429083 TCL: Center of mass = 21.3522116294 -1.44488631761 0.765850928748 TCL: atom 1: phi = 0.800444881493 TCL: Center of mass = 21.3535942298 -1.4448058926 0.766170599653 TCL: atom 1: phi = 0.800348764003 TCL: Center of mass = 21.3549466166 -1.44475728838 0.76650652345 TCL: atom 1: phi = 0.800574336926 TCL: Center of mass = 21.3562860779 -1.44471386516 0.766844680642 TCL: atom 1: phi = 0.800984328223 TCL: Center of mass = 21.3576579969 -1.44463993741 0.767189937367 TCL: atom 1: phi = 0.801762662307 TCL: Center of mass = 21.3590332159 -1.44449008322 0.767535277169 TCL: atom 1: phi = 0.802741604784 TCL: Center of mass = 21.3604577883 -1.44427470621 0.767902319895 TCL: atom 1: phi = 0.804013605426 TCL: Center of mass = 21.3619153641 -1.44400281616 0.768278420412 TCL: atom 1: phi = 0.805417230945 TCL: Center of mass = 21.363415734 -1.44366218988 0.768678445142 TCL: atom 1: phi = 0.806988546529 TCL: Center of mass = 21.3649329735 -1.4432937739 0.76907532906 TCL: atom 1: phi = 0.80849370396 TCL: Center of mass = 21.3664403794 -1.44292689821 0.769475736068 TCL: atom 1: phi = 0.810006017384 TCL: Center of mass = 21.3679527234 -1.44256103089 0.769902431055 TCL: atom 1: phi = 0.811348872392 TCL: Center of mass = 21.3694788134 -1.44220517549 0.770369887312 TCL: atom 1: phi = 0.812691018386 TCL: Center of mass = 21.3710133703 -1.44186279825 0.770840920563 TCL: atom 1: phi = 0.813941826328 TCL: Center of mass = 21.3725803096 -1.44152459324 0.771295160644 TCL: atom 1: phi = 0.815269909808 TCL: Center of mass = 21.3741707839 -1.44118991313 0.77176064742 TCL: atom 1: phi = 0.816546424991 TCL: Center of mass = 21.3757866834 -1.44082112453 0.772224053746 TCL: atom 1: phi = 0.817897298129 TCL: Center of mass = 21.377418255 -1.44041777461 0.772677162339 TCL: atom 1: phi = 0.819152854378 TCL: Center of mass = 21.3790629418 -1.4400086092 0.773091574182 TCL: atom 1: phi = 0.820383151278 TCL: Center of mass = 21.3806866258 -1.43960802898 0.773471569638 TCL: atom 1: phi = 0.821407253542 TCL: Center of mass = 21.3823126542 -1.4392556133 0.773828790467 TCL: atom 1: phi = 0.822337656474 TCL: Center of mass = 21.3839082853 -1.43896342661 0.77417745279 TCL: atom 1: phi = 0.823048094036 TCL: Center of mass = 21.3855114482 -1.43875083442 0.774533025604 TCL: atom 1: phi = 0.823745835318 TCL: Center of mass = 21.387088286 -1.43858600486 0.774903581258 TCL: atom 1: phi = 0.824289773376 TCL: Center of mass = 21.3886860551 -1.43848906493 0.775299926416 TCL: atom 1: phi = 0.824874093007 TCL: Center of mass = 21.3902838506 -1.43837304112 0.775730685673 TCL: atom 1: phi = 0.825417329073 TCL: Center of mass = 21.391877951 -1.43824274672 0.776186910685 TCL: atom 1: phi = 0.826097655906 TCL: Center of mass = 21.3934679939 -1.43805528139 0.776660988991 TCL: atom 1: phi = 0.826670674505 TCL: Center of mass = 21.3950881908 -1.43780773029 0.777103576678 TCL: atom 1: phi = 0.827253823 TCL: Center of mass = 21.3966936052 -1.43750862577 0.777521528001 TCL: atom 1: phi = 0.827575179374 TCL: Center of mass = 21.3983171135 -1.43719643044 0.777930249577 TCL: atom 1: phi = 0.827830050539 TCL: Center of mass = 21.3999390221 -1.43690744191 0.778312774969 TCL: atom 1: phi = 0.827876170549 TCL: Center of mass = 21.401576219 -1.4366566866 0.778696191127 TCL: atom 1: phi = 0.827861739745 TCL: Center of mass = 21.4032221724 -1.43641740165 0.779071026873 TCL: atom 1: phi = 0.827729553804 TCL: Center of mass = 21.4049079375 -1.43619980365 0.779476253507 TCL: atom 1: phi = 0.827686877488 TCL: Center of mass = 21.4065957683 -1.43596579619 0.779875814896 TCL: atom 1: phi = 0.827611136292 TCL: Center of mass = 21.4082947653 -1.43571060482 0.780286059789 TCL: atom 1: phi = 0.827652825497 TCL: Center of mass = 21.4099903365 -1.43543598172 0.78070284584 TCL: atom 1: phi = 0.827659316066 TCL: Center of mass = 21.4116822607 -1.43513915119 0.781129178964 TCL: atom 1: phi = 0.827744818965 TCL: Center of mass = 21.4133405247 -1.434806464 0.781528991494 TCL: atom 1: phi = 0.827686693779 TCL: Center of mass = 21.4149867475 -1.4344642259 0.781902947354 TCL: atom 1: phi = 0.827574344215 TCL: Center of mass = 21.4166081126 -1.43414718607 0.782221696602 TCL: atom 1: phi = 0.827229062176 TCL: Center of mass = 21.4182452973 -1.43388281176 0.782530831559 TCL: atom 1: phi = 0.826869001071 TCL: Center of mass = 21.4198707044 -1.43364803828 0.782824410595 TCL: atom 1: phi = 0.826423660947 TCL: Center of mass = 21.4215216383 -1.43346261129 0.783124000257 TCL: atom 1: phi = 0.826105067408 TCL: Center of mass = 21.4231841281 -1.43330625888 0.783401669156 TCL: atom 1: phi = 0.825831887301 TCL: Center of mass = 21.4248524962 -1.43318087445 0.783690759135 TCL: atom 1: phi = 0.82575585626 TCL: Center of mass = 21.4264893577 -1.43305259772 0.783979656003 TCL: atom 1: phi = 0.825704743999 TCL: Center of mass = 21.4281084703 -1.43291129696 0.784291326105 TCL: atom 1: phi = 0.825663145562 TCL: Center of mass = 21.4296733435 -1.43276151194 0.784574501923 TCL: atom 1: phi = 0.825399033236 TCL: Center of mass = 21.4312248055 -1.43259443909 0.784857608046 TCL: atom 1: phi = 0.825044201905 TCL: Center of mass = 21.4327469289 -1.43242824904 0.785113805828 TCL: atom 1: phi = 0.824371020899 TCL: Center of mass = 21.4342672544 -1.43227344801 0.785369171776 TCL: atom 1: phi = 0.823473775934 TCL: Center of mass = 21.4358070537 -1.43212383377 0.785581200583 TCL: atom 1: phi = 0.822312796785 TCL: Center of mass = 21.4373786758 -1.43196890887 0.785772030087 TCL: atom 1: phi = 0.821064505467 TCL: Center of mass = 21.4389664933 -1.43183230037 0.785917448181 TCL: atom 1: phi = 0.819662310681 TCL: Center of mass = 21.4405913841 -1.43171473274 0.786054057155 TCL: atom 1: phi = 0.818253653387 TCL: Center of mass = 21.4422086023 -1.43158836593 0.786185885027 TCL: atom 1: phi = 0.81669004385 TCL: Center of mass = 21.4437925511 -1.43143434552 0.78632473411 TCL: atom 1: phi = 0.815084568235 TCL: Center of mass = 21.4453467799 -1.43129037521 0.786452087002 TCL: atom 1: phi = 0.813344860084 TCL: Center of mass = 21.4468683369 -1.43114723797 0.786591504526 TCL: atom 1: phi = 0.811547571135 TCL: Center of mass = 21.4483714588 -1.43103909369 0.786720945804 TCL: atom 1: phi = 0.809640412747 TCL: Center of mass = 21.4498896892 -1.43094131026 0.786826345493 TCL: atom 1: phi = 0.807747024059 TCL: Center of mass = 21.4514321659 -1.4308398366 0.7869052499 TCL: atom 1: phi = 0.805848076154 TCL: Center of mass = 21.4530142195 -1.43074929042 0.786963641344 TCL: atom 1: phi = 0.804138711361 TCL: Center of mass = 21.4546186686 -1.43065733559 0.786992232919 TCL: atom 1: phi = 0.802582149824 TCL: Center of mass = 21.4562529926 -1.43056656201 0.787000238006 TCL: atom 1: phi = 0.801406683078 TCL: Center of mass = 21.4578843051 -1.43049652719 0.7869968643 TCL: atom 1: phi = 0.800483160518 TCL: Center of mass = 21.459509471 -1.43041534442 0.787008820097 TCL: atom 1: phi = 0.799956797329 TCL: Center of mass = 21.4611111673 -1.43034453351 0.787022383486 TCL: atom 1: phi = 0.799630092908 TCL: Center of mass = 21.4626586472 -1.43028335775 0.787039448414 TCL: atom 1: phi = 0.799549196467 TCL: Center of mass = 21.4641751271 -1.43023870971 0.787051245611 TCL: atom 1: phi = 0.799577798897 TCL: Center of mass = 21.4656913197 -1.43020651638 0.787054483264 TCL: atom 1: phi = 0.799770619252 TCL: Center of mass = 21.4671943287 -1.43016853204 0.787048674934 TCL: atom 1: phi = 0.800013290326 TCL: Center of mass = 21.4687319838 -1.43011872369 0.787025150496 TCL: atom 1: phi = 0.800450586299 TCL: Center of mass = 21.4703050216 -1.43004262273 0.786981152308 TCL: atom 1: phi = 0.801001941574 TCL: Center of mass = 21.4718967967 -1.4299344602 0.786934649109 TCL: atom 1: phi = 0.801796331109 TCL: Center of mass = 21.4734948985 -1.4298328803 0.786879267866 TCL: atom 1: phi = 0.802646638947 TCL: Center of mass = 21.4750827339 -1.4297421765 0.786808904734 TCL: atom 1: phi = 0.803651707848 TCL: Center of mass = 21.4766246234 -1.42970900368 0.786741433655 TCL: atom 1: phi = 0.804542540384 TCL: Center of mass = 21.4781499399 -1.42973069754 0.786700570371 TCL: atom 1: phi = 0.805446245504 TCL: Center of mass = 21.4796523054 -1.42981783173 0.786668114075 TCL: atom 1: phi = 0.806167144618 TCL: Center of mass = 21.4811579034 -1.42997671112 0.786663910862 TCL: atom 1: phi = 0.806902449723 TCL: Center of mass = 21.4826918794 -1.43018272743 0.786666698991 TCL: atom 1: phi = 0.807449340115 TCL: Center of mass = 21.484251365 -1.43040338881 0.786669737824 TCL: atom 1: phi = 0.807967827151 TCL: Center of mass = 21.485846419 -1.430651494 0.786648458324 TCL: atom 1: phi = 0.808369174386 TCL: Center of mass = 21.4874931099 -1.43087228405 0.78661703097 TCL: atom 1: phi = 0.808851639034 TCL: Center of mass = 21.4891558546 -1.43111095108 0.786579600097 TCL: atom 1: phi = 0.809272696908 TCL: Center of mass = 21.490846703 -1.4313516973 0.786547399655 TCL: atom 1: phi = 0.809729232416 TCL: Center of mass = 21.4925413603 -1.43165505006 0.786511502974 TCL: atom 1: phi = 0.810072812939 TCL: Center of mass = 21.4942469196 -1.43201279541 0.786500679808 TCL: atom 1: phi = 0.810424200391 TCL: Center of mass = 21.4959462562 -1.43244025967 0.786534173195 TCL: atom 1: phi = 0.810590363646 TCL: Center of mass = 21.4976555504 -1.43290688844 0.786601603513 TCL: atom 1: phi = 0.810637981928 TCL: Center of mass = 21.4993631375 -1.43341068544 0.78665871235 TCL: atom 1: phi = 0.810536335044 TCL: Center of mass = 21.5010964135 -1.43389152596 0.786716713219 TCL: atom 1: phi = 0.810434863348 TCL: Center of mass = 21.5028509641 -1.43436514655 0.78674594863 TCL: atom 1: phi = 0.810233722722 WRITING COORDINATES TO DCD FILE AT STEP 15400 WRITING COORDINATES TO RESTART FILE AT STEP 15400 FINISHED WRITING RESTART COORDINATES TIMING: 15400 CPU: 824.233, 0.0540118/step Wall: 983.742, 0.0637688/step, 0.0814823 hours remaining, 13612 kB of memory in use. ENERGY: 15400 3463.8337 2506.4619 397.6345 40.5131 -44972.8328 4186.3818 0.0000 0.0000 9946.1496 -24431.8584 294.8443 -24286.7837 -24279.5600 294.0965 1180.8036 -409.6929 125000.0000 -291.9183 -290.1254 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15400 WRITING VELOCITIES TO RESTART FILE AT STEP 15400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 21.5045978114 -1.43478075807 0.786776965657 TCL: atom 1: phi = 0.810121787968 TCL: Center of mass = 21.5063343745 -1.43516180842 0.786794325545 TCL: atom 1: phi = 0.809985453118 TCL: Center of mass = 21.5080753583 -1.43551609486 0.786806546093 TCL: atom 1: phi = 0.809963271304 TCL: Center of mass = 21.5097974603 -1.43588021406 0.786821237283 TCL: atom 1: phi = 0.809846028715 TCL: Center of mass = 21.5115187175 -1.43627852076 0.786833109546 TCL: atom 1: phi = 0.809769887828 TCL: Center of mass = 21.5132553453 -1.43673055298 0.786852205871 TCL: atom 1: phi = 0.809518909553 TCL: Center of mass = 21.5150088745 -1.43723333876 0.786886605616 TCL: atom 1: phi = 0.809344255151 TCL: Center of mass = 21.516792405 -1.43774970586 0.786935629603 TCL: atom 1: phi = 0.809135612136 TCL: Center of mass = 21.5185854632 -1.43825908309 0.78699458283 TCL: atom 1: phi = 0.809157661921 TCL: Center of mass = 21.5203908109 -1.43873733482 0.787055725171 TCL: atom 1: phi = 0.80922789786 TCL: Center of mass = 21.522202907 -1.43917566113 0.787112937384 TCL: atom 1: phi = 0.809574919141 TCL: Center of mass = 21.5240204244 -1.43955587665 0.787161102862 TCL: atom 1: phi = 0.810064806656 TCL: Center of mass = 21.5258315016 -1.4399158946 0.787207223893 TCL: atom 1: phi = 0.81084476711 TCL: Center of mass = 21.5276421422 -1.44027986148 0.78725189057 TCL: atom 1: phi = 0.811662613203 TCL: Center of mass = 21.5294636277 -1.44065963408 0.78729552665 TCL: atom 1: phi = 0.812666367193 TCL: Center of mass = 21.531301553 -1.44107659573 0.787336574029 TCL: atom 1: phi = 0.813656539774 TCL: Center of mass = 21.5331638293 -1.44154677887 0.78736907455 TCL: atom 1: phi = 0.814788670325 TCL: Center of mass = 21.5350509443 -1.44206808913 0.787420133739 TCL: atom 1: phi = 0.815842778472 TCL: Center of mass = 21.5369606111 -1.44259770049 0.787477425972 TCL: atom 1: phi = 0.816973627331 TCL: Center of mass = 21.5388652254 -1.4430941782 0.787535319801 TCL: atom 1: phi = 0.818034840677 TCL: Center of mass = 21.5407641625 -1.44353595587 0.787598141086 TCL: atom 1: phi = 0.81917903032 TCL: Center of mass = 21.5426336467 -1.44392315806 0.787679739498 TCL: atom 1: phi = 0.820159748552 TCL: Center of mass = 21.5444552082 -1.44427848535 0.7877581978 TCL: atom 1: phi = 0.82116246317 TCL: Center of mass = 21.5462694074 -1.44461667764 0.787837080077 TCL: atom 1: phi = 0.822022605642 TCL: Center of mass = 21.5480577162 -1.44497436415 0.787913716955 TCL: atom 1: phi = 0.822794102946 TCL: Center of mass = 21.5498411728 -1.44534873027 0.788001667465 TCL: atom 1: phi = 0.823313603018 TCL: Center of mass = 21.5516445334 -1.44576230815 0.788079272388 TCL: atom 1: phi = 0.823721154521 TCL: Center of mass = 21.5534667191 -1.44619829864 0.788172347038 TCL: atom 1: phi = 0.823923497598 TCL: Center of mass = 21.5553144594 -1.44664531876 0.788280139726 TCL: atom 1: phi = 0.824106951383 TCL: Center of mass = 21.5571669296 -1.44706995895 0.78839898657 TCL: atom 1: phi = 0.824148402286 TCL: Center of mass = 21.558993695 -1.4474783845 0.788516813998 TCL: atom 1: phi = 0.824319585947 TCL: Center of mass = 21.5607858342 -1.44784564948 0.788616633069 TCL: atom 1: phi = 0.824530070732 TCL: Center of mass = 21.5625321567 -1.44820987167 0.788727015542 TCL: atom 1: phi = 0.824909839502 TCL: Center of mass = 21.5642437659 -1.4485938834 0.788809602943 TCL: atom 1: phi = 0.825302684626 TCL: Center of mass = 21.5659643508 -1.449034318 0.788890063096 TCL: atom 1: phi = 0.825792896987 TCL: Center of mass = 21.5676920735 -1.44950085428 0.788954953321 TCL: atom 1: phi = 0.826254609037 TCL: Center of mass = 21.569449065 -1.45000224352 0.788984682379 TCL: atom 1: phi = 0.826791999748 TCL: Center of mass = 21.5712469335 -1.45051949145 0.78900382057 TCL: atom 1: phi = 0.827345336713 TCL: Center of mass = 21.5731165068 -1.45105003798 0.789016336178 TCL: atom 1: phi = 0.828032220513 TCL: Center of mass = 21.5750203242 -1.45156516634 0.789027797434 TCL: atom 1: phi = 0.828760811788 TCL: Center of mass = 21.5769303354 -1.45209653645 0.789045874916 TCL: atom 1: phi = 0.829635740699 TCL: Center of mass = 21.5788127078 -1.45261826853 0.789074873084 TCL: atom 1: phi = 0.830541239263 TCL: Center of mass = 21.5806704694 -1.4531358363 0.789104624229 TCL: atom 1: phi = 0.831535976012 TCL: Center of mass = 21.5824901602 -1.4536477087 0.789130737043 TCL: atom 1: phi = 0.832443911592 TCL: Center of mass = 21.5842899407 -1.45416626525 0.789163897668 TCL: atom 1: phi = 0.833354989463 TCL: Center of mass = 21.5861055101 -1.45468069559 0.789197056439 TCL: atom 1: phi = 0.834146861122 TCL: Center of mass = 21.5879798888 -1.45516993327 0.789210158958 TCL: atom 1: phi = 0.834878146926 TCL: Center of mass = 21.5899062113 -1.45560902247 0.789197994672 TCL: atom 1: phi = 0.835427107674 TCL: Center of mass = 21.5918961708 -1.4559965904 0.789178651729 TCL: atom 1: phi = 0.835882556659 TCL: Center of mass = 21.5939085709 -1.45633215736 0.789120908029 TCL: atom 1: phi = 0.836196628093 TCL: Center of mass = 21.5959289298 -1.45664049204 0.789056548485 TCL: atom 1: phi = 0.83646445047 TCL: Center of mass = 21.5979370614 -1.45688844392 0.788965789422 TCL: atom 1: phi = 0.836648790325 TCL: Center of mass = 21.5999096399 -1.45713553454 0.788875801551 TCL: atom 1: phi = 0.836864101252 TCL: Center of mass = 21.6018214641 -1.45738785623 0.788765023547 TCL: atom 1: phi = 0.83704918457 TCL: Center of mass = 21.6036863877 -1.45765132219 0.788653122609 TCL: atom 1: phi = 0.837315398825 TCL: Center of mass = 21.6055354337 -1.4579108406 0.788515451475 TCL: atom 1: phi = 0.837531246793 TCL: Center of mass = 21.6073951776 -1.45817654192 0.78836960007 TCL: atom 1: phi = 0.837800957518 TCL: Center of mass = 21.6092582213 -1.45842888349 0.788180704251 TCL: atom 1: phi = 0.838036963513 TCL: Center of mass = 21.6111371928 -1.45865024379 0.787965888663 TCL: atom 1: phi = 0.838299422376 TCL: Center of mass = 21.613007607 -1.45883445424 0.787725793247 TCL: atom 1: phi = 0.838578067999 TCL: Center of mass = 21.6148682332 -1.45903243676 0.78749334485 TCL: atom 1: phi = 0.838887691111 TCL: Center of mass = 21.6166854137 -1.45925668365 0.787241330508 TCL: atom 1: phi = 0.839181945376 TCL: Center of mass = 21.6184526275 -1.45953383353 0.786991808758 TCL: atom 1: phi = 0.839520297786 TCL: Center of mass = 21.6201575768 -1.45984476629 0.786731309583 TCL: atom 1: phi = 0.839815830612 TCL: Center of mass = 21.6218434 -1.46019903419 0.786493614046 TCL: atom 1: phi = 0.840138328827 TCL: Center of mass = 21.6234801137 -1.46055885799 0.786248528845 TCL: atom 1: phi = 0.840361790858 TCL: Center of mass = 21.6251075133 -1.46093528615 0.786014666703 TCL: atom 1: phi = 0.840527595445 TCL: Center of mass = 21.6267074766 -1.46127766029 0.785780163989 TCL: atom 1: phi = 0.840488729413 TCL: Center of mass = 21.6283153801 -1.46156383382 0.785538551486 TCL: atom 1: phi = 0.840404198467 TCL: Center of mass = 21.6298995185 -1.46182037998 0.785253170893 TCL: atom 1: phi = 0.840171448194 TCL: Center of mass = 21.6314790031 -1.4620486602 0.784961399465 TCL: atom 1: phi = 0.839896105265 TCL: Center of mass = 21.6330151323 -1.46227009522 0.784627884549 TCL: atom 1: phi = 0.839573524481 TCL: Center of mass = 21.6345189115 -1.46251316659 0.784279591405 TCL: atom 1: phi = 0.839297643112 TCL: Center of mass = 21.6359443019 -1.46278936671 0.783907132026 TCL: atom 1: phi = 0.839000749313 TCL: Center of mass = 21.637340789 -1.46309281096 0.783539151176 TCL: atom 1: phi = 0.838771972753 TCL: Center of mass = 21.6386750096 -1.46341907963 0.783166366333 TCL: atom 1: phi = 0.838525660133 TCL: Center of mass = 21.6400004597 -1.46374250674 0.782776485182 TCL: atom 1: phi = 0.838356978882 TCL: Center of mass = 21.6412713222 -1.46404787994 0.782353644437 TCL: atom 1: phi = 0.838121002561 TCL: Center of mass = 21.6425400421 -1.46434689097 0.781914713515 TCL: atom 1: phi = 0.837979391584 TCL: Center of mass = 21.6437879058 -1.46458164996 0.781450013026 TCL: atom 1: phi = 0.837891882261 TCL: Center of mass = 21.6450230958 -1.46479356594 0.780960665493 TCL: atom 1: phi = 0.837936604357 TCL: Center of mass = 21.6462374597 -1.46501941807 0.780440701553 TCL: atom 1: phi = 0.837976536291 TCL: Center of mass = 21.6474489571 -1.46530245313 0.779919729234 TCL: atom 1: phi = 0.838141514369 TCL: Center of mass = 21.6486358703 -1.46565295871 0.779392577663 TCL: atom 1: phi = 0.838301223491 TCL: Center of mass = 21.6498350365 -1.46606362202 0.778897342446 TCL: atom 1: phi = 0.838495764169 TCL: Center of mass = 21.6510104372 -1.46651948676 0.778412489716 TCL: atom 1: phi = 0.838594994302 TCL: Center of mass = 21.6522135453 -1.46698085234 0.777953821836 TCL: atom 1: phi = 0.838655443676 TCL: Center of mass = 21.6534050872 -1.46741984434 0.777507154938 TCL: atom 1: phi = 0.838603434874 TCL: Center of mass = 21.654618956 -1.46780957718 0.777068939247 TCL: atom 1: phi = 0.838464252397 TCL: Center of mass = 21.6558230931 -1.46812529626 0.776625889303 TCL: atom 1: phi = 0.838169380994 TCL: Center of mass = 21.6570440872 -1.46840928031 0.776169570468 TCL: atom 1: phi = 0.837797973188 TCL: Center of mass = 21.6582740294 -1.46862501039 0.775699729513 TCL: atom 1: phi = 0.837306195705 TCL: Center of mass = 21.6595298261 -1.4688248977 0.775219790812 TCL: atom 1: phi = 0.836854612097 TCL: Center of mass = 21.6607975695 -1.46901420209 0.77473283757 TCL: atom 1: phi = 0.83638482495 TCL: Center of mass = 21.662131042 -1.46920399967 0.774261511027 TCL: atom 1: phi = 0.835987094556 TCL: Center of mass = 21.6634900869 -1.46936377598 0.773804541916 TCL: atom 1: phi = 0.835525619294 TCL: Center of mass = 21.6648732541 -1.46949555272 0.773354719114 TCL: atom 1: phi = 0.835163900709 TCL: Center of mass = 21.666246698 -1.46957342791 0.772905387455 TCL: atom 1: phi = 0.834887876743 TCL: Center of mass = 21.6676134843 -1.46958162168 0.772473738423 TCL: atom 1: phi = 0.834797384085 TCL: Center of mass = 21.6689204668 -1.46951375607 0.772061102666 TCL: atom 1: phi = 0.834836807713 WRITING COORDINATES TO DCD FILE AT STEP 15500 WRITING COORDINATES TO RESTART FILE AT STEP 15500 FINISHED WRITING RESTART COORDINATES TIMING: 15500 CPU: 829.616, 0.0538318/step Wall: 990.165, 0.0642272/step, 0.080284 hours remaining, 13612 kB of memory in use. ENERGY: 15500 3521.8365 2527.5016 412.7156 43.2485 -44910.1434 4154.4547 0.0000 0.0000 9857.2368 -24393.1497 292.2086 -24248.5017 -24241.8152 293.1496 988.6438 -626.7346 125000.0000 -512.2407 -511.1259 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15500 WRITING VELOCITIES TO RESTART FILE AT STEP 15500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 21.6701678848 -1.46937595216 0.77163612961 TCL: atom 1: phi = 0.83509976631 TCL: Center of mass = 21.6713474505 -1.46919722005 0.771206784502 TCL: atom 1: phi = 0.835523943779 TCL: Center of mass = 21.672479276 -1.46904222357 0.770757020442 TCL: atom 1: phi = 0.836201434718 TCL: Center of mass = 21.6735640817 -1.46892902233 0.770304709461 TCL: atom 1: phi = 0.83701782969 TCL: Center of mass = 21.6746437494 -1.4688794678 0.769885228477 TCL: atom 1: phi = 0.838001682263 TCL: Center of mass = 21.6757360666 -1.46889534099 0.769477052036 TCL: atom 1: phi = 0.83910178498 TCL: Center of mass = 21.6768350658 -1.46894487739 0.769121392459 TCL: atom 1: phi = 0.840345917109 TCL: Center of mass = 21.6779203817 -1.46897964092 0.768813162606 TCL: atom 1: phi = 0.841579935071 TCL: Center of mass = 21.6790028055 -1.46900056889 0.768554747661 TCL: atom 1: phi = 0.842921915798 TCL: Center of mass = 21.680028649 -1.46902726835 0.768348470137 TCL: atom 1: phi = 0.844267124542 TCL: Center of mass = 21.6810127592 -1.46903790009 0.768180996259 TCL: atom 1: phi = 0.845656620125 TCL: Center of mass = 21.6819288462 -1.46906647281 0.768010087036 TCL: atom 1: phi = 0.84692606098 TCL: Center of mass = 21.6828362789 -1.46912854144 0.767851696216 TCL: atom 1: phi = 0.848159397753 TCL: Center of mass = 21.6837360015 -1.46924572901 0.767677745897 TCL: atom 1: phi = 0.849184727049 TCL: Center of mass = 21.6846776101 -1.46941367305 0.767495632475 TCL: atom 1: phi = 0.850137027525 TCL: Center of mass = 21.6856662655 -1.46961707916 0.767332761156 TCL: atom 1: phi = 0.850912661306 TCL: Center of mass = 21.6867491845 -1.46981804841 0.767157226146 TCL: atom 1: phi = 0.851678100599 TCL: Center of mass = 21.68788104 -1.47000275675 0.766973265782 TCL: atom 1: phi = 0.852328496965 TCL: Center of mass = 21.6890472709 -1.47015900725 0.766780495555 TCL: atom 1: phi = 0.852941638286 TCL: Center of mass = 21.6901934835 -1.47027134061 0.766585408046 TCL: atom 1: phi = 0.853470968612 TCL: Center of mass = 21.6913070806 -1.47036235877 0.766363299763 TCL: atom 1: phi = 0.854090020903 TCL: Center of mass = 21.6923627781 -1.47044837418 0.766138390919 TCL: atom 1: phi = 0.854693467298 TCL: Center of mass = 21.6933883788 -1.47055459923 0.765886044174 TCL: atom 1: phi = 0.855429291368 TCL: Center of mass = 21.6943485866 -1.47066367076 0.765622800726 TCL: atom 1: phi = 0.856124894105 TCL: Center of mass = 21.6953123351 -1.4708199126 0.765315627385 TCL: atom 1: phi = 0.856867561738 TCL: Center of mass = 21.6962781926 -1.47099463809 0.764975522448 TCL: atom 1: phi = 0.857518116815 TCL: Center of mass = 21.6972810072 -1.47119462192 0.764596676603 TCL: atom 1: phi = 0.858233229798 TCL: Center of mass = 21.6982937034 -1.47140337509 0.764215020881 TCL: atom 1: phi = 0.858885793435 TCL: Center of mass = 21.6993290819 -1.4716136111 0.763824053407 TCL: atom 1: phi = 0.859597061117 TCL: Center of mass = 21.700373627 -1.47183766301 0.763464225469 TCL: atom 1: phi = 0.860136944315 TCL: Center of mass = 21.7014050801 -1.47208333915 0.763128278382 TCL: atom 1: phi = 0.860682042676 TCL: Center of mass = 21.7023862681 -1.47236537331 0.762823218379 TCL: atom 1: phi = 0.860975616466 TCL: Center of mass = 21.7033370375 -1.47270225912 0.762540498229 TCL: atom 1: phi = 0.861163375494 TCL: Center of mass = 21.7042895209 -1.47306121882 0.762301667662 TCL: atom 1: phi = 0.861029647181 TCL: Center of mass = 21.705281412 -1.47344518594 0.762066413365 TCL: atom 1: phi = 0.860847921456 TCL: Center of mass = 21.7062956158 -1.47384690285 0.761839793592 TCL: atom 1: phi = 0.860490718749 TCL: Center of mass = 21.7073637962 -1.4742475265 0.761604725608 TCL: atom 1: phi = 0.860113958856 TCL: Center of mass = 21.7085023185 -1.47463753898 0.761357960007 TCL: atom 1: phi = 0.85963994489 TCL: Center of mass = 21.7097162783 -1.47502890296 0.761111695488 TCL: atom 1: phi = 0.859272927423 TCL: Center of mass = 21.7109535813 -1.47542642716 0.760862371391 TCL: atom 1: phi = 0.858907005913 TCL: Center of mass = 21.7121995479 -1.47582982372 0.76059539949 TCL: atom 1: phi = 0.858720684712 TCL: Center of mass = 21.7134023247 -1.4762525156 0.760350405067 TCL: atom 1: phi = 0.858557585969 TCL: Center of mass = 21.7145567883 -1.47670043846 0.760114627397 TCL: atom 1: phi = 0.85847240277 TCL: Center of mass = 21.7156642719 -1.47717554478 0.75989376608 TCL: atom 1: phi = 0.858286581359 TCL: Center of mass = 21.7167469795 -1.47766159933 0.759687261578 TCL: atom 1: phi = 0.858144449854 TCL: Center of mass = 21.7177842072 -1.47813153156 0.75947224809 TCL: atom 1: phi = 0.857924558071 TCL: Center of mass = 21.7188413761 -1.47859280602 0.759260586148 TCL: atom 1: phi = 0.857752729777 TCL: Center of mass = 21.719870918 -1.4789998904 0.759019688725 TCL: atom 1: phi = 0.857548484634 TCL: Center of mass = 21.7209040927 -1.47937052569 0.758738638649 TCL: atom 1: phi = 0.857471090899 TCL: Center of mass = 21.7218799693 -1.4797104 0.758447203351 TCL: atom 1: phi = 0.85740942264 TCL: Center of mass = 21.7228349853 -1.48007286496 0.758168418387 TCL: atom 1: phi = 0.857383487164 TCL: Center of mass = 21.7237231523 -1.48047348583 0.757883572066 TCL: atom 1: phi = 0.85725337574 TCL: Center of mass = 21.7245994785 -1.48092442648 0.757620757398 TCL: atom 1: phi = 0.857081708418 TCL: Center of mass = 21.7254494361 -1.48142454284 0.757388776645 TCL: atom 1: phi = 0.856683158557 TCL: Center of mass = 21.7262810171 -1.48194963266 0.757188103918 TCL: atom 1: phi = 0.856207918463 TCL: Center of mass = 21.7270945811 -1.48245275512 0.756994207574 TCL: atom 1: phi = 0.855504125743 TCL: Center of mass = 21.7279163568 -1.48293409518 0.756832499359 TCL: atom 1: phi = 0.85478119487 TCL: Center of mass = 21.7287342237 -1.48336422978 0.756679629506 TCL: atom 1: phi = 0.853941666635 TCL: Center of mass = 21.7295852752 -1.48375471073 0.756527651236 TCL: atom 1: phi = 0.853298354296 TCL: Center of mass = 21.7304333948 -1.48410402584 0.756345331707 TCL: atom 1: phi = 0.85276617199 TCL: Center of mass = 21.7313004055 -1.48446002928 0.756158635204 TCL: atom 1: phi = 0.852459564033 TCL: Center of mass = 21.7321674284 -1.48483798598 0.755950692941 TCL: atom 1: phi = 0.852256700725 TCL: Center of mass = 21.7330436068 -1.48523955178 0.755746454544 TCL: atom 1: phi = 0.852283891312 TCL: Center of mass = 21.7338996927 -1.48566381577 0.755520018589 TCL: atom 1: phi = 0.852362813945 TCL: Center of mass = 21.7347631925 -1.48610578771 0.755305498537 TCL: atom 1: phi = 0.852558974949 TCL: Center of mass = 21.7356230711 -1.48651928442 0.755078187085 TCL: atom 1: phi = 0.852658302947 TCL: Center of mass = 21.7364981807 -1.4868931569 0.754860203736 TCL: atom 1: phi = 0.85285402855 TCL: Center of mass = 21.737362965 -1.48718959232 0.754613936768 TCL: atom 1: phi = 0.853072927552 TCL: Center of mass = 21.7382469458 -1.48741069884 0.754366679873 TCL: atom 1: phi = 0.85349739024 TCL: Center of mass = 21.7391011951 -1.48758337786 0.75410901864 TCL: atom 1: phi = 0.854042703305 TCL: Center of mass = 21.7399391575 -1.48775329733 0.753860292884 TCL: atom 1: phi = 0.85480717532 TCL: Center of mass = 21.7407352964 -1.48795333921 0.753587775003 TCL: atom 1: phi = 0.855612316718 TCL: Center of mass = 21.7415545067 -1.48819693779 0.753296237407 TCL: atom 1: phi = 0.856514228326 TCL: Center of mass = 21.7423607362 -1.48852447629 0.752990532955 TCL: atom 1: phi = 0.857246316372 TCL: Center of mass = 21.7431885663 -1.48890079339 0.752698216414 TCL: atom 1: phi = 0.85788068737 TCL: Center of mass = 21.7440412055 -1.48930418597 0.752399534592 TCL: atom 1: phi = 0.858235154884 TCL: Center of mass = 21.7449537224 -1.48972405878 0.752121531101 TCL: atom 1: phi = 0.858459683338 TCL: Center of mass = 21.7458757026 -1.49013102473 0.751858651879 TCL: atom 1: phi = 0.858459711983 TCL: Center of mass = 21.7468158966 -1.49053960251 0.751622068384 TCL: atom 1: phi = 0.858441770181 TCL: Center of mass = 21.7477427162 -1.49094742533 0.751405857535 TCL: atom 1: phi = 0.858416855883 TCL: Center of mass = 21.7486877144 -1.49137164298 0.751185075584 TCL: atom 1: phi = 0.858538869456 TCL: Center of mass = 21.7496516246 -1.49183244391 0.750958678643 TCL: atom 1: phi = 0.858762746893 TCL: Center of mass = 21.7506456981 -1.49235153851 0.75072748904 TCL: atom 1: phi = 0.85923213897 TCL: Center of mass = 21.7516916942 -1.49293217733 0.750491063413 TCL: atom 1: phi = 0.859756363541 TCL: Center of mass = 21.7528021918 -1.49354685058 0.750275970671 TCL: atom 1: phi = 0.860452916033 TCL: Center of mass = 21.753980556 -1.49415617029 0.750048548109 TCL: atom 1: phi = 0.861091102403 TCL: Center of mass = 21.7552268185 -1.49475472079 0.749807094615 TCL: atom 1: phi = 0.861785900679 TCL: Center of mass = 21.7565047531 -1.49528125487 0.749558901389 TCL: atom 1: phi = 0.862296139816 TCL: Center of mass = 21.757791301 -1.49575372141 0.749319494963 TCL: atom 1: phi = 0.862901760275 TCL: Center of mass = 21.759034031 -1.49615748797 0.749074345027 TCL: atom 1: phi = 0.863494212395 TCL: Center of mass = 21.7602498636 -1.49649219209 0.748820003701 TCL: atom 1: phi = 0.864181472505 TCL: Center of mass = 21.7614370939 -1.49679420641 0.748523249495 TCL: atom 1: phi = 0.864849078758 TCL: Center of mass = 21.7626249656 -1.49706118618 0.748209537144 TCL: atom 1: phi = 0.865576998511 TCL: Center of mass = 21.7638298604 -1.4973188625 0.747865445699 TCL: atom 1: phi = 0.866114024151 TCL: Center of mass = 21.7650572603 -1.49754441002 0.747511204115 TCL: atom 1: phi = 0.866532620893 TCL: Center of mass = 21.7663113373 -1.49772695572 0.747139705983 TCL: atom 1: phi = 0.866613970165 TCL: Center of mass = 21.7675843961 -1.49784978274 0.746778186593 TCL: atom 1: phi = 0.866478732321 TCL: Center of mass = 21.768863476 -1.49792211804 0.746437083412 TCL: atom 1: phi = 0.86598787267 TCL: Center of mass = 21.7701118807 -1.49794515423 0.746133399526 TCL: atom 1: phi = 0.865316703711 TCL: Center of mass = 21.7713469268 -1.49793353776 0.745871811167 TCL: atom 1: phi = 0.86443872141 WRITING COORDINATES TO DCD FILE AT STEP 15600 WRITING COORDINATES TO RESTART FILE AT STEP 15600 FINISHED WRITING RESTART COORDINATES TIMING: 15600 CPU: 835.011, 0.0539518/step Wall: 996.576, 0.0641139/step, 0.0783615 hours remaining, 13612 kB of memory in use. ENERGY: 15600 3519.3206 2475.8905 406.7985 37.6796 -44807.9005 4036.6726 0.0000 0.0000 9933.4430 -24398.0958 294.4677 -24256.0518 -24240.9405 292.7063 953.8610 -734.9173 125000.0000 -510.3250 -517.1768 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15600 WRITING VELOCITIES TO RESTART FILE AT STEP 15600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 21.7725692937 -1.49791257405 0.745643729715 TCL: atom 1: phi = 0.863601794982 TCL: Center of mass = 21.7737659669 -1.49788272093 0.745425633258 TCL: atom 1: phi = 0.862776634292 TCL: Center of mass = 21.7749564991 -1.49786475483 0.745214859165 TCL: atom 1: phi = 0.862122401255 TCL: Center of mass = 21.7761862097 -1.49784724235 0.745005003182 TCL: atom 1: phi = 0.861493642618 TCL: Center of mass = 21.7774598525 -1.49784622367 0.744799641593 TCL: atom 1: phi = 0.860950744208 TCL: Center of mass = 21.7787943723 -1.49784461224 0.744619840811 TCL: atom 1: phi = 0.860312335583 TCL: Center of mass = 21.7801970414 -1.49780899469 0.744438654065 TCL: atom 1: phi = 0.859662797864 TCL: Center of mass = 21.7816452188 -1.49776485368 0.744262036414 TCL: atom 1: phi = 0.858888444876 TCL: Center of mass = 21.7831262482 -1.49772122726 0.744117736643 TCL: atom 1: phi = 0.858180936601 TCL: Center of mass = 21.7846353944 -1.49767280038 0.743976375585 TCL: atom 1: phi = 0.857488697614 TCL: Center of mass = 21.786139966 -1.4976327472 0.743844779702 TCL: atom 1: phi = 0.856997873296 TCL: Center of mass = 21.7876212839 -1.49759180127 0.743736027737 TCL: atom 1: phi = 0.856679403275 TCL: Center of mass = 21.7891073955 -1.49752957383 0.743628209367 TCL: atom 1: phi = 0.856604595146 TCL: Center of mass = 21.7906123564 -1.49746895969 0.74351261848 TCL: atom 1: phi = 0.856651502997 TCL: Center of mass = 21.7921416689 -1.49737937162 0.743369925509 TCL: atom 1: phi = 0.856788504293 TCL: Center of mass = 21.7937038852 -1.49726547673 0.743197091063 TCL: atom 1: phi = 0.856788831845 TCL: Center of mass = 21.7953075727 -1.49714692606 0.743034424481 TCL: atom 1: phi = 0.85667586746 TCL: Center of mass = 21.7969110813 -1.49699828324 0.742862375559 TCL: atom 1: phi = 0.856320262676 TCL: Center of mass = 21.7984935157 -1.49685228391 0.74270435465 TCL: atom 1: phi = 0.855869195232 TCL: Center of mass = 21.8000204583 -1.49673550107 0.742551163955 TCL: atom 1: phi = 0.855271357954 TCL: Center of mass = 21.8015037123 -1.49666690874 0.742451119802 TCL: atom 1: phi = 0.854713613242 TCL: Center of mass = 21.8029334532 -1.49662798946 0.742365151639 TCL: atom 1: phi = 0.85425517443 TCL: Center of mass = 21.8043468002 -1.49663227389 0.742309359359 TCL: atom 1: phi = 0.853968914338 TCL: Center of mass = 21.8057197534 -1.49664849564 0.742258315767 TCL: atom 1: phi = 0.853822320165 TCL: Center of mass = 21.8071213578 -1.49663571706 0.74225283749 TCL: atom 1: phi = 0.853842420672 TCL: Center of mass = 21.8085398041 -1.49659494569 0.742235653631 TCL: atom 1: phi = 0.853930858004 TCL: Center of mass = 21.8100102159 -1.49653027141 0.742217281237 TCL: atom 1: phi = 0.854065097798 TCL: Center of mass = 21.8114991807 -1.49647505069 0.742185413154 TCL: atom 1: phi = 0.854132289458 TCL: Center of mass = 21.8130161255 -1.49642000673 0.742150627313 TCL: atom 1: phi = 0.85425096506 TCL: Center of mass = 21.8145354879 -1.49639930136 0.742121642091 TCL: atom 1: phi = 0.854415018175 TCL: Center of mass = 21.8160874697 -1.49642127405 0.742118497186 TCL: atom 1: phi = 0.85473293816 TCL: Center of mass = 21.8176147742 -1.49648093672 0.7421386907 TCL: atom 1: phi = 0.855157894495 TCL: Center of mass = 21.8191457017 -1.49656424774 0.742216743256 TCL: atom 1: phi = 0.855876798304 TCL: Center of mass = 21.8206475904 -1.49662226495 0.742303162769 TCL: atom 1: phi = 0.856730326885 TCL: Center of mass = 21.8221790146 -1.49661911143 0.74239089457 TCL: atom 1: phi = 0.857771706505 TCL: Center of mass = 21.8237186034 -1.49656591011 0.742454890861 TCL: atom 1: phi = 0.858725386351 TCL: Center of mass = 21.8253176215 -1.49648473886 0.742486522247 TCL: atom 1: phi = 0.85953545519 TCL: Center of mass = 21.8269071718 -1.49636718639 0.74251165823 TCL: atom 1: phi = 0.860010099521 TCL: Center of mass = 21.8285108901 -1.4962559595 0.742546042551 TCL: atom 1: phi = 0.860278345507 TCL: Center of mass = 21.8300753622 -1.49615887034 0.74256165471 TCL: atom 1: phi = 0.86028921991 TCL: Center of mass = 21.8316312498 -1.49610814392 0.742574729227 TCL: atom 1: phi = 0.860190870844 TCL: Center of mass = 21.8331239363 -1.49612756676 0.742583095483 TCL: atom 1: phi = 0.860033825931 TCL: Center of mass = 21.8345854485 -1.49618166239 0.742607472192 TCL: atom 1: phi = 0.860010132489 TCL: Center of mass = 21.8360022958 -1.4962427285 0.74262536039 TCL: atom 1: phi = 0.860016256909 TCL: Center of mass = 21.8374223485 -1.49630995931 0.742681109148 TCL: atom 1: phi = 0.860122351808 TCL: Center of mass = 21.8387939376 -1.49635666265 0.742722006474 TCL: atom 1: phi = 0.86021791604 TCL: Center of mass = 21.8401930607 -1.49639512808 0.742773714556 TCL: atom 1: phi = 0.860324695299 TCL: Center of mass = 21.8416022733 -1.49643486931 0.742788338116 TCL: atom 1: phi = 0.860305439819 TCL: Center of mass = 21.8430217055 -1.49650238688 0.742787641829 TCL: atom 1: phi = 0.860274331548 TCL: Center of mass = 21.8444387124 -1.49661260354 0.742761524226 TCL: atom 1: phi = 0.860158116072 TCL: Center of mass = 21.8458565755 -1.49677884544 0.742717923374 TCL: atom 1: phi = 0.86012793514 TCL: Center of mass = 21.8472574334 -1.49700637248 0.742638000574 TCL: atom 1: phi = 0.860188535127 TCL: Center of mass = 21.8486519524 -1.49727625528 0.742561055641 TCL: atom 1: phi = 0.860497824746 TCL: Center of mass = 21.8500311176 -1.49757160197 0.742479659744 TCL: atom 1: phi = 0.860975949004 TCL: Center of mass = 21.8514159184 -1.4978570039 0.742404491829 TCL: atom 1: phi = 0.861665927387 TCL: Center of mass = 21.8527798525 -1.49811186763 0.742308296634 TCL: atom 1: phi = 0.862422546814 TCL: Center of mass = 21.8541457877 -1.49832708547 0.742203489593 TCL: atom 1: phi = 0.863246721324 TCL: Center of mass = 21.8554653471 -1.49850211264 0.742076917945 TCL: atom 1: phi = 0.863939474118 TCL: Center of mass = 21.8567766491 -1.49865640076 0.741929123567 TCL: atom 1: phi = 0.864495854698 TCL: Center of mass = 21.8580301397 -1.49880420817 0.741738741094 TCL: atom 1: phi = 0.864804139256 TCL: Center of mass = 21.8592814354 -1.49896615655 0.74152426455 TCL: atom 1: phi = 0.865004826133 TCL: Center of mass = 21.8605041798 -1.49914161949 0.741272316696 TCL: atom 1: phi = 0.864968271752 TCL: Center of mass = 21.8617222002 -1.49932367469 0.740994397357 TCL: atom 1: phi = 0.864796157745 TCL: Center of mass = 21.8629154029 -1.49952316321 0.740693060975 TCL: atom 1: phi = 0.86453519279 TCL: Center of mass = 21.8641113812 -1.49971703576 0.740409592339 TCL: atom 1: phi = 0.86424596188 TCL: Center of mass = 21.8652702231 -1.4998728353 0.740130690346 TCL: atom 1: phi = 0.863767800736 TCL: Center of mass = 21.8663932061 -1.50000841802 0.739904765234 TCL: atom 1: phi = 0.863175516909 TCL: Center of mass = 21.8674616308 -1.50012065976 0.739674525941 TCL: atom 1: phi = 0.862351384703 TCL: Center of mass = 21.8685003515 -1.50025222741 0.739473982099 TCL: atom 1: phi = 0.861417637127 TCL: Center of mass = 21.8694869277 -1.50039128213 0.73927061144 TCL: atom 1: phi = 0.860273490887 TCL: Center of mass = 21.8704584731 -1.50056086109 0.739067125212 TCL: atom 1: phi = 0.85912060307 TCL: Center of mass = 21.8714142659 -1.50074632571 0.738853512393 TCL: atom 1: phi = 0.857934979922 TCL: Center of mass = 21.8724059986 -1.50096074151 0.738641651079 TCL: atom 1: phi = 0.856923538697 TCL: Center of mass = 21.873414085 -1.50116068885 0.738437631029 TCL: atom 1: phi = 0.85604775137 TCL: Center of mass = 21.8744786374 -1.50134138691 0.738247796767 TCL: atom 1: phi = 0.855427840646 TCL: Center of mass = 21.8755545847 -1.50148189378 0.738091224637 TCL: atom 1: phi = 0.854899359637 TCL: Center of mass = 21.8766563203 -1.50157842335 0.737965180744 TCL: atom 1: phi = 0.854578016322 TCL: Center of mass = 21.8777390963 -1.50164572 0.737886785342 TCL: atom 1: phi = 0.854235732538 TCL: Center of mass = 21.8788008957 -1.50169232716 0.737856130874 TCL: atom 1: phi = 0.853962528902 TCL: Center of mass = 21.8798245824 -1.50174443772 0.737857598933 TCL: atom 1: phi = 0.853665320863 TCL: Center of mass = 21.880838693 -1.50179954805 0.737872242627 TCL: atom 1: phi = 0.853450004029 TCL: Center of mass = 21.8818284908 -1.5018486368 0.737889287763 TCL: atom 1: phi = 0.853177449561 TCL: Center of mass = 21.882831913 -1.50187843165 0.737895433211 TCL: atom 1: phi = 0.853060731797 TCL: Center of mass = 21.8838578101 -1.50184764988 0.737872652988 TCL: atom 1: phi = 0.85300006511 TCL: Center of mass = 21.8849372217 -1.50178424787 0.737839116217 TCL: atom 1: phi = 0.85316920964 TCL: Center of mass = 21.8860381917 -1.50166577724 0.737809309479 TCL: atom 1: phi = 0.853411150465 TCL: Center of mass = 21.8871593677 -1.50150514908 0.737800183876 TCL: atom 1: phi = 0.853844701057 TCL: Center of mass = 21.8882511933 -1.50130780385 0.737806562625 TCL: atom 1: phi = 0.854298467268 TCL: Center of mass = 21.8893510109 -1.50111462214 0.737843546066 TCL: atom 1: phi = 0.85488487546 TCL: Center of mass = 21.8904084325 -1.50094116308 0.73793263606 TCL: atom 1: phi = 0.855533087065 TCL: Center of mass = 21.8914348252 -1.50079816599 0.738047161037 TCL: atom 1: phi = 0.856354796885 TCL: Center of mass = 21.8924626895 -1.50067426027 0.738179084984 TCL: atom 1: phi = 0.8573080936 TCL: Center of mass = 21.8935218712 -1.50057692969 0.738320521473 TCL: atom 1: phi = 0.858545911356 TCL: Center of mass = 21.8946275721 -1.50047000509 0.73847073266 TCL: atom 1: phi = 0.859949502498 TCL: Center of mass = 21.895804256 -1.50034312909 0.738609669947 TCL: atom 1: phi = 0.861655614463 TCL: Center of mass = 21.8970437829 -1.50018404944 0.73875430577 TCL: atom 1: phi = 0.863466955224 TCL: Center of mass = 21.8983485127 -1.50001107973 0.73892268725 TCL: atom 1: phi = 0.865423401154 TCL: Center of mass = 21.8996750871 -1.49983422936 0.739127731517 TCL: atom 1: phi = 0.867318996528 TCL: Center of mass = 21.901022964 -1.49968757818 0.739373474926 TCL: atom 1: phi = 0.86919521426 TCL: Center of mass = 21.9023712409 -1.49957427014 0.739655424306 TCL: atom 1: phi = 0.870835733169 WRITING COORDINATES TO DCD FILE AT STEP 15700 WRITING COORDINATES TO RESTART FILE AT STEP 15700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15700 FINISHED WRITING RESTART VELOCITIES TIMING: 15700 CPU: 840.398, 0.0538718/step Wall: 1002.98, 0.0640549/step, 0.07651 hours remaining, 13612 kB of memory in use. ENERGY: 15700 3438.8343 2468.0024 417.2945 36.7725 -44826.3457 4097.1091 0.0000 0.0000 9937.1310 -24431.2020 294.5770 -24288.2660 -24277.4245 293.1898 1318.8344 -465.6919 125000.0000 -679.8221 -679.3632 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15700 TCL: Center of mass = 21.9037182369 -1.49950934542 0.739973285807 TCL: atom 1: phi = 0.872342187575 TCL: Center of mass = 21.9050899689 -1.49945006443 0.740303917028 TCL: atom 1: phi = 0.873574868665 TCL: Center of mass = 21.9064881225 -1.49940066105 0.740647157204 TCL: atom 1: phi = 0.87474056198 TCL: Center of mass = 21.9079168988 -1.49931405529 0.740998258211 TCL: atom 1: phi = 0.875677699786 TCL: Center of mass = 21.9093947744 -1.4992042462 0.741338793058 TCL: atom 1: phi = 0.876601433697 TCL: Center of mass = 21.9109166403 -1.49903397859 0.741687365035 TCL: atom 1: phi = 0.877289423732 TCL: Center of mass = 21.9125007629 -1.49883905217 0.742020245779 TCL: atom 1: phi = 0.877891899424 TCL: Center of mass = 21.9141026084 -1.49859281433 0.742333551971 TCL: atom 1: phi = 0.878173246967 TCL: Center of mass = 21.9157388987 -1.49836450827 0.742651257908 TCL: atom 1: phi = 0.878323495677 TCL: Center of mass = 21.9173645875 -1.49814194471 0.742962221433 TCL: atom 1: phi = 0.87815572584 TCL: Center of mass = 21.9189959739 -1.49793460277 0.74327694299 TCL: atom 1: phi = 0.877945973113 TCL: Center of mass = 21.9206000439 -1.49769967537 0.743595520845 TCL: atom 1: phi = 0.877508204783 TCL: Center of mass = 21.9222270853 -1.49741871683 0.743927732053 TCL: atom 1: phi = 0.877155572328 TCL: Center of mass = 21.9238745215 -1.49708898322 0.744245379719 TCL: atom 1: phi = 0.876720169646 TCL: Center of mass = 21.9255769743 -1.49673220057 0.744559143461 TCL: atom 1: phi = 0.876508129479 TCL: Center of mass = 21.9273039861 -1.496333437 0.744835413048 TCL: atom 1: phi = 0.876280600892 TCL: Center of mass = 21.9290515461 -1.49591735568 0.745098490774 TCL: atom 1: phi = 0.876275341433 TCL: Center of mass = 21.9307696793 -1.49550681858 0.745348987717 TCL: atom 1: phi = 0.876187590438 TCL: Center of mass = 21.932476745 -1.49513279001 0.745594641547 TCL: atom 1: phi = 0.87617143455 TCL: Center of mass = 21.9341849191 -1.49478577093 0.745840105473 TCL: atom 1: phi = 0.875850489197 TCL: Center of mass = 21.9358681771 -1.49446801769 0.746091680128 TCL: atom 1: phi = 0.875541903658 TCL: Center of mass = 21.9375392207 -1.49416761307 0.746352388498 TCL: atom 1: phi = 0.874942353935 TCL: Center of mass = 21.9392400979 -1.49385353881 0.746628487589 TCL: atom 1: phi = 0.874388668095 TCL: Center of mass = 21.9409375156 -1.49349645812 0.746900822445 TCL: atom 1: phi = 0.87362736865 TCL: Center of mass = 21.9426559934 -1.49308801177 0.747171054872 TCL: atom 1: phi = 0.872973253813 TCL: Center of mass = 21.9443671853 -1.49264139388 0.747440364511 TCL: atom 1: phi = 0.872092115877 TCL: Center of mass = 21.9460994299 -1.49218463394 0.747702925284 TCL: atom 1: phi = 0.871175413415 TCL: Center of mass = 21.9478334745 -1.49174430515 0.747921431365 TCL: atom 1: phi = 0.869961294018 TCL: Center of mass = 21.9495714415 -1.49134504502 0.748099307356 TCL: atom 1: phi = 0.86868101425 TCL: Center of mass = 21.9512901732 -1.49101801348 0.74827099067 TCL: atom 1: phi = 0.867163657134 TCL: Center of mass = 21.9530355858 -1.49075453785 0.748431433473 TCL: atom 1: phi = 0.865659562933 TCL: Center of mass = 21.9547865893 -1.49055292703 0.748592723626 TCL: atom 1: phi = 0.863976742993 TCL: Center of mass = 21.9565507523 -1.49036546637 0.748783623225 TCL: atom 1: phi = 0.862386002711 TCL: Center of mass = 21.9583399586 -1.49017629602 0.749008257469 TCL: atom 1: phi = 0.860809391984 TCL: Center of mass = 21.9601588125 -1.48994659401 0.749258073493 TCL: atom 1: phi = 0.85955926154 TCL: Center of mass = 21.9619733953 -1.48968255237 0.749546138581 TCL: atom 1: phi = 0.858385855508 TCL: Center of mass = 21.9637873788 -1.48941266743 0.749866507803 TCL: atom 1: phi = 0.857500758844 TCL: Center of mass = 21.965574866 -1.48916540118 0.750200211916 TCL: atom 1: phi = 0.856721827316 TCL: Center of mass = 21.9673452818 -1.48896268158 0.750574718704 TCL: atom 1: phi = 0.856134922673 TCL: Center of mass = 21.9690720248 -1.48881533421 0.750963545261 TCL: atom 1: phi = 0.855541448059 TCL: Center of mass = 21.9707849795 -1.48872521137 0.751369478997 TCL: atom 1: phi = 0.855003220171 TCL: Center of mass = 21.9724913656 -1.48866792037 0.75181641363 TCL: atom 1: phi = 0.854422521123 TCL: Center of mass = 21.9742189925 -1.48860035776 0.752302615014 TCL: atom 1: phi = 0.853892770588 TCL: Center of mass = 21.9759549882 -1.48849552747 0.752835813789 TCL: atom 1: phi = 0.853345310755 TCL: Center of mass = 21.9777162319 -1.48837346056 0.753437553252 TCL: atom 1: phi = 0.852920760601 TCL: Center of mass = 21.9794637453 -1.4882125184 0.754080249721 TCL: atom 1: phi = 0.852493683885 TCL: Center of mass = 21.9812223837 -1.48804003467 0.754734104153 TCL: atom 1: phi = 0.852203744154 TCL: Center of mass = 21.9829510386 -1.48784950302 0.755389297544 TCL: atom 1: phi = 0.851883704587 TCL: Center of mass = 21.9846882126 -1.48767286738 0.756022561575 TCL: atom 1: phi = 0.851667849163 TCL: Center of mass = 21.9864025294 -1.48751984868 0.756612559479 TCL: atom 1: phi = 0.851381555482 TCL: Center of mass = 21.9881209023 -1.48738910889 0.75717552876 TCL: atom 1: phi = 0.851243898072 TCL: Center of mass = 21.9898501433 -1.48726690068 0.757732623429 TCL: atom 1: phi = 0.851143604268 TCL: Center of mass = 21.991618522 -1.48712033202 0.758272363801 TCL: atom 1: phi = 0.851218048059 TCL: Center of mass = 21.9934056938 -1.48693167967 0.758788174842 TCL: atom 1: phi = 0.851424599598 TCL: Center of mass = 21.9952372995 -1.48670644813 0.759288750257 TCL: atom 1: phi = 0.851916130871 TCL: Center of mass = 21.9970637243 -1.48642002759 0.759799283248 TCL: atom 1: phi = 0.852629330287 TCL: Center of mass = 21.9988977247 -1.48613561414 0.760306034534 TCL: atom 1: phi = 0.85365604925 TCL: Center of mass = 22.0007066727 -1.4858337243 0.760797767863 TCL: atom 1: phi = 0.85484516928 TCL: Center of mass = 22.0025120027 -1.48555447101 0.761298579194 TCL: atom 1: phi = 0.856296228569 TCL: Center of mass = 22.0042805149 -1.48528785694 0.761772370928 TCL: atom 1: phi = 0.857797617664 TCL: Center of mass = 22.006022904 -1.48505104126 0.762240563287 TCL: atom 1: phi = 0.85938515999 TCL: Center of mass = 22.007752625 -1.48481705056 0.762689300455 TCL: atom 1: phi = 0.860888280865 TCL: Center of mass = 22.0094843325 -1.48458871275 0.763149038621 TCL: atom 1: phi = 0.862406836719 TCL: Center of mass = 22.0112008633 -1.48431766138 0.763623230721 TCL: atom 1: phi = 0.863828660048 TCL: Center of mass = 22.0129142891 -1.48404681273 0.764146070274 TCL: atom 1: phi = 0.865271062412 TCL: Center of mass = 22.014623487 -1.48374944926 0.764719780936 TCL: atom 1: phi = 0.866560745567 TCL: Center of mass = 22.0163195039 -1.4834848327 0.765347843125 TCL: atom 1: phi = 0.867798918621 TCL: Center of mass = 22.0179818907 -1.48323728747 0.766008067278 TCL: atom 1: phi = 0.868817150723 TCL: Center of mass = 22.0196130105 -1.48304789274 0.766705490781 TCL: atom 1: phi = 0.869753606478 TCL: Center of mass = 22.0212313687 -1.48290858851 0.767394070174 TCL: atom 1: phi = 0.870401439641 TCL: Center of mass = 22.0228203995 -1.48280179145 0.768081464881 TCL: atom 1: phi = 0.870917386708 TCL: Center of mass = 22.0243988795 -1.48270405819 0.768723407245 TCL: atom 1: phi = 0.871133208496 TCL: Center of mass = 22.0259775637 -1.48262999012 0.769356073076 TCL: atom 1: phi = 0.871260940894 TCL: Center of mass = 22.0275581545 -1.48254412389 0.769974384277 TCL: atom 1: phi = 0.871131977231 TCL: Center of mass = 22.0291683604 -1.48246239166 0.770600460174 TCL: atom 1: phi = 0.871020374309 TCL: Center of mass = 22.0307609073 -1.48235005205 0.771226995934 TCL: atom 1: phi = 0.870812639982 TCL: Center of mass = 22.032357171 -1.48225435921 0.771831582951 TCL: atom 1: phi = 0.870822720662 TCL: Center of mass = 22.0339360538 -1.48215593245 0.772413596803 TCL: atom 1: phi = 0.870856294838 TCL: Center of mass = 22.0355217988 -1.48209440533 0.772975037006 TCL: atom 1: phi = 0.871030746012 TCL: Center of mass = 22.0370830845 -1.48203729372 0.773483526014 TCL: atom 1: phi = 0.871135139926 TCL: Center of mass = 22.0386610934 -1.48199681494 0.773941179752 TCL: atom 1: phi = 0.87126600497 TCL: Center of mass = 22.0402390898 -1.48196141907 0.774357996928 TCL: atom 1: phi = 0.871234138914 TCL: Center of mass = 22.0418518866 -1.4819342143 0.774706005581 TCL: atom 1: phi = 0.871153978042 TCL: Center of mass = 22.0434716754 -1.48188222053 0.775014225164 TCL: atom 1: phi = 0.870879948152 TCL: Center of mass = 22.0451257394 -1.48183824087 0.775317873419 TCL: atom 1: phi = 0.870610843646 TCL: Center of mass = 22.046755024 -1.48178714087 0.775609125821 TCL: atom 1: phi = 0.870196242139 TCL: Center of mass = 22.0483837565 -1.48176976849 0.775933301144 TCL: atom 1: phi = 0.869817818252 TCL: Center of mass = 22.0499900514 -1.48178010089 0.776284091818 TCL: atom 1: phi = 0.869356948164 TCL: Center of mass = 22.0516001725 -1.48182567742 0.776683790186 TCL: atom 1: phi = 0.868996314186 TCL: Center of mass = 22.0531872887 -1.48188228586 0.777127877133 TCL: atom 1: phi = 0.868562207198 TCL: Center of mass = 22.0547625881 -1.48194288933 0.777612526007 TCL: atom 1: phi = 0.868203439696 TCL: Center of mass = 22.0563280494 -1.48199498924 0.778111418654 TCL: atom 1: phi = 0.867677867316 TCL: Center of mass = 22.0579103273 -1.48203641678 0.77864056983 TCL: atom 1: phi = 0.86715441416 TCL: Center of mass = 22.0594893585 -1.48205005943 0.779191199035 TCL: atom 1: phi = 0.866447436821 TCL: Center of mass = 22.0610781292 -1.48205689594 0.779769029141 TCL: atom 1: phi = 0.865719072783 TCL: Center of mass = 22.0626872821 -1.4820428225 0.780362665415 TCL: atom 1: phi = 0.864916660581 TCL: Center of mass = 22.0643071527 -1.48206406102 0.780994908531 TCL: atom 1: phi = 0.864237474918 TCL: Center of mass = 22.0659221681 -1.48210966399 0.781631838688 TCL: atom 1: phi = 0.863589919436 TCL: Center of mass = 22.0675372721 -1.48218596083 0.782307169255 TCL: atom 1: phi = 0.863144581168 TCL: Center of mass = 22.0691405588 -1.4822704013 0.782987347921 TCL: atom 1: phi = 0.862692111711 WRITING COORDINATES TO DCD FILE AT STEP 15800 WRITING COORDINATES TO RESTART FILE AT STEP 15800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15800 FINISHED WRITING RESTART VELOCITIES TIMING: 15800 CPU: 845.793, 0.0539518/step Wall: 1009.36, 0.0638141/step, 0.0744498 hours remaining, 13612 kB of memory in use. ENERGY: 15800 3504.2115 2507.0519 402.1669 35.7390 -44798.2554 4073.4457 0.0000 0.0000 9851.8662 -24423.7743 292.0494 -24280.0363 -24271.4709 293.9272 1300.7776 -536.9670 125000.0000 -503.2640 -505.0860 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15800 TCL: Center of mass = 22.0707598669 -1.48236686626 0.783684177595 TCL: atom 1: phi = 0.862323944236 TCL: Center of mass = 22.072390737 -1.48244005106 0.784361837454 TCL: atom 1: phi = 0.861796048858 TCL: Center of mass = 22.0740549992 -1.4824590575 0.785056749594 TCL: atom 1: phi = 0.861217100483 TCL: Center of mass = 22.0757286966 -1.48241509821 0.785721262881 TCL: atom 1: phi = 0.860461830804 TCL: Center of mass = 22.0774609438 -1.48229313429 0.786346821926 TCL: atom 1: phi = 0.859712076881 TCL: Center of mass = 22.0792080303 -1.48211346924 0.786953551122 TCL: atom 1: phi = 0.858881877256 TCL: Center of mass = 22.0809831553 -1.48192323121 0.787522117134 TCL: atom 1: phi = 0.858142646264 TCL: Center of mass = 22.082749697 -1.48171693209 0.78803240814 TCL: atom 1: phi = 0.857371855693 TCL: Center of mass = 22.0845364012 -1.48153515896 0.788526477704 TCL: atom 1: phi = 0.856763595356 TCL: Center of mass = 22.0863043433 -1.48137008671 0.789010721144 TCL: atom 1: phi = 0.856181700563 TCL: Center of mass = 22.0880954349 -1.48122680222 0.789492408417 TCL: atom 1: phi = 0.855728032757 TCL: Center of mass = 22.0898881589 -1.48105453206 0.789970455679 TCL: atom 1: phi = 0.855212420931 TCL: Center of mass = 22.0917069856 -1.4808555129 0.790453345005 TCL: atom 1: phi = 0.854720535235 TCL: Center of mass = 22.0935289126 -1.48060820739 0.790931733623 TCL: atom 1: phi = 0.854089931133 TCL: Center of mass = 22.0953755263 -1.48034162966 0.791432147161 TCL: atom 1: phi = 0.853446996575 TCL: Center of mass = 22.0972012327 -1.48004319171 0.791919959963 TCL: atom 1: phi = 0.852681001533 TCL: Center of mass = 22.0990191123 -1.47977604913 0.792415823335 TCL: atom 1: phi = 0.852023656352 TCL: Center of mass = 22.1007945483 -1.47953570005 0.792890933888 TCL: atom 1: phi = 0.851375705536 TCL: Center of mass = 22.1025589582 -1.47936395557 0.793361585991 TCL: atom 1: phi = 0.850994362894 TCL: Center of mass = 22.1042747099 -1.47922180989 0.793819416407 TCL: atom 1: phi = 0.850775723272 TCL: Center of mass = 22.1059773124 -1.47908854789 0.794280522014 TCL: atom 1: phi = 0.850844028918 TCL: Center of mass = 22.1076886634 -1.47892121635 0.794739575547 TCL: atom 1: phi = 0.85105979443 TCL: Center of mass = 22.1094129885 -1.47873799357 0.795225981553 TCL: atom 1: phi = 0.851442656653 TCL: Center of mass = 22.1111279623 -1.47847457602 0.795742007017 TCL: atom 1: phi = 0.851813240737 TCL: Center of mass = 22.1128534837 -1.47819119438 0.796284373184 TCL: atom 1: phi = 0.85223473818 TCL: Center of mass = 22.114569519 -1.47785610658 0.796819517795 TCL: atom 1: phi = 0.85268008935 TCL: Center of mass = 22.1162960326 -1.4774975689 0.797339956705 TCL: atom 1: phi = 0.853259824472 TCL: Center of mass = 22.1180186566 -1.47714376173 0.797824772283 TCL: atom 1: phi = 0.853948005323 TCL: Center of mass = 22.1197558189 -1.47681423436 0.798295939662 TCL: atom 1: phi = 0.854841768256 TCL: Center of mass = 22.1214571745 -1.47650213472 0.798736923847 TCL: atom 1: phi = 0.855844073755 TCL: Center of mass = 22.1231673907 -1.47621043904 0.799186577478 TCL: atom 1: phi = 0.856966526072 TCL: Center of mass = 22.1248665276 -1.47588810237 0.799643501443 TCL: atom 1: phi = 0.858012472233 TCL: Center of mass = 22.126592249 -1.47554759613 0.80013974784 TCL: atom 1: phi = 0.85898774502 TCL: Center of mass = 22.1283063898 -1.47518038373 0.800652658635 TCL: atom 1: phi = 0.859754501446 TCL: Center of mass = 22.1300419479 -1.47481280763 0.801195147937 TCL: atom 1: phi = 0.86041433342 TCL: Center of mass = 22.1317750995 -1.47442523458 0.801758803991 TCL: atom 1: phi = 0.860840750228 TCL: Center of mass = 22.1335096415 -1.47405218981 0.802338239238 TCL: atom 1: phi = 0.861155870391 TCL: Center of mass = 22.1352401265 -1.47369161004 0.802885699282 TCL: atom 1: phi = 0.861406896793 TCL: Center of mass = 22.1369732099 -1.47335608866 0.803414897631 TCL: atom 1: phi = 0.861757031776 TCL: Center of mass = 22.1386920156 -1.47304015483 0.803883237055 TCL: atom 1: phi = 0.862159989065 TCL: Center of mass = 22.1404413111 -1.47272935086 0.80433591738 TCL: atom 1: phi = 0.862711278282 TCL: Center of mass = 22.1421970192 -1.47241287412 0.804748168908 TCL: atom 1: phi = 0.863213256642 TCL: Center of mass = 22.1439840426 -1.47210082103 0.805142392122 TCL: atom 1: phi = 0.863696060329 TCL: Center of mass = 22.1457834115 -1.4717802072 0.805528359269 TCL: atom 1: phi = 0.863953890064 TCL: Center of mass = 22.1476289014 -1.47145767492 0.8059296453 TCL: atom 1: phi = 0.864029153002 TCL: Center of mass = 22.1494738767 -1.47114938769 0.806345332468 TCL: atom 1: phi = 0.863826485573 TCL: Center of mass = 22.1513617468 -1.47082186441 0.806763244267 TCL: atom 1: phi = 0.863511755732 TCL: Center of mass = 22.1532742606 -1.47049500874 0.807142808203 TCL: atom 1: phi = 0.863067971257 TCL: Center of mass = 22.1552432658 -1.47016274053 0.807505578039 TCL: atom 1: phi = 0.862715297134 TCL: Center of mass = 22.1572118118 -1.46982602415 0.80782514834 TCL: atom 1: phi = 0.862398094323 TCL: Center of mass = 22.1592156715 -1.46946418914 0.808121098258 TCL: atom 1: phi = 0.862277809242 TCL: Center of mass = 22.1611982938 -1.46907084043 0.808373756557 TCL: atom 1: phi = 0.862246050661 TCL: Center of mass = 22.1632055347 -1.4686485734 0.808649316395 TCL: atom 1: phi = 0.862333693796 TCL: Center of mass = 22.1651770365 -1.46821300332 0.808914352613 TCL: atom 1: phi = 0.862405193809 TCL: Center of mass = 22.167129883 -1.46776424729 0.809196423554 TCL: atom 1: phi = 0.86244541381 TCL: Center of mass = 22.1690303889 -1.46731632597 0.809521200563 TCL: atom 1: phi = 0.862307841117 TCL: Center of mass = 22.1709124746 -1.4668900062 0.809882441335 TCL: atom 1: phi = 0.862121798817 TCL: Center of mass = 22.1727329238 -1.46649080095 0.810261566941 TCL: atom 1: phi = 0.861854589369 TCL: Center of mass = 22.1745386195 -1.46609097579 0.81066472505 TCL: atom 1: phi = 0.861687410486 TCL: Center of mass = 22.1762956802 -1.4656981929 0.811036386674 TCL: atom 1: phi = 0.861583804362 TCL: Center of mass = 22.1780576937 -1.46527918125 0.811417809268 TCL: atom 1: phi = 0.861626431605 TCL: Center of mass = 22.1797858812 -1.46485323188 0.811767362821 TCL: atom 1: phi = 0.861720792923 TCL: Center of mass = 22.1815231174 -1.46443515675 0.812097989775 TCL: atom 1: phi = 0.861926672825 TCL: Center of mass = 22.1832139848 -1.46401611678 0.812369522007 TCL: atom 1: phi = 0.86203840768 TCL: Center of mass = 22.1848890942 -1.46361752377 0.812636064864 TCL: atom 1: phi = 0.862170838619 TCL: Center of mass = 22.1865097566 -1.46325296351 0.812890330389 TCL: atom 1: phi = 0.862123494647 TCL: Center of mass = 22.1881204526 -1.46295245189 0.813155698788 TCL: atom 1: phi = 0.862049028082 TCL: Center of mass = 22.1896934751 -1.4627263604 0.813399607675 TCL: atom 1: phi = 0.861840842111 TCL: Center of mass = 22.1912939989 -1.46254169468 0.813637270539 TCL: atom 1: phi = 0.861705429021 TCL: Center of mass = 22.1928920329 -1.46238549199 0.813847947669 TCL: atom 1: phi = 0.861532295239 TCL: Center of mass = 22.1945302124 -1.46222556226 0.814046407027 TCL: atom 1: phi = 0.861524045223 TCL: Center of mass = 22.196179522 -1.46205038253 0.814207378237 TCL: atom 1: phi = 0.861507704118 TCL: Center of mass = 22.197863112 -1.46185329427 0.814344255186 TCL: atom 1: phi = 0.861605392043 TCL: Center of mass = 22.199547228 -1.46166431966 0.814433823675 TCL: atom 1: phi = 0.861448377261 TCL: Center of mass = 22.2012325968 -1.46149955947 0.814501874079 TCL: atom 1: phi = 0.861164067806 TCL: Center of mass = 22.202894745 -1.4613738965 0.814545653148 TCL: atom 1: phi = 0.860457198767 TCL: Center of mass = 22.2045401876 -1.46130667125 0.814599866226 TCL: atom 1: phi = 0.859544993453 TCL: Center of mass = 22.2061453806 -1.46127511922 0.814653860538 TCL: atom 1: phi = 0.8582615229 TCL: Center of mass = 22.2077588306 -1.46125857296 0.814740337063 TCL: atom 1: phi = 0.856922007635 TCL: Center of mass = 22.2093342137 -1.46124142469 0.814822809801 TCL: atom 1: phi = 0.855437191831 TCL: Center of mass = 22.2109020867 -1.46119819176 0.814933274881 TCL: atom 1: phi = 0.854212375401 TCL: Center of mass = 22.2124281625 -1.46110705031 0.815059449622 TCL: atom 1: phi = 0.853081874931 TCL: Center of mass = 22.2139634366 -1.46097289726 0.815206807179 TCL: atom 1: phi = 0.852287430599 TCL: Center of mass = 22.2154400022 -1.46079069853 0.815369323146 TCL: atom 1: phi = 0.851534060137 TCL: Center of mass = 22.2168962976 -1.46061187665 0.815544383707 TCL: atom 1: phi = 0.850965213783 TCL: Center of mass = 22.2182653251 -1.46044509086 0.815723028658 TCL: atom 1: phi = 0.850290115026 TCL: Center of mass = 22.2196027146 -1.46029768168 0.815920035601 TCL: atom 1: phi = 0.849745176735 TCL: Center of mass = 22.2208908765 -1.46018701835 0.816100208663 TCL: atom 1: phi = 0.849037705208 TCL: Center of mass = 22.2221710129 -1.46010644787 0.816288059826 TCL: atom 1: phi = 0.84855225277 TCL: Center of mass = 22.2234375948 -1.46001223572 0.816473231973 TCL: atom 1: phi = 