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 ST