0.848023000868 TCL: Center of mass = 22.2247443621 -1.45990980489 0.816678118652 TCL: atom 1: phi = 0.847760926171 TCL: Center of mass = 22.226051175 -1.45977266204 0.816902698889 TCL: atom 1: phi = 0.847510606033 TCL: Center of mass = 22.227387659 -1.45960346585 0.817144069294 TCL: atom 1: phi = 0.847460529251 TCL: Center of mass = 22.2287224259 -1.45936931641 0.817405436954 TCL: atom 1: phi = 0.847280687635 TCL: Center of mass = 22.2300674891 -1.45913669828 0.817696374268 TCL: atom 1: phi = 0.847131757307 TCL: Center of mass = 22.2313872384 -1.45890928495 0.817972691857 TCL: atom 1: phi = 0.846669872073 TCL: Center of mass = 22.2327220536 -1.45874324293 0.81825982686 TCL: atom 1: phi = 0.846143588654 TCL: Center of mass = 22.2340514429 -1.45861594604 0.818551142862 TCL: atom 1: phi = 0.845331785099 TCL: Center of mass = 22.2353793276 -1.45854687758 0.818843238642 TCL: atom 1: phi = 0.844571108749 TCL: Center of mass = 22.2367009705 -1.45850861852 0.819154531232 TCL: atom 1: phi = 0.84369581198 WRITING COORDINATES TO DCD FILE AT STEP 15900 WRITING COORDINATES TO RESTART FILE AT STEP 15900 FINISHED WRITING RESTART COORDINATES TIMING: 15900 CPU: 851.208, 0.0541418/step Wall: 1015.75, 0.0638193/step, 0.0726831 hours remaining, 13612 kB of memory in use. ENERGY: 15900 3515.1259 2449.1795 415.8249 42.0775 -44907.5236 4234.3690 0.0000 0.0000 9865.5668 -24385.3801 292.4555 -24242.1869 -24231.4718 293.5304 982.7458 -622.6473 125000.0000 -649.9614 -645.1934 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15900 WRITING VELOCITIES TO RESTART FILE AT STEP 15900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 22.2380540668 -1.4584657764 0.81949534689 TCL: atom 1: phi = 0.843057330555 TCL: Center of mass = 22.2394298284 -1.4584051414 0.819866594236 TCL: atom 1: phi = 0.842434842926 TCL: Center of mass = 22.2408335101 -1.45833060311 0.820292371774 TCL: atom 1: phi = 0.842082446894 TCL: Center of mass = 22.2422391387 -1.45824523235 0.820757933968 TCL: atom 1: phi = 0.841687368414 TCL: Center of mass = 22.243639055 -1.45817609885 0.821270883428 TCL: atom 1: phi = 0.841399127598 TCL: Center of mass = 22.2449881218 -1.45811800103 0.821784641887 TCL: atom 1: phi = 0.840863205574 TCL: Center of mass = 22.2463378032 -1.45809209026 0.822282575722 TCL: atom 1: phi = 0.840292660517 TCL: Center of mass = 22.2476058751 -1.4581121651 0.822760335709 TCL: atom 1: phi = 0.839358648323 TCL: Center of mass = 22.2488762574 -1.45816846829 0.823229532654 TCL: atom 1: phi = 0.8384229038 TCL: Center of mass = 22.2501115704 -1.45825400756 0.823697921463 TCL: atom 1: phi = 0.837370540756 TCL: Center of mass = 22.2513651768 -1.45834236303 0.824163019418 TCL: atom 1: phi = 0.83654496466 TCL: Center of mass = 22.2526255114 -1.45845109567 0.824627126313 TCL: atom 1: phi = 0.835721009324 TCL: Center of mass = 22.2539042219 -1.45856172193 0.82508315864 TCL: atom 1: phi = 0.835181581651 TCL: Center of mass = 22.2551554188 -1.45866929918 0.825518431753 TCL: atom 1: phi = 0.834567085959 TCL: Center of mass = 22.2564137827 -1.45878847215 0.825951344202 TCL: atom 1: phi = 0.834045831815 TCL: Center of mass = 22.2576348035 -1.45895943339 0.826351218206 TCL: atom 1: phi = 0.83328142892 TCL: Center of mass = 22.2588502671 -1.4591524755 0.826705558734 TCL: atom 1: phi = 0.832533696363 TCL: Center of mass = 22.2600254767 -1.45937516866 0.827012378038 TCL: atom 1: phi = 0.831528139889 TCL: Center of mass = 22.261212758 -1.45963311124 0.827305424253 TCL: atom 1: phi = 0.83054312774 TCL: Center of mass = 22.2623921667 -1.45993014715 0.827568985779 TCL: atom 1: phi = 0.82948911952 TCL: Center of mass = 22.2636237265 -1.46024177872 0.82785298329 TCL: atom 1: phi = 0.828715965393 TCL: Center of mass = 22.2648466497 -1.46055090185 0.828150789051 TCL: atom 1: phi = 0.828034749554 TCL: Center of mass = 22.2660829232 -1.46086243711 0.828497206769 TCL: atom 1: phi = 0.827637112624 TCL: Center of mass = 22.2673158528 -1.4611910494 0.828877353566 TCL: atom 1: phi = 0.827278126293 TCL: Center of mass = 22.2685656733 -1.46153589863 0.829318374637 TCL: atom 1: phi = 0.827162219925 TCL: Center of mass = 22.2697752569 -1.46190631116 0.829797446624 TCL: atom 1: phi = 0.827047749293 TCL: Center of mass = 22.2709801371 -1.46230033806 0.830313262849 TCL: atom 1: phi = 0.827046452301 TCL: Center of mass = 22.2721500081 -1.46273442755 0.830827498428 TCL: atom 1: phi = 0.826993009329 TCL: Center of mass = 22.2733173774 -1.46320218422 0.831376821654 TCL: atom 1: phi = 0.827063706317 TCL: Center of mass = 22.27445405 -1.4636751586 0.831932134651 TCL: atom 1: phi = 0.827150760746 TCL: Center of mass = 22.2756146127 -1.4641554197 0.832532019639 TCL: atom 1: phi = 0.827536611608 TCL: Center of mass = 22.2767693018 -1.46462775103 0.833125110145 TCL: atom 1: phi = 0.828013170551 TCL: Center of mass = 22.2779407576 -1.46510574108 0.83374107039 TCL: atom 1: phi = 0.828756369377 TCL: Center of mass = 22.2791079622 -1.46559070744 0.834362856511 TCL: atom 1: phi = 0.829470869106 TCL: Center of mass = 22.2803005711 -1.46610511886 0.835039199874 TCL: atom 1: phi = 0.830242044498 TCL: Center of mass = 22.2814797334 -1.46663079574 0.835715471367 TCL: atom 1: phi = 0.830853583017 TCL: Center of mass = 22.2826685275 -1.4671852923 0.836412322139 TCL: atom 1: phi = 0.831348190599 TCL: Center of mass = 22.2838331942 -1.46774625423 0.837095108743 TCL: atom 1: phi = 0.831526814024 TCL: Center of mass = 22.2849797268 -1.46829138033 0.83778837887 TCL: atom 1: phi = 0.831578264794 TCL: Center of mass = 22.2861042725 -1.46880434578 0.838440660748 TCL: atom 1: phi = 0.831401789354 TCL: Center of mass = 22.2872295614 -1.4692741632 0.839064764635 TCL: atom 1: phi = 0.831291467971 TCL: Center of mass = 22.2883494118 -1.46968660314 0.839657795843 TCL: atom 1: phi = 0.831162523483 TCL: Center of mass = 22.2895014969 -1.47008139165 0.840245152267 TCL: atom 1: phi = 0.831237129034 TCL: Center of mass = 22.2906358036 -1.47049076399 0.840791685273 TCL: atom 1: phi = 0.831300912176 TCL: Center of mass = 22.291779207 -1.47092755504 0.841315225938 TCL: atom 1: phi = 0.831555265598 TCL: Center of mass = 22.2929234743 -1.4714139304 0.841816921332 TCL: atom 1: phi = 0.831692901512 TCL: Center of mass = 22.2940569638 -1.47194382213 0.842313837373 TCL: atom 1: phi = 0.831872949208 TCL: Center of mass = 22.2951659978 -1.472506311 0.842790813821 TCL: atom 1: phi = 0.831824541126 TCL: Center of mass = 22.2962580433 -1.47306785527 0.843256968134 TCL: atom 1: phi = 0.831859292415 TCL: Center of mass = 22.2973197692 -1.47363192719 0.843678685324 TCL: atom 1: phi = 0.831798954407 TCL: Center of mass = 22.2983628036 -1.47417923234 0.844112842684 TCL: atom 1: phi = 0.831894948246 TCL: Center of mass = 22.2993887373 -1.47471218353 0.844519409144 TCL: atom 1: phi = 0.831971066713 TCL: Center of mass = 22.3004154463 -1.4752578183 0.844915690739 TCL: atom 1: phi = 0.832290203887 TCL: Center of mass = 22.3014359901 -1.47584841763 0.845304857685 TCL: atom 1: phi = 0.832634092265 TCL: Center of mass = 22.3024446027 -1.47648678633 0.845714328633 TCL: atom 1: phi = 0.833124543322 TCL: Center of mass = 22.3034399326 -1.47718326259 0.846161892547 TCL: atom 1: phi = 0.833558178382 TCL: Center of mass = 22.3044567099 -1.4779169738 0.846673726127 TCL: atom 1: phi = 0.834053662119 TCL: Center of mass = 22.3054966309 -1.47865886001 0.847227979421 TCL: atom 1: phi = 0.834340032377 TCL: Center of mass = 22.3065568156 -1.47936833868 0.847834858859 TCL: atom 1: phi = 0.834627768094 TCL: Center of mass = 22.3076378492 -1.48003711986 0.848465389335 TCL: atom 1: phi = 0.83480318119 TCL: Center of mass = 22.3087411201 -1.48062878313 0.84910102445 TCL: atom 1: phi = 0.835139178005 TCL: Center of mass = 22.3098578053 -1.48112358269 0.849742195105 TCL: atom 1: phi = 0.835533466031 TCL: Center of mass = 22.3109799282 -1.48157619435 0.850380276526 TCL: atom 1: phi = 0.836239757067 TCL: Center of mass = 22.3120917939 -1.4819915435 0.850993016874 TCL: atom 1: phi = 0.837009370256 TCL: Center of mass = 22.3132095704 -1.48244943671 0.85158670256 TCL: atom 1: phi = 0.838051613253 TCL: Center of mass = 22.3143223915 -1.48290967845 0.852145019275 TCL: atom 1: phi = 0.838977128489 TCL: Center of mass = 22.3154625778 -1.48339358595 0.852674586357 TCL: atom 1: phi = 0.839874257682 TCL: Center of mass = 22.3166002259 -1.48387957365 0.853180045676 TCL: atom 1: phi = 0.840440697721 TCL: Center of mass = 22.3177835377 -1.48436987569 0.853683894403 TCL: atom 1: phi = 0.840858515756 TCL: Center of mass = 22.3189794089 -1.48481502679 0.854181054768 TCL: atom 1: phi = 0.840943976792 TCL: Center of mass = 22.3201647361 -1.48523235617 0.854689989401 TCL: atom 1: phi = 0.84097346484 TCL: Center of mass = 22.321341246 -1.48558067906 0.855168725923 TCL: atom 1: phi = 0.840779899509 TCL: Center of mass = 22.3225057932 -1.48589438673 0.855625682156 TCL: atom 1: phi = 0.840657520889 TCL: Center of mass = 22.3236352384 -1.48616229748 0.856049398177 TCL: atom 1: phi = 0.840414472801 TCL: Center of mass = 22.3247626634 -1.4864143994 0.856415137731 TCL: atom 1: phi = 0.84016388854 TCL: Center of mass = 22.3258591395 -1.48667610588 0.856729809513 TCL: atom 1: phi = 0.839719074757 TCL: Center of mass = 22.3269729869 -1.48696332918 0.857026893061 TCL: atom 1: phi = 0.839130991443 TCL: Center of mass = 22.3280784414 -1.48726454232 0.857331124627 TCL: atom 1: phi = 0.838176309858 TCL: Center of mass = 22.329207792 -1.48754398546 0.857664836214 TCL: atom 1: phi = 0.837082746355 TCL: Center of mass = 22.330352173 -1.48779920522 0.858014187202 TCL: atom 1: phi = 0.835730082474 TCL: Center of mass = 22.3315250824 -1.48800492093 0.858403189242 TCL: atom 1: phi = 0.834340861451 TCL: Center of mass = 22.3327102419 -1.4881414053 0.858825299511 TCL: atom 1: phi = 0.832830843171 TCL: Center of mass = 22.333927871 -1.48825106426 0.859300676487 TCL: atom 1: phi = 0.831519358442 TCL: Center of mass = 22.3351177054 -1.48831020255 0.859798746361 TCL: atom 1: phi = 0.830275059891 TCL: Center of mass = 22.3363254051 -1.48835091243 0.860287544028 TCL: atom 1: phi = 0.829304413767 TCL: Center of mass = 22.3375090013 -1.4883767582 0.860757513393 TCL: atom 1: phi = 0.828338242101 TCL: Center of mass = 22.3386866148 -1.48842666362 0.861228599418 TCL: atom 1: phi = 0.827573820692 TCL: Center of mass = 22.3398747296 -1.48849881362 0.861705732575 TCL: atom 1: phi = 0.826841104224 TCL: Center of mass = 22.3410764705 -1.4885865304 0.862199253209 TCL: atom 1: phi = 0.826324538979 TCL: Center of mass = 22.342289788 -1.48867481509 0.862699438764 TCL: atom 1: phi = 0.825803888151 TCL: Center of mass = 22.3435173378 -1.48875831247 0.863233688555 TCL: atom 1: phi = 0.825499442897 TCL: Center of mass = 22.3447451998 -1.48883374592 0.863791260144 TCL: atom 1: phi = 0.825242272582 TCL: Center of mass = 22.3459625516 -1.48891580558 0.864373602622 TCL: atom 1: phi = 0.825252340406 TCL: Center of mass = 22.3471462473 -1.48901725558 0.864950424548 TCL: atom 1: phi = 0.825310592573 TCL: Center of mass = 22.3483065135 -1.48916012871 0.865506073687 TCL: atom 1: phi = 0.825601222245 TCL: Center of mass = 22.3494196295 -1.48931808761 0.866031452771 TCL: atom 1: phi = 0.825842847963 TCL: Center of mass = 22.3505068449 -1.48951263579 0.86652004105 TCL: atom 1: phi = 0.826190318992 TCL: Center of mass = 22.3515815458 -1.48972894655 0.866957614516 TCL: atom 1: phi = 0.82636372724 TCL: Center of mass = 22.3526630443 -1.48997065644 0.867368135005 TCL: atom 1: phi = 0.826569514708 TCL: Center of mass = 22.3537464608 -1.49023116033 0.867743208248 TCL: atom 1: phi = 0.826594563752 TIMING: 16000 CPU: 856.625, 0.0541718/step Wall: 1022.11, 0.0636599/step, 0.0707332 hours remaining, 13612 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 16000 3518.2729 2580.0610 386.5289 44.7096 -44848.9777 4053.1700 0.0000 0.0000 9827.8864 -24438.3489 291.3385 -24295.3039 -24284.7081 292.8504 609.8119 -966.1930 125000.0000 -580.1013 -579.7922 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16000 WRITING COORDINATES TO DCD FILE AT STEP 16000 WRITING COORDINATES TO RESTART FILE AT STEP 16000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 22.3548589036 -1.49051530639 0.868111401772 TCL: atom 1: phi = 0.826663667074 TCL: Center of mass = 22.3559863761 -1.49079540838 0.86847536905 TCL: atom 1: phi = 0.826640296108 TCL: Center of mass = 22.3571729523 -1.49108931338 0.868842317972 TCL: atom 1: phi = 0.826790890701 TCL: Center of mass = 22.358381703 -1.49137400476 0.869185567574 TCL: atom 1: phi = 0.826956364024 TCL: Center of mass = 22.3596198705 -1.49167807621 0.869522845034 TCL: atom 1: phi = 0.827365979385 TCL: Center of mass = 22.3608891583 -1.49197933505 0.869834521873 TCL: atom 1: phi = 0.827794080903 TCL: Center of mass = 22.3621992854 -1.49227917025 0.870132735699 TCL: atom 1: phi = 0.828481430997 TCL: Center of mass = 22.3635209221 -1.49256321325 0.870385395472 TCL: atom 1: phi = 0.829175696821 TCL: Center of mass = 22.3648779352 -1.49284507824 0.870638063384 TCL: atom 1: phi = 0.830099369117 TCL: Center of mass = 22.3662652483 -1.49309681128 0.870877918127 TCL: atom 1: phi = 0.830974946193 TCL: Center of mass = 22.3676932707 -1.49332017263 0.871138000654 TCL: atom 1: phi = 0.832058876502 TCL: Center of mass = 22.3691220244 -1.49353301077 0.871378095206 TCL: atom 1: phi = 0.833127924143 TCL: Center of mass = 22.3705828824 -1.49373985405 0.871611131065 TCL: atom 1: phi = 0.834359295498 TCL: Center of mass = 22.3720229247 -1.4939357982 0.871829780242 TCL: atom 1: phi = 0.835497835557 TCL: Center of mass = 22.3734867091 -1.49413619772 0.87204008453 TCL: atom 1: phi = 0.836770861189 TCL: Center of mass = 22.3749138326 -1.49435207609 0.872227395249 TCL: atom 1: phi = 0.837870173662 TCL: Center of mass = 22.3763401435 -1.49456216598 0.87242696374 TCL: atom 1: phi = 0.83904721663 TCL: Center of mass = 22.3777436098 -1.49475544241 0.872596686171 TCL: atom 1: phi = 0.839907041827 TCL: Center of mass = 22.3791461167 -1.49491111977 0.872733169961 TCL: atom 1: phi = 0.840789590767 TCL: Center of mass = 22.3805505704 -1.49502545161 0.872830509681 TCL: atom 1: phi = 0.841381828594 TCL: Center of mass = 22.3819676629 -1.49513049846 0.872902751224 TCL: atom 1: phi = 0.84208161681 TCL: Center of mass = 22.3833738074 -1.49521077964 0.872920217369 TCL: atom 1: phi = 0.842558199539 TCL: Center of mass = 22.3847910346 -1.49531865685 0.872926343736 TCL: atom 1: phi = 0.843152740649 TCL: Center of mass = 22.3861973046 -1.49543395372 0.872892285511 TCL: atom 1: phi = 0.843611389532 TCL: Center of mass = 22.3876109817 -1.49557526885 0.872861940275 TCL: atom 1: phi = 0.844320441035 TCL: Center of mass = 22.3890231409 -1.49573549834 0.872811797626 TCL: atom 1: phi = 0.844925523056 TCL: Center of mass = 22.3904722078 -1.49589812857 0.87280297317 TCL: atom 1: phi = 0.845738270975 TCL: Center of mass = 22.3919506673 -1.49603432723 0.872798149897 TCL: atom 1: phi = 0.846494126245 TCL: Center of mass = 22.3934579128 -1.49613031759 0.872814675502 TCL: atom 1: phi = 0.84744236517 TCL: Center of mass = 22.3949770493 -1.49618767995 0.872798797262 TCL: atom 1: phi = 0.848387187759 TCL: Center of mass = 22.3965032691 -1.49621225999 0.872784028236 TCL: atom 1: phi = 0.849651001601 TCL: Center of mass = 22.3980365571 -1.49622070643 0.872764304753 TCL: atom 1: phi = 0.850973640579 TCL: Center of mass = 22.3995835194 -1.49623624831 0.872739976144 TCL: atom 1: phi = 0.852598444816 TCL: Center of mass = 22.401108857 -1.49628815203 0.872740917302 TCL: atom 1: phi = 0.854214033228 TCL: Center of mass = 22.4026381444 -1.49637024826 0.872789632909 TCL: atom 1: phi = 0.856060911593 TCL: Center of mass = 22.4041616043 -1.49648010021 0.872888352511 TCL: atom 1: phi = 0.857731034273 TCL: Center of mass = 22.4056999559 -1.49661178096 0.873021708583 TCL: atom 1: phi = 0.859558655501 TCL: Center of mass = 22.4072221654 -1.49674308403 0.873194238748 TCL: atom 1: phi = 0.861177071876 TCL: Center of mass = 22.4087412857 -1.49687351885 0.873419628026 TCL: atom 1: phi = 0.862810907977 TCL: Center of mass = 22.4102074978 -1.49694452132 0.873669440697 TCL: atom 1: phi = 0.864177968878 TCL: Center of mass = 22.4116529185 -1.49698168845 0.873927273993 TCL: atom 1: phi = 0.865572765934 TCL: Center of mass = 22.4130376216 -1.49697256316 0.874188735389 TCL: atom 1: phi = 0.866696503306 TCL: Center of mass = 22.4143929628 -1.49695578062 0.874426980726 TCL: atom 1: phi = 0.867873006722 TCL: Center of mass = 22.415671965 -1.4969583244 0.874631975588 TCL: atom 1: phi = 0.868713106501 TCL: Center of mass = 22.4169458294 -1.4969997235 0.874825539958 TCL: atom 1: phi = 0.869477196061 TCL: Center of mass = 22.4182066147 -1.49706551706 0.875010575011 TCL: atom 1: phi = 0.869909240671 TCL: Center of mass = 22.4194842933 -1.49717073855 0.875201846398 TCL: atom 1: phi = 0.870305689608 TCL: Center of mass = 22.4207815302 -1.4972746393 0.875391635912 TCL: atom 1: phi = 0.870383973626 TCL: Center of mass = 22.4221350718 -1.49737665229 0.875584312598 TCL: atom 1: phi = 0.87047933302 TCL: Center of mass = 22.4234855347 -1.4974309689 0.87577007425 TCL: atom 1: phi = 0.870400370419 TCL: Center of mass = 22.4248704663 -1.49746495197 0.875946749847 TCL: atom 1: phi = 0.870452451427 TCL: Center of mass = 22.4262394062 -1.49745757396 0.876076196534 TCL: atom 1: phi = 0.870360390265 TCL: Center of mass = 22.4276140313 -1.49744071119 0.876169221753 TCL: atom 1: phi = 0.870400504444 TCL: Center of mass = 22.4289727618 -1.49740844645 0.876206389357 TCL: atom 1: phi = 0.870287511205 TCL: Center of mass = 22.4303374819 -1.49737990495 0.876235110436 TCL: atom 1: phi = 0.870282161036 TCL: Center of mass = 22.4316746419 -1.497375419 0.876251614504 TCL: atom 1: phi = 0.870060304701 TCL: Center of mass = 22.4330014164 -1.49739781369 0.876270759776 TCL: atom 1: phi = 0.869825739488 TCL: Center of mass = 22.434338596 -1.49743558052 0.876300189429 TCL: atom 1: phi = 0.869317782165 TCL: Center of mass = 22.4357100513 -1.49748324865 0.876371516122 TCL: atom 1: phi = 0.868862157232 TCL: Center of mass = 22.4370706256 -1.49748999327 0.876459756726 TCL: atom 1: phi = 0.868236750647 TCL: Center of mass = 22.4384482877 -1.4974641749 0.876593391472 TCL: atom 1: phi = 0.867744477256 TCL: Center of mass = 22.4397957173 -1.49739597489 0.876750456584 TCL: atom 1: phi = 0.867245100996 TCL: Center of mass = 22.4411087493 -1.49730560835 0.876911149674 TCL: atom 1: phi = 0.867032896628 TCL: Center of mass = 22.442368085 -1.49720106325 0.877048038466 TCL: atom 1: phi = 0.866796391586 TCL: Center of mass = 22.4435780647 -1.49710597055 0.877192633739 TCL: atom 1: phi = 0.866728599366 TCL: Center of mass = 22.4447527212 -1.49701885064 0.877314926974 TCL: atom 1: phi = 0.866558180378 TCL: Center of mass = 22.4459259532 -1.4969783147 0.877464779939 TCL: atom 1: phi = 0.8665007407 TCL: Center of mass = 22.4470837105 -1.49693933837 0.877616950379 TCL: atom 1: phi = 0.866383975546 TCL: Center of mass = 22.4482706139 -1.49688437855 0.87781008356 TCL: atom 1: phi = 0.866433690114 TCL: Center of mass = 22.4494563854 -1.49681445008 0.878017154348 TCL: atom 1: phi = 0.866506813062 TCL: Center of mass = 22.4506357452 -1.4967150968 0.878261441813 TCL: atom 1: phi = 0.866831509066 TCL: Center of mass = 22.4518110657 -1.49657114742 0.878515382171 TCL: atom 1: phi = 0.867219713913 TCL: Center of mass = 22.4529970507 -1.4964094593 0.878767603015 TCL: atom 1: phi = 0.867886846133 TCL: Center of mass = 22.4541510125 -1.49621770607 0.878990621592 TCL: atom 1: phi = 0.868575743552 TCL: Center of mass = 22.4552789221 -1.49601173303 0.879205362335 TCL: atom 1: phi = 0.869391346146 TCL: Center of mass = 22.4564016035 -1.49579001613 0.87936422578 TCL: atom 1: phi = 0.870077081962 TCL: Center of mass = 22.457540444 -1.4955733973 0.879487124678 TCL: atom 1: phi = 0.870747902357 TCL: Center of mass = 22.4586849401 -1.49536482423 0.879568918678 TCL: atom 1: phi = 0.87118767842 TCL: Center of mass = 22.4598611559 -1.49516135464 0.879618131888 TCL: atom 1: phi = 0.871642718328 TCL: Center of mass = 22.4610524573 -1.49493894967 0.879642499708 TCL: atom 1: phi = 0.871889366486 TCL: Center of mass = 22.4622609232 -1.49471240073 0.879672216477 TCL: atom 1: phi = 0.872218518157 TCL: Center of mass = 22.4634792917 -1.49446435137 0.879697777814 TCL: atom 1: phi = 0.872435974172 TCL: Center of mass = 22.4646989609 -1.49421808334 0.879758733986 TCL: atom 1: phi = 0.872798963588 TCL: Center of mass = 22.4658921517 -1.49397022911 0.879819572792 TCL: atom 1: phi = 0.873026272027 TCL: Center of mass = 22.4670555355 -1.49372357808 0.879890183286 TCL: atom 1: phi = 0.873351829226 TCL: Center of mass = 22.4682055349 -1.49349110387 0.879957855756 TCL: atom 1: phi = 0.873423964231 TCL: Center of mass = 22.4693779963 -1.49326982777 0.880033288861 TCL: atom 1: phi = 0.873470973224 TCL: Center of mass = 22.4705373114 -1.49303135535 0.88013234517 TCL: atom 1: phi = 0.87328718787 TCL: Center of mass = 22.4717295501 -1.49278328086 0.88024736561 TCL: atom 1: phi = 0.873097796098 TCL: Center of mass = 22.4729163936 -1.49254928664 0.880388890579 TCL: atom 1: phi = 0.87270965535 TCL: Center of mass = 22.4741418972 -1.49232867108 0.880576272065 TCL: atom 1: phi = 0.87246808069 TCL: Center of mass = 22.4753500264 -1.49215007522 0.880822610574 TCL: atom 1: phi = 0.872120109811 TCL: Center of mass = 22.4765868191 -1.49199967236 0.881131231546 TCL: atom 1: phi = 0.871951421442 TCL: Center of mass = 22.4778191517 -1.4918547477 0.881483401595 TCL: atom 1: phi = 0.871693672329 TCL: Center of mass = 22.479044697 -1.49175066707 0.881882718621 TCL: atom 1: phi = 0.87152475815 TCL: Center of mass = 22.4802410387 -1.49165508748 0.88230603162 TCL: atom 1: phi = 0.871107510937 TCL: Center of mass = 22.481430314 -1.49155019113 0.882743668506 TCL: atom 1: phi = 0.870705379454 TCL: Center of mass = 22.4826225075 -1.491450435 0.883176541265 TCL: atom 1: phi = 0.870010726365 TCL: Center of mass = 22.4838402881 -1.49132018377 0.883608052116 TCL: atom 1: phi = 0.869300128443 TCL: Center of mass = 22.4850965399 -1.49117548062 0.883989986572 TCL: atom 1: phi = 0.868378431824 WRITING COORDINATES TO DCD FILE AT STEP 16100 WRITING COORDINATES TO RESTART FILE AT STEP 16100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16100 FINISHED WRITING RESTART VELOCITIES TIMING: 16100 CPU: 862.036, 0.0541118/step Wall: 1028.53, 0.0642188/step, 0.0695703 hours remaining, 13612 kB of memory in use. ENERGY: 16100 3478.8894 2431.5670 395.0766 39.1448 -44693.7259 4055.3950 0.0000 0.0000 9877.3043 -24416.3488 292.8035 -24272.1425 -24265.7290 291.1754 815.5407 -909.0340 125000.0000 -940.7986 -937.5625 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16100 TCL: Center of mass = 22.4863946741 -1.49102357331 0.884352682743 TCL: atom 1: phi = 0.867574428681 TCL: Center of mass = 22.4876966115 -1.49087194055 0.884656867277 TCL: atom 1: phi = 0.866753938436 TCL: Center of mass = 22.489030197 -1.49074560451 0.884920346948 TCL: atom 1: phi = 0.866091396835 TCL: Center of mass = 22.4903868433 -1.49067911247 0.885122129336 TCL: atom 1: phi = 0.865462056575 TCL: Center of mass = 22.491754665 -1.49063218184 0.885322053351 TCL: atom 1: phi = 0.865005985355 TCL: Center of mass = 22.4931319335 -1.49059195626 0.885484905054 TCL: atom 1: phi = 0.864513591563 TCL: Center of mass = 22.4945139272 -1.49053760352 0.885626031133 TCL: atom 1: phi = 0.86412968702 TCL: Center of mass = 22.4959147656 -1.490460975 0.885723396758 TCL: atom 1: phi = 0.863640475947 TCL: Center of mass = 22.4973265793 -1.4903512308 0.885782926809 TCL: atom 1: phi = 0.863318492468 TCL: Center of mass = 22.4987459453 -1.49022744143 0.885800187328 TCL: atom 1: phi = 0.862987405089 TCL: Center of mass = 22.5002184197 -1.49008861883 0.885786229715 TCL: atom 1: phi = 0.862923731982 TCL: Center of mass = 22.5017061901 -1.48994726922 0.885733217207 TCL: atom 1: phi = 0.862971334836 TCL: Center of mass = 22.5032247103 -1.48981938351 0.885690706815 TCL: atom 1: phi = 0.863328848305 TCL: Center of mass = 22.5047622003 -1.48971679339 0.885673423239 TCL: atom 1: phi = 0.863768617866 TCL: Center of mass = 22.5063451631 -1.48963891251 0.885720535965 TCL: atom 1: phi = 0.864394308183 TCL: Center of mass = 22.5079367848 -1.48956215265 0.885782322011 TCL: atom 1: phi = 0.864838419116 TCL: Center of mass = 22.5095412944 -1.48947443114 0.885911586859 TCL: atom 1: phi = 0.865229355218 TCL: Center of mass = 22.5111596251 -1.48935866349 0.886091929672 TCL: atom 1: phi = 0.865292320045 TCL: Center of mass = 22.5127869726 -1.48919862323 0.886302453935 TCL: atom 1: phi = 0.865237098105 TCL: Center of mass = 22.5144109568 -1.48901603057 0.886526086347 TCL: atom 1: phi = 0.864950280622 TCL: Center of mass = 22.5160484422 -1.48882145472 0.886754362743 TCL: atom 1: phi = 0.864674891232 TCL: Center of mass = 22.5176724144 -1.48862957036 0.886967635395 TCL: atom 1: phi = 0.864316463354 TCL: Center of mass = 22.5193057102 -1.48844006692 0.887194757653 TCL: atom 1: phi = 0.864091543806 TCL: Center of mass = 22.5209465694 -1.48827944909 0.887407958416 TCL: atom 1: phi = 0.863910953929 TCL: Center of mass = 22.5226307551 -1.48815443153 0.887641864926 TCL: atom 1: phi = 0.863922912386 TCL: Center of mass = 22.524300198 -1.48805366208 0.887898129583 TCL: atom 1: phi = 0.863917357324 TCL: Center of mass = 22.5259853963 -1.4879705187 0.888185704881 TCL: atom 1: phi = 0.86405731712 TCL: Center of mass = 22.5276487363 -1.48790363237 0.888483015687 TCL: atom 1: phi = 0.864159056793 TCL: Center of mass = 22.5293101494 -1.48780321784 0.888803523035 TCL: atom 1: phi = 0.864369083298 TCL: Center of mass = 22.530916253 -1.48770137865 0.889112752314 TCL: atom 1: phi = 0.864583741913 TCL: Center of mass = 22.5324938974 -1.48760078396 0.889386241354 TCL: atom 1: phi = 0.865067820767 TCL: Center of mass = 22.534011568 -1.48752868048 0.889653658402 TCL: atom 1: phi = 0.865736056874 TCL: Center of mass = 22.5355132275 -1.4874855034 0.889899491507 TCL: atom 1: phi = 0.866805613695 TCL: Center of mass = 22.536988432 -1.48747477777 0.890113825142 TCL: atom 1: phi = 0.868074313078 TCL: Center of mass = 22.5384764941 -1.48751321604 0.890338618031 TCL: atom 1: phi = 0.869583054498 TCL: Center of mass = 22.5399514744 -1.4875702418 0.89057308364 TCL: atom 1: phi = 0.871084056159 TCL: Center of mass = 22.5414405211 -1.48765789726 0.890854038284 TCL: atom 1: phi = 0.872627657017 TCL: Center of mass = 22.5429200802 -1.48776065695 0.891177064689 TCL: atom 1: phi = 0.873977980482 TCL: Center of mass = 22.5443751176 -1.4878535492 0.891557777482 TCL: atom 1: phi = 0.875176861499 TCL: Center of mass = 22.5457796923 -1.48793673747 0.8919723369 TCL: atom 1: phi = 0.876057689447 TCL: Center of mass = 22.5471915632 -1.48802743393 0.892426300374 TCL: atom 1: phi = 0.876800695604 TCL: Center of mass = 22.5485594358 -1.48811846452 0.892845418794 TCL: atom 1: phi = 0.87730481619 TCL: Center of mass = 22.5499270826 -1.48824006874 0.893253702383 TCL: atom 1: phi = 0.877774257887 TCL: Center of mass = 22.5512797351 -1.48836512422 0.893649550166 TCL: atom 1: phi = 0.878108148614 TCL: Center of mass = 22.5526379556 -1.48849346669 0.894075103345 TCL: atom 1: phi = 0.878495130462 TCL: Center of mass = 22.5539944474 -1.48862817874 0.894501813423 TCL: atom 1: phi = 0.878731770358 TCL: Center of mass = 22.555387523 -1.48878069194 0.894967050413 TCL: atom 1: phi = 0.878937515423 TCL: Center of mass = 22.5567664998 -1.4889283748 0.895448153334 TCL: atom 1: phi = 0.878937697843 TCL: Center of mass = 22.5581512755 -1.48906779262 0.895962210681 TCL: atom 1: phi = 0.878921729989 TCL: Center of mass = 22.5595165353 -1.4891858804 0.89647366134 TCL: atom 1: phi = 0.878790832781 TCL: Center of mass = 22.5608932834 -1.48927768779 0.896999440219 TCL: atom 1: phi = 0.878720453035 TCL: Center of mass = 22.5622245056 -1.48934720539 0.897503468107 TCL: atom 1: phi = 0.878605752711 TCL: Center of mass = 22.5635619029 -1.48940698263 0.897979783377 TCL: atom 1: phi = 0.878701329326 TCL: Center of mass = 22.5648826125 -1.48943272213 0.898410729392 TCL: atom 1: phi = 0.878864657415 TCL: Center of mass = 22.5662043677 -1.48944298256 0.898800912516 TCL: atom 1: phi = 0.87922487752 TCL: Center of mass = 22.5675005035 -1.48943145649 0.899130324208 TCL: atom 1: phi = 0.87955259611 TCL: Center of mass = 22.5688087254 -1.4894063308 0.899456590818 TCL: atom 1: phi = 0.879989272375 TCL: Center of mass = 22.5701175021 -1.48936369654 0.899756880354 TCL: atom 1: phi = 0.880269338686 TCL: Center of mass = 22.5714633711 -1.48930287237 0.900068654717 TCL: atom 1: phi = 0.880494712728 TCL: Center of mass = 22.5728059062 -1.48926244963 0.900368521315 TCL: atom 1: phi = 0.880466952081 TCL: Center of mass = 22.5741610679 -1.48925859828 0.900679170633 TCL: atom 1: phi = 0.880379080077 TCL: Center of mass = 22.5755080556 -1.48926578907 0.900963103714 TCL: atom 1: phi = 0.880098846253 TCL: Center of mass = 22.576871113 -1.48927520088 0.901244431028 TCL: atom 1: phi = 0.879862241224 TCL: Center of mass = 22.5782248439 -1.48930691632 0.90150270215 TCL: atom 1: phi = 0.879541704158 TCL: Center of mass = 22.5795967858 -1.4893321803 0.90175716494 TCL: atom 1: phi = 0.879333782141 TCL: Center of mass = 22.5809527394 -1.48933688714 0.901993185622 TCL: atom 1: phi = 0.879009255557 TCL: Center of mass = 22.5823402579 -1.48933084159 0.90223955764 TCL: atom 1: phi = 0.8787780199 TCL: Center of mass = 22.5837279199 -1.48934259717 0.902476763606 TCL: atom 1: phi = 0.878469399143 TCL: Center of mass = 22.5851518506 -1.48936078047 0.902735518191 TCL: atom 1: phi = 0.878187989723 TCL: Center of mass = 22.5865804893 -1.48939696848 0.903017942354 TCL: atom 1: phi = 0.877813563615 TCL: Center of mass = 22.5880180291 -1.4894695297 0.903338038716 TCL: atom 1: phi = 0.877547464645 TCL: Center of mass = 22.5894308936 -1.48958689585 0.903678668962 TCL: atom 1: phi = 0.877251878403 TCL: Center of mass = 22.5908547889 -1.48974975854 0.904035614395 TCL: atom 1: phi = 0.877066670671 TCL: Center of mass = 22.5922587749 -1.48993402311 0.904422841876 TCL: atom 1: phi = 0.876893458845 TCL: Center of mass = 22.5936890804 -1.49011559365 0.904821964711 TCL: atom 1: phi = 0.876896094521 TCL: Center of mass = 22.5951039535 -1.4902757729 0.90523402403 TCL: atom 1: phi = 0.87693248347 TCL: Center of mass = 22.5965155522 -1.49043286127 0.905630118021 TCL: atom 1: phi = 0.877051687137 TCL: Center of mass = 22.5979050398 -1.49054552337 0.905985083084 TCL: atom 1: phi = 0.876993247197 TCL: Center of mass = 22.5992956926 -1.49062317388 0.906329334149 TCL: atom 1: phi = 0.876853204592 TCL: Center of mass = 22.6006756925 -1.49069037173 0.906637291418 TCL: atom 1: phi = 0.876448941054 TCL: Center of mass = 22.6020578302 -1.49077393885 0.906935794458 TCL: atom 1: phi = 0.875995058436 TCL: Center of mass = 22.6034328254 -1.49088839251 0.907221985614 TCL: atom 1: phi = 0.875324984366 TCL: Center of mass = 22.6048175545 -1.49104928077 0.907517964735 TCL: atom 1: phi = 0.874608037083 TCL: Center of mass = 22.6062138406 -1.4912269672 0.90781245231 TCL: atom 1: phi = 0.873751685476 TCL: Center of mass = 22.6076234606 -1.49140051976 0.908125070938 TCL: atom 1: phi = 0.872918508906 TCL: Center of mass = 22.6090522746 -1.49154403235 0.908432400535 TCL: atom 1: phi = 0.871952642548 TCL: Center of mass = 22.6105181229 -1.49163664523 0.908706327631 TCL: atom 1: phi = 0.871072538589 TCL: Center of mass = 22.6119963181 -1.49167305097 0.908938877363 TCL: atom 1: phi = 0.870155967185 TCL: Center of mass = 22.6135052723 -1.4916670649 0.909157605208 TCL: atom 1: phi = 0.86923620115 TCL: Center of mass = 22.6149898712 -1.49163138 0.909339303332 TCL: atom 1: phi = 0.868306559712 TCL: Center of mass = 22.6164791281 -1.49158856976 0.909549649082 TCL: atom 1: phi = 0.867634969077 TCL: Center of mass = 22.6179474294 -1.49153405005 0.909753112753 TCL: atom 1: phi = 0.867157255682 TCL: Center of mass = 22.6194343676 -1.49150126886 0.909996699518 TCL: atom 1: phi = 0.867101551145 TCL: Center of mass = 22.6209183625 -1.49147702103 0.910248709376 TCL: atom 1: phi = 0.867368779801 TCL: Center of mass = 22.6224097981 -1.49145075721 0.910549865385 TCL: atom 1: phi = 0.868064155856 TCL: Center of mass = 22.6238755659 -1.49140527915 0.910869093564 TCL: atom 1: phi = 0.868965604719 TCL: Center of mass = 22.6253418923 -1.49130897596 0.91119539775 TCL: atom 1: phi = 0.870183945735 TCL: Center of mass = 22.6267661821 -1.49117159008 0.911509900484 TCL: atom 1: phi = 0.871469458574 TCL: Center of mass = 22.6281699934 -1.49102030547 0.911829557727 TCL: atom 1: phi = 0.872859086853 TCL: Center of mass = 22.6295386003 -1.49086208871 0.912106290147 TCL: atom 1: phi = 0.87409484015 TIMING: 16200 CPU: 867.436, 0.0540018/step Wall: 1034.91, 0.0637214/step, 0.0672615 hours remaining, 13612 kB of memory in use. ENERGY: 16200 3491.7187 2461.1865 400.0628 42.0160 -44987.9169 4300.3157 0.0000 0.0000 9896.2431 -24396.3740 293.3649 -24251.0518 -24246.5173 293.6218 1786.5327 -66.5024 125000.0000 -611.8761 -611.2056 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16200 WRITING COORDINATES TO DCD FILE AT STEP 16200 WRITING COORDINATES TO RESTART FILE AT STEP 16200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 22.6308601867 -1.49069394921 0.912343700173 TCL: atom 1: phi = 0.875248270676 TCL: Center of mass = 22.6321275086 -1.49056565737 0.912547466508 TCL: atom 1: phi = 0.876231432818 TCL: Center of mass = 22.6333708505 -1.49048244441 0.912738937726 TCL: atom 1: phi = 0.877150739007 TCL: Center of mass = 22.6345813513 -1.49043888699 0.912942247379 TCL: atom 1: phi = 0.877863608067 TCL: Center of mass = 22.6357943802 -1.49044231611 0.913161466355 TCL: atom 1: phi = 0.878590462429 TCL: Center of mass = 22.6369859602 -1.4904749775 0.913387528236 TCL: atom 1: phi = 0.879101361825 TCL: Center of mass = 22.6381803142 -1.49052538163 0.913637082396 TCL: atom 1: phi = 0.879632143698 TCL: Center of mass = 22.6393535628 -1.4905822614 0.913830256869 TCL: atom 1: phi = 0.879892059955 TCL: Center of mass = 22.6405406951 -1.49064629894 0.91399917165 TCL: atom 1: phi = 0.880126375644 TCL: Center of mass = 22.6417132464 -1.49072122592 0.914117189567 TCL: atom 1: phi = 0.880154420341 TCL: Center of mass = 22.6429070904 -1.49081183484 0.914190037867 TCL: atom 1: phi = 0.880212457369 TCL: Center of mass = 22.644087849 -1.49092985267 0.914227924582 TCL: atom 1: phi = 0.880169168578 TCL: Center of mass = 22.6452792387 -1.49105814111 0.914255972153 TCL: atom 1: phi = 0.880292356137 TCL: Center of mass = 22.6464477477 -1.49118456901 0.914279892889 TCL: atom 1: phi = 0.880456363256 TCL: Center of mass = 22.6476406239 -1.49132152095 0.914332727279 TCL: atom 1: phi = 0.880848808496 TCL: Center of mass = 22.6488497292 -1.49144283538 0.914388062052 TCL: atom 1: phi = 0.881238697339 TCL: Center of mass = 22.6500957507 -1.49154072767 0.914482531533 TCL: atom 1: phi = 0.881744410593 TCL: Center of mass = 22.6513312458 -1.49160221397 0.914590223233 TCL: atom 1: phi = 0.88203822887 TCL: Center of mass = 22.6525789919 -1.49164529543 0.91468535342 TCL: atom 1: phi = 0.882277093712 TCL: Center of mass = 22.6538176412 -1.49165458006 0.914761104374 TCL: atom 1: phi = 0.88217981612 TCL: Center of mass = 22.6550609772 -1.49163596652 0.914794200216 TCL: atom 1: phi = 0.882032979562 TCL: Center of mass = 22.6563059243 -1.49158121233 0.91481086088 TCL: atom 1: phi = 0.881602108006 TCL: Center of mass = 22.6575568467 -1.49152230271 0.91482755149 TCL: atom 1: phi = 0.881137545912 TCL: Center of mass = 22.6587896889 -1.49145258562 0.91484213638 TCL: atom 1: phi = 0.880393436442 TCL: Center of mass = 22.6600136427 -1.49138980583 0.91485836209 TCL: atom 1: phi = 0.879687079093 TCL: Center of mass = 22.6612378526 -1.49132325734 0.914857140468 TCL: atom 1: phi = 0.878785113438 TCL: Center of mass = 22.6624615878 -1.49125832596 0.914894659935 TCL: atom 1: phi = 0.877938651465 TCL: Center of mass = 22.6636807969 -1.49120538297 0.914937700587 TCL: atom 1: phi = 0.876901053531 TCL: Center of mass = 22.6649060708 -1.49118409402 0.914989971634 TCL: atom 1: phi = 0.875959837591 TCL: Center of mass = 22.6661352244 -1.49118678813 0.915012170565 TCL: atom 1: phi = 0.874866281209 TCL: Center of mass = 22.667382433 -1.49122284491 0.915010228235 TCL: atom 1: phi = 0.873965011132 TCL: Center of mass = 22.6686191216 -1.49129132228 0.914978596436 TCL: atom 1: phi = 0.873066998994 TCL: Center of mass = 22.6698527952 -1.49137663756 0.914916513519 TCL: atom 1: phi = 0.872538392425 TCL: Center of mass = 22.6710927998 -1.49148640423 0.914809275786 TCL: atom 1: phi = 0.872160162581 TCL: Center of mass = 22.6723401059 -1.49160330627 0.914708963765 TCL: atom 1: phi = 0.872206275815 TCL: Center of mass = 22.6736004362 -1.49174023109 0.914603538185 TCL: atom 1: phi = 0.872412466908 TCL: Center of mass = 22.6748635137 -1.49186426117 0.914490835433 TCL: atom 1: phi = 0.872966915897 TCL: Center of mass = 22.6761174801 -1.49199372159 0.914392103039 TCL: atom 1: phi = 0.873537096235 TCL: Center of mass = 22.6773865129 -1.49214024186 0.914323323376 TCL: atom 1: phi = 0.874271977635 TCL: Center of mass = 22.6786513916 -1.49229966635 0.914282020182 TCL: atom 1: phi = 0.874874559361 TCL: Center of mass = 22.679922884 -1.49244562601 0.914259807213 TCL: atom 1: phi = 0.875533550226 TCL: Center of mass = 22.6811628942 -1.4925597323 0.914233492778 TCL: atom 1: phi = 0.876012340936 TCL: Center of mass = 22.6824073118 -1.49266210481 0.914204832573 TCL: atom 1: phi = 0.87658103079 TCL: Center of mass = 22.6836553551 -1.49276280164 0.914177098047 TCL: atom 1: phi = 0.877005506635 TCL: Center of mass = 22.6849063586 -1.49283753194 0.914150758347 TCL: atom 1: phi = 0.87749508296 TCL: Center of mass = 22.6861292947 -1.49287651443 0.914138850371 TCL: atom 1: phi = 0.877768009825 TCL: Center of mass = 22.687336671 -1.49290102466 0.914135988955 TCL: atom 1: phi = 0.878021943674 TCL: Center of mass = 22.6885103863 -1.49294248098 0.914162593748 TCL: atom 1: phi = 0.878019839552 TCL: Center of mass = 22.6896548236 -1.49300616527 0.914217425667 TCL: atom 1: phi = 0.87795229794 TCL: Center of mass = 22.6907889248 -1.49308669338 0.914275316548 TCL: atom 1: phi = 0.877695119438 TCL: Center of mass = 22.6919255473 -1.49319560314 0.914325136591 TCL: atom 1: phi = 0.877544573762 TCL: Center of mass = 22.6930580684 -1.49332784248 0.914353391559 TCL: atom 1: phi = 0.877386668955 TCL: Center of mass = 22.6942228434 -1.49348244453 0.914424239789 TCL: atom 1: phi = 0.877529121162 TCL: Center of mass = 22.6954053439 -1.49364750556 0.914483537893 TCL: atom 1: phi = 0.877826437646 TCL: Center of mass = 22.6966099075 -1.49380322378 0.914549324633 TCL: atom 1: phi = 0.878554886547 TCL: Center of mass = 22.6978206137 -1.49395489461 0.914590223538 TCL: atom 1: phi = 0.879429050777 TCL: Center of mass = 22.6990432037 -1.49411971677 0.914634157104 TCL: atom 1: phi = 0.880686110688 TCL: Center of mass = 22.7002531737 -1.4942848394 0.914654331651 TCL: atom 1: phi = 0.881963001353 TCL: Center of mass = 22.7014773192 -1.49447719809 0.914686835687 TCL: atom 1: phi = 0.883385537835 TCL: Center of mass = 22.7026856835 -1.49470502686 0.914697730234 TCL: atom 1: phi = 0.884654685175 TCL: Center of mass = 22.7038847995 -1.49497660415 0.914724732034 TCL: atom 1: phi = 0.885971385555 TCL: Center of mass = 22.7050833443 -1.49526142346 0.914766179745 TCL: atom 1: phi = 0.887056905821 TCL: Center of mass = 22.7062865776 -1.49554795925 0.91483361577 TCL: atom 1: phi = 0.888194900856 TCL: Center of mass = 22.7074754795 -1.49580939794 0.914905248459 TCL: atom 1: phi = 0.889093821673 TCL: Center of mass = 22.7086721701 -1.4960449786 0.914981399693 TCL: atom 1: phi = 0.889990625883 TCL: Center of mass = 22.7098430683 -1.49622978214 0.915051655721 TCL: atom 1: phi = 0.890601493362 TCL: Center of mass = 22.7110023009 -1.49637485628 0.915117590896 TCL: atom 1: phi = 0.891175872762 TCL: Center of mass = 22.7121228062 -1.49647592322 0.91519184279 TCL: atom 1: phi = 0.891300394745 TCL: Center of mass = 22.7131899095 -1.49657954928 0.915266480117 TCL: atom 1: phi = 0.891206227647 TCL: Center of mass = 22.7142267142 -1.49668803621 0.915322524872 TCL: atom 1: phi = 0.890670742622 TCL: Center of mass = 22.7152506386 -1.4968383559 0.915387325242 TCL: atom 1: phi = 0.890042872458 TCL: Center of mass = 22.7162793433 -1.49699457445 0.915436133379 TCL: atom 1: phi = 0.889160472191 TCL: Center of mass = 22.7173275895 -1.49714600043 0.915458570773 TCL: atom 1: phi = 0.888436194533 TCL: Center of mass = 22.7183884836 -1.49728302513 0.915462519833 TCL: atom 1: phi = 0.887686870965 TCL: Center of mass = 22.7194577095 -1.49739152158 0.915442466222 TCL: atom 1: phi = 0.887311014465 TCL: Center of mass = 22.7205547472 -1.49745987373 0.915381949321 TCL: atom 1: phi = 0.886920860829 TCL: Center of mass = 22.7216792697 -1.49751861049 0.915285821547 TCL: atom 1: phi = 0.886812755697 TCL: Center of mass = 22.7228325661 -1.49755319447 0.915159060328 TCL: atom 1: phi = 0.886558295126 TCL: Center of mass = 22.7240101667 -1.49759694195 0.915009651256 TCL: atom 1: phi = 0.886393968077 TCL: Center of mass = 22.7251926819 -1.49765025701 0.914827161827 TCL: atom 1: phi = 0.88594034757 TCL: Center of mass = 22.7263795039 -1.49770457119 0.914649520051 TCL: atom 1: phi = 0.885571824207 TCL: Center of mass = 22.7275889909 -1.49777461246 0.914469219414 TCL: atom 1: phi = 0.88507613264 TCL: Center of mass = 22.7288204156 -1.49783201894 0.914306131681 TCL: atom 1: phi = 0.884766032473 TCL: Center of mass = 22.7300678011 -1.49785822008 0.914161702717 TCL: atom 1: phi = 0.884404162491 TCL: Center of mass = 22.7313191703 -1.49784568573 0.914056658953 TCL: atom 1: phi = 0.884262446009 TCL: Center of mass = 22.7325829434 -1.49778024239 0.913975543252 TCL: atom 1: phi = 0.884072208228 TCL: Center of mass = 22.7338350334 -1.49767586655 0.913895344726 TCL: atom 1: phi = 0.884103986155 TCL: Center of mass = 22.7350792456 -1.49755365162 0.913810661134 TCL: atom 1: phi = 0.883986409395 TCL: Center of mass = 22.7363146359 -1.49741759769 0.913727059653 TCL: atom 1: phi = 0.883918829081 TCL: Center of mass = 22.7375514167 -1.4972642204 0.913649697725 TCL: atom 1: phi = 0.883644258911 TCL: Center of mass = 22.7387747351 -1.49710590221 0.913571855616 TCL: atom 1: phi = 0.883396191432 TCL: Center of mass = 22.7399852535 -1.49694112365 0.913494315107 TCL: atom 1: phi = 0.882985530121 TCL: Center of mass = 22.7411979426 -1.49677045638 0.913418783112 TCL: atom 1: phi = 0.882691935199 TCL: Center of mass = 22.742415282 -1.49660606697 0.913333480927 TCL: atom 1: phi = 0.882341730566 TCL: Center of mass = 22.7436446891 -1.49643892715 0.913269777867 TCL: atom 1: phi = 0.882302529355 TCL: Center of mass = 22.7448713167 -1.49626338103 0.913187157834 TCL: atom 1: phi = 0.882323717451 TCL: Center of mass = 22.7461243539 -1.49608635725 0.913100645472 TCL: atom 1: phi = 0.8826226204 TCL: Center of mass = 22.7474071364 -1.49594114709 0.912969401214 TCL: atom 1: phi = 0.882920247021 TCL: Center of mass = 22.7487030955 -1.49579332771 0.912811424437 TCL: atom 1: phi = 0.883296852529 TCL: Center of mass = 22.7500091908 -1.49567081727 0.912611425968 TCL: atom 1: phi = 0.88342164645 WRITING COORDINATES TO DCD FILE AT STEP 16300 WRITING COORDINATES TO RESTART FILE AT STEP 16300 FINISHED WRITING RESTART COORDINATES TIMING: 16300 CPU: 872.844, 0.0540818/step Wall: 1041.64, 0.0673099/step, 0.0691796 hours remaining, 13612 kB of memory in use. ENERGY: 16300 3458.7096 2538.8665 393.3475 44.2734 -44873.1760 4146.8998 0.0000 0.0000 9927.3474 -24363.7319 294.2870 -24218.6374 -24212.9796 293.4022 1461.3686 -530.4549 125000.0000 -346.8963 -355.4111 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16300 WRITING VELOCITIES TO RESTART FILE AT STEP 16300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 22.751317612 -1.49557477764 0.912413772368 TCL: atom 1: phi = 0.883501079602 TCL: Center of mass = 22.7526471545 -1.49552680997 0.912170079142 TCL: atom 1: phi = 0.883256115007 TCL: Center of mass = 22.7539954049 -1.49551383341 0.911941228315 TCL: atom 1: phi = 0.882983568839 TCL: Center of mass = 22.7553410964 -1.49552069072 0.911693747874 TCL: atom 1: phi = 0.882527282468 TCL: Center of mass = 22.7567091746 -1.49554701542 0.91144389155 TCL: atom 1: phi = 0.882092146487 TCL: Center of mass = 22.7581029057 -1.49558739433 0.911188595551 TCL: atom 1: phi = 0.881505511308 TCL: Center of mass = 22.7595029133 -1.49565282299 0.910936611064 TCL: atom 1: phi = 0.880918640383 TCL: Center of mass = 22.7609173342 -1.49574124446 0.910663574982 TCL: atom 1: phi = 0.880093559537 TCL: Center of mass = 22.7623448937 -1.49585432906 0.910406219936 TCL: atom 1: phi = 0.879177994889 TCL: Center of mass = 22.7637456508 -1.49598644852 0.910138976794 TCL: atom 1: phi = 0.877984220327 TCL: Center of mass = 22.765136669 -1.49613767492 0.909865236434 TCL: atom 1: phi = 0.876702281331 TCL: Center of mass = 22.7665212451 -1.49629995692 0.909593584132 TCL: atom 1: phi = 0.875219834089 TCL: Center of mass = 22.7679253277 -1.49646282032 0.909329075627 TCL: atom 1: phi = 0.873738229245 TCL: Center of mass = 22.7693124111 -1.49662035072 0.90905712142 TCL: atom 1: phi = 0.872266505303 TCL: Center of mass = 22.7707185348 -1.4967633441 0.908810638959 TCL: atom 1: phi = 0.871081623046 TCL: Center of mass = 22.7721282923 -1.496911726 0.908558552997 TCL: atom 1: phi = 0.870078605542 TCL: Center of mass = 22.7735482539 -1.49706471716 0.90832420338 TCL: atom 1: phi = 0.869499494048 TCL: Center of mass = 22.7750060101 -1.49723189747 0.908063208447 TCL: atom 1: phi = 0.869117076955 TCL: Center of mass = 22.7764912246 -1.49740663027 0.907785185693 TCL: atom 1: phi = 0.86898286713 TCL: Center of mass = 22.7780159311 -1.49756407425 0.907473544038 TCL: atom 1: phi = 0.868942954219 TCL: Center of mass = 22.7795663136 -1.49773514865 0.90712704144 TCL: atom 1: phi = 0.869022806094 TCL: Center of mass = 22.7811219765 -1.49789583511 0.906752431355 TCL: atom 1: phi = 0.86905183685 TCL: Center of mass = 22.782702258 -1.49804565677 0.906349921526 TCL: atom 1: phi = 0.869143068758 TCL: Center of mass = 22.7843143583 -1.49818452212 0.905895194877 TCL: atom 1: phi = 0.869212402052 TCL: Center of mass = 22.7859488139 -1.4983072922 0.905427542939 TCL: atom 1: phi = 0.869424614269 TCL: Center of mass = 22.7875944496 -1.49842214011 0.904942190224 TCL: atom 1: phi = 0.869680112946 TCL: Center of mass = 22.7892402978 -1.49853781781 0.904470410658 TCL: atom 1: phi = 0.870142739242 TCL: Center of mass = 22.790886013 -1.49867982334 0.903994192927 TCL: atom 1: phi = 0.870641113376 TCL: Center of mass = 22.7925355955 -1.4988611825 0.903534179815 TCL: atom 1: phi = 0.871228958299 TCL: Center of mass = 22.7941881372 -1.49905446622 0.903065776934 TCL: atom 1: phi = 0.871702706787 TCL: Center of mass = 22.7958619938 -1.49924933878 0.902609697594 TCL: atom 1: phi = 0.872155461457 TCL: Center of mass = 22.7975193668 -1.49943467603 0.90213798157 TCL: atom 1: phi = 0.872389292214 TCL: Center of mass = 22.7991734532 -1.49958909158 0.901671313001 TCL: atom 1: phi = 0.872579495787 TCL: Center of mass = 22.8007686098 -1.49973286281 0.901199408616 TCL: atom 1: phi = 0.872653594327 TCL: Center of mass = 22.8023156543 -1.49988609683 0.900729939315 TCL: atom 1: phi = 0.872859659299 TCL: Center of mass = 22.803818335 -1.50007583442 0.90024852525 TCL: atom 1: phi = 0.873074013403 TCL: Center of mass = 22.8053109562 -1.50027857592 0.899785685574 TCL: atom 1: phi = 0.873483360068 TCL: Center of mass = 22.8068045518 -1.50054206271 0.899357282697 TCL: atom 1: phi = 0.873851889063 TCL: Center of mass = 22.8083008261 -1.50082205435 0.898960542922 TCL: atom 1: phi = 0.874286456008 TCL: Center of mass = 22.8097686773 -1.50113985795 0.898598962256 TCL: atom 1: phi = 0.874474514981 TCL: Center of mass = 22.8112752774 -1.50147620347 0.898255343884 TCL: atom 1: phi = 0.874556338012 TCL: Center of mass = 22.8127935938 -1.50181365877 0.897941684126 TCL: atom 1: phi = 0.874342176403 TCL: Center of mass = 22.8143334858 -1.50212383207 0.897656185176 TCL: atom 1: phi = 0.874074256634 TCL: Center of mass = 22.8158610204 -1.50241510909 0.897358946636 TCL: atom 1: phi = 0.873556142669 TCL: Center of mass = 22.8173918483 -1.50268307414 0.897041398514 TCL: atom 1: phi = 0.87310000504 TCL: Center of mass = 22.8189205767 -1.50294695238 0.896704613602 TCL: atom 1: phi = 0.872493914879 TCL: Center of mass = 22.8204615786 -1.5032050195 0.896363747105 TCL: atom 1: phi = 0.871986113338 TCL: Center of mass = 22.8220048651 -1.50348819161 0.896024037078 TCL: atom 1: phi = 0.871363092554 TCL: Center of mass = 22.8235728599 -1.50378801981 0.89568099048 TCL: atom 1: phi = 0.87079946149 TCL: Center of mass = 22.8251495954 -1.50412854887 0.895347309876 TCL: atom 1: phi = 0.870014425857 TCL: Center of mass = 22.8267621205 -1.50448003213 0.895006396329 TCL: atom 1: phi = 0.869175253919 TCL: Center of mass = 22.8283800182 -1.50482624281 0.894673560667 TCL: atom 1: phi = 0.868101905301 TCL: Center of mass = 22.8300086493 -1.50512414587 0.894339831886 TCL: atom 1: phi = 0.867083054095 TCL: Center of mass = 22.8316116603 -1.50540499265 0.893985297417 TCL: atom 1: phi = 0.865956398292 TCL: Center of mass = 22.8331896757 -1.50563535286 0.893596958044 TCL: atom 1: phi = 0.86498637092 TCL: Center of mass = 22.8347175742 -1.50583118646 0.89318055911 TCL: atom 1: phi = 0.86408483342 TCL: Center of mass = 22.8362112958 -1.50600302242 0.892748581192 TCL: atom 1: phi = 0.86352980917 TCL: Center of mass = 22.8376734922 -1.50616598418 0.892305558581 TCL: atom 1: phi = 0.863190130334 TCL: Center of mass = 22.8391220369 -1.50634248182 0.891861329191 TCL: atom 1: phi = 0.863214470438 TCL: Center of mass = 22.8405526314 -1.50656295798 0.891421088506 TCL: atom 1: phi = 0.863259766058 TCL: Center of mass = 22.8419741603 -1.50680364292 0.89097953588 TCL: atom 1: phi = 0.863576392697 TCL: Center of mass = 22.8433834468 -1.50706414608 0.890543316438 TCL: atom 1: phi = 0.863830943165 TCL: Center of mass = 22.8448149464 -1.50731842736 0.890099979768 TCL: atom 1: phi = 0.864227543694 TCL: Center of mass = 22.8462261407 -1.50755556822 0.88964743577 TCL: atom 1: phi = 0.86444753224 TCL: Center of mass = 22.8476362808 -1.50776032133 0.889170097494 TCL: atom 1: phi = 0.864844239924 TCL: Center of mass = 22.8490159352 -1.50793626792 0.888665808751 TCL: atom 1: phi = 0.865183956102 TCL: Center of mass = 22.8503951637 -1.50810399867 0.888132693111 TCL: atom 1: phi = 0.86576553998 TCL: Center of mass = 22.8517429274 -1.50827716987 0.887585626835 TCL: atom 1: phi = 0.866307805516 TCL: Center of mass = 22.8530933049 -1.50844637269 0.887018266442 TCL: atom 1: phi = 0.867066963659 TCL: Center of mass = 22.8544243387 -1.50862374329 0.886450656527 TCL: atom 1: phi = 0.867664865712 TCL: Center of mass = 22.8557564983 -1.50881073092 0.885899929961 TCL: atom 1: phi = 0.868370833742 TCL: Center of mass = 22.8570816534 -1.50896364733 0.885379810507 TCL: atom 1: phi = 0.868802622986 TCL: Center of mass = 22.8584232232 -1.50910448159 0.884866034099 TCL: atom 1: phi = 0.869310061849 TCL: Center of mass = 22.8597746661 -1.5092030144 0.884353068297 TCL: atom 1: phi = 0.869592911444 TCL: Center of mass = 22.8611556582 -1.50923793301 0.883848094595 TCL: atom 1: phi = 0.870031293662 TCL: Center of mass = 22.8625407186 -1.50922336587 0.883349837398 TCL: atom 1: phi = 0.870378462436 TCL: Center of mass = 22.8639209831 -1.50916131131 0.882866390868 TCL: atom 1: phi = 0.871034747554 TCL: Center of mass = 22.8652680317 -1.50906739682 0.882394496387 TCL: atom 1: phi = 0.871725842668 TCL: Center of mass = 22.8666354301 -1.50895130456 0.881939294113 TCL: atom 1: phi = 0.872733064195 TCL: Center of mass = 22.8679766079 -1.50882124906 0.881502456465 TCL: atom 1: phi = 0.87374103961 TCL: Center of mass = 22.8693359643 -1.50868436743 0.881103260501 TCL: atom 1: phi = 0.874994962629 TCL: Center of mass = 22.8706864306 -1.50855555499 0.88074052886 TCL: atom 1: phi = 0.876148751278 TCL: Center of mass = 22.8720444255 -1.50844015262 0.88040755004 TCL: atom 1: phi = 0.877335589593 TCL: Center of mass = 22.8733812647 -1.50833646772 0.880106239634 TCL: atom 1: phi = 0.878250711062 TCL: Center of mass = 22.8747429155 -1.50822744529 0.879814080203 TCL: atom 1: phi = 0.879190263671 TCL: Center of mass = 22.8761013976 -1.50812349192 0.879532688825 TCL: atom 1: phi = 0.879889716165 TCL: Center of mass = 22.8774804999 -1.50799342674 0.879251503818 TCL: atom 1: phi = 0.880675769702 TCL: Center of mass = 22.878845181 -1.50788312641 0.878987345505 TCL: atom 1: phi = 0.881310624712 TCL: Center of mass = 22.8802529716 -1.50777908944 0.878724320822 TCL: atom 1: phi = 0.882056353055 TCL: Center of mass = 22.8816455457 -1.50767073406 0.878483469754 TCL: atom 1: phi = 0.882612467772 TCL: Center of mass = 22.8830652068 -1.50756523253 0.878250956456 TCL: atom 1: phi = 0.883188265373 TCL: Center of mass = 22.8844532789 -1.5074692943 0.878050002132 TCL: atom 1: phi = 0.883462301345 TCL: Center of mass = 22.8858285516 -1.50738285584 0.87786509674 TCL: atom 1: phi = 0.883740399722 TCL: Center of mass = 22.8871812314 -1.50730553851 0.877718984918 TCL: atom 1: phi = 0.88371916357 TCL: Center of mass = 22.8885407498 -1.50725724403 0.877576431295 TCL: atom 1: phi = 0.883703544315 TCL: Center of mass = 22.8899030136 -1.50722429436 0.877461340988 TCL: atom 1: phi = 0.883501515072 TCL: Center of mass = 22.8912816179 -1.50719845524 0.877338709214 TCL: atom 1: phi = 0.883486524273 TCL: Center of mass = 22.8926760029 -1.50716300387 0.877263698926 TCL: atom 1: phi = 0.883396447186 LDB: LOAD: AVG 1.67206 MAX 5.42268 MSGS: TOTAL 80 MAXC 8 MAXP 10 None Warning: 1 processors are overloaded due to high background load. LDB: LOAD: AVG 1.67206 MAX 5.42268 MSGS: TOTAL 80 MAXC 8 MAXP 10 Refine TCL: Center of mass = 22.894096518 -1.50712595888 0.877210243171 TCL: atom 1: phi = 0.8836504616 TCL: Center of mass = 22.8954981588 -1.50708887501 0.877206937447 TCL: atom 1: phi = 0.883898422537 WRITING COORDINATES TO DCD FILE AT STEP 16400 WRITING COORDINATES TO RESTART FILE AT STEP 16400 FINISHED WRITING RESTART COORDINATES TIMING: 16400 CPU: 878.287, 0.0544317/step Wall: 1048.45, 0.0681504/step, 0.0681504 hours remaining, 13612 kB of memory in use. ENERGY: 16400 3437.8625 2459.6423 379.9192 40.4572 -44716.8857 4098.0943 0.0000 0.0000 9919.8940 -24381.0162 294.0660 -24234.3538 -24235.0541 293.1774 1723.5332 -663.6185 125000.0000 -477.5621 -484.7173 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16400 WRITING VELOCITIES TO RESTART FILE AT STEP 16400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 22.896885565 -1.50702365815 0.877228899434 TCL: atom 1: phi = 0.884448661713 TCL: Center of mass = 22.8982214411 -1.50694700086 0.877278004618 TCL: atom 1: phi = 0.884984387473 TCL: Center of mass = 22.8995058796 -1.50685077315 0.877351290513 TCL: atom 1: phi = 0.885777913739 TCL: Center of mass = 22.9007627506 -1.50675950621 0.877466293538 TCL: atom 1: phi = 0.886500324462 TCL: Center of mass = 22.9019996088 -1.5066831581 0.877606511059 TCL: atom 1: phi = 0.887462944291 TCL: Center of mass = 22.9032113737 -1.50663018417 0.877784601756 TCL: atom 1: phi = 0.888423937898 TCL: Center of mass = 22.9044417028 -1.50659012315 0.877981817586 TCL: atom 1: phi = 0.889703138101 TCL: Center of mass = 22.9056731846 -1.50655781046 0.878202906359 TCL: atom 1: phi = 0.890966232666 TCL: Center of mass = 22.9069183119 -1.50652896222 0.878421356436 TCL: atom 1: phi = 0.892478905268 TCL: Center of mass = 22.9081834067 -1.50646817007 0.878665554088 TCL: atom 1: phi = 0.893858089309 TCL: Center of mass = 22.909474219 -1.50637461994 0.878939023268 TCL: atom 1: phi = 0.89542895245 TCL: Center of mass = 22.9107265513 -1.50626383616 0.879211820718 TCL: atom 1: phi = 0.896760283756 TCL: Center of mass = 22.9119723113 -1.50612558104 0.879485998122 TCL: atom 1: phi = 0.898104142979 TCL: Center of mass = 22.91317728 -1.50598887584 0.879727185091 TCL: atom 1: phi = 0.899043703049 TCL: Center of mass = 22.9143728284 -1.50588606382 0.879966644563 TCL: atom 1: phi = 0.899998972944 TCL: Center of mass = 22.9155349219 -1.50581160165 0.880224136021 TCL: atom 1: phi = 0.900564640827 TCL: Center of mass = 22.9167232333 -1.50578390779 0.880486206696 TCL: atom 1: phi = 0.901245944053 TCL: Center of mass = 22.917922306 -1.50580069564 0.880759002658 TCL: atom 1: phi = 0.901739898293 TCL: Center of mass = 22.9191598579 -1.50584372838 0.881059290814 TCL: atom 1: phi = 0.902439832691 TCL: Center of mass = 22.9204202497 -1.50587489386 0.88137793741 TCL: atom 1: phi = 0.902925817915 TCL: Center of mass = 22.9217165173 -1.50589704143 0.881724159229 TCL: atom 1: phi = 0.903576845191 TCL: Center of mass = 22.9230167172 -1.50588080675 0.882095342029 TCL: atom 1: phi = 0.903943726103 TCL: Center of mass = 22.9243213204 -1.50585215655 0.882486691939 TCL: atom 1: phi = 0.904437972742 TCL: Center of mass = 22.9255824576 -1.50581968956 0.882885054418 TCL: atom 1: phi = 0.904572018169 TCL: Center of mass = 22.9268259157 -1.50581999159 0.883274317678 TCL: atom 1: phi = 0.904734648611 TCL: Center of mass = 22.9280361278 -1.50584564965 0.883694266012 TCL: atom 1: phi = 0.904550583901 TCL: Center of mass = 22.9292469418 -1.50591473076 0.884125446051 TCL: atom 1: phi = 0.90448601115 TCL: Center of mass = 22.9304461238 -1.50603575768 0.884590940629 TCL: atom 1: phi = 0.904195553024 TCL: Center of mass = 22.9316857535 -1.50619454 0.885067518251 TCL: atom 1: phi = 0.904070927598 TCL: Center of mass = 22.9329495988 -1.50638220709 0.885563380779 TCL: atom 1: phi = 0.903795789161 TCL: Center of mass = 22.9342292804 -1.50654694814 0.886093157541 TCL: atom 1: phi = 0.903680419158 TCL: Center of mass = 22.9354910651 -1.50666110574 0.886613484234 TCL: atom 1: phi = 0.903366760218 TCL: Center of mass = 22.9367740319 -1.50674901496 0.887118243598 TCL: atom 1: phi = 0.903183540216 TCL: Center of mass = 22.9380186959 -1.50681135136 0.887592710089 TCL: atom 1: phi = 0.902783234183 TCL: Center of mass = 22.9392526179 -1.50685902478 0.888050618798 TCL: atom 1: phi = 0.902440876955 TCL: Center of mass = 22.9404222586 -1.5069263902 0.888490813797 TCL: atom 1: phi = 0.901928560587 TCL: Center of mass = 22.941578992 -1.50701284602 0.888912490626 TCL: atom 1: phi = 0.901587398363 TCL: Center of mass = 22.9427249418 -1.50712781889 0.88931954643 TCL: atom 1: phi = 0.9011861062 TCL: Center of mass = 22.9438891826 -1.50727225352 0.889743563244 TCL: atom 1: phi = 0.901115449934 TCL: Center of mass = 22.9450446889 -1.5074265674 0.890165436178 TCL: atom 1: phi = 0.901028716944 TCL: Center of mass = 22.9462108759 -1.50759023541 0.8905885314 TCL: atom 1: phi = 0.901213708602 TCL: Center of mass = 22.9473917552 -1.50773728277 0.89101194275 TCL: atom 1: phi = 0.901336424309 TCL: Center of mass = 22.9485947254 -1.50785208978 0.891455790183 TCL: atom 1: phi = 0.901636406514 TCL: Center of mass = 22.9497962925 -1.50793142074 0.891867506103 TCL: atom 1: phi = 0.901754782955 TCL: Center of mass = 22.9510055845 -1.50799114785 0.892271316535 TCL: atom 1: phi = 0.901931675471 TCL: Center of mass = 22.9521757507 -1.50805747011 0.892661922787 TCL: atom 1: phi = 0.9019603431 TCL: Center of mass = 22.9533047255 -1.50815986648 0.893048678013 TCL: atom 1: phi = 0.90215771547 TCL: Center of mass = 22.9543938711 -1.50830083395 0.893440315378 TCL: atom 1: phi = 0.902298329416 TCL: Center of mass = 22.9554631464 -1.50848338059 0.893869080171 TCL: atom 1: phi = 0.902627458646 TCL: Center of mass = 22.9565284082 -1.50870165542 0.894315989124 TCL: atom 1: phi = 0.902873282711 TCL: Center of mass = 22.9575968932 -1.50895023221 0.894790955005 TCL: atom 1: phi = 0.903256059861 TCL: Center of mass = 22.9586992123 -1.50918809467 0.895250563183 TCL: atom 1: phi = 0.903412366673 TCL: Center of mass = 22.9598408218 -1.5094179334 0.895706439596 TCL: atom 1: phi = 0.903535759309 TCL: Center of mass = 22.9610075879 -1.50961242294 0.896142020522 TCL: atom 1: phi = 0.903287125821 TCL: Center of mass = 22.962192363 -1.50978763823 0.896541751409 TCL: atom 1: phi = 0.902968716608 TCL: Center of mass = 22.9633897238 -1.5099389051 0.896882991169 TCL: atom 1: phi = 0.902417131473 TCL: Center of mass = 22.9645792632 -1.51008604685 0.897192900314 TCL: atom 1: phi = 0.901909612404 TCL: Center of mass = 22.9657527905 -1.51023288421 0.897445726755 TCL: atom 1: phi = 0.901293108904 TCL: Center of mass = 22.966908332 -1.51039782486 0.897675585826 TCL: atom 1: phi = 0.900894061496 TCL: Center of mass = 22.968052333 -1.51055847965 0.897874200927 TCL: atom 1: phi = 0.90043537732 TCL: Center of mass = 22.969197212 -1.51073651549 0.898061949088 TCL: atom 1: phi = 0.900173541166 TCL: Center of mass = 22.9703217301 -1.51089405309 0.898209963981 TCL: atom 1: phi = 0.89982034898 TCL: Center of mass = 22.9714494832 -1.51104259642 0.898352175674 TCL: atom 1: phi = 0.899577791677 TCL: Center of mass = 22.9726052029 -1.51116465546 0.898484939036 TCL: atom 1: phi = 0.899207536536 TCL: Center of mass = 22.9737819815 -1.51125304943 0.898617892282 TCL: atom 1: phi = 0.898877909398 TCL: Center of mass = 22.974976228 -1.51129786394 0.898727806614 TCL: atom 1: phi = 0.898449803297 TCL: Center of mass = 22.9761834613 -1.51130899457 0.898820889643 TCL: atom 1: phi = 0.898196986033 TCL: Center of mass = 22.9773910795 -1.5112850548 0.898917492819 TCL: atom 1: phi = 0.897954565707 TCL: Center of mass = 22.9785931901 -1.51125121716 0.899008000109 TCL: atom 1: phi = 0.897905834922 TCL: Center of mass = 22.9797630475 -1.51119961867 0.899126208387 TCL: atom 1: phi = 0.897945429581 TCL: Center of mass = 22.9809370567 -1.51113790416 0.899259444887 TCL: atom 1: phi = 0.898189370484 TCL: Center of mass = 22.9820812413 -1.5110691786 0.899442553135 TCL: atom 1: phi = 0.898377199735 TCL: Center of mass = 22.9832249042 -1.5110093279 0.899676677826 TCL: atom 1: phi = 0.898613827862 TCL: Center of mass = 22.9843787514 -1.51096289261 0.899926668782 TCL: atom 1: phi = 0.898648658103 TCL: Center of mass = 22.9855524941 -1.51095872795 0.900198448513 TCL: atom 1: phi = 0.898709913973 TCL: Center of mass = 22.9867417737 -1.51098093006 0.900499432056 TCL: atom 1: phi = 0.898542437841 TCL: Center of mass = 22.9879782798 -1.51102635727 0.900814317096 TCL: atom 1: phi = 0.898481123685 TCL: Center of mass = 22.9892349252 -1.51106845579 0.901127118839 TCL: atom 1: phi = 0.898408527659 TCL: Center of mass = 22.9905241727 -1.51109608782 0.901452338009 TCL: atom 1: phi = 0.898555251669 TCL: Center of mass = 22.9918129454 -1.51111701578 0.901769089649 TCL: atom 1: phi = 0.898706930747 TCL: Center of mass = 22.9930980361 -1.51114511601 0.902103247535 TCL: atom 1: phi = 0.899070350705 TCL: Center of mass = 22.9943649851 -1.51118366214 0.902420107493 TCL: atom 1: phi = 0.899356882664 TCL: Center of mass = 22.9956056655 -1.51124637185 0.902745638251 TCL: atom 1: phi = 0.899666528292 TCL: Center of mass = 22.996838874 -1.51134201202 0.903075038895 TCL: atom 1: phi = 0.899819774581 TCL: Center of mass = 22.9980724868 -1.51146950557 0.90341650711 TCL: atom 1: phi = 0.899985510196 TCL: Center of mass = 22.9993205975 -1.51161715629 0.903738340799 TCL: atom 1: phi = 0.899974145092 TCL: Center of mass = 23.0006208628 -1.51176522345 0.904061354852 TCL: atom 1: phi = 0.899950713523 TCL: Center of mass = 23.0019492692 -1.51189615538 0.90435396619 TCL: atom 1: phi = 0.899806328044 TCL: Center of mass = 23.0033079375 -1.51200405443 0.904631407398 TCL: atom 1: phi = 0.899790841087 TCL: Center of mass = 23.0046647784 -1.5120645061 0.904883968007 TCL: atom 1: phi = 0.899737801435 TCL: Center of mass = 23.006008859 -1.51210934563 0.905112815458 TCL: atom 1: phi = 0.899870508548 TCL: Center of mass = 23.0073100785 -1.5121371468 0.905300637309 TCL: atom 1: phi = 0.899920890171 TCL: Center of mass = 23.0085760593 -1.51216857132 0.90546230175 TCL: atom 1: phi = 0.900133620531 TCL: Center of mass = 23.0097946326 -1.51221134037 0.905587776727 TCL: atom 1: phi = 0.900234504594 TCL: Center of mass = 23.0110033532 -1.51231383129 0.905716006772 TCL: atom 1: phi = 0.900386897018 TCL: Center of mass = 23.0121886483 -1.51244117639 0.905818648975 TCL: atom 1: phi = 0.900438271586 TCL: Center of mass = 23.0133996476 -1.51260053004 0.905943393563 TCL: atom 1: phi = 0.900563721912 TCL: Center of mass = 23.0146297181 -1.51275257617 0.906060502093 TCL: atom 1: phi = 0.900590861028 TCL: Center of mass = 23.0159004958 -1.51289323501 0.906180790052 TCL: atom 1: phi = 0.900809770962 TCL: Center of mass = 23.017164989 -1.51300739174 0.906298127735 TCL: atom 1: phi = 0.901110408939 TIMING: 16500 CPU: 883.699, 0.0541118/step Wall: 1054.79, 0.0633685/step, 0.0616083 hours remaining, 13612 kB of memory in use. ENERGY: 16500 3413.7442 2425.0020 385.7661 41.1623 -44731.3098 4162.1637 0.0000 0.0000 9878.8344 -24424.6370 292.8488 -24279.5224 -24274.7893 292.1324 2097.6324 -229.5988 125000.0000 -430.9520 -433.6298 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16500 WRITING COORDINATES TO DCD FILE AT STEP 16500 WRITING COORDINATES TO RESTART FILE AT STEP 16500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.0184407932 -1.51309333292 0.90641905076 TCL: atom 1: phi = 0.901641742711 TCL: Center of mass = 23.019705272 -1.51315358483 0.906507024035 TCL: atom 1: phi = 0.902156162438 TCL: Center of mass = 23.0209386811 -1.51321016721 0.906582352416 TCL: atom 1: phi = 0.902894799886 TCL: Center of mass = 23.0221362115 -1.51327112346 0.90658745777 TCL: atom 1: phi = 0.903616515372 TCL: Center of mass = 23.023323146 -1.51336006517 0.90660256321 TCL: atom 1: phi = 0.904463685456 TCL: Center of mass = 23.0245025945 -1.51349351556 0.906606841873 TCL: atom 1: phi = 0.90520874946 TCL: Center of mass = 23.0256941205 -1.51366493452 0.906662239733 TCL: atom 1: phi = 0.906070084118 TCL: Center of mass = 23.0268974063 -1.51383329751 0.906733360028 TCL: atom 1: phi = 0.906874740843 TCL: Center of mass = 23.0281274118 -1.5139965858 0.906855627094 TCL: atom 1: phi = 0.907806510335 TCL: Center of mass = 23.0293632671 -1.51410868937 0.906987811725 TCL: atom 1: phi = 0.908689759015 TCL: Center of mass = 23.0306214789 -1.51419834536 0.907170251537 TCL: atom 1: phi = 0.909694868009 TCL: Center of mass = 23.0318573276 -1.51423687942 0.907341888906 TCL: atom 1: phi = 0.910569927201 TCL: Center of mass = 23.0330843644 -1.51427418376 0.90752842792 TCL: atom 1: phi = 0.911479914822 TCL: Center of mass = 23.0342385798 -1.51431879124 0.907687663567 TCL: atom 1: phi = 0.912202466503 TCL: Center of mass = 23.0353594355 -1.51441344675 0.907841185969 TCL: atom 1: phi = 0.912933385916 TCL: Center of mass = 23.0364174318 -1.51456634713 0.90794137427 TCL: atom 1: phi = 0.913420872612 TCL: Center of mass = 23.0374669592 -1.51478054064 0.908052327384 TCL: atom 1: phi = 0.913958529101 TCL: Center of mass = 23.0384749981 -1.5150364151 0.908169415532 TCL: atom 1: phi = 0.914283120365 TCL: Center of mass = 23.0395034142 -1.51531097568 0.908325356222 TCL: atom 1: phi = 0.914703201228 TCL: Center of mass = 23.0405320166 -1.51557864586 0.908475511959 TCL: atom 1: phi = 0.915034927839 TCL: Center of mass = 23.0415766909 -1.51582271456 0.90863549972 TCL: atom 1: phi = 0.915518007675 TCL: Center of mass = 23.0426181516 -1.5160492134 0.908757216249 TCL: atom 1: phi = 0.915908121457 TCL: Center of mass = 23.0436551934 -1.51627899707 0.908878118182 TCL: atom 1: phi = 0.916366835697 TCL: Center of mass = 23.0446446942 -1.51649802632 0.908939094171 TCL: atom 1: phi = 0.916644129597 TCL: Center of mass = 23.045606004 -1.51675351195 0.908978418096 TCL: atom 1: phi = 0.917029328375 TCL: Center of mass = 23.0465278155 -1.51703089524 0.908982126696 TCL: atom 1: phi = 0.917271997534 TCL: Center of mass = 23.0474355355 -1.51734800455 0.908995440806 TCL: atom 1: phi = 0.917630877167 TCL: Center of mass = 23.0483404823 -1.51768781116 0.908986152286 TCL: atom 1: phi = 0.917885669792 TCL: Center of mass = 23.0492754412 -1.5180637585 0.908999558603 TCL: atom 1: phi = 0.91839628517 TCL: Center of mass = 23.0502407587 -1.51840192575 0.909034881905 TCL: atom 1: phi = 0.91893551875 TCL: Center of mass = 23.0512496654 -1.51870874971 0.909125805124 TCL: atom 1: phi = 0.919663162058 TCL: Center of mass = 23.0522898375 -1.51894618084 0.909222516267 TCL: atom 1: phi = 0.920215131677 TCL: Center of mass = 23.0533694811 -1.51916777364 0.909325082641 TCL: atom 1: phi = 0.920859802605 TCL: Center of mass = 23.0544776057 -1.51934919323 0.909417450937 TCL: atom 1: phi = 0.921332421219 TCL: Center of mass = 23.0556080797 -1.51953816235 0.909502322219 TCL: atom 1: phi = 0.921771182759 TCL: Center of mass = 23.0567202524 -1.51975227935 0.909559433233 TCL: atom 1: phi = 0.921964622663 TCL: Center of mass = 23.0578299594 -1.52001572155 0.909620287893 TCL: atom 1: phi = 0.922177326876 TCL: Center of mass = 23.0589406674 -1.52029652715 0.909665684504 TCL: atom 1: phi = 0.922175391175 TCL: Center of mass = 23.0600762908 -1.52058880435 0.909699936724 TCL: atom 1: phi = 0.922355167628 TCL: Center of mass = 23.061215608 -1.52088989423 0.909729455674 TCL: atom 1: phi = 0.922372798755 TCL: Center of mass = 23.0624002763 -1.52118165896 0.909764693337 TCL: atom 1: phi = 0.922472751446 TCL: Center of mass = 23.0636129669 -1.52146469751 0.909800534611 TCL: atom 1: phi = 0.922355284025 TCL: Center of mass = 23.0648617467 -1.52173266338 0.909854371583 TCL: atom 1: phi = 0.922213755268 TCL: Center of mass = 23.0661057978 -1.52199623719 0.909893552119 TCL: atom 1: phi = 0.921744200279 TCL: Center of mass = 23.0673732136 -1.52225857084 0.909952431011 TCL: atom 1: phi = 0.921265199603 TCL: Center of mass = 23.0686255814 -1.52252281576 0.910011239665 TCL: atom 1: phi = 0.920520939461 TCL: Center of mass = 23.0698680597 -1.52281013883 0.910071174927 TCL: atom 1: phi = 0.919831711075 TCL: Center of mass = 23.0710763253 -1.52308582335 0.910122286115 TCL: atom 1: phi = 0.919002745924 TCL: Center of mass = 23.0722507685 -1.52332444254 0.910181335166 TCL: atom 1: phi = 0.918328212571 TCL: Center of mass = 23.0734046338 -1.52353104788 0.910250383016 TCL: atom 1: phi = 0.917567080609 TCL: Center of mass = 23.0745287692 -1.52368262224 0.910306909023 TCL: atom 1: phi = 0.916995646644 TCL: Center of mass = 23.0756424056 -1.52378448939 0.910370187891 TCL: atom 1: phi = 0.916369510935 TCL: Center of mass = 23.0767542589 -1.52385934265 0.910460317714 TCL: atom 1: phi = 0.91590154522 TCL: Center of mass = 23.0778669346 -1.52387462871 0.910564076772 TCL: atom 1: phi = 0.915358108506 TCL: Center of mass = 23.0789867494 -1.52387648883 0.91068655526 TCL: atom 1: phi = 0.914892190238 TCL: Center of mass = 23.0801162598 -1.52389118604 0.910817208767 TCL: atom 1: phi = 0.914313527035 TCL: Center of mass = 23.0812537469 -1.52388005211 0.910963462348 TCL: atom 1: phi = 0.9138676696 TCL: Center of mass = 23.0823825132 -1.52387291901 0.911105917863 TCL: atom 1: phi = 0.913345572311 TCL: Center of mass = 23.0834994185 -1.5238693094 0.911269461487 TCL: atom 1: phi = 0.913024260294 TCL: Center of mass = 23.0845966754 -1.52387313567 0.911439714808 TCL: atom 1: phi = 0.912597357386 TCL: Center of mass = 23.0857049313 -1.52385754984 0.911615283437 TCL: atom 1: phi = 0.912347180519 TCL: Center of mass = 23.0868056786 -1.52383877797 0.911787198875 TCL: atom 1: phi = 0.911975626882 TCL: Center of mass = 23.0879027136 -1.52382939177 0.911951691457 TCL: atom 1: phi = 0.911716979608 TCL: Center of mass = 23.0890320015 -1.52386208114 0.912103258575 TCL: atom 1: phi = 0.911272326139 TCL: Center of mass = 23.090198315 -1.52395147382 0.91225554797 TCL: atom 1: phi = 0.910904966393 TCL: Center of mass = 23.0913977681 -1.52406592545 0.912426424337 TCL: atom 1: phi = 0.91040265849 TCL: Center of mass = 23.0926544472 -1.52422064243 0.912625799884 TCL: atom 1: phi = 0.909938659606 TCL: Center of mass = 23.0939549042 -1.52441218237 0.912827015357 TCL: atom 1: phi = 0.909272857412 TCL: Center of mass = 23.0952749496 -1.52461915219 0.913038168329 TCL: atom 1: phi = 0.908705500617 TCL: Center of mass = 23.0965937995 -1.52482852398 0.913234452363 TCL: atom 1: phi = 0.908043261124 TCL: Center of mass = 23.0978979982 -1.52502957437 0.913444779143 TCL: atom 1: phi = 0.907521812613 TCL: Center of mass = 23.0991387 -1.525244434 0.913636179386 TCL: atom 1: phi = 0.906864214238 TCL: Center of mass = 23.100347955 -1.52547515992 0.913821004604 TCL: atom 1: phi = 0.906343205745 TCL: Center of mass = 23.1015063161 -1.52569989669 0.913990076627 TCL: atom 1: phi = 0.905717362566 TCL: Center of mass = 23.1026655883 -1.52593631906 0.914159897343 TCL: atom 1: phi = 0.905075524597 TCL: Center of mass = 23.103812614 -1.52619112914 0.914347653512 TCL: atom 1: phi = 0.904244864209 TCL: Center of mass = 23.104981652 -1.5264248583 0.914581643177 TCL: atom 1: phi = 0.903461499401 TCL: Center of mass = 23.1061714384 -1.5266471251 0.914834070135 TCL: atom 1: phi = 0.902494892709 TCL: Center of mass = 23.1073670638 -1.52682577548 0.915117476534 TCL: atom 1: phi = 0.90155860042 TCL: Center of mass = 23.1085605725 -1.5269535232 0.915417369033 TCL: atom 1: phi = 0.90056667771 TCL: Center of mass = 23.1097357103 -1.5270234356 0.915715999633 TCL: atom 1: phi = 0.899723335715 TCL: Center of mass = 23.1108690811 -1.52705538297 0.915999420107 TCL: atom 1: phi = 0.898877865109 TCL: Center of mass = 23.1119765311 -1.5270717543 0.916266382868 TCL: atom 1: phi = 0.898245802092 TCL: Center of mass = 23.113080321 -1.52708608911 0.916500907437 TCL: atom 1: phi = 0.897651861297 TCL: Center of mass = 23.1141785983 -1.52711807634 0.916705267461 TCL: atom 1: phi = 0.897148849948 TCL: Center of mass = 23.1153008506 -1.52717623685 0.916886565395 TCL: atom 1: phi = 0.896567661966 TCL: Center of mass = 23.116487093 -1.52724313193 0.917068549494 TCL: atom 1: phi = 0.896024609682 TCL: Center of mass = 23.1177190962 -1.5273200371 0.917245151692 TCL: atom 1: phi = 0.895428340155 TCL: Center of mass = 23.1189983352 -1.52739871051 0.917435383925 TCL: atom 1: phi = 0.895027475954 TCL: Center of mass = 23.1203222153 -1.52744124116 0.917608684286 TCL: atom 1: phi = 0.89467876661 TCL: Center of mass = 23.1216807945 -1.52746769733 0.91776064908 TCL: atom 1: phi = 0.894567887142 TCL: Center of mass = 23.1230453811 -1.5274909866 0.917858105747 TCL: atom 1: phi = 0.894581604208 TCL: Center of mass = 23.1244196013 -1.52752603718 0.917937348506 TCL: atom 1: phi = 0.894818513165 TCL: Center of mass = 23.1257762692 -1.52758919302 0.9179730668 TCL: atom 1: phi = 0.895075603164 TCL: Center of mass = 23.1271167368 -1.52770175559 0.91798839669 TCL: atom 1: phi = 0.895531908096 TCL: Center of mass = 23.1284685819 -1.52786955675 0.917968974916 TCL: atom 1: phi = 0.895962630427 TCL: Center of mass = 23.1298565898 -1.52806673932 0.917980516272 TCL: atom 1: phi = 0.896574887137 TCL: Center of mass = 23.1312790223 -1.528262377 0.917993639675 TCL: atom 1: phi = 0.897165284453 TCL: Center of mass = 23.132738507 -1.5284456519 0.918051064355 TCL: atom 1: phi = 0.897917707432 TCL: Center of mass = 23.1342132489 -1.52860049324 0.91812611923 TCL: atom 1: phi = 0.89864658401 TIMING: 16600 CPU: 889.098, 0.0539918/step Wall: 1061.24, 0.0645254/step, 0.0609407 hours remaining, 13612 kB of memory in use. ENERGY: 16600 3447.4239 2505.6699 401.4875 44.2340 -45014.7043 4294.3706 0.0000 0.0000 9893.3680 -24428.1505 293.2797 -24281.7979 -24281.1506 293.3903 2349.5494 106.8403 125000.0000 -448.1914 -445.3003 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16600 WRITING COORDINATES TO DCD FILE AT STEP 16600 WRITING COORDINATES TO RESTART FILE AT STEP 16600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.1356890888 -1.52872883156 0.918226265828 TCL: atom 1: phi = 0.899569547113 TCL: Center of mass = 23.1371504526 -1.52882990435 0.918355544817 TCL: atom 1: phi = 0.900401528555 TCL: Center of mass = 23.1385952406 -1.52891633937 0.918494847142 TCL: atom 1: phi = 0.901299574832 TCL: Center of mass = 23.1399817095 -1.52900187352 0.918623622483 TCL: atom 1: phi = 0.901973726955 TCL: Center of mass = 23.141326565 -1.52907147421 0.918761548487 TCL: atom 1: phi = 0.902518592245 TCL: Center of mass = 23.1426442636 -1.52916396761 0.918881344001 TCL: atom 1: phi = 0.902702674785 TCL: Center of mass = 23.1439762633 -1.52925140895 0.919022397151 TCL: atom 1: phi = 0.902708818672 TCL: Center of mass = 23.1453216713 -1.52935636277 0.91919437577 TCL: atom 1: phi = 0.902369203309 TCL: Center of mass = 23.1466924418 -1.52944117216 0.919387144866 TCL: atom 1: phi = 0.901921236745 TCL: Center of mass = 23.1480802723 -1.5295188764 0.919580549511 TCL: atom 1: phi = 0.901207318852 TCL: Center of mass = 23.1495037992 -1.52956560939 0.919808862563 TCL: atom 1: phi = 0.900447732191 TCL: Center of mass = 23.1509129499 -1.52958140266 0.920036336626 TCL: atom 1: phi = 0.89950830549 TCL: Center of mass = 23.1523317706 -1.52957005885 0.920249145208 TCL: atom 1: phi = 0.898587930595 TCL: Center of mass = 23.1537192571 -1.52957029532 0.920414275056 TCL: atom 1: phi = 0.897554642057 TCL: Center of mass = 23.1551000227 -1.52958596097 0.920549748452 TCL: atom 1: phi = 0.89658292397 TCL: Center of mass = 23.1564504044 -1.52963587289 0.920650488639 TCL: atom 1: phi = 0.895460335781 TCL: Center of mass = 23.157796183 -1.52971227098 0.920738315919 TCL: atom 1: phi = 0.894466001238 TCL: Center of mass = 23.1591357446 -1.52980610848 0.920825761927 TCL: atom 1: phi = 0.893401968221 TCL: Center of mass = 23.1604690352 -1.52992095319 0.92094112428 TCL: atom 1: phi = 0.89255544638 TCL: Center of mass = 23.1617864433 -1.53004232522 0.921076699401 TCL: atom 1: phi = 0.891758493791 TCL: Center of mass = 23.1631101259 -1.53016290421 0.921209625156 TCL: atom 1: phi = 0.891259088965 TCL: Center of mass = 23.1644186624 -1.530269943 0.921332846482 TCL: atom 1: phi = 0.890922895161 TCL: Center of mass = 23.1657307857 -1.5303752214 0.921468241773 TCL: atom 1: phi = 0.890890872392 TCL: Center of mass = 23.1670213639 -1.53049682206 0.921596119906 TCL: atom 1: phi = 0.890904011025 TCL: Center of mass = 23.1683044579 -1.53060427924 0.921733463782 TCL: atom 1: phi = 0.891063660095 TCL: Center of mass = 23.1695648399 -1.53072025507 0.921880089011 TCL: atom 1: phi = 0.891152785716 TCL: Center of mass = 23.1707847342 -1.53083036492 0.922052148621 TCL: atom 1: phi = 0.891365186754 TCL: Center of mass = 23.1719637889 -1.53095420321 0.922270781414 TCL: atom 1: phi = 0.891558628608 TCL: Center of mass = 23.1731222416 -1.53106529556 0.922519730835 TCL: atom 1: phi = 0.89193647013 TCL: Center of mass = 23.1742447357 -1.53116664329 0.922805259885 TCL: atom 1: phi = 0.892315619496 TCL: Center of mass = 23.1753699207 -1.53124397949 0.92311427908 TCL: atom 1: phi = 0.892932120478 TCL: Center of mass = 23.1765085886 -1.53133172431 0.923404904116 TCL: atom 1: phi = 0.893526236275 TCL: Center of mass = 23.1776587815 -1.53138807668 0.923664131157 TCL: atom 1: phi = 0.894235265582 TCL: Center of mass = 23.1788188945 -1.53144582601 0.923904590379 TCL: atom 1: phi = 0.894842341535 TCL: Center of mass = 23.1799810312 -1.53147459954 0.924111877899 TCL: atom 1: phi = 0.895457325036 TCL: Center of mass = 23.1811280206 -1.53146607438 0.92430822513 TCL: atom 1: phi = 0.89586085963 TCL: Center of mass = 23.182261278 -1.53141698954 0.924490696592 TCL: atom 1: phi = 0.89626021218 TCL: Center of mass = 23.183375607 -1.53134412115 0.924668843588 TCL: atom 1: phi = 0.896421664946 TCL: Center of mass = 23.1844999164 -1.53123574193 0.924844413654 TCL: atom 1: phi = 0.896640569345 TCL: Center of mass = 23.1856087006 -1.53110645176 0.92503642621 TCL: atom 1: phi = 0.896824694224 TCL: Center of mass = 23.1867377476 -1.53098601735 0.925248782933 TCL: atom 1: phi = 0.897228640683 TCL: Center of mass = 23.1878623188 -1.53085445016 0.92546179332 TCL: atom 1: phi = 0.897624146411 TCL: Center of mass = 23.1889935953 -1.53074262393 0.925672841856 TCL: atom 1: phi = 0.898173300685 TCL: Center of mass = 23.1901503347 -1.53062927857 0.925885137076 TCL: atom 1: phi = 0.898607441335 TCL: Center of mass = 23.1913326963 -1.53054639502 0.926096376813 TCL: atom 1: phi = 0.899076522134 TCL: Center of mass = 23.1925359993 -1.53048160148 0.926315123172 TCL: atom 1: phi = 0.899334716982 TCL: Center of mass = 23.1937518719 -1.53040988164 0.926553183214 TCL: atom 1: phi = 0.899467144248 TCL: Center of mass = 23.1949461984 -1.5303337737 0.926799488462 TCL: atom 1: phi = 0.89928633849 TCL: Center of mass = 23.1961453662 -1.53023302062 0.92704791557 TCL: atom 1: phi = 0.898993851552 TCL: Center of mass = 23.1973179075 -1.53011550734 0.927292794805 TCL: atom 1: phi = 0.898444664012 TCL: Center of mass = 23.1984676393 -1.53002120739 0.927545934926 TCL: atom 1: phi = 0.897954775867 TCL: Center of mass = 23.1995847821 -1.52993795744 0.927770163014 TCL: atom 1: phi = 0.897354173088 TCL: Center of mass = 23.2006991059 -1.52987216294 0.927972751484 TCL: atom 1: phi = 0.896906978379 TCL: Center of mass = 23.2018119085 -1.52982964962 0.928135277137 TCL: atom 1: phi = 0.896446729497 TCL: Center of mass = 23.2029434458 -1.52980549196 0.928293858716 TCL: atom 1: phi = 0.89605804499 TCL: Center of mass = 23.204099687 -1.52978401992 0.928431725358 TCL: atom 1: phi = 0.895613373197 TCL: Center of mass = 23.205297931 -1.52977302578 0.928565448792 TCL: atom 1: phi = 0.895205849433 TCL: Center of mass = 23.2065013254 -1.52975221149 0.928688003252 TCL: atom 1: phi = 0.894798857812 TCL: Center of mass = 23.2077316376 -1.52971564828 0.92883372307 TCL: atom 1: phi = 0.894511823971 TCL: Center of mass = 23.2089289909 -1.5296288475 0.928985677544 TCL: atom 1: phi = 0.894309087946 TCL: Center of mass = 23.210121751 -1.52951853032 0.929145307429 TCL: atom 1: phi = 0.894415114572 TCL: Center of mass = 23.2112663984 -1.52939531933 0.929282233569 TCL: atom 1: phi = 0.89477262451 TCL: Center of mass = 23.2124130059 -1.52928097353 0.929387559809 TCL: atom 1: phi = 0.895482607613 TCL: Center of mass = 23.2135447652 -1.52918668395 0.929470553009 TCL: atom 1: phi = 0.896346960925 TCL: Center of mass = 23.2146966425 -1.52911088371 0.929574270389 TCL: atom 1: phi = 0.89737925654 TCL: Center of mass = 23.2158793368 -1.52904155034 0.92968667475 TCL: atom 1: phi = 0.898459378549 TCL: Center of mass = 23.2171217437 -1.52896402713 0.929827195825 TCL: atom 1: phi = 0.899539460952 TCL: Center of mass = 23.2183933141 -1.52886216441 0.930000874763 TCL: atom 1: phi = 0.900453398627 TCL: Center of mass = 23.2197128989 -1.52877324204 0.930216504934 TCL: atom 1: phi = 0.901394972023 TCL: Center of mass = 23.2210193291 -1.52866929752 0.930452834363 TCL: atom 1: phi = 0.902249721438 TCL: Center of mass = 23.2223090697 -1.52855789399 0.930692828359 TCL: atom 1: phi = 0.903132349084 TCL: Center of mass = 23.2235509793 -1.52845467856 0.930928042726 TCL: atom 1: phi = 0.903980027177 TCL: Center of mass = 23.2247632167 -1.52837766426 0.931153752566 TCL: atom 1: phi = 0.904932606149 TCL: Center of mass = 23.2259420153 -1.52832862738 0.931337060764 TCL: atom 1: phi = 0.905870788304 TCL: Center of mass = 23.2271421574 -1.52829687823 0.931511063787 TCL: atom 1: phi = 0.90689211584 TCL: Center of mass = 23.2283488946 -1.52830765792 0.931670265141 TCL: atom 1: phi = 0.907823337301 TCL: Center of mass = 23.2296023268 -1.52834726787 0.931838972444 TCL: atom 1: phi = 0.908757690665 TCL: Center of mass = 23.2308769706 -1.52839207857 0.932002570485 TCL: atom 1: phi = 0.90959058638 TCL: Center of mass = 23.2321747488 -1.5284341018 0.932176774525 TCL: atom 1: phi = 0.910468212002 TCL: Center of mass = 23.2334533077 -1.52848041543 0.932348987531 TCL: atom 1: phi = 0.911336396783 TCL: Center of mass = 23.2347274651 -1.52851932421 0.932533760435 TCL: atom 1: phi = 0.912431491117 TCL: Center of mass = 23.2359671898 -1.52854571431 0.932710693436 TCL: atom 1: phi = 0.913647596334 TCL: Center of mass = 23.2371863626 -1.52855606527 0.932887225261 TCL: atom 1: phi = 0.915043445627 TCL: Center of mass = 23.2383678472 -1.52856886901 0.933042698026 TCL: atom 1: phi = 0.916519705621 TCL: Center of mass = 23.2395445431 -1.52857149553 0.933186914445 TCL: atom 1: phi = 0.918113456827 TCL: Center of mass = 23.2407226537 -1.52856354177 0.933338910702 TCL: atom 1: phi = 0.919586108465 TCL: Center of mass = 23.241923482 -1.52853969705 0.933504828017 TCL: atom 1: phi = 0.920970309994 TCL: Center of mass = 23.2431482795 -1.52849794491 0.933677080833 TCL: atom 1: phi = 0.922033393451 TCL: Center of mass = 23.2444182851 -1.52843599532 0.933885987009 TCL: atom 1: phi = 0.922893647058 TCL: Center of mass = 23.2457050691 -1.52835095263 0.934098204493 TCL: atom 1: phi = 0.923438694172 TCL: Center of mass = 23.2470054574 -1.52826427153 0.934327329458 TCL: atom 1: phi = 0.923834154047 TCL: Center of mass = 23.2482982687 -1.52815820443 0.934550800357 TCL: atom 1: phi = 0.92410136887 TCL: Center of mass = 23.2495904264 -1.52808408659 0.934752002792 TCL: atom 1: phi = 0.924311068662 TCL: Center of mass = 23.2508838099 -1.52803408832 0.93493324589 TCL: atom 1: phi = 0.924315111567 TCL: Center of mass = 23.2521851064 -1.52798451744 0.935101880927 TCL: atom 1: phi = 0.924249659628 TCL: Center of mass = 23.253474164 -1.52794339278 0.935250522698 TCL: atom 1: phi = 0.923984016982 TCL: Center of mass = 23.2547867662 -1.52791118019 0.93541839881 TCL: atom 1: phi = 0.923681379113 TCL: Center of mass = 23.2560696326 -1.52789367345 0.935604163385 TCL: atom 1: phi = 0.923186629944 TCL: Center of mass = 23.257345584 -1.52788232554 0.935809939613 TCL: atom 1: phi = 0.922751622294 TCL: Center of mass = 23.2586204171 -1.52787074849 0.936028994699 TCL: atom 1: phi = 0.922299913983 WRITING COORDINATES TO DCD FILE AT STEP 16700 WRITING COORDINATES TO RESTART FILE AT STEP 16700 FINISHED WRITING RESTART COORDINATES TIMING: 16700 CPU: 894.514, 0.0541618/step Wall: 1067.74, 0.0650389/step, 0.059619 hours remaining, 13612 kB of memory in use. ENERGY: 16700 3424.7261 2487.8906 383.6901 43.4327 -44939.0055 4245.6087 0.0000 0.0000 9949.7628 -24403.8946 294.9515 -24257.4630 -24257.9972 293.7268 2251.4812 -243.2595 125000.0000 -326.7077 -323.3406 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16700 WRITING VELOCITIES TO RESTART FILE AT STEP 16700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.2598982994 -1.52786669125 0.93624236848 TCL: atom 1: phi = 0.922028658425 TCL: Center of mass = 23.261180889 -1.52787319635 0.936455909714 TCL: atom 1: phi = 0.921877279932 TCL: Center of mass = 23.2624799093 -1.52788784201 0.936660490412 TCL: atom 1: phi = 0.921970120859 TCL: Center of mass = 23.2637917337 -1.52792682661 0.936874795562 TCL: atom 1: phi = 0.922172202332 TCL: Center of mass = 23.2651269133 -1.52795649383 0.937087489335 TCL: atom 1: phi = 0.92254206373 TCL: Center of mass = 23.2664560057 -1.52798491228 0.937296939419 TCL: atom 1: phi = 0.922910226356 TCL: Center of mass = 23.2677897099 -1.52801273503 0.937532703113 TCL: atom 1: phi = 0.923395311665 TCL: Center of mass = 23.2690895747 -1.52805067872 0.937768255962 TCL: atom 1: phi = 0.92374599738 TCL: Center of mass = 23.270379324 -1.52807723457 0.938012288449 TCL: atom 1: phi = 0.924137998487 TCL: Center of mass = 23.271657979 -1.52810853274 0.938250609322 TCL: atom 1: phi = 0.92441629058 TCL: Center of mass = 23.2729363673 -1.52816860119 0.938485219844 TCL: atom 1: phi = 0.924752184273 TCL: Center of mass = 23.2742321688 -1.52823928836 0.938683308021 TCL: atom 1: phi = 0.925081378192 TCL: Center of mass = 23.275538356 -1.52831671056 0.938871982458 TCL: atom 1: phi = 0.925491062461 TCL: Center of mass = 23.2768755685 -1.52840099545 0.939023540179 TCL: atom 1: phi = 0.925820055804 TCL: Center of mass = 23.2782555486 -1.5284619724 0.939153771643 TCL: atom 1: phi = 0.926176018056 TCL: Center of mass = 23.2796334687 -1.5284786077 0.939249673629 TCL: atom 1: phi = 0.926385096737 TCL: Center of mass = 23.2810142508 -1.52845567615 0.939323252377 TCL: atom 1: phi = 0.926580027637 TCL: Center of mass = 23.2823804315 -1.52839202132 0.93938274695 TCL: atom 1: phi = 0.926676173613 TCL: Center of mass = 23.2837312325 -1.52829551283 0.93945727124 TCL: atom 1: phi = 0.926792462338 TCL: Center of mass = 23.2850510891 -1.52818826237 0.939522076967 TCL: atom 1: phi = 0.926882136682 TCL: Center of mass = 23.2863546429 -1.5280849809 0.939610712695 TCL: atom 1: phi = 0.927099363981 TCL: Center of mass = 23.2876685322 -1.52797380413 0.939669823337 TCL: atom 1: phi = 0.927433844937 TCL: Center of mass = 23.2889976581 -1.52786144903 0.939702674595 TCL: atom 1: phi = 0.92800089495 TCL: Center of mass = 23.2903597299 -1.52774781904 0.939742184975 TCL: atom 1: phi = 0.928750228259 TCL: Center of mass = 23.2917838281 -1.52764242649 0.939796734811 TCL: atom 1: phi = 0.929695652834 TCL: Center of mass = 23.2932202924 -1.52751706009 0.939857357032 TCL: atom 1: phi = 0.930609441128 TCL: Center of mass = 23.2946781398 -1.52737954431 0.939957422688 TCL: atom 1: phi = 0.931528016149 TCL: Center of mass = 23.29614368 -1.52722400983 0.940070616833 TCL: atom 1: phi = 0.932251179155 TCL: Center of mass = 23.2976263124 -1.52708348208 0.940227110002 TCL: atom 1: phi = 0.932914198569 TCL: Center of mass = 23.2990767993 -1.5269728516 0.940391243122 TCL: atom 1: phi = 0.933288611374 TCL: Center of mass = 23.3005188366 -1.52693010725 0.940580772814 TCL: atom 1: phi = 0.933539590158 TCL: Center of mass = 23.3019505242 -1.52694123852 0.94077017448 TCL: atom 1: phi = 0.933566289531 TCL: Center of mass = 23.3033937155 -1.52698740651 0.940968630672 TCL: atom 1: phi = 0.933551307249 TCL: Center of mass = 23.3048545272 -1.52706173166 0.941163925279 TCL: atom 1: phi = 0.933366910788 TCL: Center of mass = 23.3063792812 -1.52714203541 0.94137713065 TCL: atom 1: phi = 0.933116921474 TCL: Center of mass = 23.3079402991 -1.52721568453 0.941570659746 TCL: atom 1: phi = 0.932683370698 TCL: Center of mass = 23.3095383152 -1.5272528255 0.941773411012 TCL: atom 1: phi = 0.932131150632 TCL: Center of mass = 23.3111011556 -1.52725830479 0.941963521944 TCL: atom 1: phi = 0.931313085346 TCL: Center of mass = 23.3126494352 -1.52721880246 0.942171273889 TCL: atom 1: phi = 0.930371084448 TCL: Center of mass = 23.3141293934 -1.52715161785 0.942357602945 TCL: atom 1: phi = 0.929303897071 TCL: Center of mass = 23.3155734939 -1.52707401731 0.942536389063 TCL: atom 1: phi = 0.928342466021 TCL: Center of mass = 23.3169681243 -1.52699730451 0.942664604861 TCL: atom 1: phi = 0.927440253592 TCL: Center of mass = 23.31835618 -1.52691813669 0.942772693227 TCL: atom 1: phi = 0.926760002106 TCL: Center of mass = 23.3197224441 -1.52682584616 0.94282728081 TCL: atom 1: phi = 0.926187911635 TCL: Center of mass = 23.321131821 -1.52670957821 0.942870411983 TCL: atom 1: phi = 0.92585448266 TCL: Center of mass = 23.3225821573 -1.52656503858 0.942908181612 TCL: atom 1: phi = 0.925578709408 TCL: Center of mass = 23.3240740017 -1.52639307267 0.94294603579 TCL: atom 1: phi = 0.925396663623 TCL: Center of mass = 23.3255847551 -1.52616224285 0.942960582204 TCL: atom 1: phi = 0.925162881278 TCL: Center of mass = 23.3271103073 -1.5259113375 0.942990869033 TCL: atom 1: phi = 0.92488774238 TCL: Center of mass = 23.3286349018 -1.52567303632 0.943004587359 TCL: atom 1: phi = 0.92442761586 TCL: Center of mass = 23.3301539437 -1.52546079481 0.942990948072 TCL: atom 1: phi = 0.923902308893 TCL: Center of mass = 23.3316387425 -1.52527770473 0.942947110465 TCL: atom 1: phi = 0.923234832809 TCL: Center of mass = 23.3331333715 -1.52512818204 0.942867907184 TCL: atom 1: phi = 0.922607432584 TCL: Center of mass = 23.3346501323 -1.52502632095 0.942747429191 TCL: atom 1: phi = 0.921868845977 TCL: Center of mass = 23.3361999114 -1.52493739879 0.942600658072 TCL: atom 1: phi = 0.921132996931 TCL: Center of mass = 23.337780819 -1.5248665857 0.942435932602 TCL: atom 1: phi = 0.920264949392 TCL: Center of mass = 23.3393970471 -1.52482504362 0.942273523472 TCL: atom 1: phi = 0.919320681635 TCL: Center of mass = 23.3410135187 -1.52478736516 0.94210061309 TCL: atom 1: phi = 0.918219492434 TCL: Center of mass = 23.3426407947 -1.52475809789 0.941926768285 TCL: atom 1: phi = 0.917110049706 TCL: Center of mass = 23.3442343585 -1.52473564502 0.941742106409 TCL: atom 1: phi = 0.91593885075 TCL: Center of mass = 23.3458215128 -1.52473346814 0.941532376461 TCL: atom 1: phi = 0.914902467204 TCL: Center of mass = 23.3473603139 -1.52475710837 0.941269445035 TCL: atom 1: phi = 0.913939941359 TCL: Center of mass = 23.3488744359 -1.52479529122 0.940987060507 TCL: atom 1: phi = 0.91320628732 TCL: Center of mass = 23.3503547278 -1.52483794826 0.940655803378 TCL: atom 1: phi = 0.912614783441 TCL: Center of mass = 23.3518615899 -1.52487962993 0.940310366515 TCL: atom 1: phi = 0.912207603391 TCL: Center of mass = 23.353351252 -1.52490434118 0.939989777783 TCL: atom 1: phi = 0.911808539188 TCL: Center of mass = 23.3548777285 -1.52490766897 0.939711024954 TCL: atom 1: phi = 0.911566126449 TCL: Center of mass = 23.3564067921 -1.5248689644 0.939449036824 TCL: atom 1: phi = 0.911300456153 TCL: Center of mass = 23.3579704565 -1.52481666567 0.939206855327 TCL: atom 1: phi = 0.911171224055 TCL: Center of mass = 23.3595351863 -1.5247657654 0.938983622444 TCL: atom 1: phi = 0.911032031937 TCL: Center of mass = 23.3611099409 -1.52472702642 0.938787898104 TCL: atom 1: phi = 0.911015564285 TCL: Center of mass = 23.3626682185 -1.52466109166 0.93859950604 TCL: atom 1: phi = 0.910945037424 TCL: Center of mass = 23.3642345766 -1.52460249072 0.938441165371 TCL: atom 1: phi = 0.911036097222 TCL: Center of mass = 23.3657798501 -1.52451421518 0.938280752483 TCL: atom 1: phi = 0.911124746166 TCL: Center of mass = 23.3673404255 -1.52439814269 0.938147470346 TCL: atom 1: phi = 0.91135811512 TCL: Center of mass = 23.368921967 -1.52424832793 0.938040944909 TCL: atom 1: phi = 0.911462088483 TCL: Center of mass = 23.3705270675 -1.5240970289 0.937947248663 TCL: atom 1: phi = 0.911579885505 TCL: Center of mass = 23.3721528814 -1.52394328745 0.937891515775 TCL: atom 1: phi = 0.91153043892 TCL: Center of mass = 23.3738372228 -1.52379468434 0.937826225629 TCL: atom 1: phi = 0.91143366227 TCL: Center of mass = 23.3755446431 -1.5236555429 0.937775129411 TCL: atom 1: phi = 0.911085095122 TCL: Center of mass = 23.3772504059 -1.52356340583 0.937721950231 TCL: atom 1: phi = 0.910703384367 TCL: Center of mass = 23.3789707019 -1.52349576331 0.93766718839 TCL: atom 1: phi = 0.910192264855 TCL: Center of mass = 23.3807215087 -1.52346956996 0.937605755472 TCL: atom 1: phi = 0.909805015612 TCL: Center of mass = 23.38243577 -1.52346607423 0.937529525582 TCL: atom 1: phi = 0.909425101816 TCL: Center of mass = 23.3841412584 -1.52347127167 0.937418627031 TCL: atom 1: phi = 0.909234481759 TCL: Center of mass = 23.3858271886 -1.52346326235 0.937306968204 TCL: atom 1: phi = 0.90901719416 TCL: Center of mass = 23.3874964343 -1.52347397902 0.937182679182 TCL: atom 1: phi = 0.908939836316 TCL: Center of mass = 23.3891070583 -1.52349065751 0.937088171715 TCL: atom 1: phi = 0.908733616567 TCL: Center of mass = 23.3907245445 -1.52353013477 0.937013323983 TCL: atom 1: phi = 0.908645174018 TCL: Center of mass = 23.3923116925 -1.52358968574 0.936956425858 TCL: atom 1: phi = 0.908462364855 TCL: Center of mass = 23.3938978785 -1.52368962711 0.936934743205 TCL: atom 1: phi = 0.908476074328 TCL: Center of mass = 23.395455543 -1.52378342873 0.936933975336 TCL: atom 1: phi = 0.908427239793 TCL: Center of mass = 23.3970125637 -1.52388578783 0.936951278008 TCL: atom 1: phi = 0.908495493401 TCL: Center of mass = 23.3985382032 -1.52397359037 0.936992908354 TCL: atom 1: phi = 0.908521266268 TCL: Center of mass = 23.400064338 -1.52402219473 0.937035731912 TCL: atom 1: phi = 0.908691303769 TCL: Center of mass = 23.4015530836 -1.52403704582 0.937085479824 TCL: atom 1: phi = 0.908812766199 TCL: Center of mass = 23.4030444002 -1.52401062702 0.937170657213 TCL: atom 1: phi = 0.909090209318 TCL: Center of mass = 23.4045031502 -1.52394690052 0.937272132312 TCL: atom 1: phi = 0.909307626303 TCL: Center of mass = 23.405957443 -1.52387893496 0.937388841771 TCL: atom 1: phi = 0.909645114572 TCL: Center of mass = 23.4074012246 -1.52380772978 0.937522324104 TCL: atom 1: phi = 0.90995778739 TIMING: 16800 CPU: 899.912, 0.0539818/step Wall: 1074.12, 0.0637338/step, 0.0566522 hours remaining, 13612 kB of memory in use. ENERGY: 16800 3428.0693 2487.5736 400.8531 40.9800 -44817.6331 4052.9240 0.0000 0.0000 9986.9578 -24420.2753 296.0541 -24273.5181 -24275.1327 294.1038 1887.2329 -800.3625 125000.0000 -359.5217 -362.5320 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16800 WRITING COORDINATES TO DCD FILE AT STEP 16800 WRITING COORDINATES TO RESTART FILE AT STEP 16800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.408871556 -1.52374244066 0.937659709565 TCL: atom 1: phi = 0.910457746274 TCL: Center of mass = 23.4103716085 -1.52365902699 0.937814074618 TCL: atom 1: phi = 0.910966392038 TCL: Center of mass = 23.4119184222 -1.52356059599 0.937971952628 TCL: atom 1: phi = 0.911739302565 TCL: Center of mass = 23.4134846567 -1.52342823168 0.938123190115 TCL: atom 1: phi = 0.912570683802 TCL: Center of mass = 23.4151010062 -1.52326260426 0.938301835976 TCL: atom 1: phi = 0.913652998687 TCL: Center of mass = 23.4167437434 -1.52307790366 0.938477058399 TCL: atom 1: phi = 0.914702808174 TCL: Center of mass = 23.4184225728 -1.52288399973 0.93865064733 TCL: atom 1: phi = 0.91591737651 TCL: Center of mass = 23.4200821392 -1.52269314794 0.938814605371 TCL: atom 1: phi = 0.917013519829 TCL: Center of mass = 23.4217432315 -1.52252252957 0.938976033512 TCL: atom 1: phi = 0.918115419619 TCL: Center of mass = 23.4233855293 -1.52238943246 0.939146176521 TCL: atom 1: phi = 0.918941985688 TCL: Center of mass = 23.4250336442 -1.52231871438 0.939322887132 TCL: atom 1: phi = 0.919683634611 TCL: Center of mass = 23.4266625999 -1.52228793382 0.939498158936 TCL: atom 1: phi = 0.920074217485 TCL: Center of mass = 23.428312265 -1.52229873082 0.939676423258 TCL: atom 1: phi = 0.920380522915 TCL: Center of mass = 23.429947662 -1.52232580902 0.939852984717 TCL: atom 1: phi = 0.920359312175 TCL: Center of mass = 23.4315847349 -1.52236479034 0.940049173942 TCL: atom 1: phi = 0.920286590305 TCL: Center of mass = 23.4331830622 -1.52238211333 0.940279316729 TCL: atom 1: phi = 0.919895414414 TCL: Center of mass = 23.434775728 -1.52236635899 0.940510365935 TCL: atom 1: phi = 0.919376589076 TCL: Center of mass = 23.4363187766 -1.52233535061 0.94075265936 TCL: atom 1: phi = 0.918505986834 TCL: Center of mass = 23.4378248493 -1.52229519506 0.941000231587 TCL: atom 1: phi = 0.917492736369 TCL: Center of mass = 23.4392598798 -1.52225485932 0.941251406282 TCL: atom 1: phi = 0.916123825173 TCL: Center of mass = 23.4406649665 -1.52222572648 0.941504166645 TCL: atom 1: phi = 0.914620866297 TCL: Center of mass = 23.4420433763 -1.52218282367 0.941742076057 TCL: atom 1: phi = 0.91289525131 TCL: Center of mass = 23.4434391515 -1.52213722354 0.941959682879 TCL: atom 1: phi = 0.91126627027 TCL: Center of mass = 23.4448290263 -1.5220571443 0.942174407291 TCL: atom 1: phi = 0.909541012053 TCL: Center of mass = 23.4462521663 -1.52194671731 0.942389881924 TCL: atom 1: phi = 0.907965540659 TCL: Center of mass = 23.4476998496 -1.52175607646 0.942574887962 TCL: atom 1: phi = 0.906388081466 TCL: Center of mass = 23.4491856477 -1.52154159744 0.94273054634 TCL: atom 1: phi = 0.905009785962 TCL: Center of mass = 23.4506696045 -1.52128365117 0.942829468311 TCL: atom 1: phi = 0.903654931623 TCL: Center of mass = 23.45217148 -1.52103924625 0.942904169786 TCL: atom 1: phi = 0.902494589942 TCL: Center of mass = 23.4536532984 -1.52078990592 0.942937128501 TCL: atom 1: phi = 0.901355833561 TCL: Center of mass = 23.4551419622 -1.52056031087 0.942963109968 TCL: atom 1: phi = 0.900462806738 TCL: Center of mass = 23.4566088898 -1.52034898386 0.94297098304 TCL: atom 1: phi = 0.899641066718 TCL: Center of mass = 23.4580794278 -1.52015610416 0.942956954617 TCL: atom 1: phi = 0.899018886265 TCL: Center of mass = 23.4595586239 -1.51996343524 0.942924052931 TCL: atom 1: phi = 0.898472082168 TCL: Center of mass = 23.461061467 -1.51977020381 0.942913582859 TCL: atom 1: phi = 0.898176174077 TCL: Center of mass = 23.4625579998 -1.51955397124 0.942925822602 TCL: atom 1: phi = 0.897935253281 TCL: Center of mass = 23.4640795725 -1.51935430477 0.942965063935 TCL: atom 1: phi = 0.897989385484 TCL: Center of mass = 23.4655785719 -1.51916145482 0.943041253825 TCL: atom 1: phi = 0.898099406175 TCL: Center of mass = 23.467062761 -1.51899267639 0.943134871439 TCL: atom 1: phi = 0.898404557414 TCL: Center of mass = 23.4684947836 -1.51881730252 0.943228083339 TCL: atom 1: phi = 0.898745485036 TCL: Center of mass = 23.4699144581 -1.51864071312 0.943317367878 TCL: atom 1: phi = 0.899201303826 TCL: Center of mass = 23.4713022942 -1.51843727439 0.94340469053 TCL: atom 1: phi = 0.899582596037 TCL: Center of mass = 23.472701712 -1.51822801958 0.943497738001 TCL: atom 1: phi = 0.900079104267 TCL: Center of mass = 23.4740771003 -1.51799140126 0.943594410864 TCL: atom 1: phi = 0.900510580309 TCL: Center of mass = 23.4754650963 -1.51773491932 0.943711199006 TCL: atom 1: phi = 0.90101452071 TCL: Center of mass = 23.4768239374 -1.51744936349 0.943817850597 TCL: atom 1: phi = 0.901443602265 TCL: Center of mass = 23.4781843439 -1.51716541985 0.943940127536 TCL: atom 1: phi = 0.901988164069 TCL: Center of mass = 23.4795321607 -1.51687721946 0.944060136451 TCL: atom 1: phi = 0.902431144118 TCL: Center of mass = 23.480894331 -1.51659797708 0.944163827796 TCL: atom 1: phi = 0.902985191049 TCL: Center of mass = 23.4822300478 -1.51631955499 0.944231027712 TCL: atom 1: phi = 0.90329893544 TCL: Center of mass = 23.4835843005 -1.51607952453 0.944272101482 TCL: atom 1: phi = 0.903608171795 TCL: Center of mass = 23.4849371711 -1.51583813976 0.944280911582 TCL: atom 1: phi = 0.90372757086 TCL: Center of mass = 23.486309078 -1.5155759058 0.944254932745 TCL: atom 1: phi = 0.903839299625 TCL: Center of mass = 23.4877055581 -1.51530802138 0.944208643199 TCL: atom 1: phi = 0.903720854815 TCL: Center of mass = 23.4891315148 -1.51502464576 0.944149618829 TCL: atom 1: phi = 0.903637736213 TCL: Center of mass = 23.490568692 -1.51473721661 0.944089489808 TCL: atom 1: phi = 0.903291500968 TCL: Center of mass = 23.4920229908 -1.5144645986 0.944028603685 TCL: atom 1: phi = 0.902947386936 TCL: Center of mass = 23.493479701 -1.51423136985 0.943974277807 TCL: atom 1: phi = 0.902434898458 TCL: Center of mass = 23.4949642714 -1.5140385565 0.943918051905 TCL: atom 1: phi = 0.901969001767 TCL: Center of mass = 23.4964316044 -1.51388768097 0.943869440697 TCL: atom 1: phi = 0.901372892243 TCL: Center of mass = 23.4979154923 -1.51377010069 0.943829937689 TCL: atom 1: phi = 0.900827271269 TCL: Center of mass = 23.4994102552 -1.5136687798 0.943811846985 TCL: atom 1: phi = 0.900196930851 TCL: Center of mass = 23.5009164416 -1.51358830035 0.943833925276 TCL: atom 1: phi = 0.89967932316 TCL: Center of mass = 23.5024431494 -1.51348939405 0.943890215582 TCL: atom 1: phi = 0.899077073058 TCL: Center of mass = 23.5039897451 -1.51337441183 0.9439758294 TCL: atom 1: phi = 0.898681506458 TCL: Center of mass = 23.505510799 -1.5132473467 0.944082841948 TCL: atom 1: phi = 0.898302849046 TCL: Center of mass = 23.5070464382 -1.51311080917 0.94419359353 TCL: atom 1: phi = 0.898181028416 TCL: Center of mass = 23.5085405468 -1.51298749989 0.944326713939 TCL: atom 1: phi = 0.898129626392 TCL: Center of mass = 23.51002928 -1.51288596595 0.944476178194 TCL: atom 1: phi = 0.898369092587 TCL: Center of mass = 23.5114979216 -1.51281549797 0.944606392459 TCL: atom 1: phi = 0.898669979547 TCL: Center of mass = 23.5129766349 -1.512775083 0.944729526497 TCL: atom 1: phi = 0.899163581664 TCL: Center of mass = 23.5144683349 -1.51274373872 0.944802213726 TCL: atom 1: phi = 0.899671191846 TCL: Center of mass = 23.5159842963 -1.51270523377 0.944861444928 TCL: atom 1: phi = 0.900251674277 TCL: Center of mass = 23.5175277883 -1.51267115415 0.944898033326 TCL: atom 1: phi = 0.900712198179 TCL: Center of mass = 23.5191061042 -1.51262685684 0.944925249131 TCL: atom 1: phi = 0.90125228023 TCL: Center of mass = 23.5206995236 -1.51256962548 0.944920692497 TCL: atom 1: phi = 0.901658011239 TCL: Center of mass = 23.5223178109 -1.51252261749 0.944904757258 TCL: atom 1: phi = 0.902084912751 TCL: Center of mass = 23.5239081599 -1.51249459489 0.944869087941 TCL: atom 1: phi = 0.90238768847 TCL: Center of mass = 23.5254789703 -1.51250096811 0.944794739607 TCL: atom 1: phi = 0.902692150003 TCL: Center of mass = 23.5270238537 -1.51252878271 0.944682917919 TCL: atom 1: phi = 0.902767922239 TCL: Center of mass = 23.5285912178 -1.51259116636 0.944556520447 TCL: atom 1: phi = 0.902782520947 TCL: Center of mass = 23.5301363081 -1.51266086168 0.944396330782 TCL: atom 1: phi = 0.902558579106 TCL: Center of mass = 23.5317187303 -1.5127329216 0.944220252066 TCL: atom 1: phi = 0.902282260433 TCL: Center of mass = 23.5333035276 -1.51277529945 0.944061751309 TCL: atom 1: phi = 0.901725650123 TCL: Center of mass = 23.5349105434 -1.51279168526 0.943916886404 TCL: atom 1: phi = 0.901077180957 TCL: Center of mass = 23.5365035227 -1.5127741955 0.943803931156 TCL: atom 1: phi = 0.900161660398 TCL: Center of mass = 23.5381056538 -1.5127428777 0.943712284369 TCL: atom 1: phi = 0.899203863273 TCL: Center of mass = 23.5396483781 -1.51271191604 0.94365317465 TCL: atom 1: phi = 0.898014991827 TCL: Center of mass = 23.5411833209 -1.51270033959 0.943632831124 TCL: atom 1: phi = 0.896905538109 TCL: Center of mass = 23.5426656757 -1.51269288603 0.943615084411 TCL: atom 1: phi = 0.895730377609 TCL: Center of mass = 23.5441264654 -1.51270296837 0.943616837764 TCL: atom 1: phi = 0.894688130619 TCL: Center of mass = 23.5455695944 -1.51273156572 0.94364895894 TCL: atom 1: phi = 0.893642474613 TCL: Center of mass = 23.5470386309 -1.51278215721 0.943728473349 TCL: atom 1: phi = 0.892720950539 TCL: Center of mass = 23.548492377 -1.51281405815 0.943845276434 TCL: atom 1: phi = 0.891716782866 TCL: Center of mass = 23.549984526 -1.51286234773 0.944024194101 TCL: atom 1: phi = 0.89078938963 TCL: Center of mass = 23.5514725263 -1.51291286713 0.944220448278 TCL: atom 1: phi = 0.889731413386 TCL: Center of mass = 23.5529935753 -1.51297403987 0.944422170048 TCL: atom 1: phi = 0.888814813112 TCL: Center of mass = 23.554508836 -1.5130121693 0.944643558639 TCL: atom 1: phi = 0.887960660122 TCL: Center of mass = 23.5560476646 -1.5130724885 0.944859267512 TCL: atom 1: phi = 0.887349312018 TCL: Center of mass = 23.5575659565 -1.51312431761 0.945046921933 TCL: atom 1: phi = 0.886824136136 WRITING COORDINATES TO DCD FILE AT STEP 16900 WRITING COORDINATES TO RESTART FILE AT STEP 16900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16900 FINISHED WRITING RESTART VELOCITIES TIMING: 16900 CPU: 905.325, 0.0541318/step Wall: 1080.59, 0.0646941/step, 0.0557089 hours remaining, 13612 kB of memory in use. ENERGY: 16900 3403.1875 2546.9503 401.5693 35.2619 -44903.4404 4180.2508 0.0000 0.0000 9860.2373 -24475.9833 292.2976 -24330.5082 -24329.3116 293.0699 2388.4805 -348.1518 125000.0000 -595.3784 -598.4603 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16900 TCL: Center of mass = 23.5590897419 -1.51319633117 0.945211055124 TCL: atom 1: phi = 0.886609380431 TCL: Center of mass = 23.560586744 -1.51327352405 0.945344915211 TCL: atom 1: phi = 0.886501229869 TCL: Center of mass = 23.5621196187 -1.51334996259 0.945454773142 TCL: atom 1: phi = 0.886623071233 TCL: Center of mass = 23.5636312028 -1.51339885837 0.945554640936 TCL: atom 1: phi = 0.886707178186 TCL: Center of mass = 23.5651670706 -1.51342141678 0.945647009252 TCL: atom 1: phi = 0.886969825818 TCL: Center of mass = 23.5666708431 -1.51337888639 0.945743027501 TCL: atom 1: phi = 0.887087399325 TCL: Center of mass = 23.5681641444 -1.51333274264 0.945837508172 TCL: atom 1: phi = 0.887351104591 TCL: Center of mass = 23.5696319601 -1.51324045602 0.945907812079 TCL: atom 1: phi = 0.887508147933 TCL: Center of mass = 23.5710991807 -1.51316503256 0.94595423838 TCL: atom 1: phi = 0.887774165501 TCL: Center of mass = 23.5725233114 -1.51306507046 0.945949537787 TCL: atom 1: phi = 0.887932897739 TCL: Center of mass = 23.5739385181 -1.51295037981 0.945923304219 TCL: atom 1: phi = 0.888176787882 TCL: Center of mass = 23.5753185476 -1.512778178 0.945870987266 TCL: atom 1: phi = 0.888284197772 TCL: Center of mass = 23.5766622456 -1.5125893176 0.945797019974 TCL: atom 1: phi = 0.888453121434 TCL: Center of mass = 23.5779434354 -1.51235153012 0.945714509642 TCL: atom 1: phi = 0.888442776815 TCL: Center of mass = 23.5791777409 -1.51210444378 0.945636628203 TCL: atom 1: phi = 0.888400354685 TCL: Center of mass = 23.5803522269 -1.51182772208 0.945550971132 TCL: atom 1: phi = 0.888092506726 TCL: Center of mass = 23.5814950312 -1.51156447585 0.945487889818 TCL: atom 1: phi = 0.887600267691 TCL: Center of mass = 23.5825916008 -1.51130066726 0.945422049622 TCL: atom 1: phi = 0.886820331713 TCL: Center of mass = 23.5836760453 -1.5110897676 0.945353770347 TCL: atom 1: phi = 0.886016506644 TCL: Center of mass = 23.5847201644 -1.51086845934 0.945260110116 TCL: atom 1: phi = 0.885122593365 TCL: Center of mass = 23.5857817231 -1.51067145312 0.945164027377 TCL: atom 1: phi = 0.884368335608 TCL: Center of mass = 23.586834837 -1.51044230326 0.945055016379 TCL: atom 1: phi = 0.883626901259 TCL: Center of mass = 23.5879200742 -1.51022256801 0.944928841483 TCL: atom 1: phi = 0.883059796775 TCL: Center of mass = 23.5890192518 -1.50999109226 0.944802266675 TCL: atom 1: phi = 0.882458169641 TCL: Center of mass = 23.5901453887 -1.50980457136 0.944686301209 TCL: atom 1: phi = 0.881966559088 TCL: Center of mass = 23.5912458956 -1.50963713469 0.944532633244 TCL: atom 1: phi = 0.881271473973 TCL: Center of mass = 23.5923719222 -1.50948513397 0.944392514135 TCL: atom 1: phi = 0.880611170099 TCL: Center of mass = 23.5934714811 -1.50936038011 0.944246423794 TCL: atom 1: phi = 0.879773600923 TCL: Center of mass = 23.5946057872 -1.50927325624 0.944110354694 TCL: atom 1: phi = 0.879004260455 TCL: Center of mass = 23.5957462029 -1.50916446339 0.943989858374 TCL: atom 1: phi = 0.87819844379 TCL: Center of mass = 23.5969375409 -1.50903234579 0.943884946068 TCL: atom 1: phi = 0.877661064151 TCL: Center of mass = 23.5981283347 -1.50885830211 0.943795012357 TCL: atom 1: phi = 0.87718963911 TCL: Center of mass = 23.5993615914 -1.50864131643 0.943729260309 TCL: atom 1: phi = 0.876961178151 TCL: Center of mass = 23.6005832366 -1.50835583345 0.943713050615 TCL: atom 1: phi = 0.876757269273 TCL: Center of mass = 23.601809787 -1.50805161024 0.943729212634 TCL: atom 1: phi = 0.8767381254 TCL: Center of mass = 23.6029692769 -1.50772687904 0.94377428971 TCL: atom 1: phi = 0.87661286943 TCL: Center of mass = 23.6041120457 -1.50740244632 0.943820641443 TCL: atom 1: phi = 0.876597402356 TCL: Center of mass = 23.6051706791 -1.50707847217 0.943869266471 TCL: atom 1: phi = 0.876546747542 TCL: Center of mass = 23.6061988992 -1.50680416642 0.943928430865 TCL: atom 1: phi = 0.876623982597 TCL: Center of mass = 23.6071728904 -1.50654357366 0.943999099367 TCL: atom 1: phi = 0.876729237341 TCL: Center of mass = 23.6081422179 -1.50628555297 0.944065743015 TCL: atom 1: phi = 0.877089324173 TCL: Center of mass = 23.6091002024 -1.50602633075 0.944142175422 TCL: atom 1: phi = 0.87752681762 TCL: Center of mass = 23.6100901349 -1.50576014427 0.944218356923 TCL: atom 1: phi = 0.878266948208 TCL: Center of mass = 23.6110800689 -1.50547234748 0.94429567309 TCL: atom 1: phi = 0.879020931601 TCL: Center of mass = 23.6120758497 -1.50518303275 0.944360290707 TCL: atom 1: phi = 0.879956676783 TCL: Center of mass = 23.6130496285 -1.50490310243 0.944393857976 TCL: atom 1: phi = 0.880767639983 TCL: Center of mass = 23.6139900869 -1.50465607917 0.944393058807 TCL: atom 1: phi = 0.881641071204 TCL: Center of mass = 23.6148955094 -1.5044365515 0.94432394411 TCL: atom 1: phi = 0.882300761906 TCL: Center of mass = 23.6157906721 -1.50426727114 0.944215653412 TCL: atom 1: phi = 0.882987857495 TCL: Center of mass = 23.6166516468 -1.50410846414 0.94407171366 TCL: atom 1: phi = 0.883482171517 TCL: Center of mass = 23.6175276919 -1.50395761124 0.943925837805 TCL: atom 1: phi = 0.884024118919 TCL: Center of mass = 23.6184230645 -1.50378348568 0.943819586296 TCL: atom 1: phi = 0.884417006752 TCL: Center of mass = 23.6193461243 -1.50359096842 0.943735484365 TCL: atom 1: phi = 0.884936470238 TCL: Center of mass = 23.6202843702 -1.50336698052 0.943700005465 TCL: atom 1: phi = 0.885348560686 TCL: Center of mass = 23.6212595199 -1.50312579317 0.943717597994 TCL: atom 1: phi = 0.885904512782 TCL: Center of mass = 23.6222065078 -1.50285974269 0.943792443497 TCL: atom 1: phi = 0.886283277859 TCL: Center of mass = 23.6231380748 -1.50260765183 0.943880143922 TCL: atom 1: phi = 0.886762176304 TCL: Center of mass = 23.6240167362 -1.50236557639 0.943995353869 TCL: atom 1: phi = 0.887025779569 TCL: Center of mass = 23.6248668332 -1.50217649978 0.944110590867 TCL: atom 1: phi = 0.887369073851 TCL: Center of mass = 23.6256517416 -1.50198870856 0.944224563634 TCL: atom 1: phi = 0.887593065705 TCL: Center of mass = 23.6264285294 -1.50180765351 0.944383334089 TCL: atom 1: phi = 0.887992161588 TCL: Center of mass = 23.6272148751 -1.50164495456 0.944585073951 TCL: atom 1: phi = 0.8884043675 TCL: Center of mass = 23.6280287417 -1.50148169165 0.944827989898 TCL: atom 1: phi = 0.889136278276 TCL: Center of mass = 23.628867635 -1.50131699244 0.945109008429 TCL: atom 1: phi = 0.889899450973 TCL: Center of mass = 23.6297377231 -1.50114649605 0.945404108071 TCL: atom 1: phi = 0.89092009927 TCL: Center of mass = 23.6306132373 -1.50098816868 0.945711343397 TCL: atom 1: phi = 0.891791907635 TCL: Center of mass = 23.6314787722 -1.50084720742 0.94597583161 TCL: atom 1: phi = 0.892819324818 TCL: Center of mass = 23.6323287398 -1.50074625936 0.946190302405 TCL: atom 1: phi = 0.893523320234 TCL: Center of mass = 23.633198871 -1.50067959079 0.946354143194 TCL: atom 1: phi = 0.894313957394 TCL: Center of mass = 23.6341083149 -1.50065522681 0.946472636516 TCL: atom 1: phi = 0.894757876836 TCL: Center of mass = 23.6350369185 -1.50065475539 0.946551727531 TCL: atom 1: phi = 0.895259367961 TCL: Center of mass = 23.6359977063 -1.50066705579 0.946624275437 TCL: atom 1: phi = 0.895510068841 TCL: Center of mass = 23.6370135784 -1.50066270394 0.946718781084 TCL: atom 1: phi = 0.895986480694 TCL: Center of mass = 23.6380812908 -1.50063234846 0.946860624062 TCL: atom 1: phi = 0.896262696267 TCL: Center of mass = 23.6391837881 -1.500614794 0.947022305059 TCL: atom 1: phi = 0.896738808625 TCL: Center of mass = 23.6403253221 -1.50058007718 0.947225715417 TCL: atom 1: phi = 0.896935226129 TCL: Center of mass = 23.6415165072 -1.5005622664 0.947448838487 TCL: atom 1: phi = 0.897234532496 TCL: Center of mass = 23.6427192155 -1.50057553832 0.947683254169 TCL: atom 1: phi = 0.897252748493 TCL: Center of mass = 23.6439398634 -1.50057367396 0.947912636332 TCL: atom 1: phi = 0.89734597915 TCL: Center of mass = 23.6451411187 -1.50057126929 0.948152477796 TCL: atom 1: phi = 0.897184847195 TCL: Center of mass = 23.646336724 -1.50057233007 0.948404778406 TCL: atom 1: phi = 0.89720235413 TCL: Center of mass = 23.647534554 -1.5005362904 0.948682176943 TCL: atom 1: phi = 0.897092105689 TCL: Center of mass = 23.6487367994 -1.50048774046 0.94898051241 TCL: atom 1: phi = 0.897258844888 TCL: Center of mass = 23.6499380643 -1.50044819439 0.949310096875 TCL: atom 1: phi = 0.897324208512 TCL: Center of mass = 23.6511348129 -1.50040006651 0.949661804358 TCL: atom 1: phi = 0.897606814087 TCL: Center of mass = 23.6523031748 -1.50037163288 0.950021099136 TCL: atom 1: phi = 0.897634931106 TCL: Center of mass = 23.6534516792 -1.50038407622 0.950365366804 TCL: atom 1: phi = 0.897761938038 TCL: Center of mass = 23.6545734374 -1.50044462915 0.950717920393 TCL: atom 1: phi = 0.897516706653 TCL: Center of mass = 23.6557109965 -1.50053797074 0.951055299576 TCL: atom 1: phi = 0.8972467869 TCL: Center of mass = 23.6568473508 -1.50066509961 0.951371349619 TCL: atom 1: phi = 0.896606455893 TCL: Center of mass = 23.6579968021 -1.50081399853 0.951663247891 TCL: atom 1: phi = 0.896025037193 TCL: Center of mass = 23.6591614118 -1.50097036214 0.951951248117 TCL: atom 1: phi = 0.895177413185 TCL: Center of mass = 23.6603483424 -1.50112493106 0.952248971702 TCL: atom 1: phi = 0.894519666754 TCL: Center of mass = 23.6615525659 -1.50126761292 0.952551126541 TCL: atom 1: phi = 0.893722404707 TCL: Center of mass = 23.6627806803 -1.50141483124 0.952852450454 TCL: atom 1: phi = 0.893162724958 TCL: Center of mass = 23.6640344401 -1.50157469859 0.953177201754 TCL: atom 1: phi = 0.89254689867 TCL: Center of mass = 23.6653413141 -1.50174116427 0.953520838506 TCL: atom 1: phi = 0.892194393881 TCL: Center of mass = 23.6666794273 -1.5019296337 0.953888407589 TCL: atom 1: phi = 0.891769769466 TCL: Center of mass = 23.6680620785 -1.50214017866 0.954289028316 TCL: atom 1: phi = 0.891553712738 TCL: Center of mass = 23.669486024 -1.50238514316 0.954724234018 TCL: atom 1: phi = 0.891267814125 WRITING COORDINATES TO DCD FILE AT STEP 17000 WRITING COORDINATES TO RESTART FILE AT STEP 17000 FINISHED WRITING RESTART COORDINATES TIMING: 17000 CPU: 910.739, 0.0541318/step Wall: 1086.99, 0.063997/step, 0.0533308 hours remaining, 13612 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 17000 3410.1156 2518.7025 395.3810 46.1421 -44698.0783 4093.1797 0.0000 0.0000 9775.1118 -24459.4456 289.7741 -24314.1145 -24311.8822 293.4051 1824.4585 -725.3972 125000.0000 -454.2306 -456.7663 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17000 WRITING VELOCITIES TO RESTART FILE AT STEP 17000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.6709536635 -1.50265628247 0.955201005266 TCL: atom 1: phi = 0.891259584541 TCL: Center of mass = 23.6724448287 -1.50292339477 0.955740319359 TCL: atom 1: phi = 0.891226757032 TCL: Center of mass = 23.6739560034 -1.50317253244 0.95631672055 TCL: atom 1: phi = 0.891513816868 TCL: Center of mass = 23.6754784127 -1.50342727903 0.956943125913 TCL: atom 1: phi = 0.891771448271 TCL: Center of mass = 23.6769996267 -1.50369655943 0.957603570822 TCL: atom 1: phi = 0.892291196515 TCL: Center of mass = 23.6784964095 -1.50399850523 0.958295489107 TCL: atom 1: phi = 0.892684277248 TCL: Center of mass = 23.6799769794 -1.50433079986 0.958971121202 TCL: atom 1: phi = 0.893220593229 TCL: Center of mass = 23.6814429876 -1.50470251387 0.959630308809 TCL: atom 1: phi = 0.893402738004 TCL: Center of mass = 23.6828993972 -1.50511542432 0.960279014734 TCL: atom 1: phi = 0.893538158573 TCL: Center of mass = 23.6843350423 -1.5055367446 0.960913339443 TCL: atom 1: phi = 0.893244164235 TCL: Center of mass = 23.6857832186 -1.50595598815 0.961561004201 TCL: atom 1: phi = 0.892928748567 TCL: Center of mass = 23.6872141562 -1.50637985175 0.96220374574 TCL: atom 1: phi = 0.892276160324 TCL: Center of mass = 23.6886597773 -1.50681095902 0.962844530148 TCL: atom 1: phi = 0.891725871871 TCL: Center of mass = 23.6900959487 -1.50721862506 0.963464252442 TCL: atom 1: phi = 0.890914238227 TCL: Center of mass = 23.6915274259 -1.50762466906 0.964067083533 TCL: atom 1: phi = 0.890202337461 TCL: Center of mass = 23.6929288554 -1.50802978548 0.964626635192 TCL: atom 1: phi = 0.889275652096 TCL: Center of mass = 23.6943021891 -1.50845191216 0.965127184805 TCL: atom 1: phi = 0.888479439066 TCL: Center of mass = 23.6956337784 -1.50885253906 0.965619799023 TCL: atom 1: phi = 0.88752163841 TCL: Center of mass = 23.6969642332 -1.5092421043 0.966088640196 TCL: atom 1: phi = 0.886781987419 TCL: Center of mass = 23.6982655386 -1.50960350365 0.96655960704 TCL: atom 1: phi = 0.886011047125 TCL: Center of mass = 23.6996013073 -1.50996761312 0.967041631276 TCL: atom 1: phi = 0.885544961644 TCL: Center of mass = 23.7009424997 -1.51027606102 0.967561506377 TCL: atom 1: phi = 0.885080070532 TCL: Center of mass = 23.7023262239 -1.51056648757 0.968129648284 TCL: atom 1: phi = 0.884957207709 TCL: Center of mass = 23.7037141346 -1.51079197129 0.968744644516 TCL: atom 1: phi = 0.884890335771 TCL: Center of mass = 23.7051055876 -1.5110054308 0.969389445348 TCL: atom 1: phi = 0.885108903752 TCL: Center of mass = 23.7064599885 -1.51121731065 0.970053894043 TCL: atom 1: phi = 0.885315011016 TCL: Center of mass = 23.7078188217 -1.51144459103 0.970733732713 TCL: atom 1: phi = 0.885681832523 TCL: Center of mass = 23.709154858 -1.51167247412 0.971404108296 TCL: atom 1: phi = 0.885941769142 TCL: Center of mass = 23.7104649158 -1.51189034227 0.972072146901 TCL: atom 1: phi = 0.886294196885 TCL: Center of mass = 23.7117827771 -1.51209913859 0.972735849473 TCL: atom 1: phi = 0.886487297172 TCL: Center of mass = 23.7131460421 -1.51230420403 0.973423050309 TCL: atom 1: phi = 0.886790199846 TCL: Center of mass = 23.7145266601 -1.51249253226 0.974122335195 TCL: atom 1: phi = 0.886899355393 TCL: Center of mass = 23.7159288576 -1.5126796933 0.974854275432 TCL: atom 1: phi = 0.887195692886 TCL: Center of mass = 23.7173241236 -1.51284304403 0.975603581037 TCL: atom 1: phi = 0.887338442298 TCL: Center of mass = 23.7187149495 -1.5130230666 0.976376462974 TCL: atom 1: phi = 0.887645202731 TCL: Center of mass = 23.7201046092 -1.51323337189 0.97713061864 TCL: atom 1: phi = 0.88785282535 TCL: Center of mass = 23.7214944218 -1.51345261041 0.977875882707 TCL: atom 1: phi = 0.888241609055 TCL: Center of mass = 23.722886101 -1.51368879088 0.978563262255 TCL: atom 1: phi = 0.888553671732 TCL: Center of mass = 23.7242886889 -1.51393050515 0.97922371522 TCL: atom 1: phi = 0.889081161842 TCL: Center of mass = 23.7256919603 -1.51414185541 0.979837566089 TCL: atom 1: phi = 0.889530751944 TCL: Center of mass = 23.7271034186 -1.51433085505 0.980440695309 TCL: atom 1: phi = 0.890162686306 TCL: Center of mass = 23.7285371684 -1.51449704421 0.981038890948 TCL: atom 1: phi = 0.890680317541 TCL: Center of mass = 23.7299733733 -1.51463382327 0.981638434291 TCL: atom 1: phi = 0.89134075107 TCL: Center of mass = 23.7313882272 -1.51475827724 0.982237130102 TCL: atom 1: phi = 0.891906389044 TCL: Center of mass = 23.7328194861 -1.51489011542 0.982835480969 TCL: atom 1: phi = 0.892589793917 TCL: Center of mass = 23.7342578908 -1.51503497352 0.983400600378 TCL: atom 1: phi = 0.893160741431 TCL: Center of mass = 23.7357044344 -1.51521815811 0.983955128579 TCL: atom 1: phi = 0.893853253288 TCL: Center of mass = 23.7371421953 -1.51542262828 0.984481533709 TCL: atom 1: phi = 0.894401679403 TCL: Center of mass = 23.7386024077 -1.51564315124 0.985003211678 TCL: atom 1: phi = 0.895007062112 TCL: Center of mass = 23.7400689813 -1.51584576103 0.985512283197 TCL: atom 1: phi = 0.895361384128 TCL: Center of mass = 23.7415720936 -1.51603996574 0.986013672346 TCL: atom 1: phi = 0.895689154427 TCL: Center of mass = 23.743064595 -1.51622489832 0.986489406456 TCL: atom 1: phi = 0.895760513507 TCL: Center of mass = 23.7445997994 -1.51642927106 0.986964088734 TCL: atom 1: phi = 0.895793862075 TCL: Center of mass = 23.7461419841 -1.5166212004 0.987419629835 TCL: atom 1: phi = 0.895573194391 TCL: Center of mass = 23.7477054809 -1.5168504102 0.9878800919 TCL: atom 1: phi = 0.89534471707 TCL: Center of mass = 23.7492514415 -1.51710748872 0.988307379236 TCL: atom 1: phi = 0.894899755603 TCL: Center of mass = 23.7508252154 -1.51741624548 0.988724885936 TCL: atom 1: phi = 0.894421656164 TCL: Center of mass = 23.7523905589 -1.51776648316 0.989098011073 TCL: atom 1: phi = 0.89373795969 TCL: Center of mass = 23.7539661759 -1.51815277495 0.989460874067 TCL: atom 1: phi = 0.893074216079 TCL: Center of mass = 23.7555373268 -1.51852422306 0.98983413704 TCL: atom 1: phi = 0.892310031661 TCL: Center of mass = 23.7571209931 -1.51885187868 0.99020886334 TCL: atom 1: phi = 0.891666701865 TCL: Center of mass = 23.7586752294 -1.51916516154 0.990599850046 TCL: atom 1: phi = 0.890970583041 TCL: Center of mass = 23.7602307312 -1.51944878875 0.991009039441 TCL: atom 1: phi = 0.890457947004 TCL: Center of mass = 23.7617460924 -1.51969887765 0.991434597314 TCL: atom 1: phi = 0.889952968492 TCL: Center of mass = 23.7632465948 -1.5199463142 0.991882327973 TCL: atom 1: phi = 0.889632107436 TCL: Center of mass = 23.7647060489 -1.52018816462 0.992327391904 TCL: atom 1: phi = 0.889435881766 TCL: Center of mass = 23.7661737118 -1.52044557564 0.992757173983 TCL: atom 1: phi = 0.889479522477 TCL: Center of mass = 23.7675951923 -1.52071612305 0.993194732846 TCL: atom 1: phi = 0.889569208639 TCL: Center of mass = 23.7690057174 -1.52100865813 0.993656851024 TCL: atom 1: phi = 0.889921051665 TCL: Center of mass = 23.7703887419 -1.52130024662 0.994158310303 TCL: atom 1: phi = 0.890312363153 TCL: Center of mass = 23.7717620135 -1.5215940693 0.994701979928 TCL: atom 1: phi = 0.890857612549 TCL: Center of mass = 23.7730880337 -1.52188262592 0.995287550258 TCL: atom 1: phi = 0.891337892337 TCL: Center of mass = 23.7744055983 -1.52218375076 0.995913234542 TCL: atom 1: phi = 0.891937497683 TCL: Center of mass = 23.7756826902 -1.52249125903 0.996546291937 TCL: atom 1: phi = 0.892347757977 TCL: Center of mass = 23.7769515334 -1.52279852634 0.997172351349 TCL: atom 1: phi = 0.892741684446 TCL: Center of mass = 23.7781738986 -1.52311664252 0.997761714429 TCL: atom 1: phi = 0.892953724426 TCL: Center of mass = 23.7794072063 -1.52345841246 0.998333316712 TCL: atom 1: phi = 0.893140400132 TCL: Center of mass = 23.7806488546 -1.52384072062 0.998886005603 TCL: atom 1: phi = 0.893243946293 TCL: Center of mass = 23.7819490337 -1.5242664803 0.999414034538 TCL: atom 1: phi = 0.893491503759 TCL: Center of mass = 23.7832717374 -1.52472371711 0.999930938972 TCL: atom 1: phi = 0.893757225666 TCL: Center of mass = 23.7846371496 -1.52521503758 1.00046065737 TCL: atom 1: phi = 0.894254229504 TCL: Center of mass = 23.7860258099 -1.5256936266 1.00099477642 TCL: atom 1: phi = 0.894803517461 TCL: Center of mass = 23.7874607489 -1.52615059599 1.00155111039 TCL: atom 1: phi = 0.895563409763 TCL: Center of mass = 23.7888910173 -1.52657280519 1.00212516053 TCL: atom 1: phi = 0.896273829936 TCL: Center of mass = 23.7903435797 -1.52699128911 1.00268715791 TCL: atom 1: phi = 0.897067757011 TCL: Center of mass = 23.7918046981 -1.52739489908 1.00320496739 TCL: atom 1: phi = 0.897671371229 TCL: Center of mass = 23.7933104176 -1.52779234139 1.00368538589 TCL: atom 1: phi = 0.898285043667 TCL: Center of mass = 23.794810007 -1.5281785306 1.00414801588 TCL: atom 1: phi = 0.898699184194 TCL: Center of mass = 23.7963345995 -1.52855844748 1.00458263833 TCL: atom 1: phi = 0.899193188531 TCL: Center of mass = 23.7978691779 -1.52890893332 1.00501198517 TCL: atom 1: phi = 0.899518744301 TCL: Center of mass = 23.7994532671 -1.52920427083 1.00545966886 TCL: atom 1: phi = 0.899937957913 TCL: Center of mass = 23.8010478469 -1.52946849789 1.00592398557 TCL: atom 1: phi = 0.900234900184 TCL: Center of mass = 23.8026526541 -1.52970553797 1.0064185079 TCL: atom 1: phi = 0.900597722967 TCL: Center of mass = 23.8042363365 -1.5299285585 1.00692212898 TCL: atom 1: phi = 0.900727725868 TCL: Center of mass = 23.8058136839 -1.53013486141 1.00743748179 TCL: atom 1: phi = 0.900819837849 TCL: Center of mass = 23.8073338997 -1.53033227931 1.00791236873 TCL: atom 1: phi = 0.900654592355 TCL: Center of mass = 23.808846138 -1.53052145561 1.00835602247 TCL: atom 1: phi = 0.90048832481 TCL: Center of mass = 23.8103166874 -1.53070711514 1.00873161483 TCL: atom 1: phi = 0.900181901894 TCL: Center of mass = 23.8117871244 -1.53088665418 1.0090945454 TCL: atom 1: phi = 0.90002214971 TCL: Center of mass = 23.8132492831 -1.53105234847 1.00943054074 TCL: atom 1: phi = 0.899879633871 WRITING COORDINATES TO DCD FILE AT STEP 17100 WRITING COORDINATES TO RESTART FILE AT STEP 17100 FINISHED WRITING RESTART COORDINATES TIMING: 17100 CPU: 916.155, 0.0541618/step Wall: 1093.39, 0.0639945/step, 0.0515511 hours remaining, 13612 kB of memory in use. ENERGY: 17100 3377.9314 2585.1241 393.0139 45.7185 -44827.1991 4120.2965 0.0000 0.0000 9842.0212 -24463.0935 291.7576 -24316.4724 -24320.2534 292.0986 2132.7440 -295.1275 125000.0000 -494.5469 -494.9617 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17100 WRITING VELOCITIES TO RESTART FILE AT STEP 17100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.8147323109 -1.53122025757 1.00977611657 TCL: atom 1: phi = 0.900022889536 TCL: Center of mass = 23.8162040015 -1.53141115213 1.01013892081 TCL: atom 1: phi = 0.900312713279 TCL: Center of mass = 23.8176762663 -1.53164261561 1.01051943027 TCL: atom 1: phi = 0.900864592012 TCL: Center of mass = 23.8191196795 -1.53190706493 1.01089903238 TCL: atom 1: phi = 0.901414277684 TCL: Center of mass = 23.8205400628 -1.53218973528 1.01126960727 TCL: atom 1: phi = 0.902147653799 TCL: Center of mass = 23.8219245462 -1.53251389257 1.01163133496 TCL: atom 1: phi = 0.90280142045 TCL: Center of mass = 23.8233234943 -1.5328701575 1.01194391496 TCL: atom 1: phi = 0.903595406972 TCL: Center of mass = 23.8246972433 -1.53323148516 1.01222918827 TCL: atom 1: phi = 0.904285198821 TCL: Center of mass = 23.8260521885 -1.53358740569 1.01250936916 TCL: atom 1: phi = 0.905165581836 TCL: Center of mass = 23.8273989085 -1.53391096017 1.012790789 TCL: atom 1: phi = 0.906088658472 TCL: Center of mass = 23.8287658912 -1.53423265533 1.01309544181 TCL: atom 1: phi = 0.907285095763 TCL: Center of mass = 23.8301156175 -1.53453983598 1.01342875775 TCL: atom 1: phi = 0.908490007728 TCL: Center of mass = 23.8314646974 -1.53486806043 1.01380138351 TCL: atom 1: phi = 0.909874474336 TCL: Center of mass = 23.8327601113 -1.5352126624 1.01420907171 TCL: atom 1: phi = 0.911079340675 TCL: Center of mass = 23.8340568277 -1.53559307062 1.01461527318 TCL: atom 1: phi = 0.912220310228 TCL: Center of mass = 23.8353385678 -1.53599166188 1.01503232911 TCL: atom 1: phi = 0.912935802055 TCL: Center of mass = 23.8366315342 -1.53641676074 1.01544086721 TCL: atom 1: phi = 0.913510275775 TCL: Center of mass = 23.8379140691 -1.53683811436 1.01584308156 TCL: atom 1: phi = 0.91362439663 TCL: Center of mass = 23.8392208408 -1.53724292464 1.01625267244 TCL: atom 1: phi = 0.913551151855 TCL: Center of mass = 23.8405291278 -1.53760496398 1.01667930799 TCL: atom 1: phi = 0.913099646792 TCL: Center of mass = 23.8418947354 -1.53794972227 1.01712136788 TCL: atom 1: phi = 0.912675958337 TCL: Center of mass = 23.8432633101 -1.53826701665 1.01757743469 TCL: atom 1: phi = 0.912018912965 TCL: Center of mass = 23.8446721189 -1.53858300176 1.0180625148 TCL: atom 1: phi = 0.911436870855 TCL: Center of mass = 23.8460929973 -1.53888792085 1.01855040171 TCL: atom 1: phi = 0.910676069393 TCL: Center of mass = 23.8475200292 -1.53922315641 1.01901376671 TCL: atom 1: phi = 0.9100378097 TCL: Center of mass = 23.8489507025 -1.53956425025 1.01945845122 TCL: atom 1: phi = 0.90925842775 TCL: Center of mass = 23.8503955478 -1.53993337218 1.0199054965 TCL: atom 1: phi = 0.908600965273 TCL: Center of mass = 23.851816746 -1.5403118603 1.02034509405 TCL: atom 1: phi = 0.90782436608 TCL: Center of mass = 23.853270978 -1.54068338512 1.02078886123 TCL: atom 1: phi = 0.907286009628 TCL: Center of mass = 23.8547488459 -1.54103647086 1.02122917951 TCL: atom 1: phi = 0.906758533845 TCL: Center of mass = 23.8562662794 -1.54133172879 1.02172111543 TCL: atom 1: phi = 0.906635893535 TCL: Center of mass = 23.85777558 -1.54157934957 1.022225768 TCL: atom 1: phi = 0.906650520095 TCL: Center of mass = 23.8592952104 -1.54179038717 1.02273638009 TCL: atom 1: phi = 0.907038354533 TCL: Center of mass = 23.8607916915 -1.54198272658 1.02324481786 TCL: atom 1: phi = 0.907456490549 TCL: Center of mass = 23.8622783046 -1.54218208775 1.02374410719 TCL: atom 1: phi = 0.907994748492 TCL: Center of mass = 23.8637245322 -1.54238708255 1.02424384336 TCL: atom 1: phi = 0.908295048315 TCL: Center of mass = 23.8651393145 -1.54262616165 1.02474116614 TCL: atom 1: phi = 0.908604068874 TCL: Center of mass = 23.8665035589 -1.54288207569 1.02522132525 TCL: atom 1: phi = 0.908642934245 TCL: Center of mass = 23.8678594502 -1.5431282981 1.02569052425 TCL: atom 1: phi = 0.908682291164 TCL: Center of mass = 23.869215292 -1.54335326083 1.02615837816 TCL: atom 1: phi = 0.908554213922 TCL: Center of mass = 23.8705775757 -1.54356004934 1.02663663969 TCL: atom 1: phi = 0.908659599894 TCL: Center of mass = 23.8719445803 -1.54374832638 1.02711588175 TCL: atom 1: phi = 0.908823595334 TCL: Center of mass = 23.8733421415 -1.54392947176 1.02757308759 TCL: atom 1: phi = 0.909338620995 TCL: Center of mass = 23.8747478688 -1.5441162055 1.02797939063 TCL: atom 1: phi = 0.909894360462 TCL: Center of mass = 23.8761680115 -1.54431938706 1.02832885113 TCL: atom 1: phi = 0.910753409986 TCL: Center of mass = 23.8775667643 -1.54453226027 1.02863453052 TCL: atom 1: phi = 0.911586796236 TCL: Center of mass = 23.8789672033 -1.54477483484 1.02891422217 TCL: atom 1: phi = 0.912625960318 TCL: Center of mass = 23.8803667629 -1.54502892497 1.02915864326 TCL: atom 1: phi = 0.913525082698 TCL: Center of mass = 23.8817947982 -1.54530537643 1.02941094589 TCL: atom 1: phi = 0.91463726212 TCL: Center of mass = 23.8832420454 -1.54560421668 1.02967799653 TCL: atom 1: phi = 0.915711468508 TCL: Center of mass = 23.8847121124 -1.54591536184 1.0299696013 TCL: atom 1: phi = 0.916993451558 TCL: Center of mass = 23.8861976336 -1.54620591702 1.03026408474 TCL: atom 1: phi = 0.918294720912 TCL: Center of mass = 23.8876981398 -1.54649788999 1.03058439834 TCL: atom 1: phi = 0.919861917598 TCL: Center of mass = 23.8892178184 -1.54677945602 1.03091145493 TCL: atom 1: phi = 0.92128331124 TCL: Center of mass = 23.8907543713 -1.54706346831 1.03126109036 TCL: atom 1: phi = 0.922653117068 TCL: Center of mass = 23.8922800967 -1.5473633867 1.03162101578 TCL: atom 1: phi = 0.923637061822 TCL: Center of mass = 23.8938160201 -1.54768012934 1.03199730165 TCL: atom 1: phi = 0.924446281457 TCL: Center of mass = 23.8953455329 -1.54800246283 1.03240186319 TCL: atom 1: phi = 0.924691960583 TCL: Center of mass = 23.8968888414 -1.54834487457 1.03285775185 TCL: atom 1: phi = 0.924696871682 TCL: Center of mass = 23.8984302119 -1.5486846586 1.03338300098 TCL: atom 1: phi = 0.924244922486 TCL: Center of mass = 23.8999953426 -1.54901793813 1.03396757377 TCL: atom 1: phi = 0.923695431097 TCL: Center of mass = 23.9015796116 -1.54932025473 1.03458443658 TCL: atom 1: phi = 0.922803365723 TCL: Center of mass = 23.9031957112 -1.54960526812 1.03523259706 TCL: atom 1: phi = 0.921922607121 TCL: Center of mass = 23.9048029304 -1.54987131693 1.03589429258 TCL: atom 1: phi = 0.920767570132 TCL: Center of mass = 23.9064072582 -1.55012042522 1.03655174651 TCL: atom 1: phi = 0.919687204032 TCL: Center of mass = 23.908013005 -1.55037048744 1.03721033799 TCL: atom 1: phi = 0.918335796062 TCL: Center of mass = 23.9096302616 -1.55061986539 1.03786779032 TCL: atom 1: phi = 0.91701605654 TCL: Center of mass = 23.9112440681 -1.55083951965 1.03852354163 TCL: atom 1: phi = 0.915570822822 TCL: Center of mass = 23.9128883409 -1.55104958657 1.03919081542 TCL: atom 1: phi = 0.914344121064 TCL: Center of mass = 23.9145489688 -1.55124409625 1.03987347627 TCL: atom 1: phi = 0.913156511244 TCL: Center of mass = 23.9162282834 -1.55139921038 1.0405843627 TCL: atom 1: phi = 0.912316267487 TCL: Center of mass = 23.9179114612 -1.55154857037 1.04128192649 TCL: atom 1: phi = 0.911654491812 TCL: Center of mass = 23.9196039944 -1.55168764273 1.04199492669 TCL: atom 1: phi = 0.911391043521 TCL: Center of mass = 23.9212732314 -1.55180710704 1.0426800586 TCL: atom 1: phi = 0.91129398167 TCL: Center of mass = 23.9229621295 -1.55192544345 1.04330584263 TCL: atom 1: phi = 0.911443160911 TCL: Center of mass = 23.9246045525 -1.55203431176 1.04389116626 TCL: atom 1: phi = 0.91154678456 TCL: Center of mass = 23.926227931 -1.55214597817 1.04446432733 TCL: atom 1: phi = 0.911716642405 TCL: Center of mass = 23.9278310542 -1.55225250881 1.04501306944 TCL: atom 1: phi = 0.91168192611 TCL: Center of mass = 23.9294238867 -1.55235779061 1.04559028402 TCL: atom 1: phi = 0.911509254502 TCL: Center of mass = 23.9309861403 -1.55246058036 1.046205352 TCL: atom 1: phi = 0.911086034689 TCL: Center of mass = 23.9325272201 -1.55254655476 1.04686326694 TCL: atom 1: phi = 0.910547405947 TCL: Center of mass = 23.9340399839 -1.55262367546 1.0475156481 TCL: atom 1: phi = 0.909770172996 TCL: Center of mass = 23.9355576266 -1.5527082462 1.04817652956 TCL: atom 1: phi = 0.908951246873 TCL: Center of mass = 23.9370624894 -1.55278182095 1.04881879904 TCL: atom 1: phi = 0.907989961907 TCL: Center of mass = 23.9385486268 -1.55286984086 1.04944578099 TCL: atom 1: phi = 0.90699538299 TCL: Center of mass = 23.9400179553 -1.55296052146 1.05004404038 TCL: atom 1: phi = 0.905858575469 TCL: Center of mass = 23.941497706 -1.55305807173 1.05063908896 TCL: atom 1: phi = 0.904799243196 TCL: Center of mass = 23.9429767301 -1.55314081571 1.05119334542 TCL: atom 1: phi = 0.903711301902 TCL: Center of mass = 23.9444687439 -1.55320027519 1.05174052993 TCL: atom 1: phi = 0.902796811054 TCL: Center of mass = 23.9459481283 -1.5532467535 1.05228070441 TCL: atom 1: phi = 0.901988362828 TCL: Center of mass = 23.9474481784 -1.55331306874 1.05282046571 TCL: atom 1: phi = 0.901418441518 TCL: Center of mass = 23.9489405291 -1.55337253308 1.05335462804 TCL: atom 1: phi = 0.901069412205 TCL: Center of mass = 23.950462817 -1.55346539732 1.05388327254 TCL: atom 1: phi = 0.900990427816 TCL: Center of mass = 23.9519685108 -1.55356914037 1.05438400998 TCL: atom 1: phi = 0.901055552674 TCL: Center of mass = 23.9534667103 -1.5536989621 1.05485812564 TCL: atom 1: phi = 0.90127474237 TCL: Center of mass = 23.9549599492 -1.55383510963 1.05528816368 TCL: atom 1: phi = 0.901513527842 TCL: Center of mass = 23.9564759091 -1.55398606976 1.0557173057 TCL: atom 1: phi = 0.901751001384 TCL: Center of mass = 23.9579785268 -1.55412603916 1.05614192945 TCL: atom 1: phi = 0.901868699971 TCL: Center of mass = 23.9595055474 -1.55428851427 1.0565935278 TCL: atom 1: phi = 0.901967621148 TCL: Center of mass = 23.9610232746 -1.55444763486 1.05706154332 TCL: atom 1: phi = 0.90200888388 WRITING COORDINATES TO DCD FILE AT STEP 17200 WRITING COORDINATES TO RESTART FILE AT STEP 17200 FINISHED WRITING RESTART COORDINATES TIMING: 17200 CPU: 921.569, 0.0541418/step Wall: 1099.78, 0.0639425/step, 0.0497331 hours remaining, 13612 kB of memory in use. ENERGY: 17200 3388.6742 2488.3032 392.6859 38.2367 -44981.1365 4224.5566 0.0000 0.0000 9979.4340 -24469.2459 295.8310 -24322.0970 -24327.1826 292.5173 2342.0239 -159.9363 125000.0000 -309.6597 -311.4919 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17200 WRITING VELOCITIES TO RESTART FILE AT STEP 17200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.9625513764 -1.55461601923 1.05755791755 TCL: atom 1: phi = 0.902109513705 TCL: Center of mass = 23.9640454353 -1.55479947174 1.05809210145 TCL: atom 1: phi = 0.902184946249 TCL: Center of mass = 23.9655537592 -1.55500990707 1.05864877799 TCL: atom 1: phi = 0.902267921393 TCL: Center of mass = 23.9670426915 -1.55524473201 1.05921998866 TCL: atom 1: phi = 0.902249176878 TCL: Center of mass = 23.9685458304 -1.55551503897 1.05980555286 TCL: atom 1: phi = 0.902152893197 TCL: Center of mass = 23.970038369 -1.55580026171 1.06038702399 TCL: atom 1: phi = 0.9019384425 TCL: Center of mass = 23.9715380902 -1.55610974642 1.06096190431 TCL: atom 1: phi = 0.901739705742 TCL: Center of mass = 23.9730255086 -1.55639860967 1.06155309271 TCL: atom 1: phi = 0.901559883177 TCL: Center of mass = 23.9745343453 -1.5566872102 1.06217827454 TCL: atom 1: phi = 0.901495512581 TCL: Center of mass = 23.9760393101 -1.55697044339 1.06284126449 TCL: atom 1: phi = 0.90156760452 TCL: Center of mass = 23.9775802599 -1.55724065186 1.06354258019 TCL: atom 1: phi = 0.901931815106 TCL: Center of mass = 23.9790955614 -1.55748110693 1.06425213404 TCL: atom 1: phi = 0.902504886263 TCL: Center of mass = 23.9806297251 -1.55772046242 1.06499033802 TCL: atom 1: phi = 0.903356796725 TCL: Center of mass = 23.9821467389 -1.55795867665 1.06571708448 TCL: atom 1: phi = 0.90443315505 TCL: Center of mass = 23.9836533962 -1.55821353146 1.0664203458 TCL: atom 1: phi = 0.905747776455 TCL: Center of mass = 23.9851390538 -1.55847881648 1.06712556553 TCL: atom 1: phi = 0.907179224793 TCL: Center of mass = 23.9866478906 -1.55876694641 1.06783043686 TCL: atom 1: phi = 0.908815853679 TCL: Center of mass = 23.9881426224 -1.55904647588 1.0685283678 TCL: atom 1: phi = 0.910493550805 TCL: Center of mass = 23.9896780425 -1.55930909622 1.06924961146 TCL: atom 1: phi = 0.912278291646 TCL: Center of mass = 23.9912080029 -1.55954423104 1.06994390191 TCL: atom 1: phi = 0.914006833096 TCL: Center of mass = 23.9927570317 -1.55976255929 1.07065133177 TCL: atom 1: phi = 0.915776116423 TCL: Center of mass = 23.9943029482 -1.55998173265 1.0713335484 TCL: atom 1: phi = 0.917407013967 TCL: Center of mass = 23.9958516472 -1.56019948664 1.07200056753 TCL: atom 1: phi = 0.918955304091 TCL: Center of mass = 23.9973628547 -1.56041322633 1.07262582307 TCL: atom 1: phi = 0.920281322861 TCL: Center of mass = 23.9988734678 -1.56062675639 1.07322024081 TCL: atom 1: phi = 0.921421907764 TCL: Center of mass = 24.0003286168 -1.56086785492 1.07377597619 TCL: atom 1: phi = 0.9223059777 TCL: Center of mass = 24.0017908341 -1.56113377546 1.0743327304 TCL: atom 1: phi = 0.922982653096 TCL: Center of mass = 24.0032457765 -1.56140643754 1.0748639008 TCL: atom 1: phi = 0.923421447197 TCL: Center of mass = 24.004741102 -1.56169336962 1.07541429751 TCL: atom 1: phi = 0.923867755025 TCL: Center of mass = 24.0062535609 -1.56199122243 1.07594240185 TCL: atom 1: phi = 0.92427723561 TCL: Center of mass = 24.0077968427 -1.56229820693 1.0764815088 TCL: atom 1: phi = 0.924835137459 TCL: Center of mass = 24.0093378792 -1.56262764817 1.07701576644 TCL: atom 1: phi = 0.925522462966 TCL: Center of mass = 24.0108821596 -1.56295665659 1.07756525067 TCL: atom 1: phi = 0.926427973499 TCL: Center of mass = 24.0123756266 -1.5632882631 1.0781091186 TCL: atom 1: phi = 0.927400197438 TCL: Center of mass = 24.0138294448 -1.56362588157 1.07865779244 TCL: atom 1: phi = 0.928480315976 TCL: Center of mass = 24.0152324414 -1.56399050605 1.0791932843 TCL: atom 1: phi = 0.929461784041 TCL: Center of mass = 24.0166168249 -1.56438012288 1.07973558405 TCL: atom 1: phi = 0.930463303504 TCL: Center of mass = 24.0179666337 -1.56478728908 1.08027660607 TCL: atom 1: phi = 0.93132360335 TCL: Center of mass = 24.019315643 -1.56523021308 1.08081330834 TCL: atom 1: phi = 0.932270608145 TCL: Center of mass = 24.0206530636 -1.56570282619 1.08136659356 TCL: atom 1: phi = 0.933149170715 TCL: Center of mass = 24.021998407 -1.566200376 1.08193643894 TCL: atom 1: phi = 0.934121112759 TCL: Center of mass = 24.0233320711 -1.56666962843 1.08249396079 TCL: atom 1: phi = 0.934948953519 TCL: Center of mass = 24.0246493913 -1.56715321212 1.08304623249 TCL: atom 1: phi = 0.935761306107 TCL: Center of mass = 24.0259485532 -1.56763634451 1.08357962967 TCL: atom 1: phi = 0.936304940552 TCL: Center of mass = 24.0272474083 -1.5681134809 1.08409982279 TCL: atom 1: phi = 0.936693919305 TCL: Center of mass = 24.0284947224 -1.56858663474 1.08458673685 TCL: atom 1: phi = 0.936746236872 TCL: Center of mass = 24.0297172164 -1.56906677141 1.08507514261 TCL: atom 1: phi = 0.93654538856 TCL: Center of mass = 24.0309047983 -1.56954492269 1.08556216051 TCL: atom 1: phi = 0.936064596747 TCL: Center of mass = 24.0320918029 -1.57002816952 1.08605031954 TCL: atom 1: phi = 0.935505248604 TCL: Center of mass = 24.0332703675 -1.57052402471 1.0865396839 TCL: atom 1: phi = 0.934818094293 TCL: Center of mass = 24.0344821339 -1.57102313638 1.08707222372 TCL: atom 1: phi = 0.934222247747 TCL: Center of mass = 24.0356968033 -1.57150897518 1.08760196155 TCL: atom 1: phi = 0.933654194143 TCL: Center of mass = 24.0369344129 -1.57200209729 1.08814828815 TCL: atom 1: phi = 0.933327942168 TCL: Center of mass = 24.0381805639 -1.57248785924 1.08868147028 TCL: atom 1: phi = 0.933113264665 TCL: Center of mass = 24.0394341631 -1.57293796327 1.08922090059 TCL: atom 1: phi = 0.933171282269 TCL: Center of mass = 24.0406676302 -1.57338270443 1.08972867068 TCL: atom 1: phi = 0.933296778806 TCL: Center of mass = 24.0419135471 -1.57382352104 1.09023430894 TCL: atom 1: phi = 0.933699988324 TCL: Center of mass = 24.0431138242 -1.5742443008 1.09071942391 TCL: atom 1: phi = 0.934172615272 TCL: Center of mass = 24.0443132081 -1.57465718966 1.09122075116 TCL: atom 1: phi = 0.934910681961 TCL: Center of mass = 24.045485925 -1.57506806716 1.09172027924 TCL: atom 1: phi = 0.935779621127 TCL: Center of mass = 24.0466739883 -1.57548667983 1.09222926812 TCL: atom 1: phi = 0.936982201553 TCL: Center of mass = 24.0478714446 -1.57590431063 1.09273049856 TCL: atom 1: phi = 0.938327670434 TCL: Center of mass = 24.0490693644 -1.57633439476 1.09324900474 TCL: atom 1: phi = 0.939889836426 TCL: Center of mass = 24.0502643097 -1.57672797346 1.09374651543 TCL: atom 1: phi = 0.941388810563 TCL: Center of mass = 24.0514822689 -1.57711253093 1.09425375766 TCL: atom 1: phi = 0.942900066882 TCL: Center of mass = 24.0526757069 -1.57748422436 1.09473421774 TCL: atom 1: phi = 0.944201786469 TCL: Center of mass = 24.0538519064 -1.57784451637 1.09522063916 TCL: atom 1: phi = 0.945349879775 TCL: Center of mass = 24.0549949588 -1.57819503082 1.0956805123 TCL: atom 1: phi = 0.94614404636 TCL: Center of mass = 24.0561222836 -1.57853082611 1.09613335977 TCL: atom 1: phi = 0.946778108431 TCL: Center of mass = 24.057215755 -1.57885112789 1.09658918994 TCL: atom 1: phi = 0.947161150797 TCL: Center of mass = 24.0582893974 -1.57916978297 1.09704129076 TCL: atom 1: phi = 0.94759471303 TCL: Center of mass = 24.0593311399 -1.57950293325 1.09748678372 TCL: atom 1: phi = 0.948014344092 TCL: Center of mass = 24.0603520971 -1.57985573403 1.09792047788 TCL: atom 1: phi = 0.948657895754 TCL: Center of mass = 24.0613738085 -1.58021047949 1.09832768712 TCL: atom 1: phi = 0.949333091192 TCL: Center of mass = 24.062395532 -1.58059102516 1.09871199218 TCL: atom 1: phi = 0.95022357493 TCL: Center of mass = 24.063436202 -1.58096238648 1.099066902 TCL: atom 1: phi = 0.951062046531 TCL: Center of mass = 24.0645209537 -1.58134450195 1.09943343296 TCL: atom 1: phi = 0.95204612074 TCL: Center of mass = 24.0656195476 -1.58171984987 1.09980605342 TCL: atom 1: phi = 0.952949935195 TCL: Center of mass = 24.0667638617 -1.58210689293 1.10020233836 TCL: atom 1: phi = 0.953963899418 TCL: Center of mass = 24.0679176122 -1.58251763217 1.10056273851 TCL: atom 1: phi = 0.954981313778 TCL: Center of mass = 24.069091834 -1.58292752949 1.10093215995 TCL: atom 1: phi = 0.956205082805 TCL: Center of mass = 24.0702750794 -1.58335991695 1.10129371558 TCL: atom 1: phi = 0.957518263576 TCL: Center of mass = 24.07146958 -1.58382137036 1.10165477073 TCL: atom 1: phi = 0.959017230806 TCL: Center of mass = 24.0726587324 -1.58429083885 1.10197162121 TCL: atom 1: phi = 0.960470709562 TCL: Center of mass = 24.0738750866 -1.58477255706 1.10227714491 TCL: atom 1: phi = 0.961911808546 TCL: Center of mass = 24.075137298 -1.58527186303 1.10255254653 TCL: atom 1: phi = 0.963116537997 TCL: Center of mass = 24.0764391447 -1.58578685192 1.10285420783 TCL: atom 1: phi = 0.964202445795 TCL: Center of mass = 24.0777891315 -1.58629812546 1.10314943819 TCL: atom 1: phi = 0.964920460261 TCL: Center of mass = 24.0792094947 -1.58681725113 1.10345803724 TCL: atom 1: phi = 0.965443964863 TCL: Center of mass = 24.0806451244 -1.5873049939 1.10377775998 TCL: atom 1: phi = 0.965611363523 TCL: Center of mass = 24.082107022 -1.58778320293 1.10411238128 TCL: atom 1: phi = 0.965680707884 TCL: Center of mass = 24.0835629553 -1.58825566589 1.10443018108 TCL: atom 1: phi = 0.965587284885 TCL: Center of mass = 24.0850105934 -1.58871387341 1.10473745103 TCL: atom 1: phi = 0.965598536076 TCL: Center of mass = 24.0864350539 -1.58914814021 1.10501005206 TCL: atom 1: phi = 0.965569037883 TCL: Center of mass = 24.0878503721 -1.58956743517 1.10526072458 TCL: atom 1: phi = 0.965687712901 TCL: Center of mass = 24.0892658723 -1.58995914827 1.10549836167 TCL: atom 1: phi = 0.965770363151 TCL: Center of mass = 24.0907111783 -1.59032407723 1.10575420258 TCL: atom 1: phi = 0.965893984044 TCL: Center of mass = 24.0921892087 -1.59066593748 1.10601065708 TCL: atom 1: phi = 0.965918271744 TCL: Center of mass = 24.0937348802 -1.59100186065 1.10628075091 TCL: atom 1: phi = 0.965972341403 TCL: Center of mass = 24.0952822707 -1.59131778277 1.10654084763 TCL: atom 1: phi = 0.965904104495 WRITING COORDINATES TO DCD FILE AT STEP 17300 WRITING COORDINATES TO RESTART FILE AT STEP 17300 FINISHED WRITING RESTART COORDINATES TIMING: 17300 CPU: 926.965, 0.0539618/step Wall: 1106.19, 0.0640873/step, 0.0480654 hours remaining, 13612 kB of memory in use. ENERGY: 17300 3479.8596 2455.7836 392.4148 48.8086 -45070.3874 4314.2391 0.0000 0.0000 9889.4302 -24489.8515 293.1629 -24340.7496 -24352.2571 293.6923 2509.9314 99.2038 125000.0000 -211.5655 -207.3580 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17300 WRITING VELOCITIES TO RESTART FILE AT STEP 17300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 24.0968375011 -1.59161044146 1.10681394921 TCL: atom 1: phi = 0.965968371201 TCL: Center of mass = 24.0983732508 -1.5918815535 1.1070689627 TCL: atom 1: phi = 0.966068612195 TCL: Center of mass = 24.0998876981 -1.59212775667 1.10732083009 TCL: atom 1: phi = 0.966474370102 TCL: Center of mass = 24.1013442472 -1.59235554406 1.10752164873 TCL: atom 1: phi = 0.966904135029 TCL: Center of mass = 24.1028155163 -1.59258630242 1.10770884712 TCL: atom 1: phi = 0.967536894303 TCL: Center of mass = 24.1042475994 -1.59279914752 1.10786057525 TCL: atom 1: phi = 0.968139688216 TCL: Center of mass = 24.1056918962 -1.59300175442 1.10801348527 TCL: atom 1: phi = 0.968726029074 TCL: Center of mass = 24.1071685697 -1.59318406795 1.10815448406 TCL: atom 1: phi = 0.96904680634 TCL: Center of mass = 24.1086861356 -1.59335769829 1.10831072485 TCL: atom 1: phi = 0.969184090476 TCL: Center of mass = 24.1102310878 -1.5935296306 1.10846045584 TCL: atom 1: phi = 0.96902115875 TCL: Center of mass = 24.1118179093 -1.59368424125 1.10861588028 TCL: atom 1: phi = 0.968755343033 TCL: Center of mass = 24.1134059348 -1.59381908665 1.1087559059 TCL: atom 1: phi = 0.968313759382 TCL: Center of mass = 24.1149878353 -1.59395123927 1.10887886161 TCL: atom 1: phi = 0.967907283066 TCL: Center of mass = 24.116532216 -1.59406482357 1.10897572652 TCL: atom 1: phi = 0.967512295531 TCL: Center of mass = 24.1180457605 -1.59417355746 1.10903555609 TCL: atom 1: phi = 0.967270500035 TCL: Center of mass = 24.1195080905 -1.59425222265 1.10906666697 TCL: atom 1: phi = 0.967047587331 TCL: Center of mass = 24.1209275489 -1.59431200806 1.10911390809 TCL: atom 1: phi = 0.966992880818 TCL: Center of mass = 24.1223472226 -1.59435891278 1.10916189833 TCL: atom 1: phi = 0.966891730941 TCL: Center of mass = 24.1237779421 -1.59442211337 1.10922365816 TCL: atom 1: phi = 0.966881073235 TCL: Center of mass = 24.1252282554 -1.59447472641 1.10928484059 TCL: atom 1: phi = 0.966777019326 TCL: Center of mass = 24.1267075358 -1.59453706799 1.10938086519 TCL: atom 1: phi = 0.966759764822 TCL: Center of mass = 24.128196926 -1.59459668479 1.10948897772 TCL: atom 1: phi = 0.966692570992 TCL: Center of mass = 24.1297077909 -1.59467370534 1.1095980542 TCL: atom 1: phi = 0.966755152372 TCL: Center of mass = 24.1311909922 -1.59477304189 1.10970848503 TCL: atom 1: phi = 0.966849242329 TCL: Center of mass = 24.1326649926 -1.59489995768 1.10979488446 TCL: atom 1: phi = 0.967083175389 TCL: Center of mass = 24.1341310858 -1.59504326755 1.10984154038 TCL: atom 1: phi = 0.967274482883 TCL: Center of mass = 24.1355827312 -1.59519470384 1.10989826165 TCL: atom 1: phi = 0.967498316906 TCL: Center of mass = 24.1370427863 -1.59534425637 1.10994519917 TCL: atom 1: phi = 0.967471114773 TCL: Center of mass = 24.1385232445 -1.5954822713 1.10999410931 TCL: atom 1: phi = 0.96738126079 TCL: Center of mass = 24.1400117879 -1.59561648122 1.11005359918 TCL: atom 1: phi = 0.966932724434 TCL: Center of mass = 24.1415309338 -1.59574953749 1.11012400854 TCL: atom 1: phi = 0.966337471371 TCL: Center of mass = 24.1430729447 -1.59587761662 1.11022897736 TCL: atom 1: phi = 0.965495299736 TCL: Center of mass = 24.144627739 -1.59600336318 1.11035230779 TCL: atom 1: phi = 0.964654177026 TCL: Center of mass = 24.1461620292 -1.59613927332 1.11048993396 TCL: atom 1: phi = 0.963750290084 TCL: Center of mass = 24.1476895208 -1.59627866287 1.11062859673 TCL: atom 1: phi = 0.963018071107 TCL: Center of mass = 24.1491965366 -1.59641321708 1.11075809372 TCL: atom 1: phi = 0.962262154297 TCL: Center of mass = 24.1506969808 -1.59652113361 1.11088988882 TCL: atom 1: phi = 0.961745330461 TCL: Center of mass = 24.152179011 -1.59660873736 1.1110245612 TCL: atom 1: phi = 0.961297386337 TCL: Center of mass = 24.1536594522 -1.59668932234 1.11115011025 TCL: atom 1: phi = 0.961054281915 TCL: Center of mass = 24.1551251804 -1.59675454967 1.11128534621 TCL: atom 1: phi = 0.96083917953 TCL: Center of mass = 24.1566025329 -1.59683464706 1.11141552018 TCL: atom 1: phi = 0.96090568701 TCL: Center of mass = 24.1580724484 -1.59691806564 1.111532327 TCL: atom 1: phi = 0.961148778656 TCL: Center of mass = 24.159544411 -1.59698771015 1.11162525806 TCL: atom 1: phi = 0.961753090108 TCL: Center of mass = 24.1609896926 -1.59703457533 1.1117177116 TCL: atom 1: phi = 0.962573935578 TCL: Center of mass = 24.1624279655 -1.59708318533 1.11180566326 TCL: atom 1: phi = 0.963757531523 TCL: Center of mass = 24.1638250844 -1.59711964259 1.11189811715 TCL: atom 1: phi = 0.965079746121 TCL: Center of mass = 24.1652097661 -1.59715236044 1.11199057887 TCL: atom 1: phi = 0.966650327911 TCL: Center of mass = 24.1665652652 -1.5971893034 1.11207056109 TCL: atom 1: phi = 0.968174583948 TCL: Center of mass = 24.1678765802 -1.59724161273 1.11213447811 TCL: atom 1: phi = 0.969756954224 TCL: Center of mass = 24.1691554379 -1.59731111245 1.11217174873 TCL: atom 1: phi = 0.971178806664 TCL: Center of mass = 24.1704384449 -1.59741363439 1.1121827799 TCL: atom 1: phi = 0.972608908787 TCL: Center of mass = 24.1716996311 -1.59754141807 1.11221706729 TCL: atom 1: phi = 0.97383081917 TCL: Center of mass = 24.1729621161 -1.59767131777 1.11227449559 TCL: atom 1: phi = 0.975039623258 TCL: Center of mass = 24.1742104708 -1.59781830181 1.11236882832 TCL: atom 1: phi = 0.976073186598 TCL: Center of mass = 24.1754867257 -1.59797987392 1.11249930261 TCL: atom 1: phi = 0.977187722014 TCL: Center of mass = 24.1767780168 -1.59814660857 1.11265929779 TCL: atom 1: phi = 0.978108868219 TCL: Center of mass = 24.1780932994 -1.59830633488 1.11285019393 TCL: atom 1: phi = 0.978993257513 TCL: Center of mass = 24.1794162624 -1.59844371949 1.1130718892 TCL: atom 1: phi = 0.97967556526 TCL: Center of mass = 24.1807611821 -1.59857872816 1.11330339593 TCL: atom 1: phi = 0.980354834006 TCL: Center of mass = 24.1820972804 -1.5987260034 1.11353660272 TCL: atom 1: phi = 0.980797975409 TCL: Center of mass = 24.1834630499 -1.5988511505 1.11376264487 TCL: atom 1: phi = 0.981226836426 TCL: Center of mass = 24.1848117907 -1.59899626017 1.11397352556 TCL: atom 1: phi = 0.981479793501 TCL: Center of mass = 24.1861727773 -1.59913195601 1.11417065515 TCL: atom 1: phi = 0.981762009248 TCL: Center of mass = 24.1875655256 -1.5992794783 1.1143719726 TCL: atom 1: phi = 0.981869187309 TCL: Center of mass = 24.1890176904 -1.59942391029 1.11456360348 TCL: atom 1: phi = 0.982085908472 TCL: Center of mass = 24.1904982859 -1.59956760788 1.11477039605 TCL: atom 1: phi = 0.982235230141 TCL: Center of mass = 24.1920155968 -1.59972119449 1.11500519976 TCL: atom 1: phi = 0.982398360415 TCL: Center of mass = 24.1935471965 -1.59988757752 1.11524263561 TCL: atom 1: phi = 0.982392817845 TCL: Center of mass = 24.1950812864 -1.60007506243 1.11545170282 TCL: atom 1: phi = 0.982337446684 TCL: Center of mass = 24.196588331 -1.60029126679 1.11563315474 TCL: atom 1: phi = 0.982040654661 TCL: Center of mass = 24.1980692814 -1.60054346069 1.11577915269 TCL: atom 1: phi = 0.981723236857 TCL: Center of mass = 24.1995218022 -1.60085090361 1.11586796748 TCL: atom 1: phi = 0.981268787269 TCL: Center of mass = 24.200944898 -1.60120599843 1.11591802034 TCL: atom 1: phi = 0.980827390949 TCL: Center of mass = 24.2023473404 -1.60162398715 1.11592889187 TCL: atom 1: phi = 0.980259796476 TCL: Center of mass = 24.2037440164 -1.60207818274 1.11593736914 TCL: atom 1: phi = 0.979743268234 TCL: Center of mass = 24.2051534468 -1.60256865684 1.11595145553 TCL: atom 1: phi = 0.979112805357 TCL: Center of mass = 24.2065730167 -1.60308532182 1.11597375736 TCL: atom 1: phi = 0.978557303671 TCL: Center of mass = 24.2080259496 -1.60363312402 1.11602180694 TCL: atom 1: phi = 0.977930658389 TCL: Center of mass = 24.2095103119 -1.6041929062 1.1160943101 TCL: atom 1: phi = 0.977442386199 TCL: Center of mass = 24.2109841827 -1.60477924878 1.11618071414 TCL: atom 1: phi = 0.976977226958 TCL: Center of mass = 24.212458088 -1.60536117886 1.11626574385 TCL: atom 1: phi = 0.976753332695 TCL: Center of mass = 24.2139071162 -1.60594447923 1.11631658122 TCL: atom 1: phi = 0.976653158435 TCL: Center of mass = 24.215355983 -1.60652077419 1.11636193872 TCL: atom 1: phi = 0.976767323249 TCL: Center of mass = 24.2168023038 -1.6070884125 1.11637021682 TCL: atom 1: phi = 0.977000760898 TCL: Center of mass = 24.2182727259 -1.60764798181 1.116375734 TCL: atom 1: phi = 0.977414468353 TCL: Center of mass = 24.2197666364 -1.60818463842 1.11636208362 TCL: atom 1: phi = 0.977873067153 TCL: Center of mass = 24.2213327987 -1.60870159166 1.11637297656 TCL: atom 1: phi = 0.978397154971 TCL: Center of mass = 24.2229623912 -1.60921090058 1.11638516076 TCL: atom 1: phi = 0.978816998228 TCL: Center of mass = 24.2246392841 -1.6096995285 1.11639747587 TCL: atom 1: phi = 0.979210131577 TCL: Center of mass = 24.2263426891 -1.61017783681 1.11642008708 TCL: atom 1: phi = 0.979424522641 TCL: Center of mass = 24.2280812747 -1.61066350308 1.11644298408 TCL: atom 1: phi = 0.979518951741 TCL: Center of mass = 24.2298094576 -1.61114529743 1.11644131312 TCL: atom 1: phi = 0.979405663776 TCL: Center of mass = 24.2315326884 -1.61162499038 1.11641456768 TCL: atom 1: phi = 0.979192184323 TCL: Center of mass = 24.23324496 -1.61207773047 1.11634120355 TCL: atom 1: phi = 0.978835304906 TCL: Center of mass = 24.2349522513 -1.61253810807 1.11626193735 TCL: atom 1: phi = 0.978494194389 TCL: Center of mass = 24.2366568864 -1.61297061675 1.11613115909 TCL: atom 1: phi = 0.978089645649 TCL: Center of mass = 24.2383856079 -1.61341081104 1.11599715004 TCL: atom 1: phi = 0.977769903683 TCL: Center of mass = 24.2401312445 -1.61382924959 1.11585055267 TCL: atom 1: phi = 0.97732623033 TCL: Center of mass = 24.2419252134 -1.61425877714 1.1157409748 TCL: atom 1: phi = 0.976941156491 TCL: Center of mass = 24.2437417426 -1.61467099403 1.11563594665 TCL: atom 1: phi = 0.976604845316 WRITING COORDINATES TO DCD FILE AT STEP 17400 WRITING COORDINATES TO RESTART FILE AT STEP 17400 FINISHED WRITING RESTART COORDINATES TIMING: 17400 CPU: 932.37, 0.0540518/step Wall: 1112.61, 0.0641919/step, 0.0463608 hours remaining, 13612 kB of memory in use. ENERGY: 17400 3414.9682 2545.9495 398.8070 39.1666 -45127.9620 4277.7841 0.0000 0.0000 9950.1411 -24501.1455 294.9627 -24355.0634 -24354.7848 292.7531 2300.4132 -124.2305 125000.0000 0.5174 4.3386 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17400 WRITING VELOCITIES TO RESTART FILE AT STEP 17400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 24.2455904149 -1.61506247506 1.11558972498 TCL: atom 1: phi = 0.976409080743 TCL: Center of mass = 24.2474306781 -1.61543161774 1.11556933119 TCL: atom 1: phi = 0.976393166157 TCL: Center of mass = 24.2492624909 -1.61578976508 1.1155651925 TCL: atom 1: phi = 0.976707025411 TCL: Center of mass = 24.2510475475 -1.616141834 1.11555836831 TCL: atom 1: phi = 0.977234910499 TCL: Center of mass = 24.2528279598 -1.61647544455 1.11559037451 TCL: atom 1: phi = 0.978046139147 TCL: Center of mass = 24.2545471323 -1.61678820897 1.11563497555 TCL: atom 1: phi = 0.979037822335 TCL: Center of mass = 24.2562538399 -1.61708289297 1.11571868375 TCL: atom 1: phi = 0.980206215785 TCL: Center of mass = 24.2579512692 -1.61734613843 1.11580459834 TCL: atom 1: phi = 0.981372038844 TCL: Center of mass = 24.2596449142 -1.61757853667 1.11591128786 TCL: atom 1: phi = 0.982644379061 TCL: Center of mass = 24.2613258347 -1.6177711379 1.11604927003 TCL: atom 1: phi = 0.983868773193 TCL: Center of mass = 24.2629892115 -1.61794538621 1.11619611443 TCL: atom 1: phi = 0.985141453598 TCL: Center of mass = 24.2646348969 -1.61807440183 1.11634869152 TCL: atom 1: phi = 0.986337668082 TCL: Center of mass = 24.2662702039 -1.61818200604 1.11651519842 TCL: atom 1: phi = 0.987541752932 TCL: Center of mass = 24.2678899645 -1.61826938508 1.11667670254 TCL: atom 1: phi = 0.988645551914 TCL: Center of mass = 24.2694812567 -1.6183429789 1.11682263395 TCL: atom 1: phi = 0.98981585954 TCL: Center of mass = 24.271029243 -1.61841709687 1.1169500553 TCL: atom 1: phi = 0.990889046812 TCL: Center of mass = 24.2725861688 -1.61849974087 1.11704364763 TCL: atom 1: phi = 0.991929334711 TCL: Center of mass = 24.2741456531 -1.6185799594 1.11711103462 TCL: atom 1: phi = 0.992801033299 TCL: Center of mass = 24.2757233722 -1.61866898341 1.11715959928 TCL: atom 1: phi = 0.993654787878 TCL: Center of mass = 24.2773002741 -1.61877593407 1.11718543458 TCL: atom 1: phi = 0.994259254357 TCL: Center of mass = 24.2789213416 -1.61888073287 1.11721744372 TCL: atom 1: phi = 0.994793644552 TCL: Center of mass = 24.2805705486 -1.61897082121 1.11726152737 TCL: atom 1: phi = 0.995192153534 TCL: Center of mass = 24.2822608656 -1.61905623256 1.11732941549 TCL: atom 1: phi = 0.995642527308 TCL: Center of mass = 24.2839401368 -1.61914762356 1.11744553134 TCL: atom 1: phi = 0.996000557931 TCL: Center of mass = 24.2856207521 -1.61926361182 1.11759969265 TCL: atom 1: phi = 0.996469395811 TCL: Center of mass = 24.2872572368 -1.61937840467 1.11777022388 TCL: atom 1: phi = 0.996821097588 TCL: Center of mass = 24.2888962494 -1.61952006311 1.1179303599 TCL: atom 1: phi = 0.997230099918 TCL: Center of mass = 24.2905181193 -1.61969193031 1.11807671221 TCL: atom 1: phi = 0.997479885536 TCL: Center of mass = 24.2921430854 -1.61991012533 1.1182336924 TCL: atom 1: phi = 0.997710585241 TCL: Center of mass = 24.2937584031 -1.62015290969 1.11838918195 TCL: atom 1: phi = 0.997735811732 TCL: Center of mass = 24.2953741177 -1.62042641528 1.11856150459 TCL: atom 1: phi = 0.997763722536 TCL: Center of mass = 24.2969976338 -1.62071009762 1.11875431597 TCL: atom 1: phi = 0.99756433417 TCL: Center of mass = 24.2986513558 -1.62098971235 1.11899285502 TCL: atom 1: phi = 0.997436980753 TCL: Center of mass = 24.3002929151 -1.6212773538 1.11924800117 TCL: atom 1: phi = 0.997198173582 TCL: Center of mass = 24.3019327649 -1.62155686323 1.11953737426 TCL: atom 1: phi = 0.997043619794 TCL: Center of mass = 24.3035378138 -1.62183806236 1.11981328079 TCL: atom 1: phi = 0.996750295932 TCL: Center of mass = 24.305142164 -1.62210303724 1.12006387664 TCL: atom 1: phi = 0.996512642756 TCL: Center of mass = 24.3067171376 -1.62234320488 1.12025219809 TCL: atom 1: phi = 0.996079217264 TCL: Center of mass = 24.3083005773 -1.62256966633 1.12038405274 TCL: atom 1: phi = 0.995742423912 TCL: Center of mass = 24.309874459 -1.62277782266 1.12042940568 TCL: atom 1: phi = 0.995312501784 TCL: Center of mass = 24.3114811345 -1.62298384295 1.12041880941 TCL: atom 1: phi = 0.995118693439 TCL: Center of mass = 24.3130990721 -1.6231578185 1.12037531333 TCL: atom 1: phi = 0.994935298934 TCL: Center of mass = 24.3147579548 -1.62332525678 1.12031181848 TCL: atom 1: phi = 0.995102720042 TCL: Center of mass = 24.3164578857 -1.62347868975 1.12025158951 TCL: atom 1: phi = 0.995318416337 TCL: Center of mass = 24.3181949246 -1.62362965031 1.12022289127 TCL: atom 1: phi = 0.995804211222 TCL: Center of mass = 24.3199378373 -1.62379936739 1.12021183659 TCL: atom 1: phi = 0.996218880355 TCL: Center of mass = 24.3217092762 -1.62395096219 1.12023034783 TCL: atom 1: phi = 0.996729395544 TCL: Center of mass = 24.3234845253 -1.62409508799 1.12023320826 TCL: atom 1: phi = 0.997101237012 TCL: Center of mass = 24.3252602994 -1.62424622933 1.12022129724 TCL: atom 1: phi = 0.997573641984 TCL: Center of mass = 24.3270150235 -1.62439935997 1.12016587898 TCL: atom 1: phi = 0.997837652404 TCL: Center of mass = 24.3287742715 -1.62457260852 1.12007960592 TCL: atom 1: phi = 0.998224183112 TCL: Center of mass = 24.3305164188 -1.62477249885 1.11997113421 TCL: atom 1: phi = 0.998459658342 TCL: Center of mass = 24.3322835807 -1.62498303929 1.11986679866 TCL: atom 1: phi = 0.998838995419 TCL: Center of mass = 24.3340462159 -1.62521026667 1.11979537122 TCL: atom 1: phi = 0.999034858059 TCL: Center of mass = 24.3358183272 -1.62547302869 1.11978549941 TCL: atom 1: phi = 0.999251672393 TCL: Center of mass = 24.3375991589 -1.62576083424 1.11982520372 TCL: atom 1: phi = 0.999105825614 TCL: Center of mass = 24.3393782652 -1.62604953966 1.11991377576 TCL: atom 1: phi = 0.998867526617 TCL: Center of mass = 24.3411111831 -1.62634610653 1.1200140431 TCL: atom 1: phi = 0.998194395181 TCL: Center of mass = 24.3428011828 -1.62664893601 1.12011252853 TCL: atom 1: phi = 0.997454770159 TCL: Center of mass = 24.3444251664 -1.62695187264 1.12018107346 TCL: atom 1: phi = 0.996387586234 TCL: Center of mass = 24.3460132021 -1.62721552026 1.12020814253 TCL: atom 1: phi = 0.995444966758 TCL: Center of mass = 24.3475304436 -1.6274554494 1.12018063967 TCL: atom 1: phi = 0.994395264981 TCL: Center of mass = 24.3490204455 -1.62770263229 1.12012705925 TCL: atom 1: phi = 0.993656371462 TCL: Center of mass = 24.350472963 -1.62793415513 1.12004279283 TCL: atom 1: phi = 0.992925130302 TCL: Center of mass = 24.3519412788 -1.62815858821 1.11997880339 TCL: atom 1: phi = 0.992507189984 TCL: Center of mass = 24.3534047985 -1.6283710496 1.11991880812 TCL: atom 1: phi = 0.992071824155 TCL: Center of mass = 24.3548934451 -1.62856901583 1.11988517357 TCL: atom 1: phi = 0.991847119918 TCL: Center of mass = 24.3563729472 -1.62877573001 1.11985412334 TCL: atom 1: phi = 0.991557517082 TCL: Center of mass = 24.3578960216 -1.62898641242 1.11982898229 TCL: atom 1: phi = 0.991443427699 TCL: Center of mass = 24.3594040181 -1.62918236795 1.11978631356 TCL: atom 1: phi = 0.991271418827 TCL: Center of mass = 24.3609330167 -1.6293753274 1.11972690506 TCL: atom 1: phi = 0.991370668474 TCL: Center of mass = 24.3624562849 -1.62957653595 1.11962992222 TCL: atom 1: phi = 0.991489571909 TCL: Center of mass = 24.3639978422 -1.62977813566 1.11951262969 TCL: atom 1: phi = 0.991908533639 TCL: Center of mass = 24.3655454319 -1.63000957656 1.11937200735 TCL: atom 1: phi = 0.99236548878 TCL: Center of mass = 24.3671258386 -1.63028414275 1.11921630278 TCL: atom 1: phi = 0.993088176059 TCL: Center of mass = 24.3687554851 -1.63059488189 1.11907649239 TCL: atom 1: phi = 0.993803419053 TCL: Center of mass = 24.3704354263 -1.63094790487 1.1189648406 TCL: atom 1: phi = 0.994634627459 TCL: Center of mass = 24.3721575953 -1.63133413041 1.11886187749 TCL: atom 1: phi = 0.995238720664 TCL: Center of mass = 24.3739222275 -1.63173086698 1.11875123569 TCL: atom 1: phi = 0.995827529803 TCL: Center of mass = 24.3756791237 -1.63213810971 1.11863457417 TCL: atom 1: phi = 0.996155315069 TCL: Center of mass = 24.3774320019 -1.63254836568 1.11850272018 TCL: atom 1: phi = 0.996501738916 TCL: Center of mass = 24.3791256052 -1.63295467867 1.11834954043 TCL: atom 1: phi = 0.996748309654 TCL: Center of mass = 24.3807785415 -1.63335082172 1.1181781185 TCL: atom 1: phi = 0.997108392884 TCL: Center of mass = 24.3823787355 -1.63375354704 1.11798596402 TCL: atom 1: phi = 0.997391650188 TCL: Center of mass = 24.3839344321 -1.63415325749 1.1177662814 TCL: atom 1: phi = 0.997812390176 TCL: Center of mass = 24.3854521073 -1.63454273091 1.11753030419 TCL: atom 1: phi = 0.998185870112 TCL: Center of mass = 24.3869825104 -1.63491526306 1.11729262386 TCL: atom 1: phi = 0.998596967174 TCL: Center of mass = 24.3885185031 -1.63527663704 1.11706690108 TCL: atom 1: phi = 0.998811175297 TCL: Center of mass = 24.3900751703 -1.63561654928 1.1168522857 TCL: atom 1: phi = 0.999024216009 TCL: Center of mass = 24.3916390192 -1.63594416378 1.11666033159 TCL: atom 1: phi = 0.999005197365 TCL: Center of mass = 24.393207367 -1.63623697696 1.1165070138 TCL: atom 1: phi = 0.998923326803 TCL: Center of mass = 24.3947480186 -1.63653598998 1.11639397143 TCL: atom 1: phi = 0.998636079754 TCL: Center of mass = 24.396260016 -1.63680918825 1.11630644064 TCL: atom 1: phi = 0.998464694677 TCL: Center of mass = 24.3977298946 -1.63707659174 1.11623524292 TCL: atom 1: phi = 0.9981852086 TCL: Center of mass = 24.3992188791 -1.63733895833 1.11615941247 TCL: atom 1: phi = 0.998164028987 TCL: Center of mass = 24.4007182603 -1.63758603752 1.11608791523 TCL: atom 1: phi = 0.998076363401 TCL: Center of mass = 24.4022497717 -1.63781757744 1.11602761469 TCL: atom 1: phi = 0.998150002705 TCL: Center of mass = 24.4037784689 -1.63805966849 1.11597198256 TCL: atom 1: phi = 0.998033286215 TCL: Center of mass = 24.4053513769 -1.63831481417 1.11593446302 TCL: atom 1: phi = 0.997945479101 TCL: Center of mass = 24.4069475438 -1.63858274641 1.11591560705 TCL: atom 1: phi = 0.997541673499 WRITING COORDINATES TO DCD FILE AT STEP 17500 WRITING COORDINATES TO RESTART FILE AT STEP 17500 FINISHED WRITING RESTART COORDINATES TIMING: 17500 CPU: 937.777, 0.0540718/step Wall: 1119.03, 0.0642531/step, 0.0446202 hours remaining, 13612 kB of memory in use. ENERGY: 17500 3470.8776 2524.2979 379.1002 39.0708 -44775.8045 4039.0661 0.0000 0.0000 9818.6288 -24504.7630 291.0641 -24355.9418 -24365.5821 292.8163 1663.5111 -595.9075 125000.0000 -333.8759 -335.8808 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17500 WRITING VELOCITIES TO RESTART FILE AT STEP 17500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 24.4085693395 -1.63882907923 1.11593013079 TCL: atom 1: phi = 0.99715917543 TCL: Center of mass = 24.4101461509 -1.63909215301 1.11598834045 TCL: atom 1: phi = 0.996450208937 TCL: Center of mass = 24.4117199033 -1.63934260358 1.11605823005 TCL: atom 1: phi = 0.995739396146 TCL: Center of mass = 24.4132495466 -1.63958897839 1.11613825645 TCL: atom 1: phi = 0.994835168978 TCL: Center of mass = 24.4147550224 -1.63982233675 1.11621659085 TCL: atom 1: phi = 0.994077669663 TCL: Center of mass = 24.4162099636 -1.64006767217 1.11625290164 TCL: atom 1: phi = 0.993202965249 TCL: Center of mass = 24.4176486755 -1.64030517995 1.11624569713 TCL: atom 1: phi = 0.992492161561 TCL: Center of mass = 24.4190621857 -1.64055605497 1.11619595862 TCL: atom 1: phi = 0.99170434649 TCL: Center of mass = 24.4204614592 -1.64079625171 1.11610088979 TCL: atom 1: phi = 0.991076656868 TCL: Center of mass = 24.4218426235 -1.64106632061 1.11598948272 TCL: atom 1: phi = 0.990327333779 TCL: Center of mass = 24.4232424525 -1.64129963772 1.11587234599 TCL: atom 1: phi = 0.989683399771 TCL: Center of mass = 24.4246251159 -1.64153746033 1.11576035933 TCL: atom 1: phi = 0.98890264216 TCL: Center of mass = 24.425993562 -1.64177516957 1.11567267352 TCL: atom 1: phi = 0.988257091369 TCL: Center of mass = 24.4273499401 -1.64201359479 1.11557873443 TCL: atom 1: phi = 0.987602644319 TCL: Center of mass = 24.4287048885 -1.64224535217 1.11545834237 TCL: atom 1: phi = 0.98717208611 TCL: Center of mass = 24.4300475751 -1.64249233611 1.11530689671 TCL: atom 1: phi = 0.986776955878 TCL: Center of mass = 24.4313970608 -1.64275018701 1.11511339889 TCL: atom 1: phi = 0.986561925954 TCL: Center of mass = 24.4327294558 -1.64301071877 1.11488328883 TCL: atom 1: phi = 0.986268371645 TCL: Center of mass = 24.4340646305 -1.64327665904 1.11464412306 TCL: atom 1: phi = 0.985996318309 TCL: Center of mass = 24.4354035306 -1.64354984661 1.11440391605 TCL: atom 1: phi = 0.985541191622 TCL: Center of mass = 24.4367640289 -1.64384234001 1.1142085965 TCL: atom 1: phi = 0.985077331386 TCL: Center of mass = 24.4381150756 -1.64413997887 1.11405225363 TCL: atom 1: phi = 0.984460191284 TCL: Center of mass = 24.4394723352 -1.64442880721 1.11394662098 TCL: atom 1: phi = 0.983876324079 TCL: Center of mass = 24.4408461189 -1.64468512698 1.11390620307 TCL: atom 1: phi = 0.983200269485 TCL: Center of mass = 24.4422342706 -1.6449239052 1.11390561834 TCL: atom 1: phi = 0.982597652749 TCL: Center of mass = 24.4436278702 -1.64514032774 1.11393391942 TCL: atom 1: phi = 0.981897300641 TCL: Center of mass = 24.4450258454 -1.64534559962 1.11395805219 TCL: atom 1: phi = 0.981308106673 TCL: Center of mass = 24.4463890602 -1.6455376956 1.11397896401 TCL: atom 1: phi = 0.980643097232 TCL: Center of mass = 24.447753206 -1.64571697714 1.11397410091 TCL: atom 1: phi = 0.980065669425 TCL: Center of mass = 24.4491159856 -1.6458645244 1.11395452756 TCL: atom 1: phi = 0.979412396335 TCL: Center of mass = 24.4505085838 -1.64599779957 1.11393692196 TCL: atom 1: phi = 0.978922649044 TCL: Center of mass = 24.4518963202 -1.64612641795 1.11392880525 TCL: atom 1: phi = 0.978429030467 TCL: Center of mass = 24.453312047 -1.6462849964 1.11396075692 TCL: atom 1: phi = 0.978185972591 TCL: Center of mass = 24.4547394946 -1.6464575396 1.11403468282 TCL: atom 1: phi = 0.978022149809 TCL: Center of mass = 24.4561863546 -1.64663733038 1.11414007573 TCL: atom 1: phi = 0.978186301819 TCL: Center of mass = 24.457626611 -1.64683246542 1.11425310633 TCL: atom 1: phi = 0.978419945283 TCL: Center of mass = 24.4590738545 -1.64704166843 1.11432661851 TCL: atom 1: phi = 0.978945667689 TCL: Center of mass = 24.4604895211 -1.64725800676 1.11436806172 TCL: atom 1: phi = 0.979537053635 TCL: Center of mass = 24.4618887118 -1.64748513744 1.11437498975 TCL: atom 1: phi = 0.980306585666 TCL: Center of mass = 24.463239931 -1.6476996857 1.11434438162 TCL: atom 1: phi = 0.980957893494 TCL: Center of mass = 24.464563699 -1.64792852835 1.11429617389 TCL: atom 1: phi = 0.981631817454 TCL: Center of mass = 24.4658473367 -1.64818001643 1.11426112136 TCL: atom 1: phi = 0.982121757512 TCL: Center of mass = 24.4671438066 -1.64843772558 1.11427693322 TCL: atom 1: phi = 0.982681791582 TCL: Center of mass = 24.468393385 -1.64871098374 1.11435896079 TCL: atom 1: phi = 0.983056784804 TCL: Center of mass = 24.4696366486 -1.64900653799 1.11449695675 TCL: atom 1: phi = 0.983466056813 TCL: Center of mass = 24.4708440419 -1.64931360025 1.11468630643 TCL: atom 1: phi = 0.983708487507 TCL: Center of mass = 24.472057034 -1.64962722192 1.11491207366 TCL: atom 1: phi = 0.983922719633 TCL: Center of mass = 24.4732286805 -1.64994254019 1.11517022249 TCL: atom 1: phi = 0.983911812535 TCL: Center of mass = 24.4743810479 -1.6502287716 1.11542700556 TCL: atom 1: phi = 0.983890935006 TCL: Center of mass = 24.4755056054 -1.65046736514 1.11567931709 TCL: atom 1: phi = 0.983656869347 TCL: Center of mass = 24.476627036 -1.65067583451 1.11590355007 TCL: atom 1: phi = 0.983449887712 TCL: Center of mass = 24.4777542299 -1.65085673718 1.11610100589 TCL: atom 1: phi = 0.98303958607 TCL: Center of mass = 24.4789035303 -1.65102108752 1.11628266961 TCL: atom 1: phi = 0.982738803937 TCL: Center of mass = 24.480062953 -1.65119559655 1.11645861548 TCL: atom 1: phi = 0.982393949446 TCL: Center of mass = 24.4812785813 -1.65135992405 1.11663333834 TCL: atom 1: phi = 0.982217419272 TCL: Center of mass = 24.4825232985 -1.65152880197 1.11680655425 TCL: atom 1: phi = 0.982027572851 TCL: Center of mass = 24.4837968491 -1.65169390247 1.1169777573 TCL: atom 1: phi = 0.981957033452 TCL: Center of mass = 24.4850976576 -1.65186748485 1.11713697732 TCL: atom 1: phi = 0.981840256088 TCL: Center of mass = 24.4864460095 -1.65203403749 1.11727862236 TCL: atom 1: phi = 0.981866075085 TCL: Center of mass = 24.4877915474 -1.65220300926 1.11737731072 TCL: atom 1: phi = 0.981748312632 TCL: Center of mass = 24.4891530861 -1.65234871009 1.1174384989 TCL: atom 1: phi = 0.981644012156 TCL: Center of mass = 24.4904910532 -1.65249037868 1.11746768004 TCL: atom 1: phi = 0.981363980055 TCL: Center of mass = 24.4918303349 -1.65263169651 1.11747594268 TCL: atom 1: phi = 0.98104946254 TCL: Center of mass = 24.4931674282 -1.65278787659 1.11748037474 TCL: atom 1: phi = 0.980522655112 TCL: Center of mass = 24.494521434 -1.65296310387 1.11748442484 TCL: atom 1: phi = 0.979971553004 TCL: Center of mass = 24.4958617583 -1.6531828343 1.11747833327 TCL: atom 1: phi = 0.979246188173 TCL: Center of mass = 24.4972055763 -1.65343703633 1.1175248379 TCL: atom 1: phi = 0.978491251727 TCL: Center of mass = 24.4985450263 -1.65371746896 1.11758036442 TCL: atom 1: phi = 0.97758772899 TCL: Center of mass = 24.4999018839 -1.65400869114 1.1176683447 TCL: atom 1: phi = 0.976692246894 TCL: Center of mass = 24.5012713964 -1.65429782004 1.11774554685 TCL: atom 1: phi = 0.975706662211 TCL: Center of mass = 24.5026332149 -1.6546013359 1.11784527737 TCL: atom 1: phi = 0.974788255186 TCL: Center of mass = 24.5039621423 -1.65490220878 1.11794621391 TCL: atom 1: phi = 0.973780478475 TCL: Center of mass = 24.5052910101 -1.65521336739 1.11808436344 TCL: atom 1: phi = 0.972930593061 TCL: Center of mass = 24.5065837888 -1.65551238432 1.11820783977 TCL: atom 1: phi = 0.97210474084 TCL: Center of mass = 24.5078849355 -1.65580997386 1.11830938975 TCL: atom 1: phi = 0.971555870163 TCL: Center of mass = 24.5092007125 -1.65610834345 1.11839969585 TCL: atom 1: phi = 0.971103790946 TCL: Center of mass = 24.5105444009 -1.65641136815 1.11849692911 TCL: atom 1: phi = 0.970891962519 TCL: Center of mass = 24.5119191651 -1.65671381969 1.11855364409 TCL: atom 1: phi = 0.970738878581 TCL: Center of mass = 24.5133292918 -1.65699635391 1.1186147078 TCL: atom 1: phi = 0.970735441719 TCL: Center of mass = 24.5147497625 -1.6572408363 1.11866897401 TCL: atom 1: phi = 0.970704616826 TCL: Center of mass = 24.5161861914 -1.65745904026 1.11874600639 TCL: atom 1: phi = 0.970696195129 TCL: Center of mass = 24.5176292976 -1.65766737897 1.11881044708 TCL: atom 1: phi = 0.970639389303 TCL: Center of mass = 24.5190741594 -1.65785103839 1.11886052827 TCL: atom 1: phi = 0.970617986959 TCL: Center of mass = 24.5205182833 -1.65801262537 1.11888536862 TCL: atom 1: phi = 0.970508318206 TCL: Center of mass = 24.5219592575 -1.65812896896 1.11889839104 TCL: atom 1: phi = 0.970422481535 TCL: Center of mass = 24.5234078801 -1.65822025013 1.11888818125 TCL: atom 1: phi = 0.970278889377 TCL: Center of mass = 24.5248608704 -1.65829164642 1.11885391986 TCL: atom 1: phi = 0.970219419466 TCL: Center of mass = 24.5263432042 -1.65835958604 1.11881381095 TCL: atom 1: phi = 0.969995879046 TCL: Center of mass = 24.5278512634 -1.65841875814 1.11877384309 TCL: atom 1: phi = 0.969812943744 TCL: Center of mass = 24.5293963712 -1.65848680899 1.11872672127 TCL: atom 1: phi = 0.969536548254 TCL: Center of mass = 24.5309731828 -1.6585688684 1.11871500741 TCL: atom 1: phi = 0.969363158217 TCL: Center of mass = 24.5325483169 -1.6586817337 1.11873724105 TCL: atom 1: phi = 0.969143934363 TCL: Center of mass = 24.5341435747 -1.65881095986 1.11878407742 TCL: atom 1: phi = 0.969103283783 TCL: Center of mass = 24.5357281989 -1.65895654698 1.11882775397 TCL: atom 1: phi = 0.969149640293 TCL: Center of mass = 24.5373233754 -1.65912615083 1.11887671921 TCL: atom 1: phi = 0.969463268062 TCL: Center of mass = 24.5389177935 -1.65932056633 1.1188774936 TCL: atom 1: phi = 0.969847557949 TCL: Center of mass = 24.5405147557 -1.65951048048 1.11888612671 TCL: atom 1: phi = 0.97049242478 TCL: Center of mass = 24.5421005785 -1.65968610268 1.11886581329 TCL: atom 1: phi = 0.971115899558 TCL: Center of mass = 24.543714 -1.6598403622 1.11883030955 TCL: atom 1: phi = 0.971903755043 TCL: Center of mass = 24.5453510744 -1.66000438654 1.11879083393 TCL: atom 1: phi = 0.97262275535 WRITING COORDINATES TO DCD FILE AT STEP 17600 WRITING COORDINATES TO RESTART FILE AT STEP 17600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17600 FINISHED WRITING RESTART VELOCITIES TIMING: 17600 CPU: 943.19, 0.0541218/step Wall: 1125.51, 0.0648066/step, 0.0432044 hours remaining, 13612 kB of memory in use. ENERGY: 17600 3379.3844 2523.9067 395.8927 45.4259 -44857.3511 4118.0208 0.0000 0.0000 9887.4821 -24507.2385 293.1052 -24361.0726 -24361.4605 292.4971 2079.3230 -244.9095 125000.0000 -524.6159 -524.4608 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17600 TCL: Center of mass = 24.5470414052 -1.66017196778 1.11877852397 TCL: atom 1: phi = 0.973529727524 TCL: Center of mass = 24.5487387256 -1.66032586642 1.11876401336 TCL: atom 1: phi = 0.974366935762 TCL: Center of mass = 24.550452486 -1.66050218327 1.11879587007 TCL: atom 1: phi = 0.975358074151 TCL: Center of mass = 24.5521482772 -1.66069969062 1.11882475502 TCL: atom 1: phi = 0.976321673118 TCL: Center of mass = 24.5538450321 -1.66090199202 1.11887521144 TCL: atom 1: phi = 0.97745756558 TCL: Center of mass = 24.5555283612 -1.66112392392 1.11888475239 TCL: atom 1: phi = 0.978451169536 TCL: Center of mass = 24.557185507 -1.66133256531 1.11891479318 TCL: atom 1: phi = 0.979502966732 TCL: Center of mass = 24.5588300096 -1.66154803187 1.1189020181 TCL: atom 1: phi = 0.980289568725 TCL: Center of mass = 24.560493767 -1.66175453654 1.11889509589 TCL: atom 1: phi = 0.981088469312 TCL: Center of mass = 24.5621327797 -1.6619671757 1.11883672146 TCL: atom 1: phi = 0.981585356157 TCL: Center of mass = 24.5637993011 -1.66217956248 1.11879773687 TCL: atom 1: phi = 0.982107967097 TCL: Center of mass = 24.5654823731 -1.66241785912 1.11874510882 TCL: atom 1: phi = 0.982441091528 TCL: Center of mass = 24.5671861045 -1.66270038156 1.11872392438 TCL: atom 1: phi = 0.982921793135 TCL: Center of mass = 24.5688884455 -1.66301750151 1.11871258744 TCL: atom 1: phi = 0.983289261608 TCL: Center of mass = 24.5706235969 -1.66336483546 1.11870340456 TCL: atom 1: phi = 0.98394138553 TCL: Center of mass = 24.5723595483 -1.66375016117 1.11867248156 TCL: atom 1: phi = 0.984608003982 TCL: Center of mass = 24.574099982 -1.66412736943 1.1186055605 TCL: atom 1: phi = 0.985534307435 TCL: Center of mass = 24.5758205294 -1.66447645751 1.11848414964 TCL: atom 1: phi = 0.986343286881 TCL: Center of mass = 24.5775467394 -1.66479481192 1.118336932 TCL: atom 1: phi = 0.987302236212 TCL: Center of mass = 24.5792532933 -1.66508935066 1.11811815313 TCL: atom 1: phi = 0.988063831367 TCL: Center of mass = 24.5809806381 -1.66535617791 1.11788242214 TCL: atom 1: phi = 0.988901862654 TCL: Center of mass = 24.5827008471 -1.66561345704 1.11762998121 TCL: atom 1: phi = 0.989492395302 TCL: Center of mass = 24.5844556796 -1.66587519599 1.11741493548 TCL: atom 1: phi = 0.990226758075 TCL: Center of mass = 24.5862280975 -1.66612503879 1.11721137178 TCL: atom 1: phi = 0.990650667189 TCL: Center of mass = 24.5880153876 -1.66636878413 1.11704105956 TCL: atom 1: phi = 0.991173419353 TCL: Center of mass = 24.5898006792 -1.66661871647 1.1168555938 TCL: atom 1: phi = 0.991371010021 TCL: Center of mass = 24.5915834257 -1.66685055377 1.11668500846 TCL: atom 1: phi = 0.991576447964 TCL: Center of mass = 24.5933528496 -1.66704728686 1.11648003195 TCL: atom 1: phi = 0.991310060905 TCL: Center of mass = 24.5950981512 -1.66721838892 1.11625506434 TCL: atom 1: phi = 0.990959715671 TCL: Center of mass = 24.5967818222 -1.66737168407 1.11599560177 TCL: atom 1: phi = 0.99018464449 TCL: Center of mass = 24.5984291523 -1.66753610226 1.11576668621 TCL: atom 1: phi = 0.989351032165 TCL: Center of mass = 24.6000437285 -1.66769718235 1.11553488457 TCL: atom 1: phi = 0.988201324603 TCL: Center of mass = 24.601653441 -1.66787401006 1.11536067405 TCL: atom 1: phi = 0.987153211824 TCL: Center of mass = 24.6032529268 -1.66807833832 1.1152003038 TCL: atom 1: phi = 0.985992071653 TCL: Center of mass = 24.6048754352 -1.66831264451 1.11507168161 TCL: atom 1: phi = 0.985056970238 TCL: Center of mass = 24.6064711773 -1.66857318813 1.11497645835 TCL: atom 1: phi = 0.984109430507 TCL: Center of mass = 24.6080753619 -1.66885637229 1.11490224653 TCL: atom 1: phi = 0.983427590007 TCL: Center of mass = 24.6096565553 -1.66914590167 1.11483018637 TCL: atom 1: phi = 0.982681266379 TCL: Center of mass = 24.6112330155 -1.66943377668 1.11475479586 TCL: atom 1: phi = 0.982147407356 TCL: Center of mass = 24.6127481602 -1.66968916003 1.11465943329 TCL: atom 1: phi = 0.98155267201 TCL: Center of mass = 24.6142561328 -1.66992783609 1.1145346106 TCL: atom 1: phi = 0.98116081467 TCL: Center of mass = 24.6157333509 -1.67013907478 1.11437017792 TCL: atom 1: phi = 0.980776178766 TCL: Center of mass = 24.6171946626 -1.67034959572 1.11419813884 TCL: atom 1: phi = 0.980709461267 TCL: Center of mass = 24.618665024 -1.67055379315 1.11401547914 TCL: atom 1: phi = 0.980671085075 TCL: Center of mass = 24.6201715985 -1.67076971683 1.11385526069 TCL: atom 1: phi = 0.980898309857 TCL: Center of mass = 24.6216956851 -1.67096199485 1.11369319866 TCL: atom 1: phi = 0.981054027078 TCL: Center of mass = 24.6232462244 -1.67115230096 1.11355980237 TCL: atom 1: phi = 0.981332422366 TCL: Center of mass = 24.6248122963 -1.67131357009 1.11340918963 TCL: atom 1: phi = 0.98145839997 TCL: Center of mass = 24.6263939943 -1.67146129893 1.11323175599 TCL: atom 1: phi = 0.981641532904 TCL: Center of mass = 24.6279576736 -1.67157694785 1.11303796476 TCL: atom 1: phi = 0.9816274416 TCL: Center of mass = 24.6295243935 -1.67168957911 1.11283689194 TCL: atom 1: phi = 0.981717047477 TCL: Center of mass = 24.6310470489 -1.67179234697 1.11264291288 TCL: atom 1: phi = 0.981681438069 TCL: Center of mass = 24.6325506819 -1.67188547726 1.1124661252 TCL: atom 1: phi = 0.981810319275 TCL: Center of mass = 24.6340185356 -1.67198918801 1.11231747876 TCL: atom 1: phi = 0.98201088685 TCL: Center of mass = 24.635507865 -1.67211056495 1.11220002975 TCL: atom 1: phi = 0.98259209234 TCL: Center of mass = 24.6370147377 -1.67223222453 1.11211217089 TCL: atom 1: phi = 0.983233601959 TCL: Center of mass = 24.63852297 -1.6723698512 1.11206889121 TCL: atom 1: phi = 0.984208063767 TCL: Center of mass = 24.6400478961 -1.67248057538 1.11204451861 TCL: atom 1: phi = 0.985175030325 TCL: Center of mass = 24.641597169 -1.67257882627 1.11204479491 TCL: atom 1: phi = 0.986282161339 TCL: Center of mass = 24.6431356533 -1.67265735466 1.11206436282 TCL: atom 1: phi = 0.987325797597 TCL: Center of mass = 24.6446685482 -1.67272531912 1.11211153816 TCL: atom 1: phi = 0.988475439613 TCL: Center of mass = 24.6461759686 -1.67279241056 1.11217176461 TCL: atom 1: phi = 0.989532411272 TCL: Center of mass = 24.6476709593 -1.67286135218 1.11223335305 TCL: atom 1: phi = 0.990689185917 TCL: Center of mass = 24.6491452039 -1.67294376372 1.11228246417 TCL: atom 1: phi = 0.991756794806 TCL: Center of mass = 24.6505992193 -1.67302547665 1.11233027375 TCL: atom 1: phi = 0.992917770671 TCL: Center of mass = 24.6520577059 -1.6731027204 1.11235834336 TCL: atom 1: phi = 0.994014065844 TCL: Center of mass = 24.6535364415 -1.67315558722 1.11237203686 TCL: atom 1: phi = 0.995178500802 TCL: Center of mass = 24.6550454714 -1.67317056687 1.11237731482 TCL: atom 1: phi = 0.996092674592 TCL: Center of mass = 24.656600271 -1.67316265378 1.11239434296 TCL: atom 1: phi = 0.996914887895 TCL: Center of mass = 24.6581883006 -1.67317052361 1.11240998474 TCL: atom 1: phi = 0.997472772442 TCL: Center of mass = 24.6598084907 -1.67320211646 1.11245123186 TCL: atom 1: phi = 0.997962744682 TCL: Center of mass = 24.6614143013 -1.67326263615 1.11246869803 TCL: atom 1: phi = 0.998156624164 TCL: Center of mass = 24.6630123119 -1.67333442322 1.11250341961 TCL: atom 1: phi = 0.99837002444 TCL: Center of mass = 24.6646064995 -1.67342721292 1.11254867035 TCL: atom 1: phi = 0.99845156597 TCL: Center of mass = 24.6661828704 -1.67353105363 1.11257073579 TCL: atom 1: phi = 0.998612176116 TCL: Center of mass = 24.6677444458 -1.67363851058 1.11256182603 TCL: atom 1: phi = 0.998725863091 TCL: Center of mass = 24.6693290019 -1.67375672045 1.11253063871 TCL: atom 1: phi = 0.998984071218 TCL: Center of mass = 24.6709380088 -1.67387095959 1.11247508255 TCL: atom 1: phi = 0.999216166944 TCL: Center of mass = 24.6725772832 -1.6739448556 1.11240774777 TCL: atom 1: phi = 0.999541769275 TCL: Center of mass = 24.6742209961 -1.67399478797 1.11234281916 TCL: atom 1: phi = 0.999784239609 TCL: Center of mass = 24.675890651 -1.67403225587 1.11230672454 TCL: atom 1: phi = 1.00008607588 TCL: Center of mass = 24.6775487191 -1.67408762171 1.11229521639 TCL: atom 1: phi = 1.00032867056 TCL: Center of mass = 24.6792225698 -1.67414836989 1.1122928065 TCL: atom 1: phi = 1.0006159447 TCL: Center of mass = 24.6808786768 -1.67420944101 1.11226519121 TCL: atom 1: phi = 1.00081584499 TCL: Center of mass = 24.6825151057 -1.67426891357 1.11224342081 TCL: atom 1: phi = 1.00112108864 TCL: Center of mass = 24.6841344972 -1.67428479277 1.11217604595 TCL: atom 1: phi = 1.00140889566 TCL: Center of mass = 24.6857593751 -1.67427449492 1.11208279003 TCL: atom 1: phi = 1.00186975158 TCL: Center of mass = 24.6873970543 -1.67422476078 1.11193494808 TCL: atom 1: phi = 1.00228745695 TCL: Center of mass = 24.6890408936 -1.6741392736 1.11178901304 TCL: atom 1: phi = 1.00283551725 TCL: Center of mass = 24.6907088764 -1.67403849819 1.11164764929 TCL: atom 1: phi = 1.00323649185 TCL: Center of mass = 24.6924082874 -1.67394877298 1.11155310783 TCL: atom 1: phi = 1.0036521152 TCL: Center of mass = 24.6941306495 -1.67389252049 1.11146328023 TCL: atom 1: phi = 1.00387006765 TCL: Center of mass = 24.695875066 -1.67386091099 1.111414025 TCL: atom 1: phi = 1.0040546686 TCL: Center of mass = 24.6976163679 -1.67385175988 1.11137859841 TCL: atom 1: phi = 1.00408047427 TCL: Center of mass = 24.6993774508 -1.6738467135 1.11133146661 TCL: atom 1: phi = 1.00421045508 TCL: Center of mass = 24.7010887632 -1.67386684881 1.11125721155 TCL: atom 1: phi = 1.0042744045 TCL: Center of mass = 24.7027829114 -1.67388990583 1.11116851795 TCL: atom 1: phi = 1.00447908429 TCL: Center of mass = 24.7044657871 -1.67392460852 1.11104350989 TCL: atom 1: phi = 1.00462408115 TCL: Center of mass = 24.7061454086 -1.67394540498 1.11091893444 TCL: atom 1: phi = 1.00486536345 TCL: Center of mass = 24.7077904832 -1.67397096218 1.11078039104 TCL: atom 1: phi = 1.00504276581 WRITING COORDINATES TO DCD FILE AT STEP 17700 WRITING COORDINATES TO RESTART FILE AT STEP 17700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17700 FINISHED WRITING RESTART VELOCITIES TIMING: 17700 CPU: 948.602, 0.0541218/step Wall: 1131.98, 0.0646042/step, 0.0412749 hours remaining, 13612 kB of memory in use. ENERGY: 17700 3405.6481 2466.2337 398.5134 40.7333 -44726.7004 4158.8346 0.0000 0.0000 9790.6670 -24466.0703 290.2352 -24318.0983 -24325.9346 292.0238 2192.0339 -102.2009 125000.0000 -279.8531 -279.7025 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17700 TCL: Center of mass = 24.7094350835 -1.67401868957 1.11066472042 TCL: atom 1: phi = 1.0052911884 TCL: Center of mass = 24.7110707683 -1.67410182741 1.11056767557 TCL: atom 1: phi = 1.00541071911 TCL: Center of mass = 24.7127062048 -1.67423782651 1.11051200511 TCL: atom 1: phi = 1.00554986806 TCL: Center of mass = 24.7142981394 -1.67441580516 1.11046608597 TCL: atom 1: phi = 1.00552019791 TCL: Center of mass = 24.7158716686 -1.67462812213 1.11043804798 TCL: atom 1: phi = 1.00557192333 TCL: Center of mass = 24.7174002154 -1.67486979811 1.11038615168 TCL: atom 1: phi = 1.00553630215 TCL: Center of mass = 24.7188891856 -1.67512095584 1.11030805019 TCL: atom 1: phi = 1.00557982448 TCL: Center of mass = 24.7203027912 -1.67535349223 1.11018750287 TCL: atom 1: phi = 1.00552068134 TCL: Center of mass = 24.721665964 -1.67554797379 1.1100502396 TCL: atom 1: phi = 1.00557552009 TCL: Center of mass = 24.7229829206 -1.67573421522 1.10988926792 TCL: atom 1: phi = 1.0055202941 TCL: Center of mass = 24.724296032 -1.67589136956 1.10975747079 TCL: atom 1: phi = 1.00548525893 TCL: Center of mass = 24.7256071298 -1.67605192627 1.10965226158 TCL: atom 1: phi = 1.00533223243 TCL: Center of mass = 24.7269367716 -1.67620426056 1.10960944555 TCL: atom 1: phi = 1.00522209567 TCL: Center of mass = 24.7282798213 -1.6763462694 1.10959511967 TCL: atom 1: phi = 1.00501208559 TCL: Center of mass = 24.7296636897 -1.67647838494 1.10959537248 TCL: atom 1: phi = 1.00500755565 TCL: Center of mass = 24.731069856 -1.6765899441 1.10960814308 TCL: atom 1: phi = 1.00506407245 TCL: Center of mass = 24.7324903078 -1.67668591498 1.10961408977 TCL: atom 1: phi = 1.00536565447 TCL: Center of mass = 24.7339192158 -1.67676049231 1.10959455403 TCL: atom 1: phi = 1.00571547624 TCL: Center of mass = 24.7353522143 -1.67678397183 1.10957279598 TCL: atom 1: phi = 1.00625360232 TCL: Center of mass = 24.7367762017 -1.67680461223 1.10951289238 TCL: atom 1: phi = 1.006741876 TCL: Center of mass = 24.7381754446 -1.67679625904 1.10945105649 TCL: atom 1: phi = 1.00730285936 TCL: Center of mass = 24.7395619121 -1.67678330362 1.10938879558 TCL: atom 1: phi = 1.00777021118 TCL: Center of mass = 24.7409504087 -1.67677110896 1.10933861256 TCL: atom 1: phi = 1.00827783665 TCL: Center of mass = 24.7423370377 -1.67675701569 1.109272631 TCL: atom 1: phi = 1.00863631827 TCL: Center of mass = 24.7437547132 -1.67674655095 1.10921121858 TCL: atom 1: phi = 1.00906488098 TCL: Center of mass = 24.7451799118 -1.67672464042 1.10910184737 TCL: atom 1: phi = 1.00934268774 TCL: Center of mass = 24.7466310449 -1.67670585335 1.10899088986 TCL: atom 1: phi = 1.00974860815 TCL: Center of mass = 24.7480936392 -1.67668618731 1.10882722485 TCL: atom 1: phi = 1.01006946109 TCL: Center of mass = 24.7495454671 -1.6766766419 1.10864990116 TCL: atom 1: phi = 1.01049217575 TCL: Center of mass = 24.7509701937 -1.6766962089 1.10844575822 TCL: atom 1: phi = 1.010865177 TCL: Center of mass = 24.7523770224 -1.67670593929 1.10821583305 TCL: atom 1: phi = 1.01130537984 TCL: Center of mass = 24.7537481636 -1.67671820138 1.1079968326 TCL: atom 1: phi = 1.01173317463 TCL: Center of mass = 24.7551228876 -1.67673372457 1.10778197903 TCL: atom 1: phi = 1.0122261324 TCL: Center of mass = 24.7565010795 -1.6767583641 1.10756518226 TCL: atom 1: phi = 1.01271764885 TCL: Center of mass = 24.7579303194 -1.6767924362 1.10735080532 TCL: atom 1: phi = 1.01326214282 TCL: Center of mass = 24.7593892518 -1.67682872762 1.10714983759 TCL: atom 1: phi = 1.01373541064 TCL: Center of mass = 24.7609193211 -1.67686931632 1.10696592547 TCL: atom 1: phi = 1.01435635053 TCL: Center of mass = 24.7624633455 -1.6769287689 1.10678849432 TCL: atom 1: phi = 1.01495856735 TCL: Center of mass = 24.7640123555 -1.67697174001 1.1066397413 TCL: atom 1: phi = 1.0157393935 TCL: Center of mass = 24.7655756998 -1.67704068229 1.10650074335 TCL: atom 1: phi = 1.0165529915 TCL: Center of mass = 24.7671257755 -1.67713442551 1.10640100176 TCL: atom 1: phi = 1.01752561104 TCL: Center of mass = 24.7686738792 -1.67724103872 1.10632460688 TCL: atom 1: phi = 1.01847255132 TCL: Center of mass = 24.7702063057 -1.67734966919 1.1062687461 TCL: atom 1: phi = 1.01941798957 TCL: Center of mass = 24.7717375227 -1.6774753451 1.10622815996 TCL: atom 1: phi = 1.02018354288 TCL: Center of mass = 24.7733009327 -1.67762670744 1.10619334358 TCL: atom 1: phi = 1.02084052027 TCL: Center of mass = 24.7748966489 -1.67777476686 1.10612039717 TCL: atom 1: phi = 1.02121925921 TCL: Center of mass = 24.776533783 -1.67791736076 1.10604247951 TCL: atom 1: phi = 1.02147452543 TCL: Center of mass = 24.7782067623 -1.67804436697 1.10592814899 TCL: atom 1: phi = 1.02147955238 TCL: Center of mass = 24.7798731673 -1.67816742954 1.10580692253 TCL: atom 1: phi = 1.02146426836 TCL: Center of mass = 24.7815436731 -1.67831190073 1.10566377601 TCL: atom 1: phi = 1.02127734009 TCL: Center of mass = 24.783202389 -1.67846814797 1.10552484982 TCL: atom 1: phi = 1.02108609504 TCL: Center of mass = 24.7848279838 -1.67867153983 1.10534682392 TCL: atom 1: phi = 1.0207418157 TCL: Center of mass = 24.7864327957 -1.67889319544 1.10514211007 TCL: atom 1: phi = 1.02031377424 TCL: Center of mass = 24.788006983 -1.67910064073 1.10489788769 TCL: atom 1: phi = 1.01969795766 TCL: Center of mass = 24.7895785223 -1.67928703042 1.10461509262 TCL: atom 1: phi = 1.01900081373 TCL: Center of mass = 24.7911646933 -1.67943348201 1.10429727852 TCL: atom 1: phi = 1.01813851846 TCL: Center of mass = 24.7927716843 -1.67954280692 1.10395272865 TCL: atom 1: phi = 1.0173453505 TCL: Center of mass = 24.7944075043 -1.67961307636 1.10359826046 TCL: atom 1: phi = 1.01649038103 TCL: Center of mass = 24.7960830135 -1.67967571328 1.10325202546 TCL: atom 1: phi = 1.01580254692 TCL: Center of mass = 24.7977831324 -1.6797384361 1.10295417162 TCL: atom 1: phi = 1.01514694629 TCL: Center of mass = 24.7994901697 -1.67980115241 1.10271271365 TCL: atom 1: phi = 1.01474294811 TCL: Center of mass = 24.8012017158 -1.67988031417 1.10251762096 TCL: atom 1: phi = 1.01447569108 TCL: Center of mass = 24.8029049982 -1.67998283115 1.10236326729 TCL: atom 1: phi = 1.01440638505 TCL: Center of mass = 24.8045701709 -1.6800816347 1.10223544261 TCL: atom 1: phi = 1.01431063027 TCL: Center of mass = 24.8062408611 -1.68018532427 1.10212408356 TCL: atom 1: phi = 1.01426919133 TCL: Center of mass = 24.8078854085 -1.68028188903 1.10200009751 TCL: atom 1: phi = 1.01407829509 TCL: Center of mass = 24.809564048 -1.68036682738 1.10187714462 TCL: atom 1: phi = 1.01392651838 TCL: Center of mass = 24.8112461786 -1.68044064794 1.10174161803 TCL: atom 1: phi = 1.01365449169 TCL: Center of mass = 24.8129669241 -1.6805229668 1.10164024941 TCL: atom 1: phi = 1.01356638937 TCL: Center of mass = 24.8146956058 -1.68061100154 1.1015628736 TCL: atom 1: phi = 1.01356320796 TCL: Center of mass = 24.8164244236 -1.6807109525 1.10153227069 TCL: atom 1: phi = 1.0138356638 TCL: Center of mass = 24.818128769 -1.68083425509 1.10152497361 TCL: atom 1: phi = 1.01419126368 TCL: Center of mass = 24.8198202521 -1.68098512824 1.10154046596 TCL: atom 1: phi = 1.01472810062 TCL: Center of mass = 24.8214500905 -1.68115812473 1.10155003614 TCL: atom 1: phi = 1.01523587439 TCL: Center of mass = 24.8230572258 -1.68133876436 1.10153781743 TCL: atom 1: phi = 1.01573594391 TCL: Center of mass = 24.8246322431 -1.68150283483 1.1014788612 TCL: atom 1: phi = 1.01605375318 TCL: Center of mass = 24.826178654 -1.68166238165 1.10138748042 TCL: atom 1: phi = 1.01630406551 TCL: Center of mass = 24.8276989705 -1.68179082232 1.10126598858 TCL: atom 1: phi = 1.01633495097 TCL: Center of mass = 24.829211498 -1.68192023982 1.10115629858 TCL: atom 1: phi = 1.01645019841 TCL: Center of mass = 24.8306842027 -1.68203295198 1.1010560626 TCL: atom 1: phi = 1.01651919413 TCL: Center of mass = 24.8321472209 -1.68214543863 1.10099429345 TCL: atom 1: phi = 1.01681421463 TCL: Center of mass = 24.8335748549 -1.68228837244 1.10098689057 TCL: atom 1: phi = 1.0171847864 TCL: Center of mass = 24.8349953843 -1.68245019768 1.10103405669 TCL: atom 1: phi = 1.01778204242 TCL: Center of mass = 24.8363546678 -1.68264266171 1.10112706777 TCL: atom 1: phi = 1.01829785655 TCL: Center of mass = 24.8376831105 -1.68286320237 1.10124248935 TCL: atom 1: phi = 1.01883027059 TCL: Center of mass = 24.8389578093 -1.68310277714 1.10135704731 TCL: atom 1: phi = 1.01912053166 TCL: Center of mass = 24.8402092929 -1.68336499572 1.10147356599 TCL: atom 1: phi = 1.01933873453 TCL: Center of mass = 24.8414220227 -1.6836385377 1.10159279472 TCL: atom 1: phi = 1.01930955822 TCL: Center of mass = 24.8426232117 -1.68394142183 1.10171821239 TCL: atom 1: phi = 1.01927231104 TCL: Center of mass = 24.8438117493 -1.68429447518 1.10186232675 TCL: atom 1: phi = 1.01912920333 TCL: Center of mass = 24.8450217443 -1.68471434883 1.10204120479 TCL: atom 1: phi = 1.01914281978 TCL: Center of mass = 24.8462220494 -1.68518308431 1.10224813069 TCL: atom 1: phi = 1.01909058803 TCL: Center of mass = 24.8474455245 -1.6856945521 1.10249035456 TCL: atom 1: phi = 1.01917382382 TCL: Center of mass = 24.8486694856 -1.68623025167 1.10273782419 TCL: atom 1: phi = 1.01916722388 TCL: Center of mass = 24.8498871809 -1.68675675163 1.10298144921 TCL: atom 1: phi = 1.01922783805 TCL: Center of mass = 24.8510492727 -1.6872651827 1.10317584852 TCL: atom 1: phi = 1.01917263565 TCL: Center of mass = 24.8521749347 -1.68776675321 1.10333749845 TCL: atom 1: phi = 1.01916648484 TCL: Center of mass = 24.8532262658 -1.68825058814 1.10342302435 TCL: atom 1: phi = 1.01897738113 TCL: Center of mass = 24.8542477638 -1.68871465672 1.10350375018 TCL: atom 1: phi = 1.01891483089 TCL: Center of mass = 24.8552310818 -1.68916954772 1.10355628644 TCL: atom 1: phi = 1.01878466803 WRITING COORDINATES TO DCD FILE AT STEP 17800 WRITING COORDINATES TO RESTART FILE AT STEP 17800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17800 FINISHED WRITING RESTART VELOCITIES TIMING: 17800 CPU: 953.99, 0.0538818/step Wall: 1138.42, 0.0644461/step, 0.0393837 hours remaining, 13612 kB of memory in use. ENERGY: 17800 3413.8932 2517.8314 386.2524 45.7514 -44927.5296 4198.6227 0.0000 0.0000 9957.6646 -24407.5138 295.1857 -24260.9886 -24262.2920 293.7050 2092.0228 -379.8750 125000.0000 -320.9107 -319.9354 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17800 TCL: Center of mass = 24.8562389042 -1.68963546064 1.10358119655 TCL: atom 1: phi = 1.01888700729 TCL: Center of mass = 24.8572436918 -1.69011294301 1.10360151057 TCL: atom 1: phi = 1.01900818901 TCL: Center of mass = 24.8582493913 -1.69058640512 1.10362983304 TCL: atom 1: phi = 1.01935152201 TCL: Center of mass = 24.8592414423 -1.6910464043 1.10363764086 TCL: atom 1: phi = 1.01971589981 TCL: Center of mass = 24.8602242266 -1.69149968129 1.10363865588 TCL: atom 1: phi = 1.02019171119 TCL: Center of mass = 24.8611943941 -1.69190654306 1.10362927912 TCL: atom 1: phi = 1.02048090117 TCL: Center of mass = 24.8621734887 -1.69230842077 1.10359659593 TCL: atom 1: phi = 1.02070726522 TCL: Center of mass = 24.8631136645 -1.69270019106 1.1035553006 TCL: atom 1: phi = 1.02071104286 TCL: Center of mass = 24.8640151368 -1.69309546685 1.10353075502 TCL: atom 1: phi = 1.02076091831 TCL: Center of mass = 24.8648805806 -1.69351250771 1.10353179684 TCL: atom 1: phi = 1.02071841388 TCL: Center of mass = 24.8657373771 -1.69394822759 1.10358039997 TCL: atom 1: phi = 1.02085498888 TCL: Center of mass = 24.8666142642 -1.69442000729 1.10368594688 TCL: atom 1: phi = 1.02108514222 TCL: Center of mass = 24.86752867 -1.69493537595 1.10384948492 TCL: atom 1: phi = 1.02153419373 TCL: Center of mass = 24.8684959973 -1.69547165928 1.10405781131 TCL: atom 1: phi = 1.02195938318 TCL: Center of mass = 24.8695066022 -1.6959923407 1.1043057848 TCL: atom 1: phi = 1.02245323669 TCL: Center of mass = 24.8705689524 -1.69650008222 1.10454918408 TCL: atom 1: phi = 1.02277421402 TCL: Center of mass = 24.8716624198 -1.6969955373 1.10478523085 TCL: atom 1: phi = 1.02301445567 TCL: Center of mass = 24.8727644109 -1.69749222521 1.10501683463 TCL: atom 1: phi = 1.02298387967 TCL: Center of mass = 24.8738807092 -1.69798662307 1.10526443787 TCL: atom 1: phi = 1.02290017285 TCL: Center of mass = 24.8749494767 -1.69851461617 1.1055110592 TCL: atom 1: phi = 1.02260343365 TCL: Center of mass = 24.8760129858 -1.69904211625 1.10577220255 TCL: atom 1: phi = 1.02240866301 TCL: Center of mass = 24.8770684963 -1.69957991437 1.10602969181 TCL: atom 1: phi = 1.02214256008 TCL: Center of mass = 24.8781262515 -1.70013032847 1.10630478912 TCL: atom 1: phi = 1.02204391664 TCL: Center of mass = 24.8791773438 -1.70067950228 1.10657009635 TCL: atom 1: phi = 1.02189158236 TCL: Center of mass = 24.880252796 -1.70121535588 1.10681278179 TCL: atom 1: phi = 1.02176810184 TCL: Center of mass = 24.8813514785 -1.70172015366 1.10703852446 TCL: atom 1: phi = 1.02143446349 TCL: Center of mass = 24.8824983883 -1.70218481046 1.1072546492 TCL: atom 1: phi = 1.02094087946 TCL: Center of mass = 24.883674712 -1.70263573405 1.10746014415 TCL: atom 1: phi = 1.02016470726 TCL: Center of mass = 24.8848807973 -1.70309469815 1.10764939241 TCL: atom 1: phi = 1.0192977557 TCL: Center of mass = 24.8860717283 -1.70356383355 1.10783176751 TCL: atom 1: phi = 1.01830005363 TCL: Center of mass = 24.8872453086 -1.70404813489 1.10803381332 TCL: atom 1: phi = 1.01747961046 TCL: Center of mass = 24.8883884394 -1.70453628841 1.10825065756 TCL: atom 1: phi = 1.01673828373 TCL: Center of mass = 24.8895285371 -1.70503683798 1.10849257256 TCL: atom 1: phi = 1.01623956266 TCL: Center of mass = 24.8906721115 -1.70552157176 1.10872920608 TCL: atom 1: phi = 1.01581873436 TCL: Center of mass = 24.8918422487 -1.70602596865 1.10896461821 TCL: atom 1: phi = 1.01559055473 TCL: Center of mass = 24.8930322661 -1.70652693718 1.10918538051 TCL: atom 1: phi = 1.01540066201 TCL: Center of mass = 24.8942548662 -1.70704095623 1.10939628063 TCL: atom 1: phi = 1.01536348442 TCL: Center of mass = 24.8955081765 -1.70755930652 1.10961707225 TCL: atom 1: phi = 1.01532177319 TCL: Center of mass = 24.8968221421 -1.70811773451 1.10984915801 TCL: atom 1: phi = 1.01544882376 TCL: Center of mass = 24.8981706441 -1.70870015291 1.11009584347 TCL: atom 1: phi = 1.01561848922 TCL: Center of mass = 24.8995505016 -1.70930787828 1.11038000711 TCL: atom 1: phi = 1.01605965185 TCL: Center of mass = 24.9009274042 -1.70989124844 1.11067226746 TCL: atom 1: phi = 1.01662376033 TCL: Center of mass = 24.9023039796 -1.71048512162 1.11097061444 TCL: atom 1: phi = 1.01748599547 TCL: Center of mass = 24.9036561226 -1.71106610703 1.11123752028 TCL: atom 1: phi = 1.01845037051 TCL: Center of mass = 24.9050158019 -1.71161318029 1.11148150089 TCL: atom 1: phi = 1.01950156237 TCL: Center of mass = 24.9063636713 -1.7121007746 1.111689702 TCL: atom 1: phi = 1.02043691098 TCL: Center of mass = 24.907718711 -1.71257762409 1.11187167412 TCL: atom 1: phi = 1.02128423148 TCL: Center of mass = 24.9090841978 -1.71302705647 1.11205368443 TCL: atom 1: phi = 1.02187292322 TCL: Center of mass = 24.9104663431 -1.71347802517 1.11223356775 TCL: atom 1: phi = 1.02239659726 TCL: Center of mass = 24.9118600267 -1.71392420323 1.11242103304 TCL: atom 1: phi = 1.02276330197 TCL: Center of mass = 24.9132646387 -1.71437343706 1.11259493442 TCL: atom 1: phi = 1.02317830625 TCL: Center of mass = 24.9146573641 -1.71479747014 1.11276563175 TCL: atom 1: phi = 1.02352410887 TCL: Center of mass = 24.9160527116 -1.71521373597 1.11292417271 TCL: atom 1: phi = 1.02399478666 TCL: Center of mass = 24.9174368075 -1.71558103054 1.11306944727 TCL: atom 1: phi = 1.02436302735 TCL: Center of mass = 24.9188112911 -1.71590043589 1.11318555871 TCL: atom 1: phi = 1.02477331046 TCL: Center of mass = 24.9201799625 -1.71620670428 1.11324488189 TCL: atom 1: phi = 1.02502322661 TCL: Center of mass = 24.9215565534 -1.71648593657 1.11326118207 TCL: atom 1: phi = 1.02521294742 TCL: Center of mass = 24.9229424595 -1.71676936197 1.11324233128 TCL: atom 1: phi = 1.0252375094 TCL: Center of mass = 24.9243489794 -1.71706521218 1.11320362073 TCL: atom 1: phi = 1.02528835132 TCL: Center of mass = 24.9257722418 -1.7173941291 1.11318022558 TCL: atom 1: phi = 1.0253095274 TCL: Center of mass = 24.9272321902 -1.71774993939 1.11319260229 TCL: atom 1: phi = 1.02545620084 TCL: Center of mass = 24.9287042151 -1.71811110911 1.11323464112 TCL: atom 1: phi = 1.02570715846 TCL: Center of mass = 24.9302012219 -1.71848652252 1.11329506631 TCL: atom 1: phi = 1.02621406682 TCL: Center of mass = 24.931699328 -1.71886616546 1.11335036949 TCL: atom 1: phi = 1.0268225825 TCL: Center of mass = 24.9332073532 -1.71922879295 1.1134035444 TCL: atom 1: phi = 1.02767911881 TCL: Center of mass = 24.934723143 -1.71957747744 1.11344386913 TCL: atom 1: phi = 1.02861544578 TCL: Center of mass = 24.936248251 -1.71991060452 1.1134908779 TCL: atom 1: phi = 1.02965598216 TCL: Center of mass = 24.9377393297 -1.7202418558 1.11353931462 TCL: atom 1: phi = 1.03056962708 TCL: Center of mass = 24.9392243241 -1.72056380284 1.11361384714 TCL: atom 1: phi = 1.03152555781 TCL: Center of mass = 24.9406716982 -1.72090030197 1.11372755322 TCL: atom 1: phi = 1.03238675652 TCL: Center of mass = 24.9421236236 -1.72122996455 1.1139048208 TCL: atom 1: phi = 1.03325940809 TCL: Center of mass = 24.9435601128 -1.72155745906 1.11414744268 TCL: atom 1: phi = 1.03402766088 TCL: Center of mass = 24.9449697332 -1.72187163103 1.1144265874 TCL: atom 1: phi = 1.03486309842 TCL: Center of mass = 24.9463414394 -1.72215998363 1.11473400865 TCL: atom 1: phi = 1.03555115851 TCL: Center of mass = 24.9476891819 -1.72242126687 1.1150560652 TCL: atom 1: phi = 1.03618973551 TCL: Center of mass = 24.948986031 -1.72265018768 1.11533634718 TCL: atom 1: phi = 1.03665113337 TCL: Center of mass = 24.9502659235 -1.72285814514 1.11559143733 TCL: atom 1: phi = 1.03701397425 TCL: Center of mass = 24.9514715007 -1.72310459798 1.11582521794 TCL: atom 1: phi = 1.03711542487 TCL: Center of mass = 24.952672734 -1.72335911066 1.11605905419 TCL: atom 1: phi = 1.03710554799 TCL: Center of mass = 24.9538294458 -1.72364616709 1.11630885999 TCL: atom 1: phi = 1.03686175788 TCL: Center of mass = 24.9550030282 -1.72394950494 1.11657343104 TCL: atom 1: phi = 1.03658260494 TCL: Center of mass = 24.9561724007 -1.72425452961 1.11684931502 TCL: atom 1: phi = 1.03616780012 TCL: Center of mass = 24.9573577275 -1.72455027282 1.11711698034 TCL: atom 1: phi = 1.03581842151 TCL: Center of mass = 24.9585577049 -1.72486581907 1.11736778029 TCL: atom 1: phi = 1.03545395021 TCL: Center of mass = 24.9597626313 -1.72519417321 1.11758580451 TCL: atom 1: phi = 1.03522414805 TCL: Center of mass = 24.9609200132 -1.72551932077 1.11776648338 TCL: atom 1: phi = 1.03501807406 TCL: Center of mass = 24.9620577052 -1.72586563851 1.11791821836 TCL: atom 1: phi = 1.03490371912 TCL: Center of mass = 24.963146296 -1.72621379703 1.11806730465 TCL: atom 1: phi = 1.03477183909 TCL: Center of mass = 24.964211105 -1.72659742157 1.11821767734 TCL: atom 1: phi = 1.03473477992 TCL: Center of mass = 24.9652424743 -1.72700060026 1.118416819 TCL: atom 1: phi = 1.03464041343 TCL: Center of mass = 24.9662687665 -1.72742450196 1.11867577485 TCL: atom 1: phi = 1.03468710342 TCL: Center of mass = 24.9672693478 -1.72783907987 1.11899024987 TCL: atom 1: phi = 1.03466083892 TCL: Center of mass = 24.9682678149 -1.72822700847 1.11933500004 TCL: atom 1: phi = 1.03463508198 TCL: Center of mass = 24.9692422516 -1.72858981549 1.11967465361 TCL: atom 1: phi = 1.03454325514 TCL: Center of mass = 24.9702365589 -1.72890639356 1.12001479408 TCL: atom 1: phi = 1.03445852277 TCL: Center of mass = 24.971214661 -1.72921691909 1.12033975841 TCL: atom 1: phi = 1.03423175295 TCL: Center of mass = 24.972192852 -1.72950628038 1.1206569818 TCL: atom 1: phi = 1.03398931083 TCL: Center of mass = 24.9731328352 -1.72980084065 1.12097769653 TCL: atom 1: phi = 1.0336615245 TCL: Center of mass = 24.9740650754 -1.73013575343 1.12131191886 TCL: atom 1: phi = 1.03331089132 TCL: Center of mass = 24.9749555353 -1.73048798776 1.12164698351 TCL: atom 1: phi = 1.0328337995 WRITING COORDINATES TO DCD FILE AT STEP 17900 WRITING COORDINATES TO RESTART FILE AT STEP 17900 FINISHED WRITING RESTART COORDINATES TIMING: 17900 CPU: 959.41, 0.0542017/step Wall: 1144.81, 0.0638559/step, 0.0372493 hours remaining, 13612 kB of memory in use. ENERGY: 17900 3409.4579 2532.0553 382.8467 39.1083 -44930.8414 4186.5199 0.0000 0.0000 10000.1941 -24380.6592 296.4464 -24235.1821 -24231.7155 295.2244 2653.9206 -170.1358 125000.0000 -115.2628 -121.0765 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17900 WRITING VELOCITIES TO RESTART FILE AT STEP 17900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 24.9758423156 -1.73086060536 1.12200049336 TCL: atom 1: phi = 1.03232484094 TCL: Center of mass = 24.9767096728 -1.73124557863 1.12235127913 TCL: atom 1: phi = 1.03171362157 TCL: Center of mass = 24.9776091978 -1.73164451225 1.12268924276 TCL: atom 1: phi = 1.03107196169 TCL: Center of mass = 24.9785323792 -1.73201274222 1.12299618173 TCL: atom 1: phi = 1.03031656693 TCL: Center of mass = 24.9795102686 -1.73236516399 1.1232743234 TCL: atom 1: phi = 1.02961777193 TCL: Center of mass = 24.9805062412 -1.73273934013 1.12349814959 TCL: atom 1: phi = 1.02887689737 TCL: Center of mass = 24.9815196563 -1.73315422939 1.1236887703 TCL: atom 1: phi = 1.02822432414 TCL: Center of mass = 24.9825435768 -1.73361358911 1.12385964469 TCL: atom 1: phi = 1.0276538829 TCL: Center of mass = 24.9835797558 -1.73411590939 1.12404719319 TCL: atom 1: phi = 1.02725354856 TCL: Center of mass = 24.9845802631 -1.73465725353 1.12425354145 TCL: atom 1: phi = 1.0269553015 TCL: Center of mass = 24.9855787596 -1.73524264026 1.12451548543 TCL: atom 1: phi = 1.026825023 TCL: Center of mass = 24.9865637433 -1.73582163379 1.12481492174 TCL: atom 1: phi = 1.02671506742 TCL: Center of mass = 24.9875478538 -1.73637559311 1.12515288832 TCL: atom 1: phi = 1.02672391065 TCL: Center of mass = 24.9885051833 -1.73689436756 1.12551407641 TCL: atom 1: phi = 1.02674800912 TCL: Center of mass = 24.9894808094 -1.73739725308 1.12591279638 TCL: atom 1: phi = 1.02683968852 TCL: Center of mass = 24.9904428729 -1.73788770974 1.12631785666 TCL: atom 1: phi = 1.02689433364 TCL: Center of mass = 24.991430472 -1.73838486084 1.12675994749 TCL: atom 1: phi = 1.02695254332 TCL: Center of mass = 24.9924377276 -1.73888236698 1.1272263041 TCL: atom 1: phi = 1.02696139977 TCL: Center of mass = 24.9934715538 -1.73939942388 1.12771922538 TCL: atom 1: phi = 1.02701792004 TCL: Center of mass = 24.9944924047 -1.73994265748 1.12823850269 TCL: atom 1: phi = 1.02698293418 TCL: Center of mass = 24.9955283013 -1.74049288819 1.128775825 TCL: atom 1: phi = 1.02698487415 TCL: Center of mass = 24.9965532365 -1.74104165056 1.12931637599 TCL: atom 1: phi = 1.02684834563 TCL: Center of mass = 24.9975864691 -1.7415863921 1.12988286971 TCL: atom 1: phi = 1.02668637288 TCL: Center of mass = 24.9985850194 -1.74212671602 1.13043544707 TCL: atom 1: phi = 1.02634101731 TCL: Center of mass = 24.9995732437 -1.74266834826 1.13095662854 TCL: atom 1: phi = 1.02596460772 TCL: Center of mass = 25.0005781834 -1.74320762838 1.13142550259 TCL: atom 1: phi = 1.02551123658 TCL: Center of mass = 25.001614671 -1.74376503662 1.13187508655 TCL: atom 1: phi = 1.02508650987 TCL: Center of mass = 25.0026561238 -1.74437165626 1.13227539836 TCL: atom 1: phi = 1.02459249758 TCL: Center of mass = 25.0037250543 -1.74503433116 1.13269167898 TCL: atom 1: phi = 1.02426380799 TCL: Center of mass = 25.0048107516 -1.74577335296 1.13309258257 TCL: atom 1: phi = 1.02408019418 TCL: Center of mass = 25.0059040206 -1.74657145915 1.13348771678 TCL: atom 1: phi = 1.02422452878 TCL: Center of mass = 25.006981672 -1.74740132188 1.13384455167 TCL: atom 1: phi = 1.02451284787 TCL: Center of mass = 25.0080477529 -1.74823306815 1.13418608415 TCL: atom 1: phi = 1.02505080108 TCL: Center of mass = 25.0090817113 -1.74907738717 1.1344836292 TCL: atom 1: phi = 1.0257101287 TCL: Center of mass = 25.0101019057 -1.74993700003 1.13477360827 TCL: atom 1: phi = 1.02649731021 TCL: Center of mass = 25.0111081639 -1.75082283474 1.13502565193 TCL: atom 1: phi = 1.02724416406 TCL: Center of mass = 25.0121345733 -1.75173926229 1.13528380356 TCL: atom 1: phi = 1.02810489264 TCL: Center of mass = 25.0131702172 -1.75268599685 1.13551844649 TCL: atom 1: phi = 1.02891629612 TCL: Center of mass = 25.0142497843 -1.75366394933 1.13579631438 TCL: atom 1: phi = 1.02990361227 TCL: Center of mass = 25.0153676473 -1.75463635624 1.13609701676 TCL: atom 1: phi = 1.030856992 TCL: Center of mass = 25.0165164346 -1.75561330996 1.13642356283 TCL: atom 1: phi = 1.03191921484 TCL: Center of mass = 25.0176762837 -1.75655211974 1.13677416994 TCL: atom 1: phi = 1.03283715067 TCL: Center of mass = 25.0188599726 -1.75743708019 1.13714217516 TCL: atom 1: phi = 1.03378822707 TCL: Center of mass = 25.0200238028 -1.75827182372 1.1374771964 TCL: atom 1: phi = 1.03443899907 TCL: Center of mass = 25.0211762869 -1.75907666016 1.13779819606 TCL: atom 1: phi = 1.0349224065 TCL: Center of mass = 25.0223156615 -1.75987031829 1.13807934225 TCL: atom 1: phi = 1.0350787175 TCL: Center of mass = 25.0234572023 -1.76064911095 1.13835479007 TCL: atom 1: phi = 1.03515681767 TCL: Center of mass = 25.0245859995 -1.76142439785 1.13864424437 TCL: atom 1: phi = 1.0349936914 TCL: Center of mass = 25.025741683 -1.76221459371 1.13895911137 TCL: atom 1: phi = 1.03484283852 TCL: Center of mass = 25.0269138954 -1.76299817345 1.13929580197 TCL: atom 1: phi = 1.03462950949 TCL: Center of mass = 25.0281116069 -1.76378735545 1.13965614211 TCL: atom 1: phi = 1.03456797154 TCL: Center of mass = 25.0293063814 -1.76452382796 1.14001087654 TCL: atom 1: phi = 1.03447679828 TCL: Center of mass = 25.0304957649 -1.76522724409 1.14037731248 TCL: atom 1: phi = 1.0344767439 TCL: Center of mass = 25.0316494105 -1.76589737646 1.14070212407 TCL: atom 1: phi = 1.03433435069 TCL: Center of mass = 25.0327672043 -1.76654137076 1.14100783508 TCL: atom 1: phi = 1.03417262796 TCL: Center of mass = 25.0338340998 -1.76718527005 1.14129434918 TCL: atom 1: phi = 1.03379042322 TCL: Center of mass = 25.0348734601 -1.7678655418 1.1415688171 TCL: atom 1: phi = 1.03342831681 TCL: Center of mass = 25.0358475657 -1.76858655765 1.14184313222 TCL: atom 1: phi = 1.03294767496 TCL: Center of mass = 25.0368314775 -1.76936724663 1.14215519912 TCL: atom 1: phi = 1.03254770855 TCL: Center of mass = 25.0377883208 -1.77018210528 1.14248904909 TCL: atom 1: phi = 1.03211747775 TCL: Center of mass = 25.038770805 -1.77100140406 1.14284423335 TCL: atom 1: phi = 1.03183110714 TCL: Center of mass = 25.0397703601 -1.77182831329 1.14322178802 TCL: atom 1: phi = 1.03142585785 TCL: Center of mass = 25.040796746 -1.77264370561 1.14360151678 TCL: atom 1: phi = 1.03110716298 TCL: Center of mass = 25.0418209268 -1.77342790924 1.1439593158 TCL: atom 1: phi = 1.03065629392 TCL: Center of mass = 25.0428610004 -1.77420435616 1.14429220178 TCL: atom 1: phi = 1.03013405133 TCL: Center of mass = 25.0438681705 -1.7749602169 1.14458131584 TCL: atom 1: phi = 1.0294289115 TCL: Center of mass = 25.0448800084 -1.77573414383 1.14485046288 TCL: atom 1: phi = 1.02880557017 TCL: Center of mass = 25.0458500422 -1.77651499303 1.14510841124 TCL: atom 1: phi = 1.02815912407 TCL: Center of mass = 25.0468510618 -1.77732719231 1.14537421663 TCL: atom 1: phi = 1.02765820473 TCL: Center of mass = 25.0478289893 -1.77814461591 1.14560235451 TCL: atom 1: phi = 1.02722198059 TCL: Center of mass = 25.0488277798 -1.77896502666 1.14581333225 TCL: atom 1: phi = 1.02696731405 TCL: Center of mass = 25.0498097332 -1.77974554094 1.14599248877 TCL: atom 1: phi = 1.02674596728 TCL: Center of mass = 25.0507996958 -1.78050747402 1.1461313203 TCL: atom 1: phi = 1.02662131127 TCL: Center of mass = 25.0517676378 -1.78121866688 1.1462127828 TCL: atom 1: phi = 1.02640794875 TCL: Center of mass = 25.0527350456 -1.78191045645 1.14624231134 TCL: atom 1: phi = 1.0261929493 TCL: Center of mass = 25.0536511782 -1.78256814668 1.14621288475 TCL: atom 1: phi = 1.02585990777 TCL: Center of mass = 25.0545565391 -1.78321832378 1.14616248684 TCL: atom 1: phi = 1.02562270579 TCL: Center of mass = 25.0553928913 -1.783859077 1.14607474235 TCL: atom 1: phi = 1.02541506898 TCL: Center of mass = 25.0562058776 -1.78451257373 1.1460147296 TCL: atom 1: phi = 1.02534800418 TCL: Center of mass = 25.0569698429 -1.78515758595 1.14595859087 TCL: atom 1: phi = 1.02531702263 TCL: Center of mass = 25.0577197888 -1.78578820171 1.14594523581 TCL: atom 1: phi = 1.02538389276 TCL: Center of mass = 25.0584396681 -1.78640295039 1.14592858334 TCL: atom 1: phi = 1.02539858604 TCL: Center of mass = 25.0591680953 -1.78700168779 1.14589900392 TCL: atom 1: phi = 1.02541016433 TCL: Center of mass = 25.0598778554 -1.7875643636 1.14584019385 TCL: atom 1: phi = 1.02525710472 TCL: Center of mass = 25.0605811342 -1.78811047634 1.1457902642 TCL: atom 1: phi = 1.02507140789 TCL: Center of mass = 25.0612777785 -1.7886271575 1.1457101468 TCL: atom 1: phi = 1.02474954098 TCL: Center of mass = 25.0619915105 -1.78914774699 1.14563110913 TCL: atom 1: phi = 1.02441264489 TCL: Center of mass = 25.0626817659 -1.78966806939 1.14556854472 TCL: atom 1: phi = 1.0239885749 TCL: Center of mass = 25.0633894347 -1.79020840652 1.14551789565 TCL: atom 1: phi = 1.02367977634 TCL: Center of mass = 25.0640781237 -1.79074777978 1.145488425 TCL: atom 1: phi = 1.02346553521 TCL: Center of mass = 25.0647539701 -1.79128323875 1.14547805796 TCL: atom 1: phi = 1.02340213259 TCL: Center of mass = 25.0654000182 -1.79179003277 1.14546068681 TCL: atom 1: phi = 1.0234269224 TCL: Center of mass = 25.0660650451 -1.79225890876 1.14542819895 TCL: atom 1: phi = 1.02349108963 TCL: Center of mass = 25.0667145356 -1.79267535794 1.14536063922 TCL: atom 1: phi = 1.02345129501 TCL: Center of mass = 25.0673816223 -1.7930745591 1.14526199323 TCL: atom 1: phi = 1.02331768178 TCL: Center of mass = 25.0680388945 -1.79341512898 1.14512302586 TCL: atom 1: phi = 1.02295332695 TCL: Center of mass = 25.0686989219 -1.79375945346 1.14495918368 TCL: atom 1: phi = 1.02246834226 TCL: Center of mass = 25.0693415811 -1.79409358524 1.14474130585 TCL: atom 1: phi = 1.02179264249 TCL: Center of mass = 25.069998109 -1.79443624399 1.14450189012 TCL: atom 1: phi = 1.02104874617 TCL: Center of mass = 25.0706023215 -1.79480327901 1.14421887089 TCL: atom 1: phi = 1.02017140697 WRITING COORDINATES TO DCD FILE AT STEP 18000 WRITING COORDINATES TO RESTART FILE AT STEP 18000 FINISHED WRITING RESTART COORDINATES TIMING: 18000 CPU: 964.821, 0.0541118/step Wall: 1151.26, 0.0645295/step, 0.0358497 hours remaining, 13612 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 18000 3433.1310 2416.4347 371.1327 38.5102 -44604.5480 4057.2671 0.0000 0.0000 9921.1830 -24366.8892 294.1042 -24218.9740 -24226.0784 295.2069 2512.7530 -150.9578 125000.0000 -310.9879 -310.0342 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18000 WRITING VELOCITIES TO RESTART FILE AT STEP 18000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 25.071208332 -1.79518913381 1.14393107019 TCL: atom 1: phi = 1.01928537675 TCL: Center of mass = 25.0718033181 -1.79553720783 1.1436371747 TCL: atom 1: phi = 1.01831228203 TCL: Center of mass = 25.072412994 -1.79588169238 1.14334048844 TCL: atom 1: phi = 1.01736449533 TCL: Center of mass = 25.0729972794 -1.79619411367 1.14303879766 TCL: atom 1: phi = 1.01630163655 TCL: Center of mass = 25.0735776325 -1.79648674802 1.14274944547 TCL: atom 1: phi = 1.01523383027 TCL: Center of mass = 25.074151356 -1.79678125577 1.14248084326 TCL: atom 1: phi = 1.01406609339 TCL: Center of mass = 25.0747346456 -1.797104172 1.14224886295 TCL: atom 1: phi = 1.01290059885 TCL: Center of mass = 25.0753119337 -1.79745731675 1.1420467442 TCL: atom 1: phi = 1.01171768461 TCL: Center of mass = 25.0758912529 -1.79782987296 1.1419161709 TCL: atom 1: phi = 1.01070124603 TCL: Center of mass = 25.0764489372 -1.7982429257 1.14182659394 TCL: atom 1: phi = 1.00983464444 TCL: Center of mass = 25.0770009039 -1.79865253277 1.14177923125 TCL: atom 1: phi = 1.00925486163 TCL: Center of mass = 25.0775212841 -1.79906902031 1.14174730969 TCL: atom 1: phi = 1.00890394783 TCL: Center of mass = 25.0780514111 -1.79950487531 1.14172920987 TCL: atom 1: phi = 1.00883231231 TCL: Center of mass = 25.0785390958 -1.79994010926 1.14170174119 TCL: atom 1: phi = 1.0088808453 TCL: Center of mass = 25.0790058259 -1.80039009894 1.14168736843 TCL: atom 1: phi = 1.00901037327 TCL: Center of mass = 25.0794633176 -1.80084691703 1.14166102085 TCL: atom 1: phi = 1.00906914454 TCL: Center of mass = 25.0799138181 -1.80132993804 1.14163253259 TCL: atom 1: phi = 1.00909655902 TCL: Center of mass = 25.0803523678 -1.80183442034 1.14157164924 TCL: atom 1: phi = 1.00903708907 TCL: Center of mass = 25.0807984023 -1.80234489656 1.14149675327 TCL: atom 1: phi = 1.00900095528 TCL: Center of mass = 25.0812265993 -1.80286598825 1.14138191452 TCL: atom 1: phi = 1.00893125972 TCL: Center of mass = 25.0816575613 -1.80336197523 1.14124290132 TCL: atom 1: phi = 1.0089260676 TCL: Center of mass = 25.0820782967 -1.80383232431 1.14105096494 TCL: atom 1: phi = 1.00891493084 TCL: Center of mass = 25.08250049 -1.804269811 1.14079487017 TCL: atom 1: phi = 1.008819745 TCL: Center of mass = 25.0829082326 -1.80467059463 1.14047837365 TCL: atom 1: phi = 1.00857321408 TCL: Center of mass = 25.0833419996 -1.80507560942 1.14012433364 TCL: atom 1: phi = 1.00821857382 TCL: Center of mass = 25.0837911512 -1.80549605601 1.13974454026 TCL: atom 1: phi = 1.00759090519 TCL: Center of mass = 25.0842700086 -1.80591875692 1.13936258999 TCL: atom 1: phi = 1.00685743288 TCL: Center of mass = 25.0847859796 -1.80636822497 1.1389803382 TCL: atom 1: phi = 1.00588028416 TCL: Center of mass = 25.0853631066 -1.80682586602 1.1386487673 TCL: atom 1: phi = 1.00485887956 TCL: Center of mass = 25.0859991497 -1.80726878223 1.13834982397 TCL: atom 1: phi = 1.00380796628 TCL: Center of mass = 25.0866766614 -1.80766436502 1.13807454478 TCL: atom 1: phi = 1.00294697804 TCL: Center of mass = 25.0873867498 -1.8080158428 1.13782009857 TCL: atom 1: phi = 1.00218942922 TCL: Center of mass = 25.0881227323 -1.80835867343 1.13757803926 TCL: atom 1: phi = 1.00171489579 TCL: Center of mass = 25.0888682515 -1.8086817078 1.1373350746 TCL: atom 1: phi = 1.00126861102 TCL: Center of mass = 25.0896347701 -1.80900311318 1.1371234794 TCL: atom 1: phi = 1.00095692722 TCL: Center of mass = 25.0904212933 -1.80932401879 1.13696054698 TCL: atom 1: phi = 1.00064749062 TCL: Center of mass = 25.0912429915 -1.80966116787 1.13685839799 TCL: atom 1: phi = 1.00048812362 TCL: Center of mass = 25.0920905094 -1.81002080017 1.13681881481 TCL: atom 1: phi = 1.00034475529 TCL: Center of mass = 25.092985403 -1.81036974081 1.13683231149 TCL: atom 1: phi = 1.0003883193 TCL: Center of mass = 25.0939062827 -1.81071519715 1.13689867171 TCL: atom 1: phi = 1.00049852229 TCL: Center of mass = 25.0948443412 -1.81104243743 1.1369920101 TCL: atom 1: phi = 1.0009015804 TCL: Center of mass = 25.0958021621 -1.81131679084 1.13709075593 TCL: atom 1: phi = 1.00143172861 TCL: Center of mass = 25.0967577889 -1.81156798992 1.13716867462 TCL: atom 1: phi = 1.00223515633 TCL: Center of mass = 25.097712569 -1.81180853861 1.1372017659 TCL: atom 1: phi = 1.00312200815 TCL: Center of mass = 25.0986560163 -1.81205155061 1.137220678 TCL: atom 1: phi = 1.00421171696 TCL: Center of mass = 25.0996148114 -1.81230450381 1.13723076556 TCL: atom 1: phi = 1.0052318374 TCL: Center of mass = 25.100585124 -1.8125836245 1.1372230546 TCL: atom 1: phi = 1.00632083992 TCL: Center of mass = 25.1015733174 -1.81288077998 1.13721575668 TCL: atom 1: phi = 1.00723600595 TCL: Center of mass = 25.1025762044 -1.81320952686 1.13721427437 TCL: atom 1: phi = 1.00821869528 TCL: Center of mass = 25.1035998236 -1.81352383848 1.13723234191 TCL: atom 1: phi = 1.0091674601 TCL: Center of mass = 25.1046388928 -1.81381671059 1.13726242272 TCL: atom 1: phi = 1.01028888876 TCL: Center of mass = 25.1057016083 -1.81408942967 1.13730748326 TCL: atom 1: phi = 1.01145579412 TCL: Center of mass = 25.1068172545 -1.81434922017 1.13735425088 TCL: atom 1: phi = 1.01284752319 TCL: Center of mass = 25.1079450285 -1.81461027989 1.13737915437 TCL: atom 1: phi = 1.01422705163 TCL: Center of mass = 25.1090878628 -1.81490119827 1.13739747096 TCL: atom 1: phi = 1.0157734381 TCL: Center of mass = 25.1102633491 -1.81520950702 1.13741508808 TCL: atom 1: phi = 1.01721683631 TCL: Center of mass = 25.11144964 -1.81554905282 1.13744584036 TCL: atom 1: phi = 1.01870340811 TCL: Center of mass = 25.1126485666 -1.81592427092 1.13747146836 TCL: atom 1: phi = 1.01993318851 TCL: Center of mass = 25.1138703077 -1.81631451487 1.13751550078 TCL: atom 1: phi = 1.02111624397 TCL: Center of mass = 25.1150852378 -1.81669970648 1.13757980531 TCL: atom 1: phi = 1.0220115431 TCL: Center of mass = 25.1163227085 -1.8170773506 1.13766419215 TCL: atom 1: phi = 1.02296609784 TCL: Center of mass = 25.1175888591 -1.81744570836 1.1377521763 TCL: atom 1: phi = 1.02368383583 TCL: Center of mass = 25.1188920643 -1.81781071507 1.13784001997 TCL: atom 1: phi = 1.02446627788 TCL: Center of mass = 25.1202189805 -1.81818090439 1.13788716811 TCL: atom 1: phi = 1.02501883085 TCL: Center of mass = 25.1215688061 -1.81857823246 1.13791692842 TCL: atom 1: phi = 1.02560909521 TCL: Center of mass = 25.122961073 -1.8190103424 1.13790058624 TCL: atom 1: phi = 1.02588290407 TCL: Center of mass = 25.1243768157 -1.8194921012 1.13786472876 TCL: atom 1: phi = 1.02614884817 TCL: Center of mass = 25.1257834378 -1.81999906134 1.13778509529 TCL: atom 1: phi = 1.02602326145 TCL: Center of mass = 25.1271914729 -1.82051761835 1.13768760906 TCL: atom 1: phi = 1.02586262375 TCL: Center of mass = 25.1285534806 -1.82101937079 1.13757767877 TCL: atom 1: phi = 1.02532979529 TCL: Center of mass = 25.1299190979 -1.82151074549 1.13747866224 TCL: atom 1: phi = 1.02481138675 TCL: Center of mass = 25.1312910974 -1.82196816618 1.13736893412 TCL: atom 1: phi = 1.02415169103 TCL: Center of mass = 25.1326881027 -1.82240647377 1.13727158254 TCL: atom 1: phi = 1.02370446215 TCL: Center of mass = 25.1340798866 -1.82283995106 1.13716102594 TCL: atom 1: phi = 1.02311297459 TCL: Center of mass = 25.1355060753 -1.82326278786 1.13704304475 TCL: atom 1: phi = 1.02269966436 TCL: Center of mass = 25.1369551032 -1.82369969289 1.13693330003 TCL: atom 1: phi = 1.02210681545 TCL: Center of mass = 25.1384339305 -1.82415600305 1.1368226806 TCL: atom 1: phi = 1.02164863726 TCL: Center of mass = 25.1399071523 -1.82462613951 1.13671747925 TCL: atom 1: phi = 1.0209621972 TCL: Center of mass = 25.1413773463 -1.82508835487 1.13663520052 TCL: atom 1: phi = 1.02038424176 TCL: Center of mass = 25.1428155807 -1.82549896769 1.13654189955 TCL: atom 1: phi = 1.01959315567 TCL: Center of mass = 25.1442541285 -1.82588132107 1.13645720727 TCL: atom 1: phi = 1.01903385743 TCL: Center of mass = 25.1456886514 -1.8262005283 1.13636082815 TCL: atom 1: phi = 1.01845631053 TCL: Center of mass = 25.1471332643 -1.82647346391 1.13627131683 TCL: atom 1: phi = 1.0181990734 TCL: Center of mass = 25.1485766326 -1.82674274352 1.13618650734 TCL: atom 1: phi = 1.01795648856 TCL: Center of mass = 25.1500654555 -1.82699471006 1.13611989384 TCL: atom 1: phi = 1.01796032143 TCL: Center of mass = 25.151570551 -1.82725305298 1.13606914877 TCL: atom 1: phi = 1.01789945811 TCL: Center of mass = 25.1531019921 -1.82754731773 1.13602106759 TCL: atom 1: phi = 1.01800362208 TCL: Center of mass = 25.1546359793 -1.82785002872 1.13597714183 TCL: atom 1: phi = 1.01786355511 TCL: Center of mass = 25.1561874087 -1.82819027135 1.13593564569 TCL: atom 1: phi = 1.01785896731 TCL: Center of mass = 25.1577098952 -1.82852697288 1.13587260026 TCL: atom 1: phi = 1.01766007808 TCL: Center of mass = 25.1592184927 -1.82884123684 1.13578827949 TCL: atom 1: phi = 1.01761837598 TCL: Center of mass = 25.1606896295 -1.82914006205 1.1356755176 TCL: atom 1: phi = 1.0174644019 TCL: Center of mass = 25.162165628 -1.82943653327 1.1355522285 TCL: atom 1: phi = 1.01756766261 TCL: Center of mass = 25.1635912478 -1.82973211767 1.1354256113 TCL: atom 1: phi = 1.01756311947 TCL: Center of mass = 25.1650345088 -1.83006289232 1.13528033129 TCL: atom 1: phi = 1.01781766326 TCL: Center of mass = 25.1664966598 -1.83041381826 1.13515971196 TCL: atom 1: phi = 1.01785844434 TCL: Center of mass = 25.1679992904 -1.83082411412 1.13506411178 TCL: atom 1: phi = 1.01808170817 TCL: Center of mass = 25.1694968825 -1.83127439901 1.13497416209 TCL: atom 1: phi = 1.01798223463 TCL: Center of mass = 25.1710138239 -1.83173825469 1.13488738032 TCL: atom 1: phi = 1.01800186119 TCL: Center of mass = 25.1724957404 -1.8321908554 1.13481908103 TCL: atom 1: phi = 1.01773530654 WRITING COORDINATES TO DCD FILE AT STEP 18100 WRITING COORDINATES TO RESTART FILE AT STEP 18100 FINISHED WRITING RESTART COORDINATES TIMING: 18100 CPU: 970.242, 0.0542018/step Wall: 1157.91, 0.0665254/step, 0.0351106 hours remaining, 13612 kB of memory in use. ENERGY: 18100 3437.2804 2547.5787 363.8095 33.3716 -44877.5518 4170.4561 0.0000 0.0000 9890.4469 -24434.6086 293.1931 -24287.3487 -24291.0136 292.9318 2207.4508 -267.7678 125000.0000 -147.6726 -139.8508 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18100 WRITING VELOCITIES TO RESTART FILE AT STEP 18100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 25.1739492002 -1.83262077542 1.13475861568 TCL: atom 1: phi = 1.01764114436 TCL: Center of mass = 25.1753564459 -1.83299783355 1.13467171892 TCL: atom 1: phi = 1.01741007101 TCL: Center of mass = 25.1767720703 -1.833340969 1.13458017336 TCL: atom 1: phi = 1.01745424485 TCL: Center of mass = 25.1781756685 -1.83363463686 1.13446822422 TCL: atom 1: phi = 1.01740706954 TCL: Center of mass = 25.1795953669 -1.83392347489 1.13438004955 TCL: atom 1: phi = 1.01763168748 TCL: Center of mass = 25.1810219759 -1.83419714064 1.13431577623 TCL: atom 1: phi = 1.01764370723 TCL: Center of mass = 25.182494764 -1.83446686892 1.13427552622 TCL: atom 1: phi = 1.01773664118 TCL: Center of mass = 25.1839892195 -1.83470086689 1.13426636572 TCL: atom 1: phi = 1.01742818662 TCL: Center of mass = 25.1855069425 -1.83490885275 1.13426995426 TCL: atom 1: phi = 1.01713806124 TCL: Center of mass = 25.1870265678 -1.83507983433 1.13429424273 TCL: atom 1: phi = 1.01659104201 TCL: Center of mass = 25.1885477871 -1.83521077825 1.13431552529 TCL: atom 1: phi = 1.01622158799 TCL: Center of mass = 25.1900080171 -1.83527256463 1.1343189344 TCL: atom 1: phi = 1.01582018905 TCL: Center of mass = 25.1914250441 -1.83528476291 1.13430878947 TCL: atom 1: phi = 1.01581443356 TCL: Center of mass = 25.1927832452 -1.83525210679 1.13426290048 TCL: atom 1: phi = 1.01586784437 TCL: Center of mass = 25.1941071215 -1.83518286867 1.13420651409 TCL: atom 1: phi = 1.01619042468 TCL: Center of mass = 25.1953896171 -1.83510966867 1.13415992181 TCL: atom 1: phi = 1.01649977047 TCL: Center of mass = 25.1966492193 -1.835047649 1.13414622063 TCL: atom 1: phi = 1.01707047736 TCL: Center of mass = 25.1978917005 -1.834988419 1.13412768701 TCL: atom 1: phi = 1.01755837266 TCL: Center of mass = 25.1991432571 -1.83492134955 1.13413186872 TCL: atom 1: phi = 1.01823651766 TCL: Center of mass = 25.2003710003 -1.8348548141 1.13413686723 TCL: atom 1: phi = 1.01881418983 TCL: Center of mass = 25.2016036788 -1.83478616638 1.13413068845 TCL: atom 1: phi = 1.01967193538 TCL: Center of mass = 25.2028247234 -1.8346806433 1.13408870563 TCL: atom 1: phi = 1.0204905142 TCL: Center of mass = 25.2040250225 -1.83456231986 1.13401590679 TCL: atom 1: phi = 1.021579788 TCL: Center of mass = 25.2052149643 -1.83443425026 1.13388621403 TCL: atom 1: phi = 1.0225284121 TCL: Center of mass = 25.2064116215 -1.83431725064 1.13374557289 TCL: atom 1: phi = 1.02366462782 TCL: Center of mass = 25.2075998986 -1.83419582506 1.13358239973 TCL: atom 1: phi = 1.02448648409 TCL: Center of mass = 25.208810507 -1.83408243016 1.1334320108 TCL: atom 1: phi = 1.02530742301 TCL: Center of mass = 25.2100320747 -1.83399215168 1.13327731039 TCL: atom 1: phi = 1.02571689931 TCL: Center of mass = 25.2112733351 -1.83390822617 1.13313804406 TCL: atom 1: phi = 1.02606945104 TCL: Center of mass = 25.2125210032 -1.83381064561 1.13299937237 TCL: atom 1: phi = 1.02601525872 TCL: Center of mass = 25.2137904975 -1.83366974928 1.13287846146 TCL: atom 1: phi = 1.02602446043 TCL: Center of mass = 25.2150510043 -1.83350503404 1.13275350808 TCL: atom 1: phi = 1.02578158839 TCL: Center of mass = 25.2163191612 -1.83331255918 1.13263156653 TCL: atom 1: phi = 1.02569227424 TCL: Center of mass = 25.2175630285 -1.83311625213 1.13248651933 TCL: atom 1: phi = 1.02543260389 TCL: Center of mass = 25.2188068935 -1.83290119379 1.13232212276 TCL: atom 1: phi = 1.02535472023 TCL: Center of mass = 25.2200373407 -1.83269344787 1.13214288907 TCL: atom 1: phi = 1.02505635706 TCL: Center of mass = 25.2212530548 -1.8324864251 1.13195324552 TCL: atom 1: phi = 1.02482895111 TCL: Center of mass = 25.2224333478 -1.83230030684 1.13176734762 TCL: atom 1: phi = 1.02434286095 TCL: Center of mass = 25.2236128812 -1.83212494165 1.13159813169 TCL: atom 1: phi = 1.02399060721 TCL: Center of mass = 25.2247871037 -1.83195181766 1.13144012929 TCL: atom 1: phi = 1.02350394134 TCL: Center of mass = 25.2259708957 -1.83178606419 1.13130152756 TCL: atom 1: phi = 1.02327077745 TCL: Center of mass = 25.2271638843 -1.83163416751 1.13115929795 TCL: atom 1: phi = 1.0229680353 TCL: Center of mass = 25.228385428 -1.83150537096 1.13102887801 TCL: atom 1: phi = 1.02295266659 TCL: Center of mass = 25.2296083412 -1.83142179493 1.13090237114 TCL: atom 1: phi = 1.02284358949 TCL: Center of mass = 25.2308408238 -1.83136410671 1.13077344767 TCL: atom 1: phi = 1.02281893564 TCL: Center of mass = 25.2320733063 -1.83135731822 1.13061647459 TCL: atom 1: phi = 1.02246574289 TCL: Center of mass = 25.2333040407 -1.83140172095 1.13049283361 TCL: atom 1: phi = 1.02206717105 TCL: Center of mass = 25.2345295557 -1.83150609052 1.13037805668 TCL: atom 1: phi = 1.0212735766 TCL: Center of mass = 25.2357481525 -1.83163540115 1.13026829516 TCL: atom 1: phi = 1.02039077842 TCL: Center of mass = 25.2369736932 -1.83178378786 1.13016044835 TCL: atom 1: phi = 1.01919708853 TCL: Center of mass = 25.2382149502 -1.83192917671 1.13007334495 TCL: atom 1: phi = 1.01806258747 TCL: Center of mass = 25.239474484 -1.83208858476 1.13000269147 TCL: atom 1: phi = 1.01671970207 TCL: Center of mass = 25.2407596342 -1.83226386945 1.12996799229 TCL: atom 1: phi = 1.01559396904 TCL: Center of mass = 25.2420637463 -1.83247196121 1.12994761149 TCL: atom 1: phi = 1.01440802009 TCL: Center of mass = 25.2434238994 -1.83269254128 1.12992364125 TCL: atom 1: phi = 1.01341834747 TCL: Center of mass = 25.2447868679 -1.8329293708 1.12989596287 TCL: atom 1: phi = 1.0123233229 TCL: Center of mass = 25.2461767949 -1.83316152418 1.12987094149 TCL: atom 1: phi = 1.01140749651 TCL: Center of mass = 25.2475704831 -1.83338336727 1.12985332602 TCL: atom 1: phi = 1.01046395225 TCL: Center of mass = 25.2489710369 -1.83357213676 1.12981248336 TCL: atom 1: phi = 1.00969222907 TCL: Center of mass = 25.2503868007 -1.83372778724 1.12975468798 TCL: atom 1: phi = 1.00897493382 TCL: Center of mass = 25.2518339627 -1.8338550744 1.12968811114 TCL: atom 1: phi = 1.00855063767 TCL: Center of mass = 25.2532974921 -1.83397243002 1.12961664069 TCL: atom 1: phi = 1.0083210857 TCL: Center of mass = 25.2547982757 -1.83407455275 1.12955430393 TCL: atom 1: phi = 1.00850100422 TCL: Center of mass = 25.2563266568 -1.83418361886 1.12948856317 TCL: atom 1: phi = 1.00886336564 TCL: Center of mass = 25.257907031 -1.83430848731 1.12943748693 TCL: atom 1: phi = 1.0095941721 TCL: Center of mass = 25.2595065764 -1.83448058201 1.12940019651 TCL: atom 1: phi = 1.01036815501 TCL: Center of mass = 25.261128844 -1.83468650425 1.12939577036 TCL: atom 1: phi = 1.01126996534 TCL: Center of mass = 25.2627297881 -1.8349105532 1.12940389965 TCL: atom 1: phi = 1.01214770883 TCL: Center of mass = 25.2643204295 -1.83514763659 1.12941480409 TCL: atom 1: phi = 1.01311608969 TCL: Center of mass = 25.2658900994 -1.83538527582 1.12943657963 TCL: atom 1: phi = 1.01398582503 TCL: Center of mass = 25.2674511675 -1.83561813956 1.12948544751 TCL: atom 1: phi = 1.01504229377 TCL: Center of mass = 25.2689789228 -1.83586580711 1.12954463763 TCL: atom 1: phi = 1.0160513365 TCL: Center of mass = 25.2705068836 -1.83612566774 1.12962856515 TCL: atom 1: phi = 1.01729619056 TCL: Center of mass = 25.2720359364 -1.83642425804 1.12974771299 TCL: atom 1: phi = 1.01848574815 TCL: Center of mass = 25.2735963714 -1.83673694471 1.1298999858 TCL: atom 1: phi = 1.01977965278 TCL: Center of mass = 25.275169298 -1.83707936263 1.13005842541 TCL: atom 1: phi = 1.02091736891 TCL: Center of mass = 25.276758179 -1.83744219948 1.13024493113 TCL: atom 1: phi = 1.02204705847 TCL: Center of mass = 25.2783513189 -1.8378241264 1.1304319696 TCL: atom 1: phi = 1.02292794078 TCL: Center of mass = 25.2799457448 -1.83820458911 1.13063138355 TCL: atom 1: phi = 1.02377668142 TCL: Center of mass = 25.2814914072 -1.83856691464 1.13083220172 TCL: atom 1: phi = 1.02436882768 TCL: Center of mass = 25.2830116666 -1.83892574584 1.13101018982 TCL: atom 1: phi = 1.02511440241 TCL: Center of mass = 25.2844963338 -1.83930034681 1.13117564945 TCL: atom 1: phi = 1.02582135606 TCL: Center of mass = 25.2859858714 -1.83967727281 1.1313418675 TCL: atom 1: phi = 1.02675391447 TCL: Center of mass = 25.2874463644 -1.84006231033 1.13150423963 TCL: atom 1: phi = 1.0276236728 TCL: Center of mass = 25.288938778 -1.84046340945 1.13169740531 TCL: atom 1: phi = 1.02866414354 TCL: Center of mass = 25.29045892 -1.84089282722 1.13190889154 TCL: atom 1: phi = 1.0295715368 TCL: Center of mass = 25.2920098106 -1.84134662905 1.13211783483 TCL: atom 1: phi = 1.03043765708 TCL: Center of mass = 25.2935638474 -1.84184877711 1.13231668742 TCL: atom 1: phi = 1.03098772212 TCL: Center of mass = 25.2951297427 -1.84235701336 1.1324978909 TCL: atom 1: phi = 1.0314977294 TCL: Center of mass = 25.2966836095 -1.84288314072 1.13264297993 TCL: atom 1: phi = 1.03176586977 TCL: Center of mass = 25.2982392533 -1.84342038112 1.13277132507 TCL: atom 1: phi = 1.03208053627 TCL: Center of mass = 25.2997792911 -1.84396106873 1.132862575 TCL: atom 1: phi = 1.03225126091 TCL: Center of mass = 25.3013148951 -1.84455834372 1.13293223475 TCL: atom 1: phi = 1.03263975614 TCL: Center of mass = 25.3028545615 -1.84518543918 1.13297442097 TCL: atom 1: phi = 1.03296745055 TCL: Center of mass = 25.3044324944 -1.84584554691 1.13302237003 TCL: atom 1: phi = 1.03336379946 TCL: Center of mass = 25.3060401297 -1.84656046246 1.13307042715 TCL: atom 1: phi = 1.03360353679 TCL: Center of mass = 25.3077162817 -1.84730714176 1.13312741353 TCL: atom 1: phi = 1.03378138316 TCL: Center of mass = 25.3094655984 -1.84807752641 1.13318765402 TCL: atom 1: phi = 1.03366830337 TCL: Center of mass = 25.3112750521 -1.84885138072 1.13325373285 TCL: atom 1: phi = 1.03346872335 TCL: Center of mass = 25.3131135495 -1.8496086158 1.13332218331 TCL: atom 1: phi = 1.03304552831 WRITING COORDINATES TO DCD FILE AT STEP 18200 WRITING COORDINATES TO RESTART FILE AT STEP 18200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18200 FINISHED WRITING RESTART VELOCITIES TIMING: 18200 CPU: 975.653, 0.0541118/step Wall: 1164.41, 0.0649995/step, 0.0324998 hours remaining, 13612 kB of memory in use. ENERGY: 18200 3468.7281 2506.3532 384.5319 42.7390 -44851.3530 4156.5707 0.0000 0.0000 9858.7425 -24433.6875 292.2532 -24288.0087 -24285.7807 292.2846 1979.4844 -353.5113 125000.0000 -253.5057 -254.7942 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18200 TCL: Center of mass = 25.3149887007 -1.85036382785 1.13339505964 TCL: atom 1: phi = 1.03280088261 TCL: Center of mass = 25.3168501426 -1.85111344075 1.13343949573 TCL: atom 1: phi = 1.03262878456 TCL: Center of mass = 25.3187138632 -1.85185680358 1.1334932633 TCL: atom 1: phi = 1.03282045428 TCL: Center of mass = 25.3205566019 -1.85259047837 1.13355117654 TCL: atom 1: phi = 1.03311570639 TCL: Center of mass = 25.3224090768 -1.85332097536 1.13361947306 TCL: atom 1: phi = 1.03375116357 TCL: Center of mass = 25.3242535061 -1.85402820617 1.13368451341 TCL: atom 1: phi = 1.03428892824 TCL: Center of mass = 25.3261318673 -1.8547109438 1.13376632127 TCL: atom 1: phi = 1.03492888875 TCL: Center of mass = 25.3280030716 -1.85538488832 1.13386104598 TCL: atom 1: phi = 1.0353231229 TCL: Center of mass = 25.3298956652 -1.85605990687 1.13399862912 TCL: atom 1: phi = 1.0357222743 TCL: Center of mass = 25.3317620263 -1.85673285912 1.1341046154 TCL: atom 1: phi = 1.03588386742 TCL: Center of mass = 25.3336086471 -1.85742532001 1.13419943766 TCL: atom 1: phi = 1.03617697552 TCL: Center of mass = 25.3354038893 -1.85813646849 1.13422585202 TCL: atom 1: phi = 1.03641962461 TCL: Center of mass = 25.337168654 -1.85885787999 1.13421568163 TCL: atom 1: phi = 1.03699791864 TCL: Center of mass = 25.3388704217 -1.85956911123 1.13415348841 TCL: atom 1: phi = 1.03757820824 TCL: Center of mass = 25.3405192454 -1.86027980055 1.13405962585 TCL: atom 1: phi = 1.03839363007 TCL: Center of mass = 25.3421236354 -1.86099208389 1.13389203606 TCL: atom 1: phi = 1.03898277933 TCL: Center of mass = 25.3437268337 -1.86168915277 1.133697959 TCL: atom 1: phi = 1.03948095825 TCL: Center of mass = 25.3453212387 -1.86239412264 1.13346749858 TCL: atom 1: phi = 1.03960417307 TCL: Center of mass = 25.3469479094 -1.86311649582 1.13322781827 TCL: atom 1: phi = 1.03953742964 TCL: Center of mass = 25.3485833204 -1.86385932836 1.1329705337 TCL: atom 1: phi = 1.03909356218 TCL: Center of mass = 25.3502437365 -1.86461123568 1.13271132313 TCL: atom 1: phi = 1.03859530376 TCL: Center of mass = 25.3519128385 -1.86536229241 1.13243110713 TCL: atom 1: phi = 1.03789205993 TCL: Center of mass = 25.3535857154 -1.86611704979 1.13216840356 TCL: atom 1: phi = 1.03744479307 TCL: Center of mass = 25.3552518929 -1.86686156663 1.13189303677 TCL: atom 1: phi = 1.03695970609 TCL: Center of mass = 25.3569264911 -1.86759965841 1.13163846774 TCL: atom 1: phi = 1.03669282691 TCL: Center of mass = 25.3586006052 -1.86830970617 1.13139244673 TCL: atom 1: phi = 1.03630842204 TCL: Center of mass = 25.3602855902 -1.86899653833 1.13117207783 TCL: atom 1: phi = 1.03596210158 TCL: Center of mass = 25.3619510822 -1.86963207601 1.13095209345 TCL: atom 1: phi = 1.03533262703 TCL: Center of mass = 25.3636415813 -1.87022181711 1.13074323782 TCL: atom 1: phi = 1.0346499875 TCL: Center of mass = 25.3653356776 -1.87078156722 1.13052128252 TCL: atom 1: phi = 1.03369750522 TCL: Center of mass = 25.3670671517 -1.87133704565 1.13033785798 TCL: atom 1: phi = 1.03282137307 TCL: Center of mass = 25.36879685 -1.87187511539 1.13018952004 TCL: atom 1: phi = 1.03191211098 TCL: Center of mass = 25.3705464835 -1.87240498578 1.1300637633 TCL: atom 1: phi = 1.0313694666 TCL: Center of mass = 25.3722440205 -1.87293231995 1.12997373949 TCL: atom 1: phi = 1.03093253922 TCL: Center of mass = 25.3739377175 -1.87346576077 1.12990772357 TCL: atom 1: phi = 1.03091873649 TCL: Center of mass = 25.3755871661 -1.87398440623 1.12983134327 TCL: atom 1: phi = 1.03098354929 TCL: Center of mass = 25.3772260002 -1.87450626421 1.12976623274 TCL: atom 1: phi = 1.03128651216 TCL: Center of mass = 25.3787911927 -1.87499471767 1.12967508116 TCL: atom 1: phi = 1.03141430091 TCL: Center of mass = 25.3803356502 -1.87546448842 1.12956460168 TCL: atom 1: phi = 1.0317167526 TCL: Center of mass = 25.3818625576 -1.87594132853 1.1294346309 TCL: atom 1: phi = 1.03186138616 TCL: Center of mass = 25.3833989462 -1.87642556973 1.12931397761 TCL: atom 1: phi = 1.03225880842 TCL: Center of mass = 25.3849261714 -1.87692136224 1.12919088674 TCL: atom 1: phi = 1.03268178708 TCL: Center of mass = 25.3864801969 -1.87745768029 1.12909139453 TCL: atom 1: phi = 1.03349468021 TCL: Center of mass = 25.3880424088 -1.87802026659 1.12901244636 TCL: atom 1: phi = 1.0344241545 TCL: Center of mass = 25.3896094957 -1.87862507393 1.12897191678 TCL: atom 1: phi = 1.03575299514 TCL: Center of mass = 25.3911752156 -1.87923022146 1.12895421719 TCL: atom 1: phi = 1.03706762242 TCL: Center of mass = 25.3927560059 -1.87982923965 1.12896271187 TCL: atom 1: phi = 1.03863960484 TCL: Center of mass = 25.3942946166 -1.88042040993 1.12895306994 TCL: atom 1: phi = 1.03988643813 TCL: Center of mass = 25.3958278547 -1.88097399216 1.12894094026 TCL: atom 1: phi = 1.04103777755 TCL: Center of mass = 25.3973149837 -1.88150635996 1.12891591376 TCL: atom 1: phi = 1.04181621739 TCL: Center of mass = 25.3987911333 -1.88201807567 1.12890158357 TCL: atom 1: phi = 1.04254895413 TCL: Center of mass = 25.4002613187 -1.88252537808 1.12888579543 TCL: atom 1: phi = 1.04293646715 TCL: Center of mass = 25.4017627699 -1.88303961988 1.12890419994 TCL: atom 1: phi = 1.04350725888 TCL: Center of mass = 25.4032732961 -1.88357079184 1.12895280262 TCL: atom 1: phi = 1.04396669721 TCL: Center of mass = 25.4047914688 -1.88412492255 1.12902774442 TCL: atom 1: phi = 1.04468375251 TCL: Center of mass = 25.4062981915 -1.88467428649 1.12908064573 TCL: atom 1: phi = 1.04525208869 TCL: Center of mass = 25.4077893374 -1.88520786293 1.12912796493 TCL: atom 1: phi = 1.04591150299 TCL: Center of mass = 25.4092406678 -1.88570419838 1.12912016127 TCL: atom 1: phi = 1.0462204657 TCL: Center of mass = 25.4106657245 -1.88615948086 1.12907980103 TCL: atom 1: phi = 1.04645660535 TCL: Center of mass = 25.4120198113 -1.88658757122 1.12897321214 TCL: atom 1: phi = 1.04630096352 TCL: Center of mass = 25.4133388001 -1.88697882487 1.12884252856 TCL: atom 1: phi = 1.04610024846 TCL: Center of mass = 25.4146412769 -1.88734105274 1.12867227503 TCL: atom 1: phi = 1.04564669742 TCL: Center of mass = 25.4159595374 -1.88771081354 1.12849372153 TCL: atom 1: phi = 1.04537032123 TCL: Center of mass = 25.4172886614 -1.88810071554 1.12832476666 TCL: atom 1: phi = 1.04495021423 TCL: Center of mass = 25.4186602295 -1.88849899966 1.12818182459 TCL: atom 1: phi = 1.04477096384 TCL: Center of mass = 25.4200509465 -1.88892147116 1.12803371233 TCL: atom 1: phi = 1.04456288376 TCL: Center of mass = 25.4214725676 -1.88935931896 1.12789918535 TCL: atom 1: phi = 1.0445097447 TCL: Center of mass = 25.4229134438 -1.88980089821 1.12774376175 TCL: atom 1: phi = 1.04423426737 TCL: Center of mass = 25.4243655545 -1.89023681308 1.12757672546 TCL: atom 1: phi = 1.04393397034 TCL: Center of mass = 25.4258082612 -1.89064969975 1.12741382832 TCL: atom 1: phi = 1.04330400225 TCL: Center of mass = 25.4272658934 -1.891032413 1.12724170056 TCL: atom 1: phi = 1.04264048858 TCL: Center of mass = 25.4287059938 -1.89137642349 1.12705539349 TCL: atom 1: phi = 1.04173375976 TCL: Center of mass = 25.4301757712 -1.89168763999 1.12689812036 TCL: atom 1: phi = 1.04096241721 TCL: Center of mass = 25.4316723155 -1.89199068413 1.12676981782 TCL: atom 1: phi = 1.0402200068 TCL: Center of mass = 25.4332188226 -1.89229746404 1.12667906858 TCL: atom 1: phi = 1.03984354811 TCL: Center of mass = 25.434824533 -1.89263208484 1.12664486998 TCL: atom 1: phi = 1.03960874503 TCL: Center of mass = 25.4364945578 -1.89300523247 1.126660665 TCL: atom 1: phi = 1.03968664501 TCL: Center of mass = 25.4381803558 -1.89340878224 1.12673450743 TCL: atom 1: phi = 1.03966812882 TCL: Center of mass = 25.4398596214 -1.89382258245 1.12682537725 TCL: atom 1: phi = 1.03981328123 TCL: Center of mass = 25.4415088201 -1.89422550542 1.1269230052 TCL: atom 1: phi = 1.03978149023 TCL: Center of mass = 25.4431416871 -1.89461180194 1.12702520785 TCL: atom 1: phi = 1.03986176412 TCL: Center of mass = 25.4447305947 -1.89497383374 1.12709937464 TCL: atom 1: phi = 1.03982538033 TCL: Center of mass = 25.4462941071 -1.89530869114 1.12716863514 TCL: atom 1: phi = 1.04008595575 TCL: Center of mass = 25.447849018 -1.89559527532 1.12724305849 TCL: atom 1: phi = 1.0404766444 TCL: Center of mass = 25.4494125215 -1.89586069085 1.12731231216 TCL: atom 1: phi = 1.04125084479 TCL: Center of mass = 25.4510077331 -1.89611440708 1.1273925412 TCL: atom 1: phi = 1.04216385724 TCL: Center of mass = 25.4526402042 -1.89638581798 1.12745382397 TCL: atom 1: phi = 1.043408341 TCL: Center of mass = 25.454293204 -1.89667340516 1.12750284799 TCL: atom 1: phi = 1.04452264922 TCL: Center of mass = 25.4559738601 -1.89699053025 1.12751738104 TCL: atom 1: phi = 1.04569447788 TCL: Center of mass = 25.4576634193 -1.89732162813 1.12751214274 TCL: atom 1: phi = 1.04659446432 TCL: Center of mass = 25.459365702 -1.89767332861 1.12749606248 TCL: atom 1: phi = 1.04741562892 TCL: Center of mass = 25.4610736951 -1.89800414705 1.12745313732 TCL: atom 1: phi = 1.04796890492 TCL: Center of mass = 25.4627941341 -1.89831612099 1.12740252279 TCL: atom 1: phi = 1.04852463005 TCL: Center of mass = 25.464505061 -1.89860065085 1.12730656924 TCL: atom 1: phi = 1.04895594778 TCL: Center of mass = 25.4662413929 -1.89885247072 1.12721022441 TCL: atom 1: phi = 1.04951141821 TCL: Center of mass = 25.4679798762 -1.89905628405 1.12712117682 TCL: atom 1: phi = 1.04992112322 TCL: Center of mass = 25.4697730409 -1.89925065227 1.12703848689 TCL: atom 1: phi = 1.05042202428 TCL: Center of mass = 25.4716056379 -1.89941650224 1.12698340235 TCL: atom 1: phi = 1.05070072547 TCL: Center of mass = 25.4734834329 -1.89957991295 1.12692817804 TCL: atom 1: phi = 1.05090930293 TCL: Center of mass = 25.4753909453 -1.89976911001 1.12689970784 TCL: atom 1: phi = 1.05082382942 TIMING: 18300 CPU: 981.075, 0.0542218/step Wall: 1170.81, 0.0639795/step, 0.0302126 hours remaining, 13612 kB of memory in use. ENERGY: 18300 3456.2864 2474.2167 379.2807 38.7133 -44785.1330 4097.9901 0.0000 0.0000 9901.1075 -24437.5383 293.5091 -24290.6064 -24292.7008 293.0882 1919.8192 -324.0643 125000.0000 -354.7149 -350.1836 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18300 WRITING COORDINATES TO DCD FILE AT STEP 18300 WRITING COORDINATES TO RESTART FILE AT STEP 18300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 25.4773084082 -1.89997521786 1.12691231178 TCL: atom 1: phi = 1.05061003537 TCL: Center of mass = 25.4792007452 -1.90020031286 1.12693961993 TCL: atom 1: phi = 1.0500826017 TCL: Center of mass = 25.4810785847 -1.90042106833 1.12701230493 TCL: atom 1: phi = 1.04957571325 TCL: Center of mass = 25.4829227704 -1.90061093358 1.12712134998 TCL: atom 1: phi = 1.04895404039 TCL: Center of mass = 25.4847466904 -1.90075535527 1.12726482516 TCL: atom 1: phi = 1.04861763724 TCL: Center of mass = 25.4865591626 -1.90085487502 1.12741902967 TCL: atom 1: phi = 1.04831565485 TCL: Center of mass = 25.4883689201 -1.90091867879 1.12756886968 TCL: atom 1: phi = 1.04829712882 TCL: Center of mass = 25.490171335 -1.90095103026 1.12771088832 TCL: atom 1: phi = 1.04827076606 TCL: Center of mass = 25.49197854 -1.900987901 1.12786263747 TCL: atom 1: phi = 1.04840744398 TCL: Center of mass = 25.4938011067 -1.90104404672 1.12801250071 TCL: atom 1: phi = 1.04840013405 TCL: Center of mass = 25.4956441159 -1.90113859595 1.12816258173 TCL: atom 1: phi = 1.04847546273 TCL: Center of mass = 25.4974733312 -1.90127418846 1.12830149773 TCL: atom 1: phi = 1.0483484144 TCL: Center of mass = 25.4992894743 -1.90145697708 1.12846337231 TCL: atom 1: phi = 1.04831771107 TCL: Center of mass = 25.5010690103 -1.90166270614 1.12858965 TCL: atom 1: phi = 1.04815805781 TCL: Center of mass = 25.5028250606 -1.90188150882 1.12868924331 TCL: atom 1: phi = 1.04817724704 TCL: Center of mass = 25.5045508599 -1.90210148892 1.12873873653 TCL: atom 1: phi = 1.04815049945 TCL: Center of mass = 25.5062651693 -1.90227863862 1.12874932858 TCL: atom 1: phi = 1.04836266282 TCL: Center of mass = 25.5079611431 -1.90243189823 1.12871081792 TCL: atom 1: phi = 1.04854944488 TCL: Center of mass = 25.5096702776 -1.90258923082 1.12863676587 TCL: atom 1: phi = 1.04890275365 TCL: Center of mass = 25.5113932443 -1.90276862436 1.12854035717 TCL: atom 1: phi = 1.04910173335 TCL: Center of mass = 25.513143434 -1.9029806135 1.12846212966 TCL: atom 1: phi = 1.0493292684 TCL: Center of mass = 25.5149139149 -1.90326293926 1.12840068406 TCL: atom 1: phi = 1.04932575102 TCL: Center of mass = 25.5167038297 -1.90358908733 1.12838762894 TCL: atom 1: phi = 1.04929769475 TCL: Center of mass = 25.5185042078 -1.90395592027 1.12840994077 TCL: atom 1: phi = 1.04911760835 TCL: Center of mass = 25.5203105492 -1.90432775677 1.12844358446 TCL: atom 1: phi = 1.04905264506 TCL: Center of mass = 25.5221157767 -1.90468799272 1.12847997545 TCL: atom 1: phi = 1.04893605247 TCL: Center of mass = 25.5238926853 -1.90502103092 1.12850900564 TCL: atom 1: phi = 1.04900773287 TCL: Center of mass = 25.5256520112 -1.90531927171 1.1284988166 TCL: atom 1: phi = 1.04906551866 TCL: Center of mass = 25.5273847424 -1.90560190057 1.12847642464 TCL: atom 1: phi = 1.04927083123 TCL: Center of mass = 25.5291104716 -1.90586453394 1.12843844518 TCL: atom 1: phi = 1.0492980005 TCL: Center of mass = 25.5308520171 -1.90613454096 1.12841086649 TCL: atom 1: phi = 1.04924503226 TCL: Center of mass = 25.5326144257 -1.90642802594 1.12839767961 TCL: atom 1: phi = 1.04887763497 TCL: Center of mass = 25.5344081341 -1.90681152908 1.12842749139 TCL: atom 1: phi = 1.04829267574 TCL: Center of mass = 25.5362283775 -1.90725795926 1.12848636177 TCL: atom 1: phi = 1.04730313138 TCL: Center of mass = 25.5380777919 -1.90774200979 1.12857191387 TCL: atom 1: phi = 1.04623999558 TCL: Center of mass = 25.5399108008 -1.90824902646 1.1286509421 TCL: atom 1: phi = 1.04505216841 TCL: Center of mass = 25.5417165515 -1.90876614988 1.12869217898 TCL: atom 1: phi = 1.04394349479 TCL: Center of mass = 25.5434668579 -1.90925037567 1.12868039569 TCL: atom 1: phi = 1.04283808816 TCL: Center of mass = 25.5451724055 -1.90970262606 1.12860445043 TCL: atom 1: phi = 1.04188930579 TCL: Center of mass = 25.5468353877 -1.91011969677 1.12847604921 TCL: atom 1: phi = 1.0409122562 TCL: Center of mass = 25.5485144692 -1.91052184367 1.12834322951 TCL: atom 1: phi = 1.04003086922 TCL: Center of mass = 25.5502109607 -1.9109353558 1.12821724111 TCL: atom 1: phi = 1.03898938206 TCL: Center of mass = 25.5519634032 -1.91135714747 1.12812307589 TCL: atom 1: phi = 1.03790604414 TCL: Center of mass = 25.5537523962 -1.91182163846 1.12807125039 TCL: atom 1: phi = 1.03671746437 TCL: Center of mass = 25.5556135808 -1.91232610937 1.12806339857 TCL: atom 1: phi = 1.03557565527 TCL: Center of mass = 25.5574762879 -1.9128676074 1.12809080985 TCL: atom 1: phi = 1.03441304166 TCL: Center of mass = 25.5593372794 -1.9134328501 1.12814579746 TCL: atom 1: phi = 1.03350550797 TCL: Center of mass = 25.5611703118 -1.91400552228 1.12819569856 TCL: atom 1: phi = 1.03276276888 TCL: Center of mass = 25.5629863267 -1.91455218019 1.12823530468 TCL: atom 1: phi = 1.03227385757 TCL: Center of mass = 25.5647658907 -1.915051293 1.12821967236 TCL: atom 1: phi = 1.03192022075 TCL: Center of mass = 25.5665753782 -1.91553738965 1.12818761341 TCL: atom 1: phi = 1.03174019439 TCL: Center of mass = 25.5684022992 -1.91601517636 1.12814829856 TCL: atom 1: phi = 1.03154198179 TCL: Center of mass = 25.5702749068 -1.9164963589 1.12811678348 TCL: atom 1: phi = 1.03142938435 TCL: Center of mass = 25.5721870858 -1.91701814571 1.12808846072 TCL: atom 1: phi = 1.03124245663 TCL: Center of mass = 25.574139721 -1.91756381884 1.12807980939 TCL: atom 1: phi = 1.03106053745 TCL: Center of mass = 25.5761046171 -1.91813433965 1.12809993235 TCL: atom 1: phi = 1.03083435405 TCL: Center of mass = 25.5780912919 -1.9187345937 1.12813300546 TCL: atom 1: phi = 1.03079310693 TCL: Center of mass = 25.5800636572 -1.9193515043 1.12812176544 TCL: atom 1: phi = 1.03084950585 TCL: Center of mass = 25.5820279605 -1.91997978151 1.12808340935 TCL: atom 1: phi = 1.0311283308 TCL: Center of mass = 25.5839567775 -1.92058888339 1.12798599877 TCL: atom 1: phi = 1.03158029622 TCL: Center of mass = 25.5858617476 -1.92119212369 1.12788010374 TCL: atom 1: phi = 1.03223626498 TCL: Center of mass = 25.5877429301 -1.92177539348 1.12776811464 TCL: atom 1: phi = 1.03290422317 TCL: Center of mass = 25.5896215538 -1.92236344862 1.12767856975 TCL: atom 1: phi = 1.03363526536 TCL: Center of mass = 25.5914867702 -1.92298839319 1.12759815408 TCL: atom 1: phi = 1.03422714868 TCL: Center of mass = 25.5933796588 -1.92364719693 1.12757403782 TCL: atom 1: phi = 1.03477412591 TCL: Center of mass = 25.5952797728 -1.92435217996 1.12758665754 TCL: atom 1: phi = 1.03527111516 TCL: Center of mass = 25.5971790587 -1.92508705668 1.12763611815 TCL: atom 1: phi = 1.03586004078 TCL: Center of mass = 25.5990388838 -1.92585527346 1.1277177373 TCL: atom 1: phi = 1.0364478249 TCL: Center of mass = 25.6008822118 -1.92663298172 1.12783423846 TCL: atom 1: phi = 1.03720263723 TCL: Center of mass = 25.6026889195 -1.9274088739 1.12796350195 TCL: atom 1: phi = 1.03804428307 TCL: Center of mass = 25.6044718236 -1.92818265771 1.1281125935 TCL: atom 1: phi = 1.03901420596 TCL: Center of mass = 25.6061925619 -1.92895204307 1.1282771799 TCL: atom 1: phi = 1.03989401338 TCL: Center of mass = 25.6078821749 -1.92971474708 1.12845908425 TCL: atom 1: phi = 1.04071033506 TCL: Center of mass = 25.6095706461 -1.93047506793 1.12866049781 TCL: atom 1: phi = 1.04130379018 TCL: Center of mass = 25.6112994195 -1.93125609872 1.12887011622 TCL: atom 1: phi = 1.04175856472 TCL: Center of mass = 25.6130182127 -1.93205171754 1.12907131607 TCL: atom 1: phi = 1.04192254029 TCL: Center of mass = 25.6147410079 -1.93284703061 1.12924556898 TCL: atom 1: phi = 1.04204135841 TCL: Center of mass = 25.6164838058 -1.93364830309 1.12940208448 TCL: atom 1: phi = 1.04206165897 TCL: Center of mass = 25.6182578117 -1.93445132605 1.12953849245 TCL: atom 1: phi = 1.04216866589 TCL: Center of mass = 25.6200184623 -1.93524448502 1.12963891726 TCL: atom 1: phi = 1.04229459955 TCL: Center of mass = 25.6218036856 -1.93602946998 1.12972830427 TCL: atom 1: phi = 1.04258328883 TCL: Center of mass = 25.6235898158 -1.93676623483 1.12980766766 TCL: atom 1: phi = 1.04285312118 TCL: Center of mass = 25.6253893336 -1.937451188 1.12987482354 TCL: atom 1: phi = 1.04318989374 TCL: Center of mass = 25.6271617226 -1.93807936379 1.1299248663 TCL: atom 1: phi = 1.04338638282 TCL: Center of mass = 25.6289368192 -1.93869682249 1.12996935172 TCL: atom 1: phi = 1.04354700165 TCL: Center of mass = 25.6307024823 -1.93927766069 1.13000452937 TCL: atom 1: phi = 1.04353960492 TCL: Center of mass = 25.6324385279 -1.93984926276 1.13002965244 TCL: atom 1: phi = 1.04356564092 TCL: Center of mass = 25.6341802172 -1.94042284857 1.13002412941 TCL: atom 1: phi = 1.04355604779 TCL: Center of mass = 25.6359421332 -1.94102853829 1.13001629232 TCL: atom 1: phi = 1.04371746151 TCL: Center of mass = 25.6376808298 -1.94162059441 1.13001288582 TCL: atom 1: phi = 1.04397750968 TCL: Center of mass = 25.6394258745 -1.94222180978 1.1300175095 TCL: atom 1: phi = 1.04447131656 TCL: Center of mass = 25.6411652833 -1.94280934397 1.13003711503 TCL: atom 1: phi = 1.04500021298 TCL: Center of mass = 25.6429094858 -1.94338160102 1.13008216871 TCL: atom 1: phi = 1.04552141979 TCL: Center of mass = 25.644606731 -1.94390691565 1.13014928738 TCL: atom 1: phi = 1.04588349796 TCL: Center of mass = 25.6462823855 -1.94437823431 1.13024066092 TCL: atom 1: phi = 1.04608777679 TCL: Center of mass = 25.6479363997 -1.94481218764 1.13030480787 TCL: atom 1: phi = 1.04601229813 TCL: Center of mass = 25.6495807851 -1.94522799303 1.13035040797 TCL: atom 1: phi = 1.04579559411 TCL: Center of mass = 25.6512069842 -1.94563606678 1.1303789933 TCL: atom 1: phi = 1.04533609327 TCL: Center of mass = 25.6528682561 -1.94603755999 1.13040090733 TCL: atom 1: phi = 1.0449105482 TCL: Center of mass = 25.6545381289 -1.94644189453 1.1304042401 TCL: atom 1: phi = 1.04447959318 WRITING COORDINATES TO DCD FILE AT STEP 18400 WRITING COORDINATES TO RESTART FILE AT STEP 18400 FINISHED WRITING RESTART COORDINATES TIMING: 18400 CPU: 986.486, 0.0541118/step Wall: 1177.36, 0.0655615/step, 0.0291384 hours remaining, 13612 kB of memory in use. ENERGY: 18400 3477.9702 2596.2622 387.4656 37.2305 -44959.3491 4151.7159 0.0000 0.0000 9885.1684 -24423.5363 293.0366 -24277.4041 -24275.9708 292.7390 1332.2984 -549.7866 125000.0000 -287.9771 -289.0176 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18400 WRITING VELOCITIES TO RESTART FILE AT STEP 18400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 25.6562583235 -1.94686129605 1.13040779589 TCL: atom 1: phi = 1.04419945894 TCL: Center of mass = 25.6580118827 -1.94728325664 1.13041116765 TCL: atom 1: phi = 1.04396520294 TCL: Center of mass = 25.6598196297 -1.94770212664 1.13043386081 TCL: atom 1: phi = 1.04381265304 TCL: Center of mass = 25.6616289117 -1.9480671524 1.13045376516 TCL: atom 1: phi = 1.04347354008 TCL: Center of mass = 25.6634388414 -1.94839076593 1.13044391714 TCL: atom 1: phi = 1.04300808752 TCL: Center of mass = 25.6652234487 -1.94866497514 1.13040557819 TCL: atom 1: phi = 1.0423075261 TCL: Center of mass = 25.6669844479 -1.94889147872 1.13034275647 TCL: atom 1: phi = 1.04154345545 TCL: Center of mass = 25.6687330712 -1.94907170221 1.1302146626 TCL: atom 1: phi = 1.04072578171 TCL: Center of mass = 25.6704948975 -1.94926233227 1.13002970396 TCL: atom 1: phi = 1.04012518681 TCL: Center of mass = 25.6722620123 -1.94946263151 1.1297955823 TCL: atom 1: phi = 1.03974613587 TCL: Center of mass = 25.6740315905 -1.94967963475 1.12953571901 TCL: atom 1: phi = 1.03974728251 TCL: Center of mass = 25.675794178 -1.94993737981 1.12926421096 TCL: atom 1: phi = 1.0399548123 TCL: Center of mass = 25.6775840229 -1.95023292321 1.12898290163 TCL: atom 1: phi = 1.04036631135 TCL: Center of mass = 25.6793635284 -1.9505587754 1.12871810203 TCL: atom 1: phi = 1.04070002352 TCL: Center of mass = 25.6811246919 -1.95088920717 1.12846698559 TCL: atom 1: phi = 1.04100844464 TCL: Center of mass = 25.6828153682 -1.95120863373 1.12822487471 TCL: atom 1: phi = 1.04109520066 TCL: Center of mass = 25.6844504294 -1.95148838961 1.12797805524 TCL: atom 1: phi = 1.04109878936 TCL: Center of mass = 25.6860333825 -1.95174062738 1.12770624731 TCL: atom 1: phi = 1.04093801486 TCL: Center of mass = 25.687585943 -1.95197756679 1.12743232369 TCL: atom 1: phi = 1.04078834089 TCL: Center of mass = 25.6891212933 -1.9522016367 1.12714528714 TCL: atom 1: phi = 1.04068256742 TCL: Center of mass = 25.6906785284 -1.95243464407 1.1268777494 TCL: atom 1: phi = 1.04074854059 TCL: Center of mass = 25.692256461 -1.95268579101 1.12662565615 TCL: atom 1: phi = 1.04092712064 TCL: Center of mass = 25.693855061 -1.95295155719 1.12641706147 TCL: atom 1: phi = 1.04124897492 TCL: Center of mass = 25.6954437942 -1.95321496964 1.12624120539 TCL: atom 1: phi = 1.04146658134 TCL: Center of mass = 25.6970351368 -1.95347648041 1.12609185031 TCL: atom 1: phi = 1.0415837872 TCL: Center of mass = 25.6986081324 -1.95372154142 1.12595669379 TCL: atom 1: phi = 1.0413817531 TCL: Center of mass = 25.7001784219 -1.95391635633 1.12581741472 TCL: atom 1: phi = 1.04100514229 TCL: Center of mass = 25.7017028969 -1.95404428589 1.12564667254 TCL: atom 1: phi = 1.04048254577 TCL: Center of mass = 25.7032264764 -1.95413107947 1.12544139765 TCL: atom 1: phi = 1.03998410596 TCL: Center of mass = 25.7047503013 -1.95417410088 1.12520606938 TCL: atom 1: phi = 1.0396008465 TCL: Center of mass = 25.7063147379 -1.95420248534 1.12496486659 TCL: atom 1: phi = 1.03954343419 TCL: Center of mass = 25.7078804802 -1.95423234544 1.12472066113 TCL: atom 1: phi = 1.03969727291 TCL: Center of mass = 25.7094842061 -1.95427588188 1.12450407246 TCL: atom 1: phi = 1.04015045267 TCL: Center of mass = 25.7111049795 -1.95432537338 1.12427664611 TCL: atom 1: phi = 1.04066851755 TCL: Center of mass = 25.7127657396 -1.95437401897 1.12405653339 TCL: atom 1: phi = 1.04124367624 TCL: Center of mass = 25.7144020525 -1.95442546944 1.12383603348 TCL: atom 1: phi = 1.04168144691 TCL: Center of mass = 25.7160232718 -1.95446316122 1.123624729 TCL: atom 1: phi = 1.04206067832 TCL: Center of mass = 25.7175984319 -1.95449499029 1.12338816238 TCL: atom 1: phi = 1.04224986153 TCL: Center of mass = 25.7191644408 -1.95447433514 1.12316728004 TCL: atom 1: phi = 1.04249477443 TCL: Center of mass = 25.7207304205 -1.95445479088 1.12293257955 TCL: atom 1: phi = 1.04276672575 TCL: Center of mass = 25.722330494 -1.9544452671 1.12274389055 TCL: atom 1: phi = 1.04328848289 TCL: Center of mass = 25.7239675597 -1.95442628466 1.12257576297 TCL: atom 1: phi = 1.04393374149 TCL: Center of mass = 25.7256693179 -1.954423829 1.12245223433 TCL: atom 1: phi = 1.04486871311 TCL: Center of mass = 25.7273962601 -1.95445795078 1.12233845062 TCL: atom 1: phi = 1.04588796461 TCL: Center of mass = 25.7291549749 -1.9545431744 1.12224315478 TCL: atom 1: phi = 1.0470141175 TCL: Center of mass = 25.7309201185 -1.95467581803 1.12216148254 TCL: atom 1: phi = 1.04795043264 TCL: Center of mass = 25.732661262 -1.95481734479 1.12208529914 TCL: atom 1: phi = 1.04879637174 TCL: Center of mass = 25.7343454882 -1.95498100908 1.12199638208 TCL: atom 1: phi = 1.04942951011 TCL: Center of mass = 25.7360041062 -1.95513351182 1.12190238468 TCL: atom 1: phi = 1.05007910566 TCL: Center of mass = 25.7376402326 -1.95527154616 1.12178878791 TCL: atom 1: phi = 1.05064138934 TCL: Center of mass = 25.739285679 -1.95540816024 1.12167062645 TCL: atom 1: phi = 1.05139607046 TCL: Center of mass = 25.7409068996 -1.95552831176 1.12151400791 TCL: atom 1: phi = 1.05231879298 TCL: Center of mass = 25.74256158 -1.95563582851 1.12135975974 TCL: atom 1: phi = 1.05355104211 TCL: Center of mass = 25.7442080965 -1.95578208795 1.12120438218 TCL: atom 1: phi = 1.05479089031 TCL: Center of mass = 25.7458663819 -1.95596471361 1.12104017602 TCL: atom 1: phi = 1.05608739848 TCL: Center of mass = 25.7474895611 -1.95620387811 1.12084956116 TCL: atom 1: phi = 1.05718465654 TCL: Center of mass = 25.7491024748 -1.95645690389 1.12064018826 TCL: atom 1: phi = 1.05815440876 TCL: Center of mass = 25.7506768463 -1.95677790975 1.12040324565 TCL: atom 1: phi = 1.05870108059 TCL: Center of mass = 25.7522238882 -1.95713055076 1.12015017267 TCL: atom 1: phi = 1.05912860279 TCL: Center of mass = 25.7537173389 -1.95749846458 1.11990683403 TCL: atom 1: phi = 1.05931452445 TCL: Center of mass = 25.7551972937 -1.95784882933 1.11967268943 TCL: atom 1: phi = 1.05953400426 TCL: Center of mass = 25.756642639 -1.95820066936 1.11946304859 TCL: atom 1: phi = 1.05968231001 TCL: Center of mass = 25.7580801413 -1.95855203053 1.1192789794 TCL: atom 1: phi = 1.0600198685 TCL: Center of mass = 25.7594979907 -1.95891067709 1.11909866498 TCL: atom 1: phi = 1.06037057879 TCL: Center of mass = 25.760917156 -1.95926922406 1.11892423149 TCL: atom 1: phi = 1.06087634052 TCL: Center of mass = 25.7623393367 -1.95966646302 1.11872827327 TCL: atom 1: phi = 1.06121961471 TCL: Center of mass = 25.7637629889 -1.96010905745 1.11850993033 TCL: atom 1: phi = 1.06150703378 TCL: Center of mass = 25.7651682901 -1.96055509139 1.11827143785 TCL: atom 1: phi = 1.06148507876 TCL: Center of mass = 25.7665585698 -1.96102385846 1.11803663257 TCL: atom 1: phi = 1.06137281273 TCL: Center of mass = 25.7679502896 -1.96150652116 1.11778744905 TCL: atom 1: phi = 1.06104217805 TCL: Center of mass = 25.7693643066 -1.9619708781 1.11753375031 TCL: atom 1: phi = 1.06087156878 TCL: Center of mass = 25.7707492189 -1.96239923469 1.11728094606 TCL: atom 1: phi = 1.06079543582 TCL: Center of mass = 25.7721491298 -1.96277533487 1.11703192493 TCL: atom 1: phi = 1.06107872643 TCL: Center of mass = 25.773535869 -1.9631213818 1.11678034685 TCL: atom 1: phi = 1.06153747307 TCL: Center of mass = 25.7749296743 -1.96342845955 1.1165116836 TCL: atom 1: phi = 1.06231702452 TCL: Center of mass = 25.7763054394 -1.96372969639 1.11622694987 TCL: atom 1: phi = 1.06307164924 TCL: Center of mass = 25.7776889115 -1.96403611198 1.11590249468 TCL: atom 1: phi = 1.06389366283 TCL: Center of mass = 25.7790629317 -1.96437358803 1.11553425885 TCL: atom 1: phi = 1.06445726026 TCL: Center of mass = 25.7804500723 -1.96474687602 1.11514426969 TCL: atom 1: phi = 1.06493309795 TCL: Center of mass = 25.7818328927 -1.96512638146 1.11472811937 TCL: atom 1: phi = 1.0651467149 TCL: Center of mass = 25.7832313836 -1.96551353872 1.11429005885 TCL: atom 1: phi = 1.06542421977 TCL: Center of mass = 25.7846071337 -1.96590817944 1.11388042957 TCL: atom 1: phi = 1.06569861065 TCL: Center of mass = 25.7859931082 -1.96628348489 1.11351225917 TCL: atom 1: phi = 1.06628081595 TCL: Center of mass = 25.7873255502 -1.96662347841 1.11317938487 TCL: atom 1: phi = 1.0669565325 TCL: Center of mass = 25.7886426242 -1.96694682655 1.11285143065 TCL: atom 1: phi = 1.06785380888 TCL: Center of mass = 25.7898981884 -1.96727048075 1.11255791378 TCL: atom 1: phi = 1.06864872138 TCL: Center of mass = 25.7911272759 -1.9676057689 1.11226131781 TCL: atom 1: phi = 1.06945909163 TCL: Center of mass = 25.7923389529 -1.96796370072 1.11197108203 TCL: atom 1: phi = 1.06999430889 TCL: Center of mass = 25.7935757401 -1.96834688986 1.11170680341 TCL: atom 1: phi = 1.07047023857 TCL: Center of mass = 25.7947992511 -1.968772769 1.11145022722 TCL: atom 1: phi = 1.07065310359 TCL: Center of mass = 25.796069291 -1.96923370183 1.11123983888 TCL: atom 1: phi = 1.07091368492 TCL: Center of mass = 25.7973404635 -1.96972051157 1.11105524432 TCL: atom 1: phi = 1.07116398369 TCL: Center of mass = 25.7986391633 -1.97020986227 1.11093326165 TCL: atom 1: phi = 1.07166533445 TCL: Center of mass = 25.7999107792 -1.97069321127 1.11084746018 TCL: atom 1: phi = 1.07213067687 TCL: Center of mass = 25.8011874356 -1.97114491711 1.11078057218 TCL: atom 1: phi = 1.07274695275 TCL: Center of mass = 25.8024126355 -1.9715984432 1.1107073373 TCL: atom 1: phi = 1.07314980186 TCL: Center of mass = 25.8036380847 -1.97206259486 1.11060618557 TCL: atom 1: phi = 1.07350202437 TCL: Center of mass = 25.8048653784 -1.97253269074 1.11048061114 TCL: atom 1: phi = 1.07343102303 TCL: Center of mass = 25.8061114269 -1.9730092801 1.11033336286 TCL: atom 1: phi = 1.07314387981 TCL: Center of mass = 25.8073550564 -1.97352989266 1.11015934312 TCL: atom 1: phi = 1.07243331454 WRITING COORDINATES TO DCD FILE AT STEP 18500 WRITING COORDINATES TO RESTART FILE AT STEP 18500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18500 FINISHED WRITING RESTART VELOCITIES TIMING: 18500 CPU: 991.894, 0.0540818/step Wall: 1183.82, 0.0645619/step, 0.0269008 hours remaining, 13612 kB of memory in use. ENERGY: 18500 3437.6329 2518.0168 384.1133 41.3083 -44991.5181 4127.3126 0.0000 0.0000 10060.9352 -24422.1989 298.2471 -24277.0617 -24271.3514 293.6903 1415.9492 -558.0160 125000.0000 -438.8291 -439.8213 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18500 TCL: Center of mass = 25.8086592441 -1.97407362108 1.10997901919 TCL: atom 1: phi = 1.0716618641 TCL: Center of mass = 25.8099691375 -1.97465154155 1.10979410954 TCL: atom 1: phi = 1.07070807596 TCL: Center of mass = 25.8112803565 -1.97524192029 1.10964688052 TCL: atom 1: phi = 1.06987766717 TCL: Center of mass = 25.8125664115 -1.9758114003 1.10948081473 TCL: atom 1: phi = 1.06905434458 TCL: Center of mass = 25.8138042404 -1.97635433357 1.10931842101 TCL: atom 1: phi = 1.06840205248 TCL: Center of mass = 25.8149765552 -1.97685257488 1.10912922063 TCL: atom 1: phi = 1.06771740463 TCL: Center of mass = 25.8161024566 -1.97734097232 1.10894677876 TCL: atom 1: phi = 1.06710473868 TCL: Center of mass = 25.8171714939 -1.97778693415 1.1087462379 TCL: atom 1: phi = 1.06632753438 TCL: Center of mass = 25.818233488 -1.9782351075 1.10854126602 TCL: atom 1: phi = 1.06551315623 TCL: Center of mass = 25.8193038294 -1.97868429132 1.1083551953 TCL: atom 1: phi = 1.06448708238 TCL: Center of mass = 25.8204043595 -1.97917358543 1.10818194962 TCL: atom 1: phi = 1.06360571929 TCL: Center of mass = 25.8215281718 -1.97966510709 1.10800764323 TCL: atom 1: phi = 1.06270809508 TCL: Center of mass = 25.8226753784 -1.98017814941 1.10785608756 TCL: atom 1: phi = 1.0621695914 TCL: Center of mass = 25.8238329849 -1.98068513472 1.10771898433 TCL: atom 1: phi = 1.06179646086 TCL: Center of mass = 25.8250019955 -1.98116745356 1.10761342019 TCL: atom 1: phi = 1.06183176934 TCL: Center of mass = 25.8261490127 -1.98160473105 1.10750029176 TCL: atom 1: phi = 1.06190885257 TCL: Center of mass = 25.8272893423 -1.98200959649 1.10739800798 TCL: atom 1: phi = 1.06215654553 TCL: Center of mass = 25.8284250759 -1.98234847008 1.10730111409 TCL: atom 1: phi = 1.06228513631 TCL: Center of mass = 25.8295895208 -1.98265753954 1.10721866361 TCL: atom 1: phi = 1.0624546517 TCL: Center of mass = 25.8307745755 -1.98293372903 1.10712503727 TCL: atom 1: phi = 1.0623906162 TCL: Center of mass = 25.8320022936 -1.98317795457 1.10703489391 TCL: atom 1: phi = 1.06238343687 TCL: Center of mass = 25.833260803 -1.98342015258 1.10695809917 TCL: atom 1: phi = 1.06218738481 TCL: Center of mass = 25.8345555578 -1.98365520201 1.10690468862 TCL: atom 1: phi = 1.06213868586 TCL: Center of mass = 25.8358542404 -1.98388391815 1.1068496538 TCL: atom 1: phi = 1.06199505914 TCL: Center of mass = 25.8371712588 -1.98409022932 1.10680392347 TCL: atom 1: phi = 1.06206616101 TCL: Center of mass = 25.8384497331 -1.98426992666 1.10676717607 TCL: atom 1: phi = 1.06208493777 TCL: Center of mass = 25.8397127063 -1.98442413079 1.10671269057 TCL: atom 1: phi = 1.0622388404 TCL: Center of mass = 25.8409385284 -1.98455378528 1.10665200649 TCL: atom 1: phi = 1.06222088162 TCL: Center of mass = 25.8421766901 -1.9846707366 1.10660673141 TCL: atom 1: phi = 1.06219104108 TCL: Center of mass = 25.8434122939 -1.98476213832 1.1065889543 TCL: atom 1: phi = 1.06188771441 TCL: Center of mass = 25.8446658327 -1.9848506799 1.1065858272 TCL: atom 1: phi = 1.06168580319 TCL: Center of mass = 25.8459277009 -1.98495531942 1.10659462598 TCL: atom 1: phi = 1.06139414175 TCL: Center of mass = 25.8472162441 -1.98507231543 1.1066164487 TCL: atom 1: phi = 1.06140216523 TCL: Center of mass = 25.8485227163 -1.98521844381 1.10662571773 TCL: atom 1: phi = 1.06140429266 TCL: Center of mass = 25.849861873 -1.98537750762 1.10661765683 TCL: atom 1: phi = 1.0616577644 TCL: Center of mass = 25.8512175733 -1.98555529948 1.10659559342 TCL: atom 1: phi = 1.06183032918 TCL: Center of mass = 25.8526045171 -1.98574324085 1.10655846575 TCL: atom 1: phi = 1.06214514279 TCL: Center of mass = 25.8540024263 -1.98593947605 1.10650085295 TCL: atom 1: phi = 1.0622115414 TCL: Center of mass = 25.8554476523 -1.98615675521 1.10644646933 TCL: atom 1: phi = 1.06229948335 TCL: Center of mass = 25.8569174823 -1.9863772267 1.10637851685 TCL: atom 1: phi = 1.0619970113 TCL: Center of mass = 25.8584322329 -1.98659691918 1.10630935441 TCL: atom 1: phi = 1.06168323739 TCL: Center of mass = 25.8599392719 -1.98685077903 1.10623538481 TCL: atom 1: phi = 1.0610967366 TCL: Center of mass = 25.861466471 -1.98711093233 1.10616033434 TCL: atom 1: phi = 1.0606420125 TCL: Center of mass = 25.8629628523 -1.98738347307 1.10605410182 TCL: atom 1: phi = 1.06008013773 TCL: Center of mass = 25.8644537666 -1.98765467525 1.10591174837 TCL: atom 1: phi = 1.05976735524 TCL: Center of mass = 25.8659249556 -1.98793154894 1.10571473818 TCL: atom 1: phi = 1.05943703928 TCL: Center of mass = 25.8674223425 -1.98822591668 1.10550217795 TCL: atom 1: phi = 1.05930244482 TCL: Center of mass = 25.8689125219 -1.9885237843 1.1052580597 TCL: atom 1: phi = 1.05902249432 TCL: Center of mass = 25.8704218216 -1.98881197765 1.10499133772 TCL: atom 1: phi = 1.05887048165 TCL: Center of mass = 25.8719233601 -1.98911907598 1.10470926978 TCL: atom 1: phi = 1.0585473911 TCL: Center of mass = 25.8734368818 -1.98941120813 1.10444479396 TCL: atom 1: phi = 1.05835051502 TCL: Center of mass = 25.8749277453 -1.98968948755 1.10417612202 TCL: atom 1: phi = 1.05802315681 TCL: Center of mass = 25.8764135287 -1.98996838222 1.10391497022 TCL: atom 1: phi = 1.05799015048 TCL: Center of mass = 25.8778627563 -1.99022297274 1.10360423138 TCL: atom 1: phi = 1.05799714279 TCL: Center of mass = 25.8793142448 -1.99047837697 1.10328348219 TCL: atom 1: phi = 1.05835514586 TCL: Center of mass = 25.8807341316 -1.99072373941 1.10291880702 TCL: atom 1: phi = 1.05872975716 TCL: Center of mass = 25.8821827566 -1.99097971502 1.10251924514 TCL: atom 1: phi = 1.0594360127 TCL: Center of mass = 25.8836492873 -1.99124765683 1.10209357758 TCL: atom 1: phi = 1.06005131099 TCL: Center of mass = 25.8851792163 -1.9915542676 1.10166929613 TCL: atom 1: phi = 1.060760614 TCL: Center of mass = 25.8867432666 -1.9918693338 1.10125191113 TCL: atom 1: phi = 1.06119008635 TCL: Center of mass = 25.8883473374 -1.9921929746 1.10086188948 TCL: atom 1: phi = 1.06163406842 TCL: Center of mass = 25.8899403238 -1.99253706386 1.10049823106 TCL: atom 1: phi = 1.06181208418 TCL: Center of mass = 25.8915222268 -1.99289500634 1.10015079097 TCL: atom 1: phi = 1.06212118548 TCL: Center of mass = 25.8930637979 -1.99323042098 1.09982486333 TCL: atom 1: phi = 1.06219681869 TCL: Center of mass = 25.8946117956 -1.99359571306 1.09949731883 TCL: atom 1: phi = 1.06239581025 TCL: Center of mass = 25.8961363866 -1.99397239286 1.09913348901 TCL: atom 1: phi = 1.06244293161 TCL: Center of mass = 25.8976970101 -1.99437386652 1.09873807263 TCL: atom 1: phi = 1.06260336137 TCL: Center of mass = 25.8992582736 -1.99482038522 1.0983124867 TCL: atom 1: phi = 1.06247927606 TCL: Center of mass = 25.9008753081 -1.99531662892 1.09789597813 TCL: atom 1: phi = 1.06232386283 TCL: Center of mass = 25.9025129353 -1.99584361339 1.09748840124 TCL: atom 1: phi = 1.06187195996 TCL: Center of mass = 25.9041874006 -1.99641585702 1.09707706754 TCL: atom 1: phi = 1.06148339675 TCL: Center of mass = 25.9058256487 -1.99698554525 1.09666688117 TCL: atom 1: phi = 1.06094949231 TCL: Center of mass = 25.9074247455 -1.99751872444 1.09624561967 TCL: atom 1: phi = 1.06060738833 TCL: Center of mass = 25.9089501948 -1.99799903668 1.09581145608 TCL: atom 1: phi = 1.0603094286 TCL: Center of mass = 25.9104460146 -1.99843528778 1.09535064778 TCL: atom 1: phi = 1.06039654073 TCL: Center of mass = 25.9118935928 -1.99881396481 1.09485797652 TCL: atom 1: phi = 1.0605677501 TCL: Center of mass = 25.9133455993 -1.99915677525 1.09434656145 TCL: atom 1: phi = 1.06100163163 TCL: Center of mass = 25.9148010433 -1.99950230097 1.09378590762 TCL: atom 1: phi = 1.06133113892 TCL: Center of mass = 25.9163104503 -1.99987337011 1.09321530509 TCL: atom 1: phi = 1.06171170474 TCL: Center of mass = 25.9178514286 -2.0002684793 1.0926488125 TCL: atom 1: phi = 1.0618199185 TCL: Center of mass = 25.9194318028 -2.00067667765 1.09208265192 TCL: atom 1: phi = 1.06190040996 TCL: Center of mass = 25.921004275 -2.00106409842 1.09150324436 TCL: atom 1: phi = 1.06179420493 TCL: Center of mass = 25.9225694615 -2.00141910624 1.09092841693 TCL: atom 1: phi = 1.06175183027 TCL: Center of mass = 25.9240677538 -2.00173879015 1.09035857702 TCL: atom 1: phi = 1.06155918781 TCL: Center of mass = 25.9255461507 -2.00202080124 1.08979058041 TCL: atom 1: phi = 1.06142712352 TCL: Center of mass = 25.926959332 -2.0022725656 1.08919112026 TCL: atom 1: phi = 1.06116982551 TCL: Center of mass = 25.9283695603 -2.00251369513 1.08860562775 TCL: atom 1: phi = 1.06093012101 TCL: Center of mass = 25.9297710699 -2.00276506357 1.08802178186 TCL: atom 1: phi = 1.06045388785 TCL: Center of mass = 25.9311828396 -2.00304643885 1.0874355029 TCL: atom 1: phi = 1.06001153796 TCL: Center of mass = 25.9326062596 -2.00338433378 1.08685730364 TCL: atom 1: phi = 1.0594099282 TCL: Center of mass = 25.9340667405 -2.00378101753 1.08629042767 TCL: atom 1: phi = 1.05889863728 TCL: Center of mass = 25.9355334538 -2.00420143552 1.08573799756 TCL: atom 1: phi = 1.05839577645 TCL: Center of mass = 25.9370080179 -2.00463914745 1.0851969528 TCL: atom 1: phi = 1.05815023771 TCL: Center of mass = 25.9384225948 -2.00506160114 1.08466947371 TCL: atom 1: phi = 1.05806189336 TCL: Center of mass = 25.9398126134 -2.00545055125 1.08414911897 TCL: atom 1: phi = 1.05832584006 TCL: Center of mass = 25.9411613068 -2.00579403563 1.08363789726 TCL: atom 1: phi = 1.05881936128 TCL: Center of mass = 25.9424807912 -2.00610517512 1.08311772589 TCL: atom 1: phi = 1.0595354271 TCL: Center of mass = 25.9437968406 -2.00637951591 1.08259669654 TCL: atom 1: phi = 1.06031572067 TCL: Center of mass = 25.94514839 -2.00665828136 1.0820711919 TCL: atom 1: phi = 1.06121485869 TCL: Center of mass = 25.9465024028 -2.00696073694 1.08153924654 TCL: atom 1: phi = 1.06211012239 TIMING: 18600 CPU: 997.294, 0.0540018/step Wall: 1190.23, 0.0640842/step, 0.0249216 hours remaining, 13612 kB of memory in use. ENERGY: 18600 3429.8453 2498.4094 390.5042 33.9688 -44922.9404 4150.3995 0.0000 0.0000 9961.6890 -24458.1243 295.3050 -24312.2646 -24308.2919 295.2658 1667.3350 -360.3973 125000.0000 -480.5311 -479.3028 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18600 WRITING COORDINATES TO DCD FILE AT STEP 18600 WRITING COORDINATES TO RESTART FILE AT STEP 18600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 25.9478893217 -2.00730686038 1.08098448449 TCL: atom 1: phi = 1.06303489754 TCL: Center of mass = 25.9492820701 -2.00766501274 1.0804267394 TCL: atom 1: phi = 1.06387887734 TCL: Center of mass = 25.9506923135 -2.00802412422 1.07988220983 TCL: atom 1: phi = 1.06474155901 TCL: Center of mass = 25.9520802151 -2.00836638909 1.07931690628 TCL: atom 1: phi = 1.06553183562 TCL: Center of mass = 25.9534692641 -2.00867662478 1.07873285989 TCL: atom 1: phi = 1.06641456669 TCL: Center of mass = 25.9548371707 -2.0089372539 1.0781278073 TCL: atom 1: phi = 1.06714349179 TCL: Center of mass = 25.9562169651 -2.00916855142 1.07753850674 TCL: atom 1: phi = 1.06782484731 TCL: Center of mass = 25.9575886099 -2.00936423999 1.07697479937 TCL: atom 1: phi = 1.06835817054 TCL: Center of mass = 25.9589859396 -2.0095450987 1.07640986152 TCL: atom 1: phi = 1.06876397449 TCL: Center of mass = 25.9603944218 -2.00973137017 1.07585411632 TCL: atom 1: phi = 1.06897065659 TCL: Center of mass = 25.9618435878 -2.00994936266 1.07529421563 TCL: atom 1: phi = 1.0690844491 TCL: Center of mass = 25.963307989 -2.010175414 1.07475877086 TCL: atom 1: phi = 1.06905133731 TCL: Center of mass = 25.9647911995 -2.01042683381 1.07425225746 TCL: atom 1: phi = 1.06909675699 TCL: Center of mass = 25.9662721865 -2.01066978889 1.07375525878 TCL: atom 1: phi = 1.06905313604 TCL: Center of mass = 25.9677758546 -2.01088864774 1.07328014903 TCL: atom 1: phi = 1.0690892499 TCL: Center of mass = 25.9692487507 -2.01107088356 1.07283937545 TCL: atom 1: phi = 1.0691598197 TCL: Center of mass = 25.9707359233 -2.01122760429 1.07242654739 TCL: atom 1: phi = 1.06929572841 TCL: Center of mass = 25.9722047876 -2.01134563018 1.07205799857 TCL: atom 1: phi = 1.06930578151 TCL: Center of mass = 25.9736856567 -2.01145945224 1.07174834009 TCL: atom 1: phi = 1.06933815256 TCL: Center of mass = 25.9751465398 -2.01155771017 1.07149087817 TCL: atom 1: phi = 1.06925268564 TCL: Center of mass = 25.9766072295 -2.01167387107 1.07125670859 TCL: atom 1: phi = 1.06918100708 TCL: Center of mass = 25.9780370613 -2.01177388007 1.07103096038 TCL: atom 1: phi = 1.06905789177 TCL: Center of mass = 25.9794679454 -2.01186421296 1.07080612373 TCL: atom 1: phi = 1.06890991341 TCL: Center of mass = 25.9808364643 -2.01192561057 1.07058127756 TCL: atom 1: phi = 1.06872621559 TCL: Center of mass = 25.9821934606 -2.01197563499 1.07035928275 TCL: atom 1: phi = 1.0685718142 TCL: Center of mass = 25.9835301471 -2.01200254703 1.07011745804 TCL: atom 1: phi = 1.0683292905 TCL: Center of mass = 25.9848761828 -2.01202512016 1.06987817085 TCL: atom 1: phi = 1.06812465627 TCL: Center of mass = 25.9862018429 -2.01201973463 1.06965441036 TCL: atom 1: phi = 1.06785163381 TCL: Center of mass = 25.9875292219 -2.01201440253 1.06942831579 TCL: atom 1: phi = 1.06758166127 TCL: Center of mass = 25.9888324602 -2.01203282376 1.06921762387 TCL: atom 1: phi = 1.06720990531 TCL: Center of mass = 25.9901361557 -2.0120611924 1.06901804412 TCL: atom 1: phi = 1.06679909342 TCL: Center of mass = 25.9914100454 -2.01209632433 1.0687853596 TCL: atom 1: phi = 1.06631736574 TCL: Center of mass = 25.9926769957 -2.01215997641 1.06854566996 TCL: atom 1: phi = 1.06586934201 TCL: Center of mass = 25.9939318219 -2.01222980476 1.06830277679 TCL: atom 1: phi = 1.06540309043 TCL: Center of mass = 25.995191503 -2.01234221194 1.06804019852 TCL: atom 1: phi = 1.0651440025 TCL: Center of mass = 25.9964695096 -2.01248490081 1.06775720533 TCL: atom 1: phi = 1.06491287623 TCL: Center of mass = 25.9978137853 -2.01266261566 1.06747080387 TCL: atom 1: phi = 1.06487741354 TCL: Center of mass = 25.9991919049 -2.01287428294 1.06719413024 TCL: atom 1: phi = 1.06483588279 TCL: Center of mass = 26.0006117527 -2.01311690588 1.06693216388 TCL: atom 1: phi = 1.06490557264 TCL: Center of mass = 26.0020566846 -2.01336192031 1.0666978296 TCL: atom 1: phi = 1.06497744033 TCL: Center of mass = 26.0035207293 -2.01362178561 1.06649929427 TCL: atom 1: phi = 1.06515352689 TCL: Center of mass = 26.0049721317 -2.0138779634 1.06631596892 TCL: atom 1: phi = 1.06528670988 TCL: Center of mass = 26.0064229181 -2.0141048507 1.06612744473 TCL: atom 1: phi = 1.06550699555 TCL: Center of mass = 26.0078392038 -2.01428610976 1.06591864175 TCL: atom 1: phi = 1.06575086339 TCL: Center of mass = 26.0092721028 -2.01443949351 1.06568571806 TCL: atom 1: phi = 1.06611458645 TCL: Center of mass = 26.0107004919 -2.01455840631 1.06543177976 TCL: atom 1: phi = 1.06651577569 TCL: Center of mass = 26.0121686023 -2.01464711303 1.06515649368 TCL: atom 1: phi = 1.06705082029 TCL: Center of mass = 26.0136478192 -2.01470715943 1.06488211528 TCL: atom 1: phi = 1.06756192731 TCL: Center of mass = 26.0151636621 -2.0147524441 1.06459678336 TCL: atom 1: phi = 1.06814283131 TCL: Center of mass = 26.0166809501 -2.01477496256 1.06432230287 TCL: atom 1: phi = 1.06853147886 TCL: Center of mass = 26.0182077401 -2.01478547302 1.06407557009 TCL: atom 1: phi = 1.06892127142 TCL: Center of mass = 26.0196983077 -2.01476318163 1.06385322844 TCL: atom 1: phi = 1.06909354118 TCL: Center of mass = 26.0211824403 -2.01469239094 1.06362959168 TCL: atom 1: phi = 1.06923691025 TCL: Center of mass = 26.0226111307 -2.01457913466 1.06341782824 TCL: atom 1: phi = 1.06917556948 TCL: Center of mass = 26.0240228102 -2.01443305185 1.06320757219 TCL: atom 1: phi = 1.06917720259 TCL: Center of mass = 26.0254050115 -2.01428546852 1.06299263987 TCL: atom 1: phi = 1.06907501175 TCL: Center of mass = 26.0268239639 -2.01416137782 1.06277381073 TCL: atom 1: phi = 1.06907162382 TCL: Center of mass = 26.0282868087 -2.01406923571 1.06256954107 TCL: atom 1: phi = 1.06898219174 TCL: Center of mass = 26.0298416097 -2.01403165442 1.0623767486 TCL: atom 1: phi = 1.06898355853 TCL: Center of mass = 26.0314367066 -2.01401896715 1.06221430486 TCL: atom 1: phi = 1.06885242383 TCL: Center of mass = 26.0331056956 -2.01404600405 1.06207947168 TCL: atom 1: phi = 1.06872647219 TCL: Center of mass = 26.03478425 -2.01411164529 1.06199644196 TCL: atom 1: phi = 1.06844590624 TCL: Center of mass = 26.0364747191 -2.0141786443 1.06195729551 TCL: atom 1: phi = 1.068153385 TCL: Center of mass = 26.0381253969 -2.01425269386 1.06194172834 TCL: atom 1: phi = 1.06770036715 TCL: Center of mass = 26.0397512226 -2.01432153897 1.06192896992 TCL: atom 1: phi = 1.06734214957 TCL: Center of mass = 26.0413768097 -2.01439794446 1.06191971246 TCL: atom 1: phi = 1.06694808279 TCL: Center of mass = 26.0430127512 -2.01448041631 1.06189564967 TCL: atom 1: phi = 1.0667242032 TCL: Center of mass = 26.0446587718 -2.01460472162 1.06186125364 TCL: atom 1: phi = 1.06650757284 TCL: Center of mass = 26.0463583934 -2.01477220175 1.06180602674 TCL: atom 1: phi = 1.06640988313 TCL: Center of mass = 26.0480474068 -2.01496634742 1.06171922514 TCL: atom 1: phi = 1.06614517407 TCL: Center of mass = 26.0497481241 -2.01518978981 1.06158418277 TCL: atom 1: phi = 1.06587143794 TCL: Center of mass = 26.0514008532 -2.01541103916 1.06141495129 TCL: atom 1: phi = 1.06545137341 TCL: Center of mass = 26.0530373179 -2.01561974567 1.06122384579 TCL: atom 1: phi = 1.06503336905 TCL: Center of mass = 26.0546025765 -2.01581472252 1.06103372212 TCL: atom 1: phi = 1.06452437975 TCL: Center of mass = 26.0561351723 -2.01598203547 1.06083538653 TCL: atom 1: phi = 1.06417433596 TCL: Center of mass = 26.0575876852 -2.01612751885 1.06064687482 TCL: atom 1: phi = 1.06386901699 TCL: Center of mass = 26.0590065857 -2.0162631146 1.06047133327 TCL: atom 1: phi = 1.06380482842 TCL: Center of mass = 26.0603652743 -2.01641174104 1.06030016892 TCL: atom 1: phi = 1.06378265787 TCL: Center of mass = 26.0617144529 -2.01657169438 1.06013208751 TCL: atom 1: phi = 1.06391128428 TCL: Center of mass = 26.0630092371 -2.01678085577 1.05994665028 TCL: atom 1: phi = 1.0640263178 TCL: Center of mass = 26.0642935499 -2.01700756146 1.05974470083 TCL: atom 1: phi = 1.06423062899 TCL: Center of mass = 26.0655414004 -2.01725417327 1.05956705275 TCL: atom 1: phi = 1.06443898922 TCL: Center of mass = 26.0667929997 -2.01749103757 1.0594098197 TCL: atom 1: phi = 1.06479466041 TCL: Center of mass = 26.0679931885 -2.01769542773 1.05930056978 TCL: atom 1: phi = 1.06518293112 TCL: Center of mass = 26.0692163822 -2.01788335808 1.05920782097 TCL: atom 1: phi = 1.06584368918 TCL: Center of mass = 26.070422046 -2.01807090979 1.0591608864 TCL: atom 1: phi = 1.06665037448 TCL: Center of mass = 26.0716355711 -2.01825573768 1.05914470836 TCL: atom 1: phi = 1.06772944225 TCL: Center of mass = 26.0728319852 -2.01842517408 1.05915505915 TCL: atom 1: phi = 1.06881628104 TCL: Center of mass = 26.0740595481 -2.01861205668 1.05916732326 TCL: atom 1: phi = 1.06996173901 TCL: Center of mass = 26.0752909324 -2.01880021667 1.05917214769 TCL: atom 1: phi = 1.07094286381 TCL: Center of mass = 26.0765294868 -2.01899176974 1.05919396672 TCL: atom 1: phi = 1.07177875002 TCL: Center of mass = 26.0777523674 -2.01918518377 1.05921506002 TCL: atom 1: phi = 1.07229930178 TCL: Center of mass = 26.0790007212 -2.01938070683 1.05922698581 TCL: atom 1: phi = 1.07268202106 TCL: Center of mass = 26.0802460107 -2.01955870406 1.05923108219 TCL: atom 1: phi = 1.07277861123 TCL: Center of mass = 26.081511343 -2.01972708938 1.05922260856 TCL: atom 1: phi = 1.07274048253 TCL: Center of mass = 26.0827591216 -2.01988175949 1.05920991201 TCL: atom 1: phi = 1.07249243164 TCL: Center of mass = 26.084020706 -2.0200365708 1.05921190613 TCL: atom 1: phi = 1.07219694611 TCL: Center of mass = 26.0852677855 -2.02016601198 1.05921031097 TCL: atom 1: phi = 1.07175628178 TCL: Center of mass = 26.0865226687 -2.02028057512 1.05923089255 TCL: atom 1: phi = 1.07127032403 TCL: Center of mass = 26.0877271789 -2.02040384305 1.05925323558 TCL: atom 1: phi = 1.07064265811 WRITING COORDINATES TO DCD FILE AT STEP 18700 WRITING COORDINATES TO RESTART FILE AT STEP 18700 FINISHED WRITING RESTART COORDINATES TIMING: 18700 CPU: 1002.71, 0.0541318/step Wall: 1196.75, 0.0651748/step, 0.0235353 hours remaining, 13612 kB of memory in use. ENERGY: 18700 3482.9112 2551.9691 406.0484 41.5024 -44822.3707 4039.7986 0.0000 0.0000 9832.1938 -24467.9472 291.4662 -24320.7328 -24322.7013 292.2111 1680.6001 -465.5173 125000.0000 -479.5658 -476.6656 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18700 WRITING VELOCITIES TO RESTART FILE AT STEP 18700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.0889235855 -2.02053054841 1.05927131333 TCL: atom 1: phi = 1.06997052669 TCL: Center of mass = 26.0900631119 -2.02063692202 1.05928969995 TCL: atom 1: phi = 1.06907508779 TCL: Center of mass = 26.0911887669 -2.02074254441 1.05928472014 TCL: atom 1: phi = 1.06819943692 TCL: Center of mass = 26.0922995078 -2.02084475817 1.05927448993 TCL: atom 1: phi = 1.0672544312 TCL: Center of mass = 26.0934083655 -2.02093528712 1.05928019068 TCL: atom 1: phi = 1.06642929998 TCL: Center of mass = 26.0945195399 -2.0209945201 1.05931479632 TCL: atom 1: phi = 1.06578515783 TCL: Center of mass = 26.0956703329 -2.02106312405 1.05939148824 TCL: atom 1: phi = 1.06554153226 TCL: Center of mass = 26.0968241822 -2.02111561229 1.05952686331 TCL: atom 1: phi = 1.06557100509 TCL: Center of mass = 26.0980011261 -2.02116399978 1.05969334844 TCL: atom 1: phi = 1.06594248064 TCL: Center of mass = 26.0991642166 -2.02117305941 1.05991701661 TCL: atom 1: phi = 1.066479513 TCL: Center of mass = 26.1003396572 -2.02116940967 1.06012105433 TCL: atom 1: phi = 1.06717187585 TCL: Center of mass = 26.1015141092 -2.02113889147 1.0603346845 TCL: atom 1: phi = 1.06788645115 TCL: Center of mass = 26.1026875809 -2.02111261018 1.0605121466 TCL: atom 1: phi = 1.06865193951 TCL: Center of mass = 26.1038565415 -2.02107986257 1.06067313673 TCL: atom 1: phi = 1.06934945823 TCL: Center of mass = 26.1050483021 -2.02106442281 1.06083504466 TCL: atom 1: phi = 1.07012277616 TCL: Center of mass = 26.1062688733 -2.02103452556 1.06100260973 TCL: atom 1: phi = 1.07091587845 TCL: Center of mass = 26.1075474456 -2.02103318601 1.06119543377 TCL: atom 1: phi = 1.0718643785 TCL: Center of mass = 26.1088583352 -2.02103533557 1.06137919283 TCL: atom 1: phi = 1.07281580594 TCL: Center of mass = 26.1101850483 -2.02102680683 1.06154653804 TCL: atom 1: phi = 1.07392220757 TCL: Center of mass = 26.1115065796 -2.02103230738 1.06167158579 TCL: atom 1: phi = 1.07498273351 TCL: Center of mass = 26.1128148631 -2.02104091368 1.06175605016 TCL: atom 1: phi = 1.07601193013 TCL: Center of mass = 26.1140808438 -2.02104306289 1.06178443458 TCL: atom 1: phi = 1.07689122289 TCL: Center of mass = 26.1152973296 -2.02105411921 1.06178454813 TCL: atom 1: phi = 1.07770282761 TCL: Center of mass = 26.116482491 -2.02106499219 1.06173459695 TCL: atom 1: phi = 1.07836749581 TCL: Center of mass = 26.1176609849 -2.0210954542 1.06166275838 TCL: atom 1: phi = 1.07905866226 TCL: Center of mass = 26.1188541402 -2.02114892728 1.06158221455 TCL: atom 1: phi = 1.0797181118 TCL: Center of mass = 26.1200683859 -2.0212299835 1.06150744918 TCL: atom 1: phi = 1.08054896599 TCL: Center of mass = 26.12131853 -2.0213398702 1.06143647664 TCL: atom 1: phi = 1.08144797435 TCL: Center of mass = 26.1225885362 -2.0214792844 1.06137740412 TCL: atom 1: phi = 1.08245236933 TCL: Center of mass = 26.1238625894 -2.02162406242 1.06134002669 TCL: atom 1: phi = 1.08335600203 TCL: Center of mass = 26.1251123449 -2.02176635663 1.06133725387 TCL: atom 1: phi = 1.08413252069 TCL: Center of mass = 26.126364932 -2.02189623447 1.06134132958 TCL: atom 1: phi = 1.08457230063 TCL: Center of mass = 26.1276159135 -2.02200754481 1.06136183861 TCL: atom 1: phi = 1.0847842606 TCL: Center of mass = 26.1288585928 -2.02211829778 1.06137965758 TCL: atom 1: phi = 1.08467366174 TCL: Center of mass = 26.1301350811 -2.0222139612 1.06141194989 TCL: atom 1: phi = 1.08440627809 TCL: Center of mass = 26.1314632313 -2.02229527471 1.06145248101 TCL: atom 1: phi = 1.08396981988 TCL: Center of mass = 26.1328468927 -2.02238221846 1.06152099528 TCL: atom 1: phi = 1.08348810556 TCL: Center of mass = 26.1343052335 -2.02245254271 1.0616028282 TCL: atom 1: phi = 1.08289612119 TCL: Center of mass = 26.135831108 -2.02251583446 1.06169614455 TCL: atom 1: phi = 1.08234042836 TCL: Center of mass = 26.1373961133 -2.02258444548 1.06180108102 TCL: atom 1: phi = 1.08164419545 TCL: Center of mass = 26.1389804035 -2.02264101127 1.06190630492 TCL: atom 1: phi = 1.08093656404 TCL: Center of mass = 26.1405903893 -2.02265820555 1.06199117043 TCL: atom 1: phi = 1.08010474546 TCL: Center of mass = 26.1421699047 -2.02264487455 1.06206257804 TCL: atom 1: phi = 1.07927049109 TCL: Center of mass = 26.143734602 -2.02258828287 1.06211876911 TCL: atom 1: phi = 1.07829932424 TCL: Center of mass = 26.1453139158 -2.02250735107 1.0621821773 TCL: atom 1: phi = 1.07749736998 TCL: Center of mass = 26.1469147632 -2.02241853977 1.06221041874 TCL: atom 1: phi = 1.07685349803 TCL: Center of mass = 26.1485422116 -2.02233111537 1.06222487737 TCL: atom 1: phi = 1.07651790875 TCL: Center of mass = 26.1501923622 -2.02224402315 1.06220460841 TCL: atom 1: phi = 1.07645985473 TCL: Center of mass = 26.1518548847 -2.02218052993 1.06219348594 TCL: atom 1: phi = 1.07676957438 TCL: Center of mass = 26.1535387674 -2.02209872444 1.06214654284 TCL: atom 1: phi = 1.0772978787 TCL: Center of mass = 26.1552396957 -2.02200745854 1.06209095468 TCL: atom 1: phi = 1.07801568094 TCL: Center of mass = 26.1569168363 -2.02189526366 1.06199611532 TCL: atom 1: phi = 1.07874626212 TCL: Center of mass = 26.1586046023 -2.02177419663 1.06189373474 TCL: atom 1: phi = 1.07957353705 TCL: Center of mass = 26.1602823272 -2.02162171614 1.06177177098 TCL: atom 1: phi = 1.0802959156 TCL: Center of mass = 26.1619633496 -2.02143447148 1.06165501823 TCL: atom 1: phi = 1.08109864373 TCL: Center of mass = 26.1636308763 -2.02122790456 1.06153705007 TCL: atom 1: phi = 1.08189310622 TCL: Center of mass = 26.1653247441 -2.02101079395 1.06143713201 TCL: atom 1: phi = 1.08288405177 TCL: Center of mass = 26.1670400383 -2.02080429311 1.06132416811 TCL: atom 1: phi = 1.08390183185 TCL: Center of mass = 26.1687821523 -2.02062898596 1.0612110944 TCL: atom 1: phi = 1.08507225757 TCL: Center of mass = 26.1705003056 -2.02046179568 1.06106754515 TCL: atom 1: phi = 1.08618154436 TCL: Center of mass = 26.172226064 -2.02032049125 1.06089480984 TCL: atom 1: phi = 1.08733545216 TCL: Center of mass = 26.1739221385 -2.02017480751 1.06067734014 TCL: atom 1: phi = 1.08826993441 TCL: Center of mass = 26.1755973917 -2.02001090036 1.06044295156 TCL: atom 1: phi = 1.08909675925 TCL: Center of mass = 26.1772610121 -2.0198333547 1.06019506517 TCL: atom 1: phi = 1.08968557295 TCL: Center of mass = 26.1789422635 -2.0196603197 1.05995363805 TCL: atom 1: phi = 1.09028581972 TCL: Center of mass = 26.1805933144 -2.01949238484 1.05970791977 TCL: atom 1: phi = 1.09076187125 TCL: Center of mass = 26.1822491323 -2.01936237997 1.05949062437 TCL: atom 1: phi = 1.09140534494 TCL: Center of mass = 26.183884111 -2.01925764133 1.05926101843 TCL: atom 1: phi = 1.09208154921 TCL: Center of mass = 26.1855408509 -2.01920613605 1.05901364662 TCL: atom 1: phi = 1.09297769992 TCL: Center of mass = 26.1871776078 -2.01915917717 1.05874101755 TCL: atom 1: phi = 1.09387439469 TCL: Center of mass = 26.1888340865 -2.01914347314 1.05846343346 TCL: atom 1: phi = 1.09487487726 TCL: Center of mass = 26.1904660877 -2.01910846596 1.05814648515 TCL: atom 1: phi = 1.09574104882 TCL: Center of mass = 26.1921048827 -2.01907334853 1.05782628083 TCL: atom 1: phi = 1.09673205981 TCL: Center of mass = 26.193743426 -2.01903456924 1.05749511142 TCL: atom 1: phi = 1.09754768042 TCL: Center of mass = 26.195406017 -2.01900934642 1.05718064122 TCL: atom 1: phi = 1.09844466204 TCL: Center of mass = 26.197023093 -2.0189630164 1.05687861067 TCL: atom 1: phi = 1.09926208448 TCL: Center of mass = 26.1986399337 -2.0189079413 1.05659791171 TCL: atom 1: phi = 1.10034875523 TCL: Center of mass = 26.2002052825 -2.01885487882 1.05631954446 TCL: atom 1: phi = 1.101418623 TCL: Center of mass = 26.2017551171 -2.01877239006 1.05605494872 TCL: atom 1: phi = 1.1028116698 TCL: Center of mass = 26.2032480319 -2.01865327218 1.05577874111 TCL: atom 1: phi = 1.10418702609 TCL: Center of mass = 26.2047443097 -2.01851479473 1.05550406108 TCL: atom 1: phi = 1.10575301491 TCL: Center of mass = 26.2061940829 -2.01834669939 1.0552116872 TCL: atom 1: phi = 1.10711375885 TCL: Center of mass = 26.2076542336 -2.01813850063 1.05491150505 TCL: atom 1: phi = 1.10857168162 TCL: Center of mass = 26.2090860274 -2.01791127145 1.05463621104 TCL: atom 1: phi = 1.10971599329 TCL: Center of mass = 26.2105371355 -2.01764809483 1.05441168202 TCL: atom 1: phi = 1.11090270356 TCL: Center of mass = 26.2119869201 -2.01736095368 1.05419834138 TCL: atom 1: phi = 1.11175086998 TCL: Center of mass = 26.2134752617 -2.0170434825 1.05399929967 TCL: atom 1: phi = 1.1128659579 TCL: Center of mass = 26.2149551335 -2.01673011798 1.05379985263 TCL: atom 1: phi = 1.11387381758 TCL: Center of mass = 26.2164379739 -2.016406003 1.05362503837 TCL: atom 1: phi = 1.11520031347 TCL: Center of mass = 26.2179067557 -2.01609261303 1.05340417981 TCL: atom 1: phi = 1.11640446081 TCL: Center of mass = 26.2193829058 -2.01578855924 1.05316246452 TCL: atom 1: phi = 1.11781629279 TCL: Center of mass = 26.2208317414 -2.01550082297 1.05288206182 TCL: atom 1: phi = 1.11895204099 TCL: Center of mass = 26.2223141637 -2.01523192218 1.05260220678 TCL: atom 1: phi = 1.12006680161 TCL: Center of mass = 26.2237832105 -2.01500056388 1.05230322602 TCL: atom 1: phi = 1.12072874881 TCL: Center of mass = 26.2252943762 -2.01478726346 1.05201436851 TCL: atom 1: phi = 1.12125435872 TCL: Center of mass = 26.2268360279 -2.01459260887 1.05174059135 TCL: atom 1: phi = 1.12138619945 TCL: Center of mass = 26.2284186232 -2.01440238767 1.05147532622 TCL: atom 1: phi = 1.12171257671 TCL: Center of mass = 26.2300011426 -2.01421594141 1.05121043401 TCL: atom 1: phi = 1.12185612144 TCL: Center of mass = 26.2315904329 -2.01400332649 1.05095032895 TCL: atom 1: phi = 1.12229270341 TCL: Center of mass = 26.2331570133 -2.01379133629 1.0506637842 TCL: atom 1: phi = 1.12260661191 WRITING COORDINATES TO DCD FILE AT STEP 18800 WRITING COORDINATES TO RESTART FILE AT STEP 18800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18800 FINISHED WRITING RESTART VELOCITIES TIMING: 18800 CPU: 1008.11, 0.0540618/step Wall: 1203.23, 0.0648802/step, 0.0216267 hours remaining, 13612 kB of memory in use. ENERGY: 18800 3444.8458 2422.9919 408.2585 43.8006 -44694.0119 4041.1962 0.0000 0.0000 9857.3117 -24475.6071 292.2108 -24331.0304 -24322.8624 291.6955 1708.2551 -498.2046 125000.0000 -391.2629 -392.8630 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18800 TCL: Center of mass = 26.2347036193 -2.01359010252 1.05035215034 TCL: atom 1: phi = 1.12316175158 TCL: Center of mass = 26.2361782608 -2.0134096492 1.05001503231 TCL: atom 1: phi = 1.12356744449 TCL: Center of mass = 26.2376283988 -2.0132314016 1.04967503858 TCL: atom 1: phi = 1.1240941621 TCL: Center of mass = 26.2390258095 -2.0130770107 1.04934732432 TCL: atom 1: phi = 1.12430121018 TCL: Center of mass = 26.2404206837 -2.01293261604 1.04902747711 TCL: atom 1: phi = 1.12464649131 TCL: Center of mass = 26.2418107482 -2.01279344556 1.04872791252 TCL: atom 1: phi = 1.12482772351 TCL: Center of mass = 26.2432276359 -2.01264719991 1.04845255555 TCL: atom 1: phi = 1.12534120382 TCL: Center of mass = 26.2446689058 -2.01252061696 1.04820989652 TCL: atom 1: phi = 1.12586134911 TCL: Center of mass = 26.2461162502 -2.01238030438 1.04799912151 TCL: atom 1: phi = 1.12676513119 TCL: Center of mass = 26.2475497892 -2.01224590022 1.04779185649 TCL: atom 1: phi = 1.12767285274 TCL: Center of mass = 26.2489554618 -2.01210246768 1.04760869705 TCL: atom 1: phi = 1.12890446868 TCL: Center of mass = 26.2503143326 -2.01196060413 1.04742611343 TCL: atom 1: phi = 1.12989242584 TCL: Center of mass = 26.251642001 -2.01182751651 1.04725390557 TCL: atom 1: phi = 1.13090265684 TCL: Center of mass = 26.2529383887 -2.01172177033 1.04711196166 TCL: atom 1: phi = 1.13150059057 TCL: Center of mass = 26.2542633118 -2.01163460237 1.04701791354 TCL: atom 1: phi = 1.13197863618 TCL: Center of mass = 26.2556293755 -2.01159325443 1.04692849841 TCL: atom 1: phi = 1.13199620947 TCL: Center of mass = 26.2570608891 -2.01157525374 1.04683364691 TCL: atom 1: phi = 1.13202990196 TCL: Center of mass = 26.2585569786 -2.01160167554 1.04674044824 TCL: atom 1: phi = 1.13180775743 TCL: Center of mass = 26.2601115628 -2.01164196803 1.04666894002 TCL: atom 1: phi = 1.13172481831 TCL: Center of mass = 26.2616952834 -2.01168309056 1.04657719199 TCL: atom 1: phi = 1.13143145552 TCL: Center of mass = 26.2632863236 -2.01169874973 1.04649108083 TCL: atom 1: phi = 1.1312844632 TCL: Center of mass = 26.2648634758 -2.01169829232 1.0463904272 TCL: atom 1: phi = 1.13085799796 TCL: Center of mass = 26.2664270382 -2.01167457143 1.04630882674 TCL: atom 1: phi = 1.13044103314 TCL: Center of mass = 26.267964295 -2.01164992477 1.04622986071 TCL: atom 1: phi = 1.12981413216 TCL: Center of mass = 26.2695050072 -2.01161722382 1.04613845185 TCL: atom 1: phi = 1.12923953207 TCL: Center of mass = 26.27104344 -2.01155782399 1.04602188782 TCL: atom 1: phi = 1.12847125984 TCL: Center of mass = 26.2726069883 -2.01149290171 1.04589644469 TCL: atom 1: phi = 1.12794256204 TCL: Center of mass = 26.2741773613 -2.01140567488 1.04571418587 TCL: atom 1: phi = 1.12741334516 TCL: Center of mass = 26.2757786453 -2.01129787936 1.04553045223 TCL: atom 1: phi = 1.12730822744 TCL: Center of mass = 26.2774099615 -2.01113693642 1.04531169811 TCL: atom 1: phi = 1.12729880817 TCL: Center of mass = 26.2790642559 -2.01095176082 1.04507470006 TCL: atom 1: phi = 1.12759667559 TCL: Center of mass = 26.2807227151 -2.0107620948 1.04481075067 TCL: atom 1: phi = 1.12785696419 TCL: Center of mass = 26.282392501 -2.0105687553 1.04454827246 TCL: atom 1: phi = 1.12826649305 TCL: Center of mass = 26.284051546 -2.01038046055 1.04426767413 TCL: atom 1: phi = 1.12850871279 TCL: Center of mass = 26.2856812523 -2.01021407206 1.04398342256 TCL: atom 1: phi = 1.12877001237 TCL: Center of mass = 26.2872889161 -2.01008101096 1.04370566821 TCL: atom 1: phi = 1.12880639402 TCL: Center of mass = 26.288909517 -2.00998558149 1.0434418221 TCL: atom 1: phi = 1.12892452029 TCL: Center of mass = 26.2905002215 -2.00988929481 1.04316760105 TCL: atom 1: phi = 1.12888136403 TCL: Center of mass = 26.2920956922 -2.00980514402 1.04290905049 TCL: atom 1: phi = 1.12906747585 TCL: Center of mass = 26.2936943189 -2.00973878907 1.04264040025 TCL: atom 1: phi = 1.12917520056 TCL: Center of mass = 26.2952938386 -2.00968255364 1.04235970255 TCL: atom 1: phi = 1.12946902539 TCL: Center of mass = 26.2968856567 -2.00964022786 1.04207616392 TCL: atom 1: phi = 1.12964842697 TCL: Center of mass = 26.2984912194 -2.00959535287 1.04182189631 TCL: atom 1: phi = 1.12996812562 TCL: Center of mass = 26.3000694293 -2.00956774194 1.04156967826 TCL: atom 1: phi = 1.13015086472 TCL: Center of mass = 26.3016544451 -2.00955549127 1.04135874223 TCL: atom 1: phi = 1.13054497548 TCL: Center of mass = 26.3032221448 -2.00955956738 1.04117419943 TCL: atom 1: phi = 1.13086371803 TCL: Center of mass = 26.3047967916 -2.00958359328 1.04104392149 TCL: atom 1: phi = 1.13141362806 TCL: Center of mass = 26.3063782494 -2.0096137406 1.04090322764 TCL: atom 1: phi = 1.13196976256 TCL: Center of mass = 26.3079890332 -2.00964825859 1.04077153686 TCL: atom 1: phi = 1.13291552665 TCL: Center of mass = 26.3096018048 -2.00966762729 1.0406223749 TCL: atom 1: phi = 1.13383099022 TCL: Center of mass = 26.3112472978 -2.00968612283 1.04047675855 TCL: atom 1: phi = 1.13506993605 TCL: Center of mass = 26.3129159807 -2.00968746776 1.04029184384 TCL: atom 1: phi = 1.13620092611 TCL: Center of mass = 26.3146028644 -2.00968054895 1.04009931549 TCL: atom 1: phi = 1.13746118194 TCL: Center of mass = 26.3163161425 -2.009663307 1.03989270302 TCL: atom 1: phi = 1.13838674118 TCL: Center of mass = 26.3180875763 -2.00964966192 1.03970648568 TCL: atom 1: phi = 1.13933186389 TCL: Center of mass = 26.3198762925 -2.00963249703 1.03948911901 TCL: atom 1: phi = 1.13989235623 TCL: Center of mass = 26.3216731064 -2.00962069594 1.03928036033 TCL: atom 1: phi = 1.14052800786 TCL: Center of mass = 26.3234626238 -2.00960538241 1.03904377864 TCL: atom 1: phi = 1.14077866131 TCL: Center of mass = 26.3252603651 -2.00956373542 1.03878641066 TCL: atom 1: phi = 1.14109373282 TCL: Center of mass = 26.3270414229 -2.00949861514 1.03849676241 TCL: atom 1: phi = 1.14118098558 TCL: Center of mass = 26.328834452 -2.00942442283 1.03818777225 TCL: atom 1: phi = 1.14140980269 TCL: Center of mass = 26.3306367357 -2.00935886728 1.0378327129 TCL: atom 1: phi = 1.14134124591 TCL: Center of mass = 26.3324451575 -2.00929350035 1.0374690843 TCL: atom 1: phi = 1.14143755871 TCL: Center of mass = 26.3342712125 -2.00923474171 1.03708026017 TCL: atom 1: phi = 1.1412590282 TCL: Center of mass = 26.3361310403 -2.00920858635 1.03668818562 TCL: atom 1: phi = 1.14123242304 TCL: Center of mass = 26.3380034136 -2.00920645362 1.0362810614 TCL: atom 1: phi = 1.14101155668 TCL: Center of mass = 26.3398697796 -2.00920414555 1.03590265068 TCL: atom 1: phi = 1.14098416845 TCL: Center of mass = 26.3417119 -2.00920229377 1.03551182795 TCL: atom 1: phi = 1.14089633382 TCL: Center of mass = 26.3435425323 -2.00918428968 1.03510847699 TCL: atom 1: phi = 1.14118081609 TCL: Center of mass = 26.3453328287 -2.00916643819 1.03470158861 TCL: atom 1: phi = 1.14150740133 TCL: Center of mass = 26.3470900965 -2.00913841984 1.03429361434 TCL: atom 1: phi = 1.14221137282 TCL: Center of mass = 26.3488258333 -2.00911665562 1.03388573173 TCL: atom 1: phi = 1.14289222891 TCL: Center of mass = 26.3505910151 -2.00911594209 1.03349872014 TCL: atom 1: phi = 1.14377958163 TCL: Center of mass = 26.3523651717 -2.00912515708 1.03311636141 TCL: atom 1: phi = 1.14436437198 TCL: Center of mass = 26.3541658371 -2.00914716459 1.03275484157 TCL: atom 1: phi = 1.1450016835 TCL: Center of mass = 26.3559820706 -2.00916359692 1.03241869114 TCL: atom 1: phi = 1.14521022657 TCL: Center of mass = 26.3578281431 -2.00915242217 1.03211868987 TCL: atom 1: phi = 1.14541045305 TCL: Center of mass = 26.3596767121 -2.0091276917 1.03183743963 TCL: atom 1: phi = 1.1453081511 TCL: Center of mass = 26.3615356533 -2.00905564 1.03157408066 TCL: atom 1: phi = 1.14533718066 TCL: Center of mass = 26.363360264 -2.00892987603 1.0313220152 TCL: atom 1: phi = 1.14517495992 TCL: Center of mass = 26.3651569769 -2.00875859008 1.03105442654 TCL: atom 1: phi = 1.14513653563 TCL: Center of mass = 26.3669155307 -2.00854964745 1.03079715168 TCL: atom 1: phi = 1.14490455225 TCL: Center of mass = 26.3686960505 -2.00831777659 1.03056397982 TCL: atom 1: phi = 1.14464565079 TCL: Center of mass = 26.3704920207 -2.00807315033 1.03035736094 TCL: atom 1: phi = 1.14410145825 TCL: Center of mass = 26.3723377832 -2.00780917803 1.03018301914 TCL: atom 1: phi = 1.14335985784 TCL: Center of mass = 26.3742128451 -2.00755274956 1.03001361151 TCL: atom 1: phi = 1.14231277453 TCL: Center of mass = 26.3761349151 -2.00729681475 1.02986418018 TCL: atom 1: phi = 1.14122699486 TCL: Center of mass = 26.3780625341 -2.00702172217 1.02974203765 TCL: atom 1: phi = 1.14004471783 TCL: Center of mass = 26.380013059 -2.00671157736 1.02961183637 TCL: atom 1: phi = 1.13901828646 TCL: Center of mass = 26.3819723553 -2.00638419615 1.02947262571 TCL: atom 1: phi = 1.13813450087 TCL: Center of mass = 26.3839284313 -2.00603183551 1.02930896183 TCL: atom 1: phi = 1.13752208022 TCL: Center of mass = 26.3858731209 -2.00567922817 1.02912640391 TCL: atom 1: phi = 1.13706746182 TCL: Center of mass = 26.3878157794 -2.00531671984 1.0289341989 TCL: atom 1: phi = 1.1367967049 TCL: Center of mass = 26.38973658 -2.00498200937 1.02874093764 TCL: atom 1: phi = 1.13646084114 TCL: Center of mass = 26.391668619 -2.00465135124 1.02855277151 TCL: atom 1: phi = 1.13614071955 TCL: Center of mass = 26.3936330802 -2.00434546714 1.02839707423 TCL: atom 1: phi = 1.1356857194 TCL: Center of mass = 26.3956185611 -2.00406654087 1.02827381037 TCL: atom 1: phi = 1.13524259863 TCL: Center of mass = 26.3976118929 -2.00378756118 1.02814640524 TCL: atom 1: phi = 1.13463434354 TCL: Center of mass = 26.3996412951 -2.00350965707 1.02802444056 TCL: atom 1: phi = 1.13412098937 TCL: Center of mass = 26.4016580378 -2.00323930477 1.02790051606 TCL: atom 1: phi = 1.13361392048 TIMING: 18900 CPU: 1013.5, 0.0539018/step Wall: 1209.63, 0.0639047/step, 0.0195264 hours remaining, 13612 kB of memory in use. ENERGY: 18900 3462.7145 2483.1202 390.1412 40.1279 -44823.5508 4110.4862 0.0000 0.0000 9832.1711 -24504.7897 291.4656 -24358.8512 -24354.9004 291.2554 2573.5555 -86.8754 125000.0000 -495.4539 -499.1707 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18900 WRITING COORDINATES TO DCD FILE AT STEP 18900 WRITING COORDINATES TO RESTART FILE AT STEP 18900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.4036433748 -2.00295166934 1.02776752451 TCL: atom 1: phi = 1.13331752171 TCL: Center of mass = 26.4056123972 -2.00267211869 1.02762407383 TCL: atom 1: phi = 1.13310362014 TCL: Center of mass = 26.4075488792 -2.00238457003 1.02751974147 TCL: atom 1: phi = 1.13304603845 TCL: Center of mass = 26.4094314588 -2.00211634805 1.02744448539 TCL: atom 1: phi = 1.13303754196 TCL: Center of mass = 26.4112926029 -2.00187227994 1.02743101652 TCL: atom 1: phi = 1.1331245924 TCL: Center of mass = 26.4131449819 -2.0016931423 1.0274529123 TCL: atom 1: phi = 1.13318851318 TCL: Center of mass = 26.4150225829 -2.00155378365 1.02750108619 TCL: atom 1: phi = 1.13340521381 TCL: Center of mass = 26.4169165668 -2.00143780904 1.02756940339 TCL: atom 1: phi = 1.13375665543 TCL: Center of mass = 26.4188396613 -2.00136065173 1.02768448563 TCL: atom 1: phi = 1.13436923893 TCL: Center of mass = 26.4207676458 -2.0013016618 1.02780744218 TCL: atom 1: phi = 1.13507668401 TCL: Center of mass = 26.4226963983 -2.00123538041 1.02793348683 TCL: atom 1: phi = 1.13609926554 TCL: Center of mass = 26.4245809802 -2.00120670979 1.02803697054 TCL: atom 1: phi = 1.13718760378 TCL: Center of mass = 26.4264486927 -2.00119650052 1.0281347298 TCL: atom 1: phi = 1.13840804743 TCL: Center of mass = 26.4282790162 -2.00122506526 1.02822361883 TCL: atom 1: phi = 1.13954009553 TCL: Center of mass = 26.4300872682 -2.00129688628 1.02832450358 TCL: atom 1: phi = 1.14060353895 TCL: Center of mass = 26.4318789854 -2.00139757965 1.02843711209 TCL: atom 1: phi = 1.14145028174 TCL: Center of mass = 26.4336816005 -2.00151540724 1.02857300568 TCL: atom 1: phi = 1.14220280846 TCL: Center of mass = 26.435495083 -2.00167844753 1.02869762488 TCL: atom 1: phi = 1.14276034775 TCL: Center of mass = 26.4373049429 -2.00188113591 1.02882204966 TCL: atom 1: phi = 1.14334050665 TCL: Center of mass = 26.4391288549 -2.00211849194 1.02891970085 TCL: atom 1: phi = 1.14373828062 TCL: Center of mass = 26.4409636104 -2.00235951679 1.02898388794 TCL: atom 1: phi = 1.14420443677 TCL: Center of mass = 26.4428079604 -2.00260293171 1.02900502703 TCL: atom 1: phi = 1.14462326258 TCL: Center of mass = 26.4446751824 -2.00283408091 1.02901236764 TCL: atom 1: phi = 1.14513177991 TCL: Center of mass = 26.446540577 -2.00305210155 1.02900041585 TCL: atom 1: phi = 1.14553565871 TCL: Center of mass = 26.4484054528 -2.00326311431 1.0289948381 TCL: atom 1: phi = 1.14594144109 TCL: Center of mass = 26.4502806173 -2.0034748607 1.02900602863 TCL: atom 1: phi = 1.14620825002 TCL: Center of mass = 26.4521605468 -2.00368741316 1.02903852412 TCL: atom 1: phi = 1.14647389203 TCL: Center of mass = 26.4540601718 -2.00389924312 1.02909076124 TCL: atom 1: phi = 1.14659859436 TCL: Center of mass = 26.4559967544 -2.00411210234 1.02915432657 TCL: atom 1: phi = 1.14684043278 TCL: Center of mass = 26.4579513112 -2.00432308175 1.0292084739 TCL: atom 1: phi = 1.1470126845 TCL: Center of mass = 26.459942884 -2.00452789841 1.02924420069 TCL: atom 1: phi = 1.14736393831 TCL: Center of mass = 26.4619715778 -2.00470752959 1.0292575154 TCL: atom 1: phi = 1.14775234388 TCL: Center of mass = 26.4640447638 -2.00486896384 1.02926293517 TCL: atom 1: phi = 1.1483409421 TCL: Center of mass = 26.4661267774 -2.00500608542 1.0292493474 TCL: atom 1: phi = 1.14886057118 TCL: Center of mass = 26.4682419008 -2.00515273302 1.02923161794 TCL: atom 1: phi = 1.14945301866 TCL: Center of mass = 26.4703349156 -2.00529411458 1.02923409854 TCL: atom 1: phi = 1.14989568604 TCL: Center of mass = 26.472421124 -2.00544006802 1.02925238952 TCL: atom 1: phi = 1.15031525804 TCL: Center of mass = 26.4744485872 -2.00559322952 1.0292634654 TCL: atom 1: phi = 1.15054016088 TCL: Center of mass = 26.4764535415 -2.00577379022 1.02928923122 TCL: atom 1: phi = 1.15072037844 TCL: Center of mass = 26.4784203014 -2.00597297061 1.02924520008 TCL: atom 1: phi = 1.15080563566 TCL: Center of mass = 26.4803777172 -2.00619942968 1.02918621011 TCL: atom 1: phi = 1.15102143169 TCL: Center of mass = 26.4823038682 -2.00645611577 1.02905521893 TCL: atom 1: phi = 1.15124706316 TCL: Center of mass = 26.484230169 -2.00674625411 1.0288948981 TCL: atom 1: phi = 1.15167580413 TCL: Center of mass = 26.4861206694 -2.00706660677 1.02868627733 TCL: atom 1: phi = 1.15218549858 TCL: Center of mass = 26.4880183403 -2.00740020958 1.0284632476 TCL: atom 1: phi = 1.15293544222 TCL: Center of mass = 26.4899147299 -2.00775138826 1.02822188324 TCL: atom 1: phi = 1.15369175191 TCL: Center of mass = 26.491795127 -2.00811896174 1.02796362911 TCL: atom 1: phi = 1.15453985088 TCL: Center of mass = 26.4936320776 -2.00849158264 1.02769391876 TCL: atom 1: phi = 1.15530717229 TCL: Center of mass = 26.4954753949 -2.00887145202 1.0274041889 TCL: atom 1: phi = 1.15625127898 TCL: Center of mass = 26.4972792081 -2.00926852196 1.02708841514 TCL: atom 1: phi = 1.15721560257 TCL: Center of mass = 26.4991088951 -2.00967744648 1.02674373904 TCL: atom 1: phi = 1.15839837257 TCL: Center of mass = 26.5009453271 -2.01009730934 1.02637279729 TCL: atom 1: phi = 1.15976052277 TCL: Center of mass = 26.5028274188 -2.01051464273 1.02599571525 TCL: atom 1: phi = 1.16130511998 TCL: Center of mass = 26.504755511 -2.010945479 1.02562229813 TCL: atom 1: phi = 1.16287354561 TCL: Center of mass = 26.5067569289 -2.01139323458 1.02524561676 TCL: atom 1: phi = 1.16446451825 TCL: Center of mass = 26.5087945115 -2.01184101164 1.02487706639 TCL: atom 1: phi = 1.16596242479 TCL: Center of mass = 26.5108794364 -2.01227041874 1.02450678305 TCL: atom 1: phi = 1.16734093979 TCL: Center of mass = 26.5129595823 -2.01265738403 1.02413378243 TCL: atom 1: phi = 1.16848511713 TCL: Center of mass = 26.5150223565 -2.01302952266 1.02376497877 TCL: atom 1: phi = 1.16948539025 TCL: Center of mass = 26.5170376088 -2.01335722313 1.02338805423 TCL: atom 1: phi = 1.17036528189 TCL: Center of mass = 26.5190211 -2.01367555794 1.02302972956 TCL: atom 1: phi = 1.17113093454 TCL: Center of mass = 26.5209613439 -2.0139731529 1.02266714973 TCL: atom 1: phi = 1.17177540752 TCL: Center of mass = 26.5228925056 -2.01426196335 1.02230309163 TCL: atom 1: phi = 1.1723138097 TCL: Center of mass = 26.5247989365 -2.01453548174 1.02195382254 TCL: atom 1: phi = 1.1726914668 TCL: Center of mass = 26.526726765 -2.01479864799 1.02161425951 TCL: atom 1: phi = 1.17299487503 TCL: Center of mass = 26.5286437956 -2.01503497973 1.02127331847 TCL: atom 1: phi = 1.1730591252 TCL: Center of mass = 26.5305789927 -2.0152513053 1.02093669865 TCL: atom 1: phi = 1.17294294442 TCL: Center of mass = 26.5324783207 -2.01541279501 1.0205944635 TCL: atom 1: phi = 1.17266885329 TCL: Center of mass = 26.534356478 -2.01553985914 1.02024036463 TCL: atom 1: phi = 1.17232229825 TCL: Center of mass = 26.5361762444 -2.01564665319 1.01985213262 TCL: atom 1: phi = 1.1718826953 TCL: Center of mass = 26.5379570407 -2.01575236547 1.01947493407 TCL: atom 1: phi = 1.17158271588 TCL: Center of mass = 26.5396680257 -2.01585170475 1.01908073608 TCL: atom 1: phi = 1.17133941311 TCL: Center of mass = 26.5413671388 -2.01595871874 1.01870326977 TCL: atom 1: phi = 1.17123172138 TCL: Center of mass = 26.543052625 -2.01606798647 1.01835866177 TCL: atom 1: phi = 1.17120573347 TCL: Center of mass = 26.544758686 -2.01620928279 1.01803465858 TCL: atom 1: phi = 1.17125096099 TCL: Center of mass = 26.5464654296 -2.0163890367 1.01771357555 TCL: atom 1: phi = 1.17126369919 TCL: Center of mass = 26.5482160295 -2.01660855489 1.01738075205 TCL: atom 1: phi = 1.17130734434 TCL: Center of mass = 26.5499612173 -2.01683033912 1.01702848249 TCL: atom 1: phi = 1.17125570315 TCL: Center of mass = 26.5517165767 -2.01703537012 1.01667684688 TCL: atom 1: phi = 1.17127302553 TCL: Center of mass = 26.5534543379 -2.01724097687 1.01628219545 TCL: atom 1: phi = 1.17121654092 TCL: Center of mass = 26.5551849054 -2.01744098521 1.01589944818 TCL: atom 1: phi = 1.17119666182 TCL: Center of mass = 26.5568811231 -2.01761914031 1.01553639626 TCL: atom 1: phi = 1.17114361603 TCL: Center of mass = 26.5585874145 -2.01778092341 1.01521113333 TCL: atom 1: phi = 1.17125858477 TCL: Center of mass = 26.5602824939 -2.01793958692 1.01491730921 TCL: atom 1: phi = 1.17139597654 TCL: Center of mass = 26.5620044288 -2.01810852186 1.0146724482 TCL: atom 1: phi = 1.17162263732 TCL: Center of mass = 26.5637452468 -2.01828291192 1.0144615502 TCL: atom 1: phi = 1.17176163985 TCL: Center of mass = 26.5655024154 -2.01843515224 1.01425453072 TCL: atom 1: phi = 1.17186452863 TCL: Center of mass = 26.5672756688 -2.0185860505 1.01402833219 TCL: atom 1: phi = 1.17187310723 TCL: Center of mass = 26.5690796258 -2.01871806976 1.01378044067 TCL: atom 1: phi = 1.17194474185 TCL: Center of mass = 26.5708676198 -2.0188265726 1.01351051354 TCL: atom 1: phi = 1.17201672466 TCL: Center of mass = 26.5726564149 -2.01889346449 1.01319494014 TCL: atom 1: phi = 1.17227674756 TCL: Center of mass = 26.5744371173 -2.01891592289 1.01286404136 TCL: atom 1: phi = 1.1726185495 TCL: Center of mass = 26.576195143 -2.01891087741 1.01254503649 TCL: atom 1: phi = 1.17318163265 TCL: Center of mass = 26.5779311502 -2.01890251247 1.01223702471 TCL: atom 1: phi = 1.17381288268 TCL: Center of mass = 26.5796590214 -2.01887516079 1.01194207915 TCL: atom 1: phi = 1.17465498397 TCL: Center of mass = 26.5814065553 -2.01885035005 1.01165994738 TCL: atom 1: phi = 1.17536761385 TCL: Center of mass = 26.5831715791 -2.01881059654 1.0114239496 TCL: atom 1: phi = 1.17604927886 TCL: Center of mass = 26.5849332949 -2.01877894334 1.01119555402 TCL: atom 1: phi = 1.17643539239 TCL: Center of mass = 26.5867038876 -2.01876408953 1.01096706554 TCL: atom 1: phi = 1.17671333029 TCL: Center of mass = 26.5884495371 -2.01875098184 1.01071330491 TCL: atom 1: phi = 1.17674073837 WRITING COORDINATES TO DCD FILE AT STEP 19000 WRITING COORDINATES TO RESTART FILE AT STEP 19000 FINISHED WRITING RESTART COORDINATES TIMING: 19000 CPU: 1018.91, 0.0540418/step Wall: 1216.14, 0.0651719/step, 0.0181033 hours remaining, 13612 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 19000 3525.6970 2498.1495 396.5145 44.3048 -44870.1366 4084.5424 0.0000 0.0000 9894.8440 -24426.0844 293.3234 -24279.5878 -24278.2664 292.2790 1960.5839 -264.7237 125000.0000 -365.6433 -359.2572 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19000 WRITING VELOCITIES TO RESTART FILE AT STEP 19000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.5901799681 -2.01871830082 1.01046219408 TCL: atom 1: phi = 1.17673049421 TCL: Center of mass = 26.5918403839 -2.01867640573 1.01020953205 TCL: atom 1: phi = 1.1764796414 TCL: Center of mass = 26.5934654315 -2.01861464342 1.0099731402 TCL: atom 1: phi = 1.17615421297 TCL: Center of mass = 26.5950356895 -2.01853418369 1.00974678145 TCL: atom 1: phi = 1.17562754061 TCL: Center of mass = 26.5965653175 -2.01844433522 1.00955508747 TCL: atom 1: phi = 1.17507681707 TCL: Center of mass = 26.598051691 -2.01837793955 1.00940620286 TCL: atom 1: phi = 1.1743378969 TCL: Center of mass = 26.5995249769 -2.01832579744 1.00928730468 TCL: atom 1: phi = 1.17357929168 TCL: Center of mass = 26.6009716254 -2.01828750451 1.00920117799 TCL: atom 1: phi = 1.17262692736 TCL: Center of mass = 26.6024040747 -2.01824686174 1.00912866692 TCL: atom 1: phi = 1.17169449528 TCL: Center of mass = 26.6038186855 -2.01825373752 1.00904320446 TCL: atom 1: phi = 1.17074043991 TCL: Center of mass = 26.6052471712 -2.01827204988 1.00894618191 TCL: atom 1: phi = 1.16996419052 TCL: Center of mass = 26.6066670515 -2.01830215539 1.00881874561 TCL: atom 1: phi = 1.16928808781 TCL: Center of mass = 26.6080768849 -2.01832777232 1.00866825096 TCL: atom 1: phi = 1.16899039888 TCL: Center of mass = 26.6094714566 -2.01835383937 1.00849530014 TCL: atom 1: phi = 1.16882762424 TCL: Center of mass = 26.6108406343 -2.01835394173 1.00831543594 TCL: atom 1: phi = 1.16896416449 TCL: Center of mass = 26.6121981886 -2.01833525925 1.00812379298 TCL: atom 1: phi = 1.16916172663 TCL: Center of mass = 26.613535785 -2.0183184193 1.0079605025 TCL: atom 1: phi = 1.16955599389 TCL: Center of mass = 26.6148546581 -2.01831192857 1.00778887224 TCL: atom 1: phi = 1.16992808016 TCL: Center of mass = 26.6161701308 -2.01829680791 1.00760829108 TCL: atom 1: phi = 1.17038491259 TCL: Center of mass = 26.617483554 -2.01830393329 1.00737761589 TCL: atom 1: phi = 1.17078365257 TCL: Center of mass = 26.6188246934 -2.01832043757 1.00713708493 TCL: atom 1: phi = 1.17126218005 TCL: Center of mass = 26.6201876277 -2.01831447184 1.00686744743 TCL: atom 1: phi = 1.17164827577 TCL: Center of mass = 26.6215801127 -2.01833735497 1.00657032031 TCL: atom 1: phi = 1.17205055454 TCL: Center of mass = 26.622975055 -2.01838136083 1.00624678733 TCL: atom 1: phi = 1.17233536656 TCL: Center of mass = 26.6243903531 -2.01843503799 1.00592010596 TCL: atom 1: phi = 1.17275873703 TCL: Center of mass = 26.6257751982 -2.01848550314 1.00560759247 TCL: atom 1: phi = 1.17307912522 TCL: Center of mass = 26.6271515212 -2.01853673406 1.00529886809 TCL: atom 1: phi = 1.1733827286 TCL: Center of mass = 26.6284829318 -2.01858932513 1.0049828296 TCL: atom 1: phi = 1.17356171706 TCL: Center of mass = 26.6298011464 -2.01863834397 1.00469074955 TCL: atom 1: phi = 1.17373049021 TCL: Center of mass = 26.6310977866 -2.0186892559 1.00439866051 TCL: atom 1: phi = 1.17368716417 TCL: Center of mass = 26.6324142634 -2.01874692823 1.00413214994 TCL: atom 1: phi = 1.17378230429 TCL: Center of mass = 26.6337535701 -2.01881839749 1.00387865183 TCL: atom 1: phi = 1.17381436602 TCL: Center of mass = 26.6351225135 -2.01890155919 1.00364615917 TCL: atom 1: phi = 1.17401098882 TCL: Center of mass = 26.6364959891 -2.0189656383 1.00341416888 TCL: atom 1: phi = 1.17429513525 TCL: Center of mass = 26.6379042302 -2.01901308548 1.00319526382 TCL: atom 1: phi = 1.17482205867 TCL: Center of mass = 26.6392923336 -2.01905058587 1.00297125525 TCL: atom 1: phi = 1.17542689369 TCL: Center of mass = 26.6406537746 -2.01908181161 1.002765015 TCL: atom 1: phi = 1.17622651956 TCL: Center of mass = 26.6419742029 -2.01909004013 1.00254728291 TCL: atom 1: phi = 1.17704025941 TCL: Center of mass = 26.6432413858 -2.01907407317 1.00235274928 TCL: atom 1: phi = 1.17802814548 TCL: Center of mass = 26.6444679255 -2.01906449964 1.0021547809 TCL: atom 1: phi = 1.17886081389 TCL: Center of mass = 26.6456719308 -2.01903439993 1.00197670991 TCL: atom 1: phi = 1.17982330391 TCL: Center of mass = 26.6468824806 -2.01902049492 1.00178133011 TCL: atom 1: phi = 1.18067866086 TCL: Center of mass = 26.6481074279 -2.01902140223 1.00161249504 TCL: atom 1: phi = 1.18165795644 TCL: Center of mass = 26.6493526842 -2.01905418404 1.00144880412 TCL: atom 1: phi = 1.18252924755 TCL: Center of mass = 26.6506321407 -2.01909704874 1.00129574161 TCL: atom 1: phi = 1.18351257592 TCL: Center of mass = 26.6519187001 -2.01915786385 1.00113447889 TCL: atom 1: phi = 1.18431169224 TCL: Center of mass = 26.6532216938 -2.01921736821 1.0009922342 TCL: atom 1: phi = 1.18514686812 TCL: Center of mass = 26.6544972605 -2.01930253371 1.0008440925 TCL: atom 1: phi = 1.18574261974 TCL: Center of mass = 26.6557618805 -2.01938017491 1.00072164247 TCL: atom 1: phi = 1.18631650468 TCL: Center of mass = 26.656973274 -2.0194560958 1.00060381922 TCL: atom 1: phi = 1.18659178669 TCL: Center of mass = 26.6581755118 -2.01953358882 1.0005111323 TCL: atom 1: phi = 1.18684708485 TCL: Center of mass = 26.6593471875 -2.01964084673 1.00043898994 TCL: atom 1: phi = 1.1869661567 TCL: Center of mass = 26.6605594955 -2.01975826325 1.00038112968 TCL: atom 1: phi = 1.18716661495 TCL: Center of mass = 26.6618021401 -2.0198969147 1.00033570745 TCL: atom 1: phi = 1.18735863408 TCL: Center of mass = 26.6630978822 -2.020036138 1.00028994393 TCL: atom 1: phi = 1.18766078294 TCL: Center of mass = 26.664410313 -2.02018081379 1.00021537831 TCL: atom 1: phi = 1.18790121695 TCL: Center of mass = 26.6657434213 -2.0203106111 1.00012662615 TCL: atom 1: phi = 1.18817175801 TCL: Center of mass = 26.6670569961 -2.02039962585 1.00000506177 TCL: atom 1: phi = 1.18826931024 TCL: Center of mass = 26.66834672 -2.02043320721 0.999861230777 TCL: atom 1: phi = 1.18837688705 TCL: Center of mass = 26.6696036737 -2.02042467442 0.999675406769 TCL: atom 1: phi = 1.18833301364 TCL: Center of mass = 26.6708367602 -2.02038557315 0.99948598805 TCL: atom 1: phi = 1.18827084228 TCL: Center of mass = 26.6720519108 -2.02031146472 0.999277302271 TCL: atom 1: phi = 1.18804574296 TCL: Center of mass = 26.6733159732 -2.02021255496 0.999082378363 TCL: atom 1: phi = 1.18785529031 TCL: Center of mass = 26.6745924129 -2.02013005964 0.998881969849 TCL: atom 1: phi = 1.18746822912 TCL: Center of mass = 26.6759189543 -2.02005160006 0.998724493695 TCL: atom 1: phi = 1.18706169044 TCL: Center of mass = 26.6772973333 -2.01999759203 0.998587599515 TCL: atom 1: phi = 1.18645217394 TCL: Center of mass = 26.6786982315 -2.01995375797 0.998444189892 TCL: atom 1: phi = 1.18586417158 TCL: Center of mass = 26.6801061689 -2.01988944332 0.998287646877 TCL: atom 1: phi = 1.18506200133 TCL: Center of mass = 26.6814928353 -2.01978442941 0.998142781392 TCL: atom 1: phi = 1.18416444534 TCL: Center of mass = 26.6828682127 -2.01964961676 0.997973288379 TCL: atom 1: phi = 1.18304568054 TCL: Center of mass = 26.684227003 -2.01948518262 0.997813787986 TCL: atom 1: phi = 1.1819450935 TCL: Center of mass = 26.6855809125 -2.01934184546 0.997650975265 TCL: atom 1: phi = 1.1807956905 TCL: Center of mass = 26.6869365179 -2.01919854827 0.997507489277 TCL: atom 1: phi = 1.17980743383 TCL: Center of mass = 26.6882918399 -2.01908430912 0.997383494861 TCL: atom 1: phi = 1.17887715206 TCL: Center of mass = 26.6896663019 -2.01899227137 0.997295993605 TCL: atom 1: phi = 1.1782566035 TCL: Center of mass = 26.6910440465 -2.01894361332 0.997218093782 TCL: atom 1: phi = 1.17778873977 TCL: Center of mass = 26.6924342099 -2.01891611701 0.997155357649 TCL: atom 1: phi = 1.17761102066 TCL: Center of mass = 26.6938135578 -2.01891477221 0.997044564689 TCL: atom 1: phi = 1.17756087496 TCL: Center of mass = 26.6951968765 -2.01891761987 0.996904968653 TCL: atom 1: phi = 1.17766017042 TCL: Center of mass = 26.6965418108 -2.01893429433 0.99669589269 TCL: atom 1: phi = 1.17780063735 TCL: Center of mass = 26.6978626345 -2.01896324225 0.996464039291 TCL: atom 1: phi = 1.17805039881 TCL: Center of mass = 26.6991411471 -2.01901862477 0.996225752491 TCL: atom 1: phi = 1.17834418185 TCL: Center of mass = 26.7004088276 -2.01905830874 0.995992736434 TCL: atom 1: phi = 1.17878210843 TCL: Center of mass = 26.7016572166 -2.01913394367 0.995742542966 TCL: atom 1: phi = 1.17919943745 TCL: Center of mass = 26.7029197924 -2.01922025947 0.995526669677 TCL: atom 1: phi = 1.17977225249 TCL: Center of mass = 26.7041982873 -2.01935133103 0.995324585981 TCL: atom 1: phi = 1.18034884632 TCL: Center of mass = 26.7055116118 -2.01951047243 0.995127121495 TCL: atom 1: phi = 1.18097826399 TCL: Center of mass = 26.7068555098 -2.0196963304 0.994923997486 TCL: atom 1: phi = 1.18148466089 TCL: Center of mass = 26.7082154356 -2.01991692603 0.994732379678 TCL: atom 1: phi = 1.18196931829 TCL: Center of mass = 26.709583143 -2.02016010218 0.994541136242 TCL: atom 1: phi = 1.18215979134 TCL: Center of mass = 26.7109779484 -2.02041408901 0.99435761953 TCL: atom 1: phi = 1.18222968663 TCL: Center of mass = 26.7123760462 -2.02069185151 0.994180448312 TCL: atom 1: phi = 1.18196893498 TCL: Center of mass = 26.7137923882 -2.02097901779 0.994044196844 TCL: atom 1: phi = 1.18157208919 TCL: Center of mass = 26.715187235 -2.02129962021 0.993946219441 TCL: atom 1: phi = 1.18092908503 TCL: Center of mass = 26.7165871103 -2.02163712009 0.993901321824 TCL: atom 1: phi = 1.18028200769 TCL: Center of mass = 26.7179593691 -2.02198584051 0.993913419634 TCL: atom 1: phi = 1.17959655507 TCL: Center of mass = 26.7193245434 -2.02232770943 0.993975360674 TCL: atom 1: phi = 1.17908422098 TCL: Center of mass = 26.7206813957 -2.02269171903 0.994054568047 TCL: atom 1: phi = 1.17862526831 TCL: Center of mass = 26.7220556789 -2.02305216631 0.994150629969 TCL: atom 1: phi = 1.17836053861 TCL: Center of mass = 26.7234031043 -2.02342872079 0.994244030761 TCL: atom 1: phi = 1.17808093691 TIMING: 19100 CPU: 1024.32, 0.0541018/step Wall: 1222.55, 0.0640752/step, 0.0160188 hours remaining, 13612 kB of memory in use. ENERGY: 19100 3535.8164 2498.0733 401.1242 43.4470 -44802.4965 4050.4722 0.0000 0.0000 9842.9364 -24430.6270 291.7847 -24283.9497 -24282.9821 293.0071 1831.0310 -455.4571 125000.0000 -519.4603 -521.0716 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19100 WRITING COORDINATES TO DCD FILE AT STEP 19100 WRITING COORDINATES TO RESTART FILE AT STEP 19100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.7247569592 -2.0237984334 0.99433946532 TCL: atom 1: phi = 1.17786253871 TCL: Center of mass = 26.7260585426 -2.02416572669 0.994400416951 TCL: atom 1: phi = 1.17757267486 TCL: Center of mass = 26.7273341558 -2.02455365964 0.994443573752 TCL: atom 1: phi = 1.17740274805 TCL: Center of mass = 26.7285575577 -2.02494360531 0.994456673561 TCL: atom 1: phi = 1.17730606606 TCL: Center of mass = 26.7297169054 -2.02534309414 0.994455100145 TCL: atom 1: phi = 1.17749451821 TCL: Center of mass = 26.7308159378 -2.02571881009 0.994418438764 TCL: atom 1: phi = 1.17788887011 TCL: Center of mass = 26.7318720327 -2.02606832573 0.994367357898 TCL: atom 1: phi = 1.17860359671 TCL: Center of mass = 26.7328602822 -2.02641087743 0.9942779361 TCL: atom 1: phi = 1.17946290576 TCL: Center of mass = 26.7338418358 -2.02674691683 0.994153562535 TCL: atom 1: phi = 1.18047400055 TCL: Center of mass = 26.7347955988 -2.02706822042 0.993991842885 TCL: atom 1: phi = 1.1814797212 TCL: Center of mass = 26.7357353384 -2.02740371586 0.993795657342 TCL: atom 1: phi = 1.18250122974 TCL: Center of mass = 26.7366794684 -2.02775930872 0.993573545773 TCL: atom 1: phi = 1.18325960328 TCL: Center of mass = 26.7376648711 -2.02811631998 0.993349032688 TCL: atom 1: phi = 1.18402077116 TCL: Center of mass = 26.7386391594 -2.02851420146 0.993093425104 TCL: atom 1: phi = 1.18463527795 TCL: Center of mass = 26.7396393581 -2.02891235602 0.99283485966 TCL: atom 1: phi = 1.18542242735 TCL: Center of mass = 26.740638894 -2.02931520354 0.992572786016 TCL: atom 1: phi = 1.18622310634 TCL: Center of mass = 26.7416696498 -2.02968268645 0.992344337058 TCL: atom 1: phi = 1.18734806943 TCL: Center of mass = 26.7426954256 -2.03004249273 0.992130738615 TCL: atom 1: phi = 1.18844923243 TCL: Center of mass = 26.7437733509 -2.03037895745 0.991933955589 TCL: atom 1: phi = 1.18977267296 TCL: Center of mass = 26.744909396 -2.03070432211 0.991759900778 TCL: atom 1: phi = 1.19098997162 TCL: Center of mass = 26.7461377849 -2.03104847641 0.991602677695 TCL: atom 1: phi = 1.1922717214 TCL: Center of mass = 26.7474182122 -2.03141566193 0.991463053341 TCL: atom 1: phi = 1.19326325131 TCL: Center of mass = 26.7487795467 -2.0318178484 0.991347400144 TCL: atom 1: phi = 1.19420049211 TCL: Center of mass = 26.7501631291 -2.03224514985 0.991230438788 TCL: atom 1: phi = 1.19491326787 TCL: Center of mass = 26.7515916602 -2.03270131235 0.991127283085 TCL: atom 1: phi = 1.19569103624 TCL: Center of mass = 26.7529986701 -2.03317222293 0.991023491773 TCL: atom 1: phi = 1.19627783767 TCL: Center of mass = 26.7543916029 -2.03362430015 0.990911597096 TCL: atom 1: phi = 1.19704635597 TCL: Center of mass = 26.7557292353 -2.0340362722 0.990806690324 TCL: atom 1: phi = 1.19771120345 TCL: Center of mass = 26.7570327772 -2.03442413262 0.990693137918 TCL: atom 1: phi = 1.1983952414 TCL: Center of mass = 26.7582944907 -2.03480379644 0.990605201009 TCL: atom 1: phi = 1.19882655176 TCL: Center of mass = 26.7595311936 -2.03520736233 0.990525662608 TCL: atom 1: phi = 1.19919523499 TCL: Center of mass = 26.760745927 -2.03563361658 0.990462857843 TCL: atom 1: phi = 1.1991884361 TCL: Center of mass = 26.7619632189 -2.0360625769 0.990400229341 TCL: atom 1: phi = 1.19907662434 TCL: Center of mass = 26.7631721748 -2.0365144514 0.990360135769 TCL: atom 1: phi = 1.19861992999 TCL: Center of mass = 26.7643965165 -2.03697449917 0.990304836675 TCL: atom 1: phi = 1.19815274134 TCL: Center of mass = 26.7655914918 -2.03742760523 0.990251657737 TCL: atom 1: phi = 1.19750243096 TCL: Center of mass = 26.7667584492 -2.03787310182 0.990191165592 TCL: atom 1: phi = 1.19703476466 TCL: Center of mass = 26.767873804 -2.03829681617 0.990124181615 TCL: atom 1: phi = 1.19652267106 TCL: Center of mass = 26.7689910118 -2.03868983257 0.990038600235 TCL: atom 1: phi = 1.19624218457 TCL: Center of mass = 26.7700784971 -2.03906543432 0.989951578364 TCL: atom 1: phi = 1.19588613507 TCL: Center of mass = 26.7711623402 -2.03941615497 0.989874751385 TCL: atom 1: phi = 1.19567331427 TCL: Center of mass = 26.7722734152 -2.03977326032 0.989805625563 TCL: atom 1: phi = 1.19529465017 TCL: Center of mass = 26.7734426431 -2.04013914365 0.989751023164 TCL: atom 1: phi = 1.19498212816 TCL: Center of mass = 26.7746479286 -2.04050967994 0.989706768804 TCL: atom 1: phi = 1.19450239936 TCL: Center of mass = 26.7758925129 -2.04090709451 0.989674359092 TCL: atom 1: phi = 1.19416920163 TCL: Center of mass = 26.7771590612 -2.04130353053 0.989639383996 TCL: atom 1: phi = 1.193809051 TCL: Center of mass = 26.7784504788 -2.04168581154 0.989606550115 TCL: atom 1: phi = 1.19368855217 TCL: Center of mass = 26.7797308271 -2.04204276021 0.98956696131 TCL: atom 1: phi = 1.19364908597 TCL: Center of mass = 26.7810216256 -2.04236640189 0.98952448797 TCL: atom 1: phi = 1.19381356646 TCL: Center of mass = 26.7822737165 -2.04263617014 0.989446589134 TCL: atom 1: phi = 1.19393677663 TCL: Center of mass = 26.7835023186 -2.04287550667 0.989367117342 TCL: atom 1: phi = 1.19415459082 TCL: Center of mass = 26.7846954782 -2.04312278087 0.989285818512 TCL: atom 1: phi = 1.19418096629 TCL: Center of mass = 26.7858965502 -2.04336341844 0.989201143828 TCL: atom 1: phi = 1.19423665534 TCL: Center of mass = 26.7870783523 -2.04360686989 0.989109338436 TCL: atom 1: phi = 1.19408065528 TCL: Center of mass = 26.7882839179 -2.04384970336 0.989001445224 TCL: atom 1: phi = 1.19390859907 TCL: Center of mass = 26.7894885287 -2.04407525827 0.988908890191 TCL: atom 1: phi = 1.19360833404 TCL: Center of mass = 26.790687805 -2.04430173393 0.988788958413 TCL: atom 1: phi = 1.19340570472 TCL: Center of mass = 26.7918680053 -2.04447703641 0.988641886943 TCL: atom 1: phi = 1.1931686352 TCL: Center of mass = 26.7930566577 -2.04464489261 0.988458907194 TCL: atom 1: phi = 1.19317919851 TCL: Center of mass = 26.7942257942 -2.04478098308 0.988249132523 TCL: atom 1: phi = 1.1931526606 TCL: Center of mass = 26.7953960053 -2.0449075066 0.988027865055 TCL: atom 1: phi = 1.19328991208 TCL: Center of mass = 26.7965360264 -2.0450173498 0.987804104456 TCL: atom 1: phi = 1.19328997233 TCL: Center of mass = 26.7976980033 -2.04512312531 0.987574829378 TCL: atom 1: phi = 1.19325904996 TCL: Center of mass = 26.7988582915 -2.04524289533 0.987345232723 TCL: atom 1: phi = 1.19303714465 TCL: Center of mass = 26.8000750046 -2.0453993813 0.987131318738 TCL: atom 1: phi = 1.19286720174 TCL: Center of mass = 26.8013217937 -2.04554684779 0.98693105461 TCL: atom 1: phi = 1.1925687294 TCL: Center of mass = 26.8026189982 -2.04566799969 0.986727874404 TCL: atom 1: phi = 1.19243519332 TCL: Center of mass = 26.8039280277 -2.04577332459 0.986502757866 TCL: atom 1: phi = 1.19228387266 TCL: Center of mass = 26.8052578636 -2.04585926763 0.98624802295 TCL: atom 1: phi = 1.19231898728 TCL: Center of mass = 26.80659731 -2.04593233602 0.9859676292 TCL: atom 1: phi = 1.19219483283 TCL: Center of mass = 26.8079390281 -2.04598522768 0.985695004761 TCL: atom 1: phi = 1.19206687949 TCL: Center of mass = 26.8092392351 -2.04603457769 0.985402877308 TCL: atom 1: phi = 1.19167602949 TCL: Center of mass = 26.8105126568 -2.04606998734 0.985121226605 TCL: atom 1: phi = 1.19115534965 TCL: Center of mass = 26.8117447466 -2.04611480558 0.984835154479 TCL: atom 1: phi = 1.1902817824 TCL: Center of mass = 26.812966414 -2.04616881261 0.9845696543 TCL: atom 1: phi = 1.18925116914 TCL: Center of mass = 26.8141860337 -2.04621405381 0.984317860234 TCL: atom 1: phi = 1.18795949989 TCL: Center of mass = 26.8154199843 -2.04626260497 0.984077688754 TCL: atom 1: phi = 1.18673842711 TCL: Center of mass = 26.816662283 -2.04632670696 0.983815913431 TCL: atom 1: phi = 1.18545341478 TCL: Center of mass = 26.8179303676 -2.0463906199 0.98354673345 TCL: atom 1: phi = 1.18437523385 TCL: Center of mass = 26.8191951718 -2.046460462 0.983265518023 TCL: atom 1: phi = 1.18341853163 TCL: Center of mass = 26.8204580984 -2.04653369765 0.982989915505 TCL: atom 1: phi = 1.18272654223 TCL: Center of mass = 26.8216891024 -2.04661100639 0.982693140036 TCL: atom 1: phi = 1.18201934273 TCL: Center of mass = 26.8229053536 -2.04667477049 0.982411087439 TCL: atom 1: phi = 1.18150505739 TCL: Center of mass = 26.8240691086 -2.04673764178 0.982139219722 TCL: atom 1: phi = 1.18096835784 TCL: Center of mass = 26.8252221826 -2.04681138216 0.98188992033 TCL: atom 1: phi = 1.18055160307 TCL: Center of mass = 26.8263555879 -2.04687364371 0.981669815703 TCL: atom 1: phi = 1.180104005 TCL: Center of mass = 26.8275010278 -2.04693547991 0.981482783013 TCL: atom 1: phi = 1.17996465579 TCL: Center of mass = 26.8286731908 -2.04702121381 0.981318189181 TCL: atom 1: phi = 1.17990424733 TCL: Center of mass = 26.8299073204 -2.0471108501 0.981178829261 TCL: atom 1: phi = 1.1801679517 TCL: Center of mass = 26.831175875 -2.04719586581 0.981037422649 TCL: atom 1: phi = 1.18051058801 TCL: Center of mass = 26.8324915881 -2.04726484927 0.980887835149 TCL: atom 1: phi = 1.1810697533 TCL: Center of mass = 26.8338319267 -2.04731232311 0.980743352586 TCL: atom 1: phi = 1.18150197648 TCL: Center of mass = 26.835188592 -2.04735219531 0.98059438501 TCL: atom 1: phi = 1.18192196962 TCL: Center of mass = 26.8365459209 -2.0474009176 0.980445007544 TCL: atom 1: phi = 1.18201182741 TCL: Center of mass = 26.8379087954 -2.04744860019 0.980286743661 TCL: atom 1: phi = 1.18200564487 TCL: Center of mass = 26.8392698684 -2.04749746605 0.980122170177 TCL: atom 1: phi = 1.18162388354 TCL: Center of mass = 26.8406331906 -2.04753881211 0.979946254329 TCL: atom 1: phi = 1.18118494144 TCL: Center of mass = 26.8420108066 -2.04759437376 0.979761269535 TCL: atom 1: phi = 1.18052042501 TCL: Center of mass = 26.84340126 -2.04765190272 0.979572984852 TCL: atom 1: phi = 1.17995575133 TCL: Center of mass = 26.8448170932 -2.04773817573 0.979366119635 TCL: atom 1: phi = 1.17933262041 TIMING: 19200 CPU: 1029.74, 0.0542218/step Wall: 1228.97, 0.0642173/step, 0.0142705 hours remaining, 13612 kB of memory in use. ENERGY: 19200 3473.3062 2523.7441 413.7721 37.5821 -44899.6445 4201.8266 0.0000 0.0000 9868.2416 -24381.1718 292.5348 -24233.8995 -24234.0663 293.0149 2043.9125 -57.3268 125000.0000 -240.1144 -238.1456 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19200 WRITING COORDINATES TO DCD FILE AT STEP 19200 WRITING COORDINATES TO RESTART FILE AT STEP 19200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.8462455789 -2.04783834435 0.979148136841 TCL: atom 1: phi = 1.17883391058 TCL: Center of mass = 26.8476888974 -2.04796783759 0.978902267689 TCL: atom 1: phi = 1.17826083383 TCL: Center of mass = 26.8491344528 -2.04809218435 0.978619479559 TCL: atom 1: phi = 1.17775584474 TCL: Center of mass = 26.8505496509 -2.04821166302 0.978309208088 TCL: atom 1: phi = 1.17713319553 TCL: Center of mass = 26.851946147 -2.04830489626 0.977986259341 TCL: atom 1: phi = 1.17656458175 TCL: Center of mass = 26.8532873754 -2.0483787267 0.977674028814 TCL: atom 1: phi = 1.17589165548 TCL: Center of mass = 26.8546046855 -2.04842503033 0.977387069412 TCL: atom 1: phi = 1.17540843711 TCL: Center of mass = 26.8559022177 -2.04845874682 0.977110198407 TCL: atom 1: phi = 1.1748661561 TCL: Center of mass = 26.857206901 -2.04850977336 0.97684336864 TCL: atom 1: phi = 1.17454613042 TCL: Center of mass = 26.8585107967 -2.04859461667 0.97660686936 TCL: atom 1: phi = 1.17427786949 TCL: Center of mass = 26.8598496669 -2.04870581505 0.97636309868 TCL: atom 1: phi = 1.17433715396 TCL: Center of mass = 26.8611904075 -2.04886431346 0.976121067096 TCL: atom 1: phi = 1.17440044052 TCL: Center of mass = 26.8625568547 -2.04905278562 0.975880116811 TCL: atom 1: phi = 1.17459296345 TCL: Center of mass = 26.8639190511 -2.04929822376 0.975650564743 TCL: atom 1: phi = 1.17462679592 TCL: Center of mass = 26.8652928879 -2.04954163948 0.975435631742 TCL: atom 1: phi = 1.17466157302 TCL: Center of mass = 26.866643709 -2.04979049473 0.975238191651 TCL: atom 1: phi = 1.17441670745 TCL: Center of mass = 26.8679641528 -2.05003301271 0.975064096674 TCL: atom 1: phi = 1.17419432901 TCL: Center of mass = 26.8692683401 -2.0502840143 0.974899759106 TCL: atom 1: phi = 1.17371369019 TCL: Center of mass = 26.8705561602 -2.0505568452 0.974742029653 TCL: atom 1: phi = 1.17336495474 TCL: Center of mass = 26.8718582394 -2.05085053567 0.974598167822 TCL: atom 1: phi = 1.1729622871 TCL: Center of mass = 26.8731888292 -2.05115558669 0.974471271696 TCL: atom 1: phi = 1.17281833088 TCL: Center of mass = 26.8745453358 -2.05151028286 0.97435507931 TCL: atom 1: phi = 1.17273489018 TCL: Center of mass = 26.875923251 -2.05189221138 0.974246182003 TCL: atom 1: phi = 1.17289796173 TCL: Center of mass = 26.8773069575 -2.05231061313 0.974156380044 TCL: atom 1: phi = 1.17307747113 TCL: Center of mass = 26.8787119186 -2.05271623571 0.974076309292 TCL: atom 1: phi = 1.17339954598 TCL: Center of mass = 26.8800938439 -2.05311951905 0.973983949134 TCL: atom 1: phi = 1.17356493519 TCL: Center of mass = 26.8814512355 -2.0535010693 0.973887116207 TCL: atom 1: phi = 1.17389774214 TCL: Center of mass = 26.8827724361 -2.05384836291 0.97379683053 TCL: atom 1: phi = 1.17419412539 TCL: Center of mass = 26.8840716822 -2.05417085092 0.973732411961 TCL: atom 1: phi = 1.17481201552 TCL: Center of mass = 26.8853561997 -2.05450073427 0.973677340306 TCL: atom 1: phi = 1.17544201998 TCL: Center of mass = 26.8866326111 -2.0548529732 0.973650841349 TCL: atom 1: phi = 1.17642525542 TCL: Center of mass = 26.8879265106 -2.0552237104 0.973655510823 TCL: atom 1: phi = 1.17736874656 TCL: Center of mass = 26.8892479606 -2.05563069808 0.973671391421 TCL: atom 1: phi = 1.17856537696 TCL: Center of mass = 26.8905922489 -2.056049972 0.973699604235 TCL: atom 1: phi = 1.17958680677 TCL: Center of mass = 26.8919685397 -2.05647540888 0.973722779092 TCL: atom 1: phi = 1.18071138147 TCL: Center of mass = 26.8933521301 -2.05689919892 0.973770314646 TCL: atom 1: phi = 1.1815079858 TCL: Center of mass = 26.8947502663 -2.05731186319 0.973827113337 TCL: atom 1: phi = 1.18224610085 TCL: Center of mass = 26.8961287038 -2.05771499527 0.973872012024 TCL: atom 1: phi = 1.18257966394 TCL: Center of mass = 26.897508601 -2.05812347194 0.973919573857 TCL: atom 1: phi = 1.18288126875 TCL: Center of mass = 26.8988789376 -2.0585594818 0.97394704505 TCL: atom 1: phi = 1.18289173344 TCL: Center of mass = 26.9002300288 -2.0590217151 0.973951625835 TCL: atom 1: phi = 1.18296800362 TCL: Center of mass = 26.901600147 -2.05953148145 0.973935487933 TCL: atom 1: phi = 1.18275933726 TCL: Center of mass = 26.9029966402 -2.06007555297 0.9739021032 TCL: atom 1: phi = 1.18266222608 TCL: Center of mass = 26.9044079466 -2.06066575054 0.973839059748 TCL: atom 1: phi = 1.18239513401 TCL: Center of mass = 26.9058572186 -2.06127364705 0.973786047005 TCL: atom 1: phi = 1.18227790705 TCL: Center of mass = 26.9073165622 -2.06186423546 0.97369465757 TCL: atom 1: phi = 1.18205623419 TCL: Center of mass = 26.9088038699 -2.06242262853 0.973591671797 TCL: atom 1: phi = 1.18208892247 TCL: Center of mass = 26.9102786077 -2.06295023437 0.973453568757 TCL: atom 1: phi = 1.18201545941 TCL: Center of mass = 26.9117612341 -2.06346355156 0.973316479479 TCL: atom 1: phi = 1.18219713806 TCL: Center of mass = 26.913235206 -2.06397427279 0.973142626369 TCL: atom 1: phi = 1.18236598942 TCL: Center of mass = 26.9146877301 -2.06447485876 0.972972399075 TCL: atom 1: phi = 1.18276851397 TCL: Center of mass = 26.9161114953 -2.06497683967 0.972779106717 TCL: atom 1: phi = 1.18315671129 TCL: Center of mass = 26.9175312232 -2.06546207784 0.972621670044 TCL: atom 1: phi = 1.18380439368 TCL: Center of mass = 26.9189698528 -2.06595385292 0.972490464366 TCL: atom 1: phi = 1.18437392495 TCL: Center of mass = 26.920444079 -2.06643420417 0.972404812295 TCL: atom 1: phi = 1.18507728941 TCL: Center of mass = 26.9219530643 -2.06689168924 0.972335096994 TCL: atom 1: phi = 1.18554425199 TCL: Center of mass = 26.9235052864 -2.06733554219 0.972324694159 TCL: atom 1: phi = 1.18605464448 TCL: Center of mass = 26.9250820252 -2.06776390312 0.972338747256 TCL: atom 1: phi = 1.18627266265 TCL: Center of mass = 26.9267006969 -2.06819661664 0.972377489214 TCL: atom 1: phi = 1.18650098002 TCL: Center of mass = 26.9283061449 -2.06864838827 0.972403517948 TCL: atom 1: phi = 1.18642331943 TCL: Center of mass = 26.9299168749 -2.06910621158 0.972446531111 TCL: atom 1: phi = 1.18629856606 TCL: Center of mass = 26.931473126 -2.06958551165 0.972510804503 TCL: atom 1: phi = 1.18586020572 TCL: Center of mass = 26.9329882596 -2.07007646453 0.972574305825 TCL: atom 1: phi = 1.18541526409 TCL: Center of mass = 26.9344645179 -2.0705736643 0.972647636269 TCL: atom 1: phi = 1.18472817753 TCL: Center of mass = 26.9359463006 -2.07106125305 0.972763965921 TCL: atom 1: phi = 1.18410738736 TCL: Center of mass = 26.9374177836 -2.07152680221 0.972899080542 TCL: atom 1: phi = 1.18333144946 TCL: Center of mass = 26.938923176 -2.07198996733 0.973058976874 TCL: atom 1: phi = 1.18265450645 TCL: Center of mass = 26.9404440884 -2.07244006858 0.973192115317 TCL: atom 1: phi = 1.18182403617 TCL: Center of mass = 26.9419902576 -2.0728544756 0.973324822285 TCL: atom 1: phi = 1.18116024551 TCL: Center of mass = 26.9435244646 -2.07324784863 0.973421392185 TCL: atom 1: phi = 1.18043865442 TCL: Center of mass = 26.9450421893 -2.07362704123 0.973516609034 TCL: atom 1: phi = 1.17990056332 TCL: Center of mass = 26.946524117 -2.07397149136 0.973561469863 TCL: atom 1: phi = 1.17932096318 TCL: Center of mass = 26.9479877805 -2.07428367276 0.97359520049 TCL: atom 1: phi = 1.1789494573 TCL: Center of mass = 26.9494216416 -2.07455595066 0.97363581328 TCL: atom 1: phi = 1.17849850224 TCL: Center of mass = 26.950823994 -2.07478506722 0.973705572226 TCL: atom 1: phi = 1.17816629621 TCL: Center of mass = 26.9522280323 -2.07496566082 0.97380205511 TCL: atom 1: phi = 1.17772551132 TCL: Center of mass = 26.9536404249 -2.07513212933 0.973903495575 TCL: atom 1: phi = 1.17739910228 TCL: Center of mass = 26.9550771461 -2.07526724774 0.974002378695 TCL: atom 1: phi = 1.17686642936 TCL: Center of mass = 26.9565682139 -2.0753964697 0.974076310175 TCL: atom 1: phi = 1.17646129447 TCL: Center of mass = 26.9580977694 -2.07555342335 0.974129541746 TCL: atom 1: phi = 1.17587398 TCL: Center of mass = 26.9596533835 -2.07572214556 0.974161687619 TCL: atom 1: phi = 1.17540693539 TCL: Center of mass = 26.961225146 -2.07589780892 0.974143683303 TCL: atom 1: phi = 1.17482880071 TCL: Center of mass = 26.9628307269 -2.07607530155 0.974090821732 TCL: atom 1: phi = 1.17441912931 TCL: Center of mass = 26.9644269882 -2.0762264549 0.973989763514 TCL: atom 1: phi = 1.17398498044 TCL: Center of mass = 26.966010098 -2.0763645128 0.973881766864 TCL: atom 1: phi = 1.17379945125 TCL: Center of mass = 26.9675794313 -2.076482166 0.973766614926 TCL: atom 1: phi = 1.17368750151 TCL: Center of mass = 26.9691429701 -2.07659571365 0.973668035805 TCL: atom 1: phi = 1.17392751515 TCL: Center of mass = 26.9707102373 -2.07670438807 0.973546670917 TCL: atom 1: phi = 1.17425948621 TCL: Center of mass = 26.9723262697 -2.07680994508 0.973417415929 TCL: atom 1: phi = 1.17498493933 TCL: Center of mass = 26.9739886325 -2.0769146619 0.973275879731 TCL: atom 1: phi = 1.17581031486 TCL: Center of mass = 26.9757181424 -2.07702565254 0.973138090983 TCL: atom 1: phi = 1.1770160914 TCL: Center of mass = 26.9774522434 -2.07716306074 0.972983152168 TCL: atom 1: phi = 1.17826701977 TCL: Center of mass = 26.9792133994 -2.07728030665 0.972826395754 TCL: atom 1: phi = 1.17981862433 TCL: Center of mass = 26.9809586023 -2.07735240011 0.972662397466 TCL: atom 1: phi = 1.18132352048 TCL: Center of mass = 26.982695043 -2.07736545455 0.972527714944 TCL: atom 1: phi = 1.18295220253 TCL: Center of mass = 26.9843798133 -2.07733443363 0.972407810784 TCL: atom 1: phi = 1.18441958347 TCL: Center of mass = 26.9860383314 -2.07726814403 0.972310356094 TCL: atom 1: phi = 1.18589947763 TCL: Center of mass = 26.987663467 -2.07716420622 0.972238587077 TCL: atom 1: phi = 1.18701026082 TCL: Center of mass = 26.9892949986 -2.07706354098 0.972201165769 TCL: atom 1: phi = 1.18806054674 TCL: Center of mass = 26.9909538153 -2.07698853008 0.972178865574 TCL: atom 1: phi = 1.18876613733 WRITING COORDINATES TO DCD FILE AT STEP 19300 WRITING COORDINATES TO RESTART FILE AT STEP 19300 FINISHED WRITING RESTART COORDINATES TIMING: 19300 CPU: 1035.16, 0.0541618/step Wall: 1235.5, 0.0652709/step, 0.0126916 hours remaining, 13612 kB of memory in use. ENERGY: 19300 3462.6189 2514.9423 398.9679 32.1538 -44946.1682 4251.1376 0.0000 0.0000 9877.3298 -24409.0180 292.8042 -24260.3992 -24262.9264 294.7596 1999.9360 -43.2382 125000.0000 -57.1009 -52.7079 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19300 WRITING VELOCITIES TO RESTART FILE AT STEP 19300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.9926444441 -2.07696143195 0.972181410898 TCL: atom 1: phi = 1.18934589028 TCL: Center of mass = 26.9943535002 -2.07696921237 0.972202511197 TCL: atom 1: phi = 1.18957853166 TCL: Center of mass = 26.996104171 -2.07699773742 0.972235707678 TCL: atom 1: phi = 1.18973368752 TCL: Center of mass = 26.9978683 -2.07702201497 0.972259881832 TCL: atom 1: phi = 1.18957474904 TCL: Center of mass = 26.9996302585 -2.07702947938 0.972269759509 TCL: atom 1: phi = 1.18935794766 TCL: Center of mass = 27.0013586675 -2.07701251747 0.972266522196 TCL: atom 1: phi = 1.18882286803 TCL: Center of mass = 27.0030601793 -2.07698668366 0.972247263992 TCL: atom 1: phi = 1.18828668412 TCL: Center of mass = 27.0047179257 -2.07697129416 0.972232244568 TCL: atom 1: phi = 1.18762614526 TCL: Center of mass = 27.0063579815 -2.07696785565 0.972211419212 TCL: atom 1: phi = 1.18714881905 TCL: Center of mass = 27.0079633952 -2.07699989553 0.972204333485 TCL: atom 1: phi = 1.18665405613 TCL: Center of mass = 27.0095656159 -2.07708460432 0.972198270927 TCL: atom 1: phi = 1.18649438424 TCL: Center of mass = 27.0111780015 -2.07722686517 0.972199880388 TCL: atom 1: phi = 1.18640527506 TCL: Center of mass = 27.0128241427 -2.07741149859 0.972227744454 TCL: atom 1: phi = 1.18659488657 TCL: Center of mass = 27.0144661182 -2.07759142621 0.972277896821 TCL: atom 1: phi = 1.18687179326 TCL: Center of mass = 27.0161075157 -2.07769981433 0.972353204386 TCL: atom 1: phi = 1.18741691447 TCL: Center of mass = 27.017738257 -2.07777241413 0.972435034599 TCL: atom 1: phi = 1.18794529717 TCL: Center of mass = 27.0193528795 -2.07778825773 0.972542022317 TCL: atom 1: phi = 1.1886898436 TCL: Center of mass = 27.0209141548 -2.0777787928 0.972680402277 TCL: atom 1: phi = 1.18939121707 TCL: Center of mass = 27.0224473907 -2.0777387094 0.97285163899 TCL: atom 1: phi = 1.19025949954 TCL: Center of mass = 27.023931666 -2.07770131017 0.973085088695 TCL: atom 1: phi = 1.19098660836 TCL: Center of mass = 27.0253945578 -2.07769064048 0.973358610768 TCL: atom 1: phi = 1.19177306537 TCL: Center of mass = 27.0268369914 -2.07772457345 0.97370029929 TCL: atom 1: phi = 1.19232129803 TCL: Center of mass = 27.0283002712 -2.07777857375 0.974098590449 TCL: atom 1: phi = 1.19284296958 TCL: Center of mass = 27.02976683 -2.07785623392 0.974531348372 TCL: atom 1: phi = 1.19308235814 TCL: Center of mass = 27.0312712676 -2.07791150106 0.975004987191 TCL: atom 1: phi = 1.19331126736 TCL: Center of mass = 27.0327830281 -2.07795431661 0.975491915376 TCL: atom 1: phi = 1.19328208981 TCL: Center of mass = 27.034297929 -2.07797436957 0.97600789515 TCL: atom 1: phi = 1.19329829683 TCL: Center of mass = 27.0357981355 -2.07800484445 0.976536110729 TCL: atom 1: phi = 1.19313628481 TCL: Center of mass = 27.0372809853 -2.07805872861 0.977053789102 TCL: atom 1: phi = 1.19313282371 TCL: Center of mass = 27.0387123538 -2.07815249518 0.977551154462 TCL: atom 1: phi = 1.19303595648 TCL: Center of mass = 27.0401239525 -2.0782883595 0.978029350492 TCL: atom 1: phi = 1.19307591832 TCL: Center of mass = 27.0414950556 -2.07847943379 0.978499834244 TCL: atom 1: phi = 1.19308187084 TCL: Center of mass = 27.0428716564 -2.078681729 0.978965738571 TCL: atom 1: phi = 1.19327744218 TCL: Center of mass = 27.0442413046 -2.07889032378 0.979395505009 TCL: atom 1: phi = 1.19341493375 TCL: Center of mass = 27.0456332323 -2.07909659629 0.979811592817 TCL: atom 1: phi = 1.19370724773 TCL: Center of mass = 27.0470476801 -2.07929400478 0.980191156141 TCL: atom 1: phi = 1.19399821459 TCL: Center of mass = 27.048502551 -2.07949199703 0.980551793747 TCL: atom 1: phi = 1.194427134 TCL: Center of mass = 27.0499550482 -2.07969162412 0.980850328589 TCL: atom 1: phi = 1.19472496408 TCL: Center of mass = 27.0514024474 -2.07990359752 0.981133771558 TCL: atom 1: phi = 1.19518868336 TCL: Center of mass = 27.0528049067 -2.08014366698 0.981404197017 TCL: atom 1: phi = 1.19543537557 TCL: Center of mass = 27.0541927023 -2.08041884924 0.98167087713 TCL: atom 1: phi = 1.19578799944 TCL: Center of mass = 27.0555262956 -2.08073979421 0.981923011059 TCL: atom 1: phi = 1.19596842906 TCL: Center of mass = 27.0568478521 -2.08105525289 0.982210015251 TCL: atom 1: phi = 1.19615757959 TCL: Center of mass = 27.0581474053 -2.08138269808 0.982498675395 TCL: atom 1: phi = 1.19613990399 TCL: Center of mass = 27.0594532797 -2.08169501398 0.982824763339 TCL: atom 1: phi = 1.19616474235 TCL: Center of mass = 27.0607663062 -2.08201258024 0.983167275274 TCL: atom 1: phi = 1.19594165301 TCL: Center of mass = 27.0621278535 -2.08231850318 0.983555106171 TCL: atom 1: phi = 1.19576650101 TCL: Center of mass = 27.0635092769 -2.08264906355 0.983926555299 TCL: atom 1: phi = 1.1954557759 TCL: Center of mass = 27.0649192306 -2.08297258507 0.984303342555 TCL: atom 1: phi = 1.19527830947 TCL: Center of mass = 27.0663011399 -2.08332319271 0.984686483746 TCL: atom 1: phi = 1.19503345472 TCL: Center of mass = 27.0676555353 -2.08371055749 0.985069841458 TCL: atom 1: phi = 1.19504280624 TCL: Center of mass = 27.068957057 -2.0841113224 0.985449790615 TCL: atom 1: phi = 1.1950456943 TCL: Center of mass = 27.0702297122 -2.08451981752 0.98581987675 TCL: atom 1: phi = 1.19529607091 TCL: Center of mass = 27.0714691928 -2.08491271495 0.986157788912 TCL: atom 1: phi = 1.19554487377 TCL: Center of mass = 27.0726884413 -2.08528373926 0.986476031494 TCL: atom 1: phi = 1.19605846661 TCL: Center of mass = 27.073908732 -2.0856302741 0.986753757507 TCL: atom 1: phi = 1.1965352996 TCL: Center of mass = 27.0751481651 -2.08597445385 0.987025480493 TCL: atom 1: phi = 1.19720024223 TCL: Center of mass = 27.0764221952 -2.08631397078 0.987243375551 TCL: atom 1: phi = 1.19766694943 TCL: Center of mass = 27.0777279745 -2.08666133364 0.987463987164 TCL: atom 1: phi = 1.19823183563 TCL: Center of mass = 27.079049543 -2.08703436906 0.98764766107 TCL: atom 1: phi = 1.19855509857 TCL: Center of mass = 27.0803682018 -2.08743940512 0.987818878943 TCL: atom 1: phi = 1.19892496669 TCL: Center of mass = 27.0816777063 -2.08784468402 0.987943493886 TCL: atom 1: phi = 1.19905906824 TCL: Center of mass = 27.0829739928 -2.08825220732 0.988046553385 TCL: atom 1: phi = 1.19918347476 TCL: Center of mass = 27.0842621151 -2.08864370929 0.988139749165 TCL: atom 1: phi = 1.19896495524 TCL: Center of mass = 27.0855497897 -2.08902136397 0.988242625478 TCL: atom 1: phi = 1.19871139733 TCL: Center of mass = 27.0868750114 -2.08938014546 0.988334044065 TCL: atom 1: phi = 1.19816317339 TCL: Center of mass = 27.0882346968 -2.08972961985 0.988454484814 TCL: atom 1: phi = 1.19763469255 TCL: Center of mass = 27.0896494416 -2.09008337577 0.988572476064 TCL: atom 1: phi = 1.19685111666 TCL: Center of mass = 27.0911172851 -2.09045043101 0.988704485059 TCL: atom 1: phi = 1.19613000832 TCL: Center of mass = 27.092629186 -2.09084284987 0.988812663295 TCL: atom 1: phi = 1.19514337025 TCL: Center of mass = 27.094156254 -2.09127230663 0.988914633297 TCL: atom 1: phi = 1.194389712 TCL: Center of mass = 27.0956883977 -2.09171823678 0.988980361593 TCL: atom 1: phi = 1.19359908335 TCL: Center of mass = 27.0972346032 -2.0921486263 0.989016850859 TCL: atom 1: phi = 1.19316037989 TCL: Center of mass = 27.0987452992 -2.0925368144 0.989026529675 TCL: atom 1: phi = 1.19276087294 TCL: Center of mass = 27.1002338152 -2.09287778352 0.989018276293 TCL: atom 1: phi = 1.1927635177 TCL: Center of mass = 27.1016929815 -2.09318113349 0.988973818949 TCL: atom 1: phi = 1.19284518412 TCL: Center of mass = 27.1031481791 -2.09345643431 0.988924605807 TCL: atom 1: phi = 1.19333258292 TCL: Center of mass = 27.1046071679 -2.093729786 0.988850786799 TCL: atom 1: phi = 1.19389678803 TCL: Center of mass = 27.1060966091 -2.09399371957 0.988771722781 TCL: atom 1: phi = 1.19475569329 TCL: Center of mass = 27.1075923469 -2.09428040418 0.988682697664 TCL: atom 1: phi = 1.19565127047 TCL: Center of mass = 27.1091310915 -2.0945731846 0.988586177886 TCL: atom 1: phi = 1.19684494611 TCL: Center of mass = 27.1106983521 -2.09485493126 0.988455372531 TCL: atom 1: phi = 1.19798737087 TCL: Center of mass = 27.1122675357 -2.09511340405 0.988310248554 TCL: atom 1: phi = 1.19935906688 TCL: Center of mass = 27.1138151171 -2.09532155903 0.988129378836 TCL: atom 1: phi = 1.20063865367 TCL: Center of mass = 27.1153615305 -2.0954646925 0.987950723664 TCL: atom 1: phi = 1.20202303093 TCL: Center of mass = 27.1168860938 -2.09555859553 0.98777732774 TCL: atom 1: phi = 1.20318984175 TCL: Center of mass = 27.1184033037 -2.09560980673 0.987602659804 TCL: atom 1: phi = 1.20432867861 TCL: Center of mass = 27.1199257993 -2.09566850966 0.987425026186 TCL: atom 1: phi = 1.20512630833 TCL: Center of mass = 27.1214513551 -2.0957397118 0.987274781096 TCL: atom 1: phi = 1.205939858 TCL: Center of mass = 27.1229945981 -2.09584808909 0.987153781664 TCL: atom 1: phi = 1.20640758016 TCL: Center of mass = 27.1245606827 -2.09599517283 0.98705718963 TCL: atom 1: phi = 1.20695374363 TCL: Center of mass = 27.1261728584 -2.09616837829 0.986958278552 TCL: atom 1: phi = 1.2072866385 TCL: Center of mass = 27.1278553727 -2.09632873686 0.986866920383 TCL: atom 1: phi = 1.20778531044 TCL: Center of mass = 27.1295604954 -2.09646903034 0.986779491718 TCL: atom 1: phi = 1.20812508217 TCL: Center of mass = 27.1312918889 -2.09659896622 0.986700232514 TCL: atom 1: phi = 1.20874779903 TCL: Center of mass = 27.1330324815 -2.09670488329 0.986592726107 TCL: atom 1: phi = 1.20927835362 TCL: Center of mass = 27.134745518 -2.09679934108 0.986490890334 TCL: atom 1: phi = 1.21005194507 TCL: Center of mass = 27.1364269474 -2.09693471424 0.986386985505 TCL: atom 1: phi = 1.21068422035 TCL: Center of mass = 27.1380984647 -2.09709872233 0.986284273913 TCL: atom 1: phi = 1.21147613133 TCL: Center of mass = 27.1397456759 -2.0973339423 0.986189192599 TCL: atom 1: phi = 1.21207047447 WRITING COORDINATES TO DCD FILE AT STEP 19400 WRITING COORDINATES TO RESTART FILE AT STEP 19400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19400 FINISHED WRITING RESTART VELOCITIES TIMING: 19400 CPU: 1040.57, 0.0541018/step Wall: 1241.97, 0.0646712/step, 0.0107785 hours remaining, 13612 kB of memory in use. ENERGY: 19400 3459.0805 2551.6199 393.2299 41.1632 -44915.5908 4196.8574 0.0000 0.0000 9853.8223 -24419.8176 292.1074 -24272.9281 -24268.6733 293.0512 2006.7739 -135.4589 125000.0000 -5.6462 -4.9826 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19400 TCL: Center of mass = 27.1413862183 -2.09761282284 0.986114256619 TCL: atom 1: phi = 1.21285064147 TCL: Center of mass = 27.142993908 -2.09795719459 0.986057641057 TCL: atom 1: phi = 1.21344332438 TCL: Center of mass = 27.1446168511 -2.09831578234 0.98601751748 TCL: atom 1: phi = 1.21422260594 TCL: Center of mass = 27.1462262139 -2.0986748917 0.985987885172 TCL: atom 1: phi = 1.21481695118 TCL: Center of mass = 27.1478360708 -2.09899419605 0.98595410285 TCL: atom 1: phi = 1.21554705617 TCL: Center of mass = 27.1494173384 -2.09928996194 0.985932248886 TCL: atom 1: phi = 1.21599289403 TCL: Center of mass = 27.1509762694 -2.0995360376 0.985925203389 TCL: atom 1: phi = 1.21653564154 TCL: Center of mass = 27.1524653825 -2.09978858109 0.98592679406 TCL: atom 1: phi = 1.21679730534 TCL: Center of mass = 27.1539130408 -2.10004910563 0.985949272082 TCL: atom 1: phi = 1.21715073822 TCL: Center of mass = 27.1552984598 -2.10034938505 0.985972800345 TCL: atom 1: phi = 1.21712449501 TCL: Center of mass = 27.1566556811 -2.10068107147 0.986025954481 TCL: atom 1: phi = 1.21711000239 TCL: Center of mass = 27.1579862117 -2.10104790869 0.986092534708 TCL: atom 1: phi = 1.21678303688 TCL: Center of mass = 27.1593074138 -2.10142313592 0.986193640274 TCL: atom 1: phi = 1.21658698805 TCL: Center of mass = 27.1606649342 -2.1018071915 0.98630229773 TCL: atom 1: phi = 1.21621773233 TCL: Center of mass = 27.1620506732 -2.10215882906 0.986441424779 TCL: atom 1: phi = 1.21608305688 TCL: Center of mass = 27.1634664916 -2.10249365491 0.986581250761 TCL: atom 1: phi = 1.21585407498 TCL: Center of mass = 27.1649138705 -2.10281740519 0.986710855494 TCL: atom 1: phi = 1.21588439384 TCL: Center of mass = 27.1663706657 -2.10313697274 0.986834193072 TCL: atom 1: phi = 1.21580599023 TCL: Center of mass = 27.1678320602 -2.10348938622 0.986963382276 TCL: atom 1: phi = 1.21585036855 TCL: Center of mass = 27.1692890854 -2.10387710634 0.987078020828 TCL: atom 1: phi = 1.21567719954 TCL: Center of mass = 27.1707461798 -2.10430560462 0.987200637232 TCL: atom 1: phi = 1.21559791866 TCL: Center of mass = 27.1721931579 -2.10477211636 0.987310287379 TCL: atom 1: phi = 1.21527235704 TCL: Center of mass = 27.1736467287 -2.10527847616 0.987427934846 TCL: atom 1: phi = 1.21506927932 TCL: Center of mass = 27.1750788217 -2.10581137406 0.987507863517 TCL: atom 1: phi = 1.21471136734 TCL: Center of mass = 27.1765376978 -2.10632814894 0.987558700616 TCL: atom 1: phi = 1.21454755453 TCL: Center of mass = 27.1779778157 -2.10682854863 0.987560154402 TCL: atom 1: phi = 1.21423545959 TCL: Center of mass = 27.1794134886 -2.10733074173 0.987510196696 TCL: atom 1: phi = 1.21409142451 TCL: Center of mass = 27.180813673 -2.1078435884 0.987412992576 TCL: atom 1: phi = 1.21381317504 TCL: Center of mass = 27.1821758187 -2.10837559094 0.987286192381 TCL: atom 1: phi = 1.21362044368 TCL: Center of mass = 27.1834669205 -2.1089396558 0.987147713655 TCL: atom 1: phi = 1.21316280179 TCL: Center of mass = 27.1847282734 -2.10952365738 0.987005497241 TCL: atom 1: phi = 1.21273558392 TCL: Center of mass = 27.185932317 -2.11013051229 0.986857711232 TCL: atom 1: phi = 1.21208007122 TCL: Center of mass = 27.1871155833 -2.11072280662 0.986720621216 TCL: atom 1: phi = 1.21151845426 TCL: Center of mass = 27.1882566039 -2.11130002086 0.986577156321 TCL: atom 1: phi = 1.2108755486 TCL: Center of mass = 27.1894044681 -2.11184677576 0.986408928224 TCL: atom 1: phi = 1.21046925538 TCL: Center of mass = 27.1905650965 -2.11236509284 0.986236579443 TCL: atom 1: phi = 1.21011058788 TCL: Center of mass = 27.1917561536 -2.11287541906 0.986078843751 TCL: atom 1: phi = 1.21005216727 TCL: Center of mass = 27.1929705447 -2.11338663238 0.985915045736 TCL: atom 1: phi = 1.21005402195 TCL: Center of mass = 27.1942400172 -2.11392580143 0.98578074285 TCL: atom 1: phi = 1.21027473467 TCL: Center of mass = 27.1955200913 -2.11449374792 0.985669819507 TCL: atom 1: phi = 1.21045659682 TCL: Center of mass = 27.1968346985 -2.11507112253 0.985591801039 TCL: atom 1: phi = 1.2107253833 TCL: Center of mass = 27.1981618051 -2.11565638031 0.985540908865 TCL: atom 1: phi = 1.21085010033 TCL: Center of mass = 27.1995030961 -2.11625213545 0.985519250298 TCL: atom 1: phi = 1.21103197891 TCL: Center of mass = 27.2008820155 -2.11683131061 0.985505960536 TCL: atom 1: phi = 1.21107040838 TCL: Center of mass = 27.202283806 -2.1173917067 0.985513210528 TCL: atom 1: phi = 1.21123394976 TCL: Center of mass = 27.2037203712 -2.11792151144 0.985509378419 TCL: atom 1: phi = 1.21134908485 TCL: Center of mass = 27.2051892889 -2.11846811989 0.985511856356 TCL: atom 1: phi = 1.21155140398 TCL: Center of mass = 27.206666943 -2.11905476756 0.985510373596 TCL: atom 1: phi = 1.21169654574 TCL: Center of mass = 27.2081734605 -2.11967681902 0.985501186457 TCL: atom 1: phi = 1.21192833063 TCL: Center of mass = 27.2096684747 -2.1202973379 0.985499655413 TCL: atom 1: phi = 1.21206647036 TCL: Center of mass = 27.2111868798 -2.12091477776 0.985516566162 TCL: atom 1: phi = 1.21225482118 TCL: Center of mass = 27.2126697163 -2.12151608816 0.985541248769 TCL: atom 1: phi = 1.21223505512 TCL: Center of mass = 27.214124319 -2.12209956372 0.985574697259 TCL: atom 1: phi = 1.21218030067 TCL: Center of mass = 27.2155210658 -2.12262043889 0.985637541928 TCL: atom 1: phi = 1.2119348542 TCL: Center of mass = 27.2169037452 -2.12312439223 0.985708124183 TCL: atom 1: phi = 1.21180222658 TCL: Center of mass = 27.2182451301 -2.12359610377 0.985749446284 TCL: atom 1: phi = 1.2116626752 TCL: Center of mass = 27.2195674707 -2.12408322316 0.985802265901 TCL: atom 1: phi = 1.21176123362 TCL: Center of mass = 27.2208464798 -2.12458171179 0.985836842795 TCL: atom 1: phi = 1.21194321616 TCL: Center of mass = 27.2221161998 -2.12512557502 0.985881571271 TCL: atom 1: phi = 1.21238350415 TCL: Center of mass = 27.2233493719 -2.12569761817 0.985933469383 TCL: atom 1: phi = 1.21284926134 TCL: Center of mass = 27.224580357 -2.1262899861 0.986009665534 TCL: atom 1: phi = 1.21344707673 TCL: Center of mass = 27.2257939977 -2.1268490724 0.986072379057 TCL: atom 1: phi = 1.21393600779 TCL: Center of mass = 27.2269972156 -2.12737767413 0.986139639573 TCL: atom 1: phi = 1.21448439791 TCL: Center of mass = 27.2281606897 -2.1278785912 0.986217744631 TCL: atom 1: phi = 1.21492741321 TCL: Center of mass = 27.2293038292 -2.12834908073 0.986301051975 TCL: atom 1: phi = 1.21548601591 TCL: Center of mass = 27.230422408 -2.12880644018 0.986370765144 TCL: atom 1: phi = 1.21603140094 TCL: Center of mass = 27.2315177014 -2.12929661416 0.986423875857 TCL: atom 1: phi = 1.21681433895 TCL: Center of mass = 27.2326143957 -2.12981596267 0.986472270386 TCL: atom 1: phi = 1.21770273077 TCL: Center of mass = 27.2337217312 -2.13038425971 0.986510002927 TCL: atom 1: phi = 1.21881302377 TCL: Center of mass = 27.2348316325 -2.1309777556 0.98653359272 TCL: atom 1: phi = 1.21987085456 TCL: Center of mass = 27.2359716739 -2.13160096844 0.986548528632 TCL: atom 1: phi = 1.22100408065 TCL: Center of mass = 27.2371265821 -2.13221677151 0.986551027758 TCL: atom 1: phi = 1.22196788526 TCL: Center of mass = 27.2383051008 -2.13280958762 0.986539748769 TCL: atom 1: phi = 1.22292032317 TCL: Center of mass = 27.2394822375 -2.13333805833 0.986485883287 TCL: atom 1: phi = 1.22362176154 TCL: Center of mass = 27.2406783753 -2.13382632982 0.986411370886 TCL: atom 1: phi = 1.22437156491 TCL: Center of mass = 27.2418588075 -2.13428911837 0.986318707358 TCL: atom 1: phi = 1.22500590215 TCL: Center of mass = 27.2430359439 -2.13475891105 0.986217825428 TCL: atom 1: phi = 1.22583018187 TCL: Center of mass = 27.2442068185 -2.13522705178 0.98614353074 TCL: atom 1: phi = 1.22669032113 TCL: Center of mass = 27.2453819551 -2.13572954731 0.986083679187 TCL: atom 1: phi = 1.22772459787 TCL: Center of mass = 27.2465565815 -2.13622353668 0.986050695515 TCL: atom 1: phi = 1.22877663222 TCL: Center of mass = 27.2477415758 -2.13672465001 0.986054902148 TCL: atom 1: phi = 1.22986897818 TCL: Center of mass = 27.2489568319 -2.13719335586 0.986100983817 TCL: atom 1: phi = 1.23078053987 TCL: Center of mass = 27.2502162582 -2.13764448175 0.986180334758 TCL: atom 1: phi = 1.23161747749 TCL: Center of mass = 27.2515152001 -2.13806418591 0.986289315912 TCL: atom 1: phi = 1.23223165782 TCL: Center of mass = 27.2528375641 -2.13842638037 0.98644334674 TCL: atom 1: phi = 1.23281348728 TCL: Center of mass = 27.2541741051 -2.13876646383 0.986637514831 TCL: atom 1: phi = 1.23319179777 TCL: Center of mass = 27.255501129 -2.13909673755 0.986888463384 TCL: atom 1: phi = 1.23363267694 TCL: Center of mass = 27.2568104488 -2.13944083585 0.987158232475 TCL: atom 1: phi = 1.23403275923 TCL: Center of mass = 27.2581135427 -2.13978071296 0.987457260021 TCL: atom 1: phi = 1.23458587988 TCL: Center of mass = 27.2594036557 -2.14014056937 0.98779493407 TCL: atom 1: phi = 1.23507782232 TCL: Center of mass = 27.260696239 -2.14049630984 0.988167600827 TCL: atom 1: phi = 1.23560449205 TCL: Center of mass = 27.2619828959 -2.14083099557 0.988569841815 TCL: atom 1: phi = 1.23595393685 TCL: Center of mass = 27.2633017083 -2.14112589846 0.988983043352 TCL: atom 1: phi = 1.23619481588 TCL: Center of mass = 27.2646262187 -2.1413867725 0.989397495555 TCL: atom 1: phi = 1.23611104171 TCL: Center of mass = 27.2659747889 -2.14163894282 0.989771487142 TCL: atom 1: phi = 1.23593340261 TCL: Center of mass = 27.2673187534 -2.14186062477 0.990097421972 TCL: atom 1: phi = 1.23566428587 TCL: Center of mass = 27.2686609682 -2.14207426275 0.990405607088 TCL: atom 1: phi = 1.23553015785 TCL: Center of mass = 27.2699876486 -2.14231185411 0.990685071263 TCL: atom 1: phi = 1.23546011712 TCL: Center of mass = 27.2713191309 -2.14256068073 0.990955147558 TCL: atom 1: phi = 1.23571536511 TCL: Center of mass = 27.272639081 -2.14277693324 0.991209365562 TCL: atom 1: phi = 1.2361072739 WRITING COORDINATES TO DCD FILE AT STEP 19500 WRITING COORDINATES TO RESTART FILE AT STEP 19500 FINISHED WRITING RESTART COORDINATES TIMING: 19500 CPU: 1045.98, 0.0541118/step Wall: 1248.39, 0.0642753/step, 0.00892713 hours remaining, 13612 kB of memory in use. ENERGY: 19500 3450.6802 2542.7435 397.2439 40.1270 -44789.6872 4178.7984 0.0000 0.0000 9732.5235 -24447.5707 288.5116 -24299.1994 -24302.9249 290.5295 2181.6673 -331.1745 125000.0000 -244.8720 -256.6600 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19500 WRITING VELOCITIES TO RESTART FILE AT STEP 19500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 27.273963649 -2.14300179792 0.991466721125 TCL: atom 1: phi = 1.23676428372 TCL: Center of mass = 27.275273634 -2.14320177413 0.991718273258 TCL: atom 1: phi = 1.23740605565 TCL: Center of mass = 27.2765872219 -2.14338322898 0.991974180514 TCL: atom 1: phi = 1.23809814585 TCL: Center of mass = 27.2778804436 -2.14352844844 0.992251257641 TCL: atom 1: phi = 1.2386108985 TCL: Center of mass = 27.2791781072 -2.14366844706 0.992527354354 TCL: atom 1: phi = 1.23916128063 TCL: Center of mass = 27.2804674675 -2.14381006352 0.992823085792 TCL: atom 1: phi = 1.23960169308 TCL: Center of mass = 27.281759798 -2.14397845663 0.993101573864 TCL: atom 1: phi = 1.24020137261 TCL: Center of mass = 27.2830288486 -2.14420061361 0.993391175921 TCL: atom 1: phi = 1.24084196427 TCL: Center of mass = 27.2842993947 -2.14444669312 0.993699690455 TCL: atom 1: phi = 1.24177240513 TCL: Center of mass = 27.2855361091 -2.14470594948 0.994030873994 TCL: atom 1: phi = 1.24274810183 TCL: Center of mass = 27.2867777635 -2.144960728 0.99438041837 TCL: atom 1: phi = 1.24394033581 TCL: Center of mass = 27.2879869046 -2.14521579664 0.99476377337 TCL: atom 1: phi = 1.24493086691 TCL: Center of mass = 27.2892076128 -2.14544648613 0.995193292219 TCL: atom 1: phi = 1.24596369803 TCL: Center of mass = 27.29042454 -2.14565898622 0.995668989025 TCL: atom 1: phi = 1.24670961805 TCL: Center of mass = 27.2916634753 -2.14586800217 0.996163563498 TCL: atom 1: phi = 1.24732891909 TCL: Center of mass = 27.2929102171 -2.14608977503 0.996646371903 TCL: atom 1: phi = 1.24762754613 TCL: Center of mass = 27.294176969 -2.14632787957 0.997118012012 TCL: atom 1: phi = 1.24792348088 TCL: Center of mass = 27.2954532188 -2.1465948263 0.997568169241 TCL: atom 1: phi = 1.24806001542 TCL: Center of mass = 27.2967503287 -2.14686043487 0.998002034871 TCL: atom 1: phi = 1.24845704436 TCL: Center of mass = 27.2980447941 -2.14714260464 0.998404212549 TCL: atom 1: phi = 1.24880154792 TCL: Center of mass = 27.2993696607 -2.14740189899 0.99876936064 TCL: atom 1: phi = 1.24939920826 TCL: Center of mass = 27.3006875156 -2.14763074447 0.999103247656 TCL: atom 1: phi = 1.2498461544 TCL: Center of mass = 27.3020165467 -2.14782161459 0.999413314549 TCL: atom 1: phi = 1.25035571928 TCL: Center of mass = 27.3033498954 -2.14797449192 0.999708402679 TCL: atom 1: phi = 1.25058424028 TCL: Center of mass = 27.3047107824 -2.14809814405 0.999980196318 TCL: atom 1: phi = 1.25082425659 TCL: Center of mass = 27.3060320196 -2.1482039873 1.00020469921 TCL: atom 1: phi = 1.2507785792 TCL: Center of mass = 27.3073706737 -2.14833875688 1.00040124946 TCL: atom 1: phi = 1.25085468884 TCL: Center of mass = 27.3086807439 -2.14850628249 1.00054656229 TCL: atom 1: phi = 1.25076545024 TCL: Center of mass = 27.3100065544 -2.14869659927 1.0006601404 TCL: atom 1: phi = 1.25099058192 TCL: Center of mass = 27.3112986706 -2.14891606764 1.00074916709 TCL: atom 1: phi = 1.25114851679 TCL: Center of mass = 27.3125927397 -2.14915533943 1.00079465188 TCL: atom 1: phi = 1.25168380058 TCL: Center of mass = 27.3138559535 -2.14939545553 1.00081938178 TCL: atom 1: phi = 1.25204644934 TCL: Center of mass = 27.3151029076 -2.14962411465 1.00083465129 TCL: atom 1: phi = 1.25256602687 TCL: Center of mass = 27.3163067477 -2.14986610729 1.00084005029 TCL: atom 1: phi = 1.25277392419 TCL: Center of mass = 27.3175018587 -2.15011877537 1.0008554708 TCL: atom 1: phi = 1.25302546324 TCL: Center of mass = 27.3186405329 -2.15041983589 1.00087578794 TCL: atom 1: phi = 1.25283778838 TCL: Center of mass = 27.3197953453 -2.15077157627 1.00090799541 TCL: atom 1: phi = 1.25274487076 TCL: Center of mass = 27.3209034199 -2.15118665035 1.00095817877 TCL: atom 1: phi = 1.25240687352 TCL: Center of mass = 27.3220210716 -2.15161764639 1.00103048493 TCL: atom 1: phi = 1.25231519684 TCL: Center of mass = 27.323123519 -2.15207898268 1.00113392496 TCL: atom 1: phi = 1.25213407031 TCL: Center of mass = 27.3242524799 -2.15252557271 1.00126894929 TCL: atom 1: phi = 1.25232743213 TCL: Center of mass = 27.3253676055 -2.152964099 1.00142113665 TCL: atom 1: phi = 1.2524097065 TCL: Center of mass = 27.3264948024 -2.15337735697 1.001600959 TCL: atom 1: phi = 1.25269255261 TCL: Center of mass = 27.3275931717 -2.15378511002 1.00177785617 TCL: atom 1: phi = 1.25267687503 TCL: Center of mass = 27.3287011195 -2.15419322418 1.00194247135 TCL: atom 1: phi = 1.2527583079 TCL: Center of mass = 27.3297892622 -2.15461172289 1.00210249216 TCL: atom 1: phi = 1.25251002419 TCL: Center of mass = 27.3308942362 -2.15505236264 1.00229157198 TCL: atom 1: phi = 1.25250251521 TCL: Center of mass = 27.3319860604 -2.15550692945 1.00248050755 TCL: atom 1: phi = 1.25234459892 TCL: Center of mass = 27.333097136 -2.15596524563 1.00269385389 TCL: atom 1: phi = 1.25256209084 TCL: Center of mass = 27.3342023931 -2.15642733283 1.00292855984 TCL: atom 1: phi = 1.25274466799 TCL: Center of mass = 27.3353580378 -2.15688150375 1.00317648085 TCL: atom 1: phi = 1.2533574771 TCL: Center of mass = 27.3365059969 -2.15730437433 1.00340771149 TCL: atom 1: phi = 1.25379547618 TCL: Center of mass = 27.3376879389 -2.15768352894 1.00361797568 TCL: atom 1: phi = 1.25441634956 TCL: Center of mass = 27.338871056 -2.15803668541 1.00380328124 TCL: atom 1: phi = 1.25466600904 TCL: Center of mass = 27.3400520726 -2.15839832286 1.00398223419 TCL: atom 1: phi = 1.25491550114 TCL: Center of mass = 27.3411873063 -2.1587926034 1.00415280517 TCL: atom 1: phi = 1.25465846762 TCL: Center of mass = 27.3422869866 -2.15923041436 1.00433238765 TCL: atom 1: phi = 1.2543716374 TCL: Center of mass = 27.34333927 -2.15970174758 1.00453154889 TCL: atom 1: phi = 1.25368533258 TCL: Center of mass = 27.3443787613 -2.16020016188 1.0047761671 TCL: atom 1: phi = 1.25310859593 TCL: Center of mass = 27.3453761535 -2.16067463984 1.00506144405 TCL: atom 1: phi = 1.25234605753 TCL: Center of mass = 27.3463658495 -2.16112362784 1.00537521454 TCL: atom 1: phi = 1.25185061268 TCL: Center of mass = 27.3473363464 -2.16152422596 1.00570200599 TCL: atom 1: phi = 1.2511093448 TCL: Center of mass = 27.348329996 -2.1618800545 1.00602614978 TCL: atom 1: phi = 1.25053297325 TCL: Center of mass = 27.3492784932 -2.16218498361 1.00632591287 TCL: atom 1: phi = 1.24963475162 TCL: Center of mass = 27.3502109168 -2.16246664349 1.00658963762 TCL: atom 1: phi = 1.24883310838 TCL: Center of mass = 27.3510942435 -2.16274460365 1.00682802233 TCL: atom 1: phi = 1.24764511037 TCL: Center of mass = 27.3519747654 -2.16305355731 1.00708197089 TCL: atom 1: phi = 1.2465500774 TCL: Center of mass = 27.3528178852 -2.16338879857 1.00735639986 TCL: atom 1: phi = 1.24525463885 TCL: Center of mass = 27.3536651663 -2.16374128571 1.00764984454 TCL: atom 1: phi = 1.24423516044 TCL: Center of mass = 27.3545139971 -2.16410027629 1.00795566615 TCL: atom 1: phi = 1.24324144027 TCL: Center of mass = 27.3554027536 -2.16444133816 1.0082638757 TCL: atom 1: phi = 1.24267050028 TCL: Center of mass = 27.3562974131 -2.16476363155 1.00854533437 TCL: atom 1: phi = 1.2421437312 TCL: Center of mass = 27.3572225618 -2.16504222459 1.00879862035 TCL: atom 1: phi = 1.24189352454 TCL: Center of mass = 27.3581724427 -2.16529367242 1.00899929183 TCL: atom 1: phi = 1.24146914383 TCL: Center of mass = 27.3591433105 -2.16554435637 1.00914418163 TCL: atom 1: phi = 1.24116389438 TCL: Center of mass = 27.3601381624 -2.16582127188 1.00923834069 TCL: atom 1: phi = 1.24061411402 TCL: Center of mass = 27.3611407003 -2.16613603777 1.0093088744 TCL: atom 1: phi = 1.24011711994 TCL: Center of mass = 27.3621237788 -2.1665033258 1.00936599409 TCL: atom 1: phi = 1.23943957163 TCL: Center of mass = 27.3631192769 -2.16688450662 1.00942674799 TCL: atom 1: phi = 1.23886846615 TCL: Center of mass = 27.3641400252 -2.16725505157 1.00948144907 TCL: atom 1: phi = 1.23824084176 TCL: Center of mass = 27.3651880372 -2.16758524448 1.00956025422 TCL: atom 1: phi = 1.23784777272 TCL: Center of mass = 27.3662556027 -2.16785384787 1.00964878822 TCL: atom 1: phi = 1.23745297679 TCL: Center of mass = 27.3673639964 -2.16808700074 1.00975817749 TCL: atom 1: phi = 1.23726175508 TCL: Center of mass = 27.3684860795 -2.16828072262 1.00984590654 TCL: atom 1: phi = 1.23701718922 TCL: Center of mass = 27.3696517614 -2.16846662477 1.00995045699 TCL: atom 1: phi = 1.23696289144 TCL: Center of mass = 27.3708269923 -2.16863350302 1.0100307288 TCL: atom 1: phi = 1.2368106689 TCL: Center of mass = 27.3720021367 -2.16878946376 1.01010634916 TCL: atom 1: phi = 1.23688271518 TCL: Center of mass = 27.3731770159 -2.16894609575 1.01017697399 TCL: atom 1: phi = 1.23688529264 TCL: Center of mass = 27.3743385908 -2.16910260116 1.01026929057 TCL: atom 1: phi = 1.23711969631 TCL: Center of mass = 27.3755003238 -2.16923567293 1.01037349909 TCL: atom 1: phi = 1.2374084212 TCL: Center of mass = 27.3766782938 -2.16934678902 1.01052017635 TCL: atom 1: phi = 1.2380035759 TCL: Center of mass = 27.3778870098 -2.16942017455 1.01066659946 TCL: atom 1: phi = 1.2386591646 TCL: Center of mass = 27.3791238237 -2.16949810672 1.01080416032 TCL: atom 1: phi = 1.2395279367 TCL: Center of mass = 27.3804026354 -2.16958287566 1.01093157532 TCL: atom 1: phi = 1.24026939622 TCL: Center of mass = 27.381736278 -2.1696815203 1.01104483249 TCL: atom 1: phi = 1.24106001336 TCL: Center of mass = 27.3830952693 -2.16983030958 1.01108960102 TCL: atom 1: phi = 1.24155271394 TCL: Center of mass = 27.3844624693 -2.17005118116 1.01109315411 TCL: atom 1: phi = 1.24189496061 TCL: Center of mass = 27.3858423108 -2.17032151137 1.01103617784 TCL: atom 1: phi = 1.24184924723 TCL: Center of mass = 27.3872425005 -2.17059389208 1.01097198521 TCL: atom 1: phi = 1.24180012333 TCL: Center of mass = 27.3886501412 -2.17090961102 1.01083422387 TCL: atom 1: phi = 1.24143859531 WRITING COORDINATES TO DCD FILE AT STEP 19600 WRITING COORDINATES TO RESTART FILE AT STEP 19600 FINISHED WRITING RESTART COORDINATES TIMING: 19600 CPU: 1051.4, 0.0541718/step Wall: 1254.8, 0.0640436/step, 0.00711596 hours remaining, 13612 kB of memory in use. ENERGY: 19600 3457.4829 2517.7608 400.7419 37.5472 -44922.1119 4257.0754 0.0000 0.0000 9828.6931 -24422.8106 291.3625 -24276.8618 -24271.0615 291.3659 2462.0265 138.0883 125000.0000 13.2974 10.0852 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19600 WRITING VELOCITIES TO RESTART FILE AT STEP 19600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 27.3900819306 -2.17123929882 1.01069874679 TCL: atom 1: phi = 1.24121700482 TCL: Center of mass = 27.3915210015 -2.17158551853 1.0105177895 TCL: atom 1: phi = 1.24078654666 TCL: Center of mass = 27.3929800841 -2.17191927558 1.01034924602 TCL: atom 1: phi = 1.24047418679 TCL: Center of mass = 27.3944611358 -2.17223972599 1.01012360248 TCL: atom 1: phi = 1.23993385145 TCL: Center of mass = 27.3959713474 -2.17256765101 1.00990391257 TCL: atom 1: phi = 1.2394454532 TCL: Center of mass = 27.3974920993 -2.17289371402 1.00964388052 TCL: atom 1: phi = 1.23869461104 TCL: Center of mass = 27.3990337764 -2.17321205668 1.00938101234 TCL: atom 1: phi = 1.23794979192 TCL: Center of mass = 27.4005746363 -2.17353909986 1.0090774841 TCL: atom 1: phi = 1.2369236956 TCL: Center of mass = 27.4021064384 -2.17386787573 1.00878781127 TCL: atom 1: phi = 1.23600698299 TCL: Center of mass = 27.4036297968 -2.1741858263 1.0084968278 TCL: atom 1: phi = 1.23504884835 TCL: Center of mass = 27.4051579014 -2.17446945123 1.00823054872 TCL: atom 1: phi = 1.23434495113 TCL: Center of mass = 27.4066972629 -2.17471348749 1.00796443094 TCL: atom 1: phi = 1.23365786993 TCL: Center of mass = 27.4082441879 -2.17494084461 1.0077185499 TCL: atom 1: phi = 1.23323987939 TCL: Center of mass = 27.4097919962 -2.17514126397 1.00747515596 TCL: atom 1: phi = 1.23273025893 TCL: Center of mass = 27.4113630675 -2.17534145831 1.00725902443 TCL: atom 1: phi = 1.2323551476 TCL: Center of mass = 27.4129476935 -2.1755609362 1.00705283515 TCL: atom 1: phi = 1.23180465296 TCL: Center of mass = 27.4145636786 -2.17580223188 1.00685742409 TCL: atom 1: phi = 1.23138404474 TCL: Center of mass = 27.4161874744 -2.17603724689 1.00665195112 TCL: atom 1: phi = 1.23072962613 TCL: Center of mass = 27.4178550664 -2.17628089805 1.00645676245 TCL: atom 1: phi = 1.23018116414 TCL: Center of mass = 27.4195324073 -2.17649432443 1.00621917139 TCL: atom 1: phi = 1.22941170194 TCL: Center of mass = 27.4212086209 -2.17669172483 1.00597308893 TCL: atom 1: phi = 1.22881248453 TCL: Center of mass = 27.4228596476 -2.17686533303 1.00568355179 TCL: atom 1: phi = 1.2281000107 TCL: Center of mass = 27.4245063816 -2.17702445872 1.00535544284 TCL: atom 1: phi = 1.22764316649 TCL: Center of mass = 27.4261745226 -2.17717989726 1.00497535921 TCL: atom 1: phi = 1.22710742032 TCL: Center of mass = 27.4278605752 -2.17733571451 1.0046058183 TCL: atom 1: phi = 1.22676856623 TCL: Center of mass = 27.429543669 -2.17749669281 1.00420425543 TCL: atom 1: phi = 1.22626017222 TCL: Center of mass = 27.4312366659 -2.1776633271 1.00377968542 TCL: atom 1: phi = 1.22584172852 TCL: Center of mass = 27.4329430099 -2.17781908007 1.00331580567 TCL: atom 1: phi = 1.22525293705 TCL: Center of mass = 27.4346587444 -2.17797362933 1.00286835493 TCL: atom 1: phi = 1.22479880934 TCL: Center of mass = 27.4363737691 -2.17809579173 1.00239157166 TCL: atom 1: phi = 1.22424061517 TCL: Center of mass = 27.4381035563 -2.17820240418 1.00188341526 TCL: atom 1: phi = 1.22387631727 TCL: Center of mass = 27.4398330091 -2.17829562668 1.00133191275 TCL: atom 1: phi = 1.22349088516 TCL: Center of mass = 27.4415713564 -2.17839242736 1.00075794255 TCL: atom 1: phi = 1.22332708672 TCL: Center of mass = 27.4432743942 -2.1785030707 1.0001641774 TCL: atom 1: phi = 1.22307594426 TCL: Center of mass = 27.4449598125 -2.17862566979 0.999579302313 TCL: atom 1: phi = 1.22299918238 TCL: Center of mass = 27.4466357836 -2.17878326916 0.998994500863 TCL: atom 1: phi = 1.2227733376 TCL: Center of mass = 27.4483386876 -2.17896270351 0.998463806849 TCL: atom 1: phi = 1.22264025397 TCL: Center of mass = 27.4500198933 -2.17915055876 0.99796059157 TCL: atom 1: phi = 1.22233488514 TCL: Center of mass = 27.4517385274 -2.17931983298 0.997511303608 TCL: atom 1: phi = 1.22207993274 TCL: Center of mass = 27.4534649121 -2.17947902767 0.997082286178 TCL: atom 1: phi = 1.22163060305 TCL: Center of mass = 27.4552033016 -2.17959595007 0.996672321831 TCL: atom 1: phi = 1.22127341232 TCL: Center of mass = 27.4569334713 -2.17970458949 0.996228516709 TCL: atom 1: phi = 1.22076480217 TCL: Center of mass = 27.4586727374 -2.17983440532 0.995773015265 TCL: atom 1: phi = 1.22046158438 TCL: Center of mass = 27.4603761971 -2.17999854927 0.995262827423 TCL: atom 1: phi = 1.22008882225 TCL: Center of mass = 27.4620878528 -2.18021167343 0.994754972735 TCL: atom 1: phi = 1.21994081211 TCL: Center of mass = 27.4637916231 -2.18047087417 0.994228843305 TCL: atom 1: phi = 1.2196926533 TCL: Center of mass = 27.4654968338 -2.18077363624 0.993746435705 TCL: atom 1: phi = 1.21964774818 TCL: Center of mass = 27.467193906 -2.1811108156 0.99326771456 TCL: atom 1: phi = 1.21960658711 TCL: Center of mass = 27.4689162754 -2.18145939683 0.992810548526 TCL: atom 1: phi = 1.21978641325 TCL: Center of mass = 27.4706366498 -2.18178728651 0.992363842519 TCL: atom 1: phi = 1.21997101732 TCL: Center of mass = 27.4723886386 -2.18209897692 0.991953534662 TCL: atom 1: phi = 1.22043384127 TCL: Center of mass = 27.4741424871 -2.18240177983 0.991506631793 TCL: atom 1: phi = 1.22091953674 TCL: Center of mass = 27.4758996055 -2.18270196592 0.991063142898 TCL: atom 1: phi = 1.22171267547 TCL: Center of mass = 27.477632949 -2.18301963492 0.990589641562 TCL: atom 1: phi = 1.22257250337 TCL: Center of mass = 27.4793617711 -2.1833620702 0.990118255705 TCL: atom 1: phi = 1.2237255469 TCL: Center of mass = 27.481061235 -2.18372069732 0.989651119164 TCL: atom 1: phi = 1.22488860366 TCL: Center of mass = 27.4827718411 -2.18406823819 0.989246303802 TCL: atom 1: phi = 1.22620157062 TCL: Center of mass = 27.4844443907 -2.18437923284 0.988888926188 TCL: atom 1: phi = 1.22734531394 TCL: Center of mass = 27.4861454673 -2.18467108152 0.988598610106 TCL: atom 1: phi = 1.2284941809 TCL: Center of mass = 27.4878366928 -2.18492409821 0.988376367439 TCL: atom 1: phi = 1.22937473785 TCL: Center of mass = 27.4895715616 -2.18513186384 0.98818815528 TCL: atom 1: phi = 1.23030805973 TCL: Center of mass = 27.4913144772 -2.18528052849 0.988013359267 TCL: atom 1: phi = 1.23094044721 TCL: Center of mass = 27.4930678767 -2.18539101334 0.987817013761 TCL: atom 1: phi = 1.23162613258 TCL: Center of mass = 27.4947979218 -2.18549787454 0.987594245669 TCL: atom 1: phi = 1.23206431328 TCL: Center of mass = 27.4965120559 -2.18558984728 0.987339093557 TCL: atom 1: phi = 1.23260055143 TCL: Center of mass = 27.4981806777 -2.18569126164 0.987058254693 TCL: atom 1: phi = 1.23287183216 TCL: Center of mass = 27.4998230942 -2.18578964586 0.986786530051 TCL: atom 1: phi = 1.23319266512 TCL: Center of mass = 27.5014091767 -2.18590576008 0.986522674148 TCL: atom 1: phi = 1.23324154936 TCL: Center of mass = 27.502991634 -2.18601489014 0.986304112049 TCL: atom 1: phi = 1.23332314353 TCL: Center of mass = 27.5045444072 -2.18611936471 0.986133943142 TCL: atom 1: phi = 1.23313458107 TCL: Center of mass = 27.5061126224 -2.18621648378 0.986012952356 TCL: atom 1: phi = 1.23310359398 TCL: Center of mass = 27.5076557812 -2.18629238017 0.985898375442 TCL: atom 1: phi = 1.23290252185 TCL: Center of mass = 27.5092039398 -2.18637264301 0.985777223344 TCL: atom 1: phi = 1.23285327666 TCL: Center of mass = 27.510714811 -2.18646759414 0.985601833164 TCL: atom 1: phi = 1.2327112197 TCL: Center of mass = 27.5121977187 -2.18658946864 0.985383585314 TCL: atom 1: phi = 1.23279583836 TCL: Center of mass = 27.5136362183 -2.18673154207 0.985128159935 TCL: atom 1: phi = 1.23281691478 TCL: Center of mass = 27.5150422026 -2.18690285749 0.984856711023 TCL: atom 1: phi = 1.23298589361 TCL: Center of mass = 27.5164293468 -2.18708992546 0.984603081056 TCL: atom 1: phi = 1.23294814608 TCL: Center of mass = 27.5178267534 -2.18727430668 0.984381627608 TCL: atom 1: phi = 1.23295145529 TCL: Center of mass = 27.5191947138 -2.18744556078 0.984219030441 TCL: atom 1: phi = 1.23272877929 TCL: Center of mass = 27.5205847997 -2.18760586926 0.984107203207 TCL: atom 1: phi = 1.23243893868 TCL: Center of mass = 27.5219791744 -2.1877620338 0.984022188281 TCL: atom 1: phi = 1.23182575213 TCL: Center of mass = 27.5233980377 -2.187918313 0.983984644097 TCL: atom 1: phi = 1.23117622097 TCL: Center of mass = 27.5248389605 -2.1880730117 0.983944821906 TCL: atom 1: phi = 1.23023863119 TCL: Center of mass = 27.5263117127 -2.18822650773 0.983888029786 TCL: atom 1: phi = 1.22935638897 TCL: Center of mass = 27.5277867478 -2.18838674641 0.983829670454 TCL: atom 1: phi = 1.22822766428 TCL: Center of mass = 27.529291119 -2.18855690934 0.983775598666 TCL: atom 1: phi = 1.2270898309 TCL: Center of mass = 27.5307953067 -2.18871625219 0.983724324344 TCL: atom 1: phi = 1.22577809131 TCL: Center of mass = 27.5323336716 -2.18884978994 0.983703051966 TCL: atom 1: phi = 1.22447733311 TCL: Center of mass = 27.5338554249 -2.18897168419 0.983696010695 TCL: atom 1: phi = 1.22299971918 TCL: Center of mass = 27.5353910118 -2.18907871147 0.983742132314 TCL: atom 1: phi = 1.22156325374 TCL: Center of mass = 27.5369348205 -2.18920326641 0.983826450541 TCL: atom 1: phi = 1.22001443922 TCL: Center of mass = 27.5384882182 -2.18935123743 0.983936928524 TCL: atom 1: phi = 1.21864102542 TCL: Center of mass = 27.5400311272 -2.1895425585 0.984040072428 TCL: atom 1: phi = 1.21736354424 TCL: Center of mass = 27.5415998408 -2.18977893856 0.984114572454 TCL: atom 1: phi = 1.21633012452 TCL: Center of mass = 27.5431662592 -2.19004819004 0.984153811511 TCL: atom 1: phi = 1.21536323741 TCL: Center of mass = 27.5447419428 -2.19033570739 0.984155487361 TCL: atom 1: phi = 1.21467561646 TCL: Center of mass = 27.5463037079 -2.19061599579 0.984109353156 TCL: atom 1: phi = 1.21402964446 TCL: Center of mass = 27.5478810428 -2.19089149123 0.984029742261 TCL: atom 1: phi = 1.21351654534 TCL: Center of mass = 27.5494602635 -2.19114164446 0.983930830591 TCL: atom 1: phi = 1.21300268191 WRITING COORDINATES TO DCD FILE AT STEP 19700 WRITING COORDINATES TO RESTART FILE AT STEP 19700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19700 FINISHED WRITING RESTART VELOCITIES TIMING: 19700 CPU: 1056.82, 0.0542217/step Wall: 1261.24, 0.0644202/step, 0.00536835 hours remaining, 13612 kB of memory in use. ENERGY: 19700 3490.8007 2513.1064 397.3437 41.6591 -44956.4712 4231.2608 0.0000 0.0000 9846.6434 -24435.6573 291.8946 -24287.8083 -24289.6951 292.0495 2251.4339 -21.4303 125000.0000 -82.9849 -81.1019 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19700 TCL: Center of mass = 27.5510514742 -2.19138462489 0.98380565791 TCL: atom 1: phi = 1.21259019142 TCL: Center of mass = 27.5526055326 -2.19162980735 0.983682028336 TCL: atom 1: phi = 1.21209048704 TCL: Center of mass = 27.5541469948 -2.19187672458 0.983575920209 TCL: atom 1: phi = 1.21169342403 TCL: Center of mass = 27.5556675019 -2.19215819361 0.983464281627 TCL: atom 1: phi = 1.21127810538 TCL: Center of mass = 27.5571775833 -2.19245026768 0.983338436406 TCL: atom 1: phi = 1.21097523759 TCL: Center of mass = 27.5586732752 -2.19274025899 0.983180041595 TCL: atom 1: phi = 1.21064832993 TCL: Center of mass = 27.560172914 -2.19301997482 0.982992024095 TCL: atom 1: phi = 1.2104392429 TCL: Center of mass = 27.5616589669 -2.19327944761 0.982768212137 TCL: atom 1: phi = 1.21022340529 TCL: Center of mass = 27.5631383967 -2.19350494197 0.982524747571 TCL: atom 1: phi = 1.21006602223 TCL: Center of mass = 27.5645801134 -2.19370015205 0.982264173173 TCL: atom 1: phi = 1.20982741043 TCL: Center of mass = 27.5660101829 -2.19386552375 0.982009741722 TCL: atom 1: phi = 1.20961570439 TCL: Center of mass = 27.5674135063 -2.19402552414 0.981744543245 TCL: atom 1: phi = 1.20935188987 TCL: Center of mass = 27.5687971918 -2.19418075244 0.981493865435 TCL: atom 1: phi = 1.20924631829 TCL: Center of mass = 27.5701598501 -2.19435630967 0.981246759067 TCL: atom 1: phi = 1.20921837102 TCL: Center of mass = 27.5715413502 -2.19456977283 0.981037346356 TCL: atom 1: phi = 1.20939438534 TCL: Center of mass = 27.5729199698 -2.1948091851 0.980827196466 TCL: atom 1: phi = 1.20965857864 TCL: Center of mass = 27.5743165175 -2.19506521212 0.980642473485 TCL: atom 1: phi = 1.21007544142 TCL: Center of mass = 27.5757367095 -2.19533982108 0.980464189841 TCL: atom 1: phi = 1.21047361156 TCL: Center of mass = 27.5771972964 -2.19561712738 0.980298797388 TCL: atom 1: phi = 1.21097125615 TCL: Center of mass = 27.5786612838 -2.19592112212 0.98013151722 TCL: atom 1: phi = 1.21138749943 TCL: Center of mass = 27.5801303887 -2.19622872847 0.979947858735 TCL: atom 1: phi = 1.21184180126 TCL: Center of mass = 27.5815899301 -2.19659001478 0.979755024469 TCL: atom 1: phi = 1.21215058773 TCL: Center of mass = 27.5830618247 -2.19700369524 0.979583506193 TCL: atom 1: phi = 1.21250292235 TCL: Center of mass = 27.5844814743 -2.19745525014 0.979379917853 TCL: atom 1: phi = 1.21274121076 TCL: Center of mass = 27.5859085181 -2.19793912741 0.979155148592 TCL: atom 1: phi = 1.21304682266 TCL: Center of mass = 27.587323943 -2.19846166573 0.978898221658 TCL: atom 1: phi = 1.21328112912 TCL: Center of mass = 27.5887616377 -2.19898571636 0.978645216833 TCL: atom 1: phi = 1.21353367152 TCL: Center of mass = 27.590185597 -2.19947745747 0.978378898616 TCL: atom 1: phi = 1.21372337058 TCL: Center of mass = 27.5916400118 -2.19991539194 0.978095985405 TCL: atom 1: phi = 1.21394368154 TCL: Center of mass = 27.5930872442 -2.20030846089 0.977785889839 TCL: atom 1: phi = 1.21405430123 TCL: Center of mass = 27.5945506023 -2.20066708251 0.977451457804 TCL: atom 1: phi = 1.21420532471 TCL: Center of mass = 27.5959768133 -2.20100523603 0.977085089831 TCL: atom 1: phi = 1.2142164206 TCL: Center of mass = 27.5973899861 -2.20133467013 0.97668444045 TCL: atom 1: phi = 1.21435165273 TCL: Center of mass = 27.5987528964 -2.20163874918 0.976265856991 TCL: atom 1: phi = 1.21435753092 TCL: Center of mass = 27.6001071887 -2.20193987314 0.97585215104 TCL: atom 1: phi = 1.21460472976 TCL: Center of mass = 27.6014087679 -2.20222578069 0.975449922076 TCL: atom 1: phi = 1.21484004741 TCL: Center of mass = 27.6027235163 -2.20251461092 0.975098530618 TCL: atom 1: phi = 1.21532034349 TCL: Center of mass = 27.6040258172 -2.20280516357 0.974793302099 TCL: atom 1: phi = 1.21580241595 TCL: Center of mass = 27.6053682324 -2.20307424069 0.974535110778 TCL: atom 1: phi = 1.21644987719 TCL: Center of mass = 27.606707956 -2.20331897987 0.97432169167 TCL: atom 1: phi = 1.21712282495 TCL: Center of mass = 27.608072496 -2.20354731474 0.974142222253 TCL: atom 1: phi = 1.21791956792 TCL: Center of mass = 27.6094315 -2.20379285344 0.973970477718 TCL: atom 1: phi = 1.2186426094 TCL: Center of mass = 27.6107850927 -2.20406559641 0.973805549295 TCL: atom 1: phi = 1.21943610348 TCL: Center of mass = 27.6121338182 -2.20437227099 0.973626932197 TCL: atom 1: phi = 1.22004405934 TCL: Center of mass = 27.6134777499 -2.20471399007 0.973450247518 TCL: atom 1: phi = 1.22073521599 TCL: Center of mass = 27.6147958899 -2.20507754373 0.973265767839 TCL: atom 1: phi = 1.22123297266 TCL: Center of mass = 27.6161314248 -2.20546798845 0.973088324436 TCL: atom 1: phi = 1.22184613023 TCL: Center of mass = 27.6174624564 -2.20586655631 0.972958365702 TCL: atom 1: phi = 1.2222992743 TCL: Center of mass = 27.6188409521 -2.20626065239 0.972886202288 TCL: atom 1: phi = 1.2228263903 TCL: Center of mass = 27.6202292015 -2.2066467399 0.972849910493 TCL: atom 1: phi = 1.22307611707 TCL: Center of mass = 27.6216354651 -2.20699497027 0.972829693938 TCL: atom 1: phi = 1.22328737136 TCL: Center of mass = 27.6230315015 -2.20737515476 0.972803068474 TCL: atom 1: phi = 1.22317093295 TCL: Center of mass = 27.6244353513 -2.20776085558 0.972747390582 TCL: atom 1: phi = 1.2230299542 TCL: Center of mass = 27.6258108001 -2.20816174034 0.972645741388 TCL: atom 1: phi = 1.22259137052 TCL: Center of mass = 27.6271700568 -2.2085529595 0.972516055699 TCL: atom 1: phi = 1.22221866831 TCL: Center of mass = 27.628458383 -2.20893973752 0.972376041865 TCL: atom 1: phi = 1.22167396661 TCL: Center of mass = 27.6297082352 -2.20930259274 0.972221725025 TCL: atom 1: phi = 1.22120400963 TCL: Center of mass = 27.6309225496 -2.209646247 0.972117408443 TCL: atom 1: phi = 1.22060351993 TCL: Center of mass = 27.6321244716 -2.20996939627 0.972041224499 TCL: atom 1: phi = 1.22012371558 TCL: Center of mass = 27.6332954348 -2.21026619172 0.972006626905 TCL: atom 1: phi = 1.21950921609 TCL: Center of mass = 27.6344707545 -2.21054823007 0.971997389216 TCL: atom 1: phi = 1.21901797493 TCL: Center of mass = 27.6356418065 -2.21084312954 0.972009939116 TCL: atom 1: phi = 1.21833047123 TCL: Center of mass = 27.636842378 -2.21114164241 0.972021836039 TCL: atom 1: phi = 1.21775481103 TCL: Center of mass = 27.6380359352 -2.21147178914 0.972040632424 TCL: atom 1: phi = 1.21704752667 TCL: Center of mass = 27.6392494471 -2.21183644558 0.972049403473 TCL: atom 1: phi = 1.2164747314 TCL: Center of mass = 27.6404288622 -2.21220543713 0.972077142959 TCL: atom 1: phi = 1.21589732835 TCL: Center of mass = 27.6416134947 -2.21258820216 0.972122782685 TCL: atom 1: phi = 1.2155599593 TCL: Center of mass = 27.6427709432 -2.21296689362 0.972214475067 TCL: atom 1: phi = 1.21516752965 TCL: Center of mass = 27.6439398262 -2.21332522557 0.972346931236 TCL: atom 1: phi = 1.21500338493 TCL: Center of mass = 27.6450891921 -2.21367688925 0.972537491247 TCL: atom 1: phi = 1.2147575366 TCL: Center of mass = 27.6462585096 -2.21403808377 0.972754288379 TCL: atom 1: phi = 1.21479929241 TCL: Center of mass = 27.6474361885 -2.21436500847 0.973017988671 TCL: atom 1: phi = 1.21477425808 TCL: Center of mass = 27.6486389804 -2.2146840157 0.973297881718 TCL: atom 1: phi = 1.21498539932 TCL: Center of mass = 27.6498311153 -2.21500249106 0.973594872354 TCL: atom 1: phi = 1.21516488722 TCL: Center of mass = 27.6510446602 -2.21530393075 0.973870568886 TCL: atom 1: phi = 1.21564123301 TCL: Center of mass = 27.6522355391 -2.21560299393 0.974108001348 TCL: atom 1: phi = 1.21608995885 TCL: Center of mass = 27.6534227369 -2.21587807326 0.974303805107 TCL: atom 1: phi = 1.21685411984 TCL: Center of mass = 27.6545387533 -2.21609823825 0.974486604701 TCL: atom 1: phi = 1.21762864255 TCL: Center of mass = 27.6556251004 -2.21628470167 0.974646267223 TCL: atom 1: phi = 1.21858919152 TCL: Center of mass = 27.6566583517 -2.2164706576 0.974786758926 TCL: atom 1: phi = 1.21937655787 TCL: Center of mass = 27.6576570558 -2.21665296619 0.974921911187 TCL: atom 1: phi = 1.22019217791 TCL: Center of mass = 27.6586275774 -2.21684726224 0.975046025352 TCL: atom 1: phi = 1.22077707354 TCL: Center of mass = 27.6595995997 -2.21705852066 0.975154443438 TCL: atom 1: phi = 1.22140564894 TCL: Center of mass = 27.6605737609 -2.21730586586 0.975259689652 TCL: atom 1: phi = 1.22179157 TCL: Center of mass = 27.6615655186 -2.21757077297 0.975367756838 TCL: atom 1: phi = 1.22227325261 TCL: Center of mass = 27.6625511869 -2.21786810665 0.975480976231 TCL: atom 1: phi = 1.22263003703 TCL: Center of mass = 27.6635661748 -2.21819938842 0.975618240053 TCL: atom 1: phi = 1.22315770814 TCL: Center of mass = 27.6645932823 -2.21853632905 0.975752897413 TCL: atom 1: phi = 1.22355694182 TCL: Center of mass = 27.665640874 -2.21886710367 0.975908328674 TCL: atom 1: phi = 1.2240612554 TCL: Center of mass = 27.6666996543 -2.21921548812 0.976076739605 TCL: atom 1: phi = 1.22431115771 TCL: Center of mass = 27.6677692629 -2.21956546745 0.976264811172 TCL: atom 1: phi = 1.22460665004 TCL: Center of mass = 27.6688128878 -2.21991790985 0.976467854471 TCL: atom 1: phi = 1.22470218403 TCL: Center of mass = 27.6698712339 -2.22027955539 0.976727178131 TCL: atom 1: phi = 1.2249527541 TCL: Center of mass = 27.6709420216 -2.2206454933 0.977020883629 TCL: atom 1: phi = 1.22508358146 TCL: Center of mass = 27.672050238 -2.22099476833 0.977384004941 TCL: atom 1: phi = 1.22544074899 TCL: Center of mass = 27.6731776529 -2.2213289688 0.977762263739 TCL: atom 1: phi = 1.22574283908 TCL: Center of mass = 27.6743345719 -2.22163682853 0.978166521725 TCL: atom 1: phi = 1.22630601584 TCL: Center of mass = 27.6754957989 -2.22189638049 0.978580401517 TCL: atom 1: phi = 1.22681927233 TCL: Center of mass = 27.6766588931 -2.22211545186 0.978977755761 TCL: atom 1: phi = 1.22751285118 TCL: Center of mass = 27.6777919673 -2.2222927713 0.979330626245 TCL: atom 1: phi = 1.22810679497 TIMING: 19800 CPU: 1062.23, 0.0540918/step Wall: 1267.62, 0.0637613/step, 0.00354229 hours remaining, 13612 kB of memory in use. ENERGY: 19800 3470.8803 2493.9019 405.6413 43.1749 -44857.1405 4141.7084 0.0000 0.0000 9873.7340 -24428.0997 292.6977 -24281.4000 -24280.0803 292.1119 1757.6490 -485.9120 125000.0000 -297.3695 -292.6351 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19800 WRITING COORDINATES TO DCD FILE AT STEP 19800 WRITING COORDINATES TO RESTART FILE AT STEP 19800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 27.6788891589 -2.22244188795 0.97966098969 TCL: atom 1: phi = 1.22882531763 TCL: Center of mass = 27.6799464798 -2.22254678059 0.979944784162 TCL: atom 1: phi = 1.22936731798 TCL: Center of mass = 27.6809873019 -2.2226074306 0.980208819883 TCL: atom 1: phi = 1.23000930448 TCL: Center of mass = 27.6820085038 -2.22263204184 0.980453995548 TCL: atom 1: phi = 1.23048122658 TCL: Center of mass = 27.6830266508 -2.22262548583 0.98069048011 TCL: atom 1: phi = 1.23104680397 TCL: Center of mass = 27.6840456885 -2.22259725191 0.980923333208 TCL: atom 1: phi = 1.23149173337 TCL: Center of mass = 27.6850815008 -2.22255097996 0.981173563678 TCL: atom 1: phi = 1.23203010273 TCL: Center of mass = 27.6861083078 -2.22249991447 0.981401531159 TCL: atom 1: phi = 1.23241140047 TCL: Center of mass = 27.6871168758 -2.22248481474 0.981618111299 TCL: atom 1: phi = 1.23284719866 TCL: Center of mass = 27.6881157946 -2.22250213065 0.981789947191 TCL: atom 1: phi = 1.23307410062 TCL: Center of mass = 27.6890978014 -2.22257494447 0.981942510181 TCL: atom 1: phi = 1.23333695257 TCL: Center of mass = 27.6900451131 -2.22267647922 0.982040141734 TCL: atom 1: phi = 1.23341261403 TCL: Center of mass = 27.6909683801 -2.22281688329 0.982143635451 TCL: atom 1: phi = 1.23355345909 TCL: Center of mass = 27.691877779 -2.22298899201 0.982256091427 TCL: atom 1: phi = 1.23357444614 TCL: Center of mass = 27.6927777317 -2.22315846115 0.982417640727 TCL: atom 1: phi = 1.23382011968 TCL: Center of mass = 27.693684698 -2.22334115342 0.982621592147 TCL: atom 1: phi = 1.23404547773 TCL: Center of mass = 27.6945981876 -2.22352472967 0.982870628254 TCL: atom 1: phi = 1.23450525319 TCL: Center of mass = 27.6955209551 -2.22369827347 0.983140827415 TCL: atom 1: phi = 1.23490556103 TCL: Center of mass = 27.696477984 -2.22384927338 0.983453649094 TCL: atom 1: phi = 1.23549678625 TCL: Center of mass = 27.6974444695 -2.22400103892 0.983743540215 TCL: atom 1: phi = 1.23597707346 TCL: Center of mass = 27.6984205503 -2.22414212334 0.984014921358 TCL: atom 1: phi = 1.2366207849 TCL: Center of mass = 27.6993914469 -2.22427369101 0.984222869734 TCL: atom 1: phi = 1.23710852426 TCL: Center of mass = 27.7003596204 -2.2243948688 0.98440301618 TCL: atom 1: phi = 1.23773535497 TCL: Center of mass = 27.701329334 -2.22448990155 0.984538518331 TCL: atom 1: phi = 1.23819314176 TCL: Center of mass = 27.702305518 -2.2245551811 0.984677805442 TCL: atom 1: phi = 1.23883390609 TCL: Center of mass = 27.7032887429 -2.22457361666 0.984806134631 TCL: atom 1: phi = 1.23932879218 TCL: Center of mass = 27.7042915585 -2.22454384078 0.984965244956 TCL: atom 1: phi = 1.23993682484 TCL: Center of mass = 27.7053076174 -2.22449171516 0.985139426918 TCL: atom 1: phi = 1.2403397647 TCL: Center of mass = 27.7063481498 -2.22441834128 0.985325844879 TCL: atom 1: phi = 1.24088144565 TCL: Center of mass = 27.7074080562 -2.2243501994 0.98550591737 TCL: atom 1: phi = 1.24117380856 TCL: Center of mass = 27.7084813855 -2.22430333094 0.985660816979 TCL: atom 1: phi = 1.24153085144 TCL: Center of mass = 27.7095473357 -2.22427446823 0.985761362529 TCL: atom 1: phi = 1.24161702471 TCL: Center of mass = 27.7106361082 -2.2242482461 0.985819776363 TCL: atom 1: phi = 1.24179286146 TCL: Center of mass = 27.7116860269 -2.22423913066 0.985827098726 TCL: atom 1: phi = 1.24173759522 TCL: Center of mass = 27.7127149669 -2.2242366382 0.985811079108 TCL: atom 1: phi = 1.24184344987 TCL: Center of mass = 27.7137485171 -2.22425586199 0.98576451985 TCL: atom 1: phi = 1.24183261628 TCL: Center of mass = 27.7147996012 -2.22428783456 0.985751593632 TCL: atom 1: phi = 1.24202350591 TCL: Center of mass = 27.7158462276 -2.22433216446 0.98577230501 TCL: atom 1: phi = 1.24212620955 TCL: Center of mass = 27.716890137 -2.22436559649 0.985841584843 TCL: atom 1: phi = 1.24245779763 TCL: Center of mass = 27.7179206395 -2.22442341262 0.985932452703 TCL: atom 1: phi = 1.24269691011 TCL: Center of mass = 27.7189390391 -2.22449594807 0.986041271124 TCL: atom 1: phi = 1.24311222644 TCL: Center of mass = 27.7199250919 -2.22458874708 0.986146158506 TCL: atom 1: phi = 1.24332905632 TCL: Center of mass = 27.7208954312 -2.22464797067 0.986241392617 TCL: atom 1: phi = 1.24367530291 TCL: Center of mass = 27.7218443997 -2.22468092457 0.98628324247 TCL: atom 1: phi = 1.24383449128 TCL: Center of mass = 27.7227734047 -2.22469221081 0.986308956002 TCL: atom 1: phi = 1.24418011207 TCL: Center of mass = 27.7236783646 -2.22464450639 0.986310242855 TCL: atom 1: phi = 1.2444498702 TCL: Center of mass = 27.7245854321 -2.22456064089 0.98632132275 TCL: atom 1: phi = 1.24492538681 TCL: Center of mass = 27.7254699702 -2.22444255953 0.986345840224 TCL: atom 1: phi = 1.24523873967 TCL: Center of mass = 27.726379954 -2.22430301831 0.986390048587 TCL: atom 1: phi = 1.2456659329 TCL: Center of mass = 27.727292657 -2.22414454704 0.986463404203 TCL: atom 1: phi = 1.24585741521 TCL: Center of mass = 27.7282367442 -2.22398266019 0.986548674359 TCL: atom 1: phi = 1.24603604036 TCL: Center of mass = 27.7291772512 -2.22382999474 0.986641182525 TCL: atom 1: phi = 1.24595081482 TCL: Center of mass = 27.7301374543 -2.22368757544 0.986704173496 TCL: atom 1: phi = 1.24594849287 TCL: Center of mass = 27.7310906139 -2.22355435458 0.986743570555 TCL: atom 1: phi = 1.24569507467 TCL: Center of mass = 27.7320519632 -2.22340107323 0.986764650305 TCL: atom 1: phi = 1.24558165896 TCL: Center of mass = 27.7329987548 -2.22324230043 0.986775103469 TCL: atom 1: phi = 1.24538631444 TCL: Center of mass = 27.7339548543 -2.22307773214 0.986768403558 TCL: atom 1: phi = 1.24541226201 TCL: Center of mass = 27.7348834164 -2.22292031803 0.986731458564 TCL: atom 1: phi = 1.2454075699 TCL: Center of mass = 27.7358117954 -2.22275686007 0.98671981876 TCL: atom 1: phi = 1.24566019979 TCL: Center of mass = 27.7367178838 -2.22263626395 0.986730287872 TCL: atom 1: phi = 1.24581886383 TCL: Center of mass = 27.737612036 -2.222559171 0.986772390701 TCL: atom 1: phi = 1.2461546381 TCL: Center of mass = 27.7384807905 -2.22250628736 0.986849980452 TCL: atom 1: phi = 1.24633649536 TCL: Center of mass = 27.7393720562 -2.22247046289 0.986958354315 TCL: atom 1: phi = 1.24675213135 TCL: Center of mass = 27.7402649791 -2.22245385341 0.987081457819 TCL: atom 1: phi = 1.24707742997 TCL: Center of mass = 27.7411836224 -2.22244261809 0.987235819917 TCL: atom 1: phi = 1.24764174992 TCL: Center of mass = 27.7420611346 -2.22244180707 0.987391373283 TCL: atom 1: phi = 1.24813109573 TCL: Center of mass = 27.7429233686 -2.2224367317 0.987556387101 TCL: atom 1: phi = 1.24885424017 TCL: Center of mass = 27.7437349537 -2.22242675483 0.987677852511 TCL: atom 1: phi = 1.24947474668 TCL: Center of mass = 27.7445144017 -2.22240841068 0.987786411633 TCL: atom 1: phi = 1.25022530927 TCL: Center of mass = 27.7452486847 -2.22239483296 0.987879906743 TCL: atom 1: phi = 1.2507588845 TCL: Center of mass = 27.7459813348 -2.22238369173 0.987973561693 TCL: atom 1: phi = 1.25134766896 TCL: Center of mass = 27.7467057359 -2.22239023388 0.988072226158 TCL: atom 1: phi = 1.25163562164 TCL: Center of mass = 27.7474485845 -2.22238542321 0.988196772679 TCL: atom 1: phi = 1.2519903779 TCL: Center of mass = 27.7482007843 -2.22238543713 0.988308408096 TCL: atom 1: phi = 1.25204880179 TCL: Center of mass = 27.7489778043 -2.22236923749 0.988427749153 TCL: atom 1: phi = 1.25220537852 TCL: Center of mass = 27.749779963 -2.22236115954 0.988516970829 TCL: atom 1: phi = 1.25224194821 TCL: Center of mass = 27.750579587 -2.22235977219 0.988587412778 TCL: atom 1: phi = 1.25247093376 TCL: Center of mass = 27.7513529789 -2.22236093115 0.988635817006 TCL: atom 1: phi = 1.25258054177 TCL: Center of mass = 27.7521024857 -2.22236198888 0.988625985963 TCL: atom 1: phi = 1.25289133831 TCL: Center of mass = 27.7528108052 -2.22238601578 0.988578639527 TCL: atom 1: phi = 1.25296415051 TCL: Center of mass = 27.753497471 -2.22243192515 0.988512828417 TCL: atom 1: phi = 1.2532179635 TCL: Center of mass = 27.7541695452 -2.22248604247 0.988429904652 TCL: atom 1: phi = 1.25326257587 TCL: Center of mass = 27.754844415 -2.22254532129 0.988376893849 TCL: atom 1: phi = 1.25346739571 TCL: Center of mass = 27.7555191998 -2.22261261851 0.988349822226 TCL: atom 1: phi = 1.25347770076 TCL: Center of mass = 27.7562370933 -2.22267102545 0.988347877616 TCL: atom 1: phi = 1.25369819709 TCL: Center of mass = 27.756976031 -2.22271785338 0.98836197585 TCL: atom 1: phi = 1.25383217045 TCL: Center of mass = 27.7577443992 -2.2227575244 0.988392753476 TCL: atom 1: phi = 1.25419013947 TCL: Center of mass = 27.758516191 -2.22279166093 0.988418506457 TCL: atom 1: phi = 1.25447774483 TCL: Center of mass = 27.7593057728 -2.22281449795 0.988427387916 TCL: atom 1: phi = 1.25495453394 TCL: Center of mass = 27.7600694215 -2.22282220612 0.988401486097 TCL: atom 1: phi = 1.25525671461 TCL: Center of mass = 27.7608082971 -2.2228123772 0.988375873116 TCL: atom 1: phi = 1.25566898106 TCL: Center of mass = 27.7615245937 -2.22279147404 0.988331950704 TCL: atom 1: phi = 1.25584342885 TCL: Center of mass = 27.7622347589 -2.22275651249 0.988309955133 TCL: atom 1: phi = 1.25613160959 TCL: Center of mass = 27.7629511476 -2.22270687075 0.988317372077 TCL: atom 1: phi = 1.25621069413 TCL: Center of mass = 27.7637176072 -2.22263650954 0.98836010832 TCL: atom 1: phi = 1.25638873394 TCL: Center of mass = 27.7645272575 -2.2225643963 0.988467266345 TCL: atom 1: phi = 1.25640407052 TCL: Center of mass = 27.7653980266 -2.22249783983 0.988593332107 TCL: atom 1: phi = 1.25661281066 TCL: Center of mass = 27.766317117 -2.22245188215 0.988723356935 TCL: atom 1: phi = 1.2566656613 TCL: Center of mass = 27.7672709035 -2.22244991818 0.988851307113 TCL: atom 1: phi = 1.25680715104 TCL: Center of mass = 27.7682280221 -2.22248939398 0.98894889185 TCL: atom 1: phi = 1.256687594 TIMING: 19900 CPU: 1067.64, 0.0541618/step Wall: 1274.07, 0.0645433/step, 0.00179287 hours remaining, 13612 kB of memory in use. ENERGY: 19900 3476.8991 2461.7654 394.9328 33.5886 -44888.4514 4194.5824 0.0000 0.0000 9841.4695 -24485.2135 291.7412 -24336.6933 -24341.9029 292.3573 2052.1023 -163.9922 125000.0000 -263.9086 -263.7363 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19900 WRITING COORDINATES TO DCD FILE AT STEP 19900 WRITING COORDINATES TO RESTART FILE AT STEP 19900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 27.7691877116 -2.22255290337 0.989024084943 TCL: atom 1: phi = 1.25668824556 TCL: Center of mass = 27.7701399599 -2.22264424234 0.989062639112 TCL: atom 1: phi = 1.25642998575 TCL: Center of mass = 27.7711139343 -2.22274170991 0.989083394487 TCL: atom 1: phi = 1.25626546242 TCL: Center of mass = 27.772079652 -2.2228464275 0.989083083126 TCL: atom 1: phi = 1.255846426 TCL: Center of mass = 27.7730786356 -2.22295661488 0.989080316528 TCL: atom 1: phi = 1.25556865642 TCL: Center of mass = 27.7740928617 -2.22307602994 0.989062692153 TCL: atom 1: phi = 1.25518956602 TCL: Center of mass = 27.7751733208 -2.22321107537 0.989068639876 TCL: atom 1: phi = 1.25498348466 TCL: Center of mass = 27.7762788716 -2.22336451425 0.989048588928 TCL: atom 1: phi = 1.25470248589 TCL: Center of mass = 27.7774284406 -2.22353944407 0.989029398674 TCL: atom 1: phi = 1.25454109413 TCL: Center of mass = 27.7785746887 -2.22374017061 0.988979268101 TCL: atom 1: phi = 1.25423746463 TCL: Center of mass = 27.7797472935 -2.22393476215 0.988892943242 TCL: atom 1: phi = 1.25403682091 TCL: Center of mass = 27.7808987635 -2.22411231364 0.988730340505 TCL: atom 1: phi = 1.25362266718 TCL: Center of mass = 27.7820437115 -2.22425198084 0.98851512607 TCL: atom 1: phi = 1.25331247597 TCL: Center of mass = 27.7831487276 -2.22434853038 0.988247509902 TCL: atom 1: phi = 1.25285750012 TCL: Center of mass = 27.7842485797 -2.22436705823 0.987975580656 TCL: atom 1: phi = 1.25254580899 TCL: Center of mass = 27.7853427981 -2.22436382306 0.987684080411 TCL: atom 1: phi = 1.25215186124 TCL: Center of mass = 27.7864508609 -2.22434188106 0.987413469771 TCL: atom 1: phi = 1.2519756743 TCL: Center of mass = 27.7875719771 -2.22433330728 0.987135123191 TCL: atom 1: phi = 1.25172317838 TCL: Center of mass = 27.7887097114 -2.22436896652 0.986892541554 TCL: atom 1: phi = 1.25171142092 TCL: Center of mass = 27.7898508888 -2.22445910319 0.986666234767 TCL: atom 1: phi = 1.25162561195 TCL: Center of mass = 27.7910198181 -2.22456907274 0.986454737169 TCL: atom 1: phi = 1.25174763444 TCL: Center of mass = 27.7921726789 -2.22471081735 0.986249213277 TCL: atom 1: phi = 1.25178645422 TCL: Center of mass = 27.7933230409 -2.22486747807 0.986039737965 TCL: atom 1: phi = 1.25204979141 TCL: Center of mass = 27.7944624339 -2.22503688466 0.985853216055 TCL: atom 1: phi = 1.25223624509 TCL: Center of mass = 27.79559438 -2.22520191671 0.985689638054 TCL: atom 1: phi = 1.25265717651 TCL: Center of mass = 27.7967055806 -2.22539207984 0.98557151289 TCL: atom 1: phi = 1.25309559199 TCL: Center of mass = 27.7978181053 -2.22559761877 0.985519640752 TCL: atom 1: phi = 1.25386571957 TCL: Center of mass = 27.7989454826 -2.22584760769 0.985476850776 TCL: atom 1: phi = 1.25462676235 TCL: Center of mass = 27.8001124482 -2.22612548355 0.985473996885 TCL: atom 1: phi = 1.25564838895 TCL: Center of mass = 27.801297285 -2.22644041876 0.985482834484 TCL: atom 1: phi = 1.25658903344 TCL: Center of mass = 27.8025288884 -2.22673934347 0.98551363817 TCL: atom 1: phi = 1.25775208558 TCL: Center of mass = 27.8037802354 -2.22704457012 0.985547022572 TCL: atom 1: phi = 1.2587760886 TCL: Center of mass = 27.8050444877 -2.22732417007 0.985566196034 TCL: atom 1: phi = 1.25995523456 TCL: Center of mass = 27.8062829296 -2.22755096354 0.985565459881 TCL: atom 1: phi = 1.26101027856 TCL: Center of mass = 27.8075370664 -2.2277433155 0.985549867638 TCL: atom 1: phi = 1.26225490833 TCL: Center of mass = 27.8087542843 -2.22786628082 0.9854929479 TCL: atom 1: phi = 1.26338201367 TCL: Center of mass = 27.8099484889 -2.22793773514 0.985410121578 TCL: atom 1: phi = 1.2646231031 TCL: Center of mass = 27.8111197558 -2.22797142709 0.985319886426 TCL: atom 1: phi = 1.26568291212 TCL: Center of mass = 27.8123113772 -2.22798159508 0.985219312147 TCL: atom 1: phi = 1.26688951814 TCL: Center of mass = 27.8135089562 -2.22796691642 0.98511245289 TCL: atom 1: phi = 1.26789322254 TCL: Center of mass = 27.8147357062 -2.22793192112 0.985048335095 TCL: atom 1: phi = 1.26900327583 TCL: Center of mass = 27.8159653626 -2.22788417977 0.984983386089 TCL: atom 1: phi = 1.2699675304 TCL: Center of mass = 27.8172204438 -2.22781701237 0.984931894 TCL: atom 1: phi = 1.27106898896 TCL: Center of mass = 27.8184670578 -2.22773938313 0.984859999939 TCL: atom 1: phi = 1.27202934444 TCL: Center of mass = 27.8197416558 -2.22766758692 0.984789363699 TCL: atom 1: phi = 1.27312349973 TCL: Center of mass = 27.8209911537 -2.22761488326 0.984705991412 TCL: atom 1: phi = 1.27405263973 TCL: Center of mass = 27.822237152 -2.22759474698 0.984628258337 TCL: atom 1: phi = 1.27514651063 TCL: Center of mass = 27.8234567016 -2.22760475422 0.984551434424 TCL: atom 1: phi = 1.2760990218 TCL: Center of mass = 27.8246734615 -2.22766188769 0.984487213454 TCL: atom 1: phi = 1.27720574908 TCL: Center of mass = 27.8258942318 -2.22778169513 0.984430181988 TCL: atom 1: phi = 1.27816329778 TCL: Center of mass = 27.8271398799 -2.22792900491 0.984422270328 TCL: atom 1: phi = 1.27927274314 TCL: Center of mass = 27.8284076758 -2.2280893922 0.984413567729 TCL: atom 1: phi = 1.28021066443 TCL: Center of mass = 27.829707678 -2.22824268793 0.984430683573 TCL: atom 1: phi = 1.28124711024 TCL: Center of mass = 27.8310285842 -2.22839544146 0.984423444283 TCL: atom 1: phi = 1.28204179553 TCL: Center of mass = 27.8323900312 -2.22852995995 0.98440371587 TCL: atom 1: phi = 1.28289206381 TCL: Center of mass = 27.8337325198 -2.22864229273 0.984337780196 TCL: atom 1: phi = 1.28349923755 TCL: Center of mass = 27.8350728621 -2.22873440119 0.984255303598 TCL: atom 1: phi = 1.28417468389 TCL: Center of mass = 27.8363922172 -2.22881084257 0.984139929929 TCL: atom 1: phi = 1.28461445602 TCL: Center of mass = 27.8377033998 -2.22885127906 0.98399460008 TCL: atom 1: phi = 1.28517154731 TCL: Center of mass = 27.8389689832 -2.22884816744 0.98379261227 TCL: atom 1: phi = 1.28552851159 TCL: Center of mass = 27.8402606538 -2.22881531156 0.98358189023 TCL: atom 1: phi = 1.28603353945 TCL: Center of mass = 27.8415606533 -2.22872623063 0.983348101455 TCL: atom 1: phi = 1.28640332347 TCL: Center of mass = 27.8428926147 -2.22859894686 0.983110966717 TCL: atom 1: phi = 1.28698062608 TCL: Center of mass = 27.8442438866 -2.22844602196 0.982860908167 TCL: atom 1: phi = 1.28741561045 TCL: Center of mass = 27.8456405521 -2.22826289769 0.982618518509 TCL: atom 1: phi = 1.28802795777 TCL: Center of mass = 27.8470573961 -2.2280762634 0.9823507778 TCL: atom 1: phi = 1.28850625187 TCL: Center of mass = 27.8484970613 -2.22787972552 0.982078836379 TCL: atom 1: phi = 1.28912499712 TCL: Center of mass = 27.8499349134 -2.22771476006 0.981784271674 TCL: atom 1: phi = 1.28957106248 TCL: Center of mass = 27.8513916796 -2.22757713564 0.981491554139 TCL: atom 1: phi = 1.29011990138 TCL: Center of mass = 27.8528416119 -2.22745374838 0.981184367854 TCL: atom 1: phi = 1.29050825207 TCL: Center of mass = 27.8542933309 -2.2273445427 0.980889223694 TCL: atom 1: phi = 1.2910646795 TCL: Center of mass = 27.8557343123 -2.22725076338 0.980611127402 TCL: atom 1: phi = 1.29143989842 TCL: Center of mass = 27.8571986226 -2.22715060127 0.980375666742 TCL: atom 1: phi = 1.29188796384 TCL: Center of mass = 27.8586512942 -2.22705648012 0.98015521775 TCL: atom 1: phi = 1.29214797008 TCL: Center of mass = 27.8601560723 -2.22698202844 0.979953334501 TCL: atom 1: phi = 1.29254222177 TCL: Center of mass = 27.8616719718 -2.22695113048 0.979772115125 TCL: atom 1: phi = 1.29274337218 TCL: Center of mass = 27.8631899131 -2.22693685738 0.979588000283 TCL: atom 1: phi = 1.29296337739 TCL: Center of mass = 27.8646895495 -2.22694241264 0.979394223082 TCL: atom 1: phi = 1.29295000042 TCL: Center of mass = 27.8661849505 -2.22694051693 0.979189815963 TCL: atom 1: phi = 1.29297967257 TCL: Center of mass = 27.8676521156 -2.22693243103 0.97899965437 TCL: atom 1: phi = 1.29280334821 TCL: Center of mass = 27.8691164161 -2.22687814849 0.978822327134 TCL: atom 1: phi = 1.29273025945 TCL: Center of mass = 27.8705588662 -2.22676097254 0.978613331709 TCL: atom 1: phi = 1.29258586728 TCL: Center of mass = 27.8720171606 -2.22657877343 0.978395996045 TCL: atom 1: phi = 1.29258400537 TCL: Center of mass = 27.8734742509 -2.22637008802 0.978154255613 TCL: atom 1: phi = 1.29248410045 TCL: Center of mass = 27.8749687525 -2.22611486886 0.977928800554 TCL: atom 1: phi = 1.29254291748 TCL: Center of mass = 27.8764864332 -2.22586320014 0.977706611945 TCL: atom 1: phi = 1.29255598776 TCL: Center of mass = 27.8780445105 -2.22560620415 0.977493799547 TCL: atom 1: phi = 1.29271807573 TCL: Center of mass = 27.8796194843 -2.22537004716 0.977267485112 TCL: atom 1: phi = 1.29278525287 TCL: Center of mass = 27.8812053189 -2.22514190173 0.977038492305 TCL: atom 1: phi = 1.29298276514 TCL: Center of mass = 27.8828089295 -2.22490382302 0.976818011207 TCL: atom 1: phi = 1.29312775761 TCL: Center of mass = 27.8844253093 -2.22463902917 0.976604498326 TCL: atom 1: phi = 1.29334171717 TCL: Center of mass = 27.8860030827 -2.22435522338 0.976387061851 TCL: atom 1: phi = 1.29348848139 TCL: Center of mass = 27.887558031 -2.2240454458 0.976177730316 TCL: atom 1: phi = 1.29383534602 TCL: Center of mass = 27.8891054373 -2.22373126057 0.975991325428 TCL: atom 1: phi = 1.29416518222 TCL: Center of mass = 27.8906471984 -2.22340730028 0.975848501513 TCL: atom 1: phi = 1.29464484897 TCL: Center of mass = 27.8921966467 -2.22313248179 0.975725890941 TCL: atom 1: phi = 1.29507566577 TCL: Center of mass = 27.8937740677 -2.22289187933 0.975629805054 TCL: atom 1: phi = 1.29556959631 TCL: Center of mass = 27.8953772837 -2.2227166801 0.975553283117 TCL: atom 1: phi = 1.29593997759 TCL: Center of mass = 27.8970303778 -2.22261128272 0.975493235042 TCL: atom 1: phi = 1.29631017 TIMING: 20000 CPU: 1073, 0.0535619/step Wall: 1280.46, 0.0639/step, 0 hours remaining, 13612 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 20000 3432.8433 2464.6840 393.6692 43.0948 -44734.2307 4073.4055 0.0000 0.0000 9876.3439 -24450.1900 292.7750 -24302.4050 -24304.9043 291.5866 1924.8959 -274.2264 125000.0000 -285.7263 -290.2045 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 20000 WRITING COORDINATES TO DCD FILE AT STEP 20000 WRITING COORDINATES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 20000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 20000 CLOSING COORDINATE DCD FILE WRITING VELOCITIES TO OUTPUT FILE AT STEP 20000 ========================================== WallClock: 1282.757080 CPUTime: 1074.706665 Memory: 13612 kB