Charm++: standalone mode (not using charmrun) Info: NAMD 2.6b1 for Linux-amd64 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 Kale et al., J. Comp. Phys. 151:283-312 (1999) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 50900 for net-linux-amd64-iccstatic Info: Built Fri Jul 29 11:31:55 CDT 2005 by jim on tijuana.ks.uiuc.edu Info: Sending usage information to NAMD developers via UDP. Sent data is: Info: 1 NAMD 2.6b1 Linux-amd64 1 tbgl-sun2.physics.uiuc.edu david Info: Running on 1 processors. Info: 8547 kB of memory in use. Info: Configuration file is rot-a-new.namd TCL: Suspending until startup complete. Info: EXTENDED SYSTEM FILE ../common/push-eq-2.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 1 Info: NUMBER OF STEPS 20000 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 40 0 0 Info: PERIODIC CELL BASIS 2 0 40 0 Info: PERIODIC CELL BASIS 3 0 0 40 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/push-eq-2.restart.vel Info: CENTER OF MASS MOVING? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 SCALE FACTOR 1 Info: DCD FILENAME rot-a-new.dcd Info: DCD FREQUENCY 100 Info: DCD FIRST STEP 100 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME rot-a-new.xst Info: XST FREQUENCY 100 Info: NO VELOCITY DCD OUTPUT Info: OUTPUT FILENAME rot-a-new Info: BINARY OUTPUT FILES WILL BE USED Info: RESTART FILENAME rot-a-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: TIMING OUTPUT STEPS 100 Info: TCL GLOBAL FORCES ACTIVE Info: TCL GLOBAL FORCES SCRIPT rot-a-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 32 32 32 Info: Attempting to read FFTW data from FFTW_NAMD_2.6b1_Linux-amd64.txt Info: Optimizing 6 FFT steps. 1... 2... 3... 4... 5... 6... Done. Info: Writing FFTW data to FFTW_NAMD_2.6b1_Linux-amd64.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 1163565554 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB ../common/ubiquitin.pdb Info: STRUCTURE FILE ../common/ubiquitin.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/push-eq-2.restart.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: 168 VDW Info: 0 VDW_PAIRS Info: **************************** Info: STRUCTURE SUMMARY: Info: 1231 ATOMS Info: 1237 BONDS Info: 2257 ANGLES Info: 3293 DIHEDRALS Info: 204 IMPROPERS Info: 0 EXCLUSIONS Info: 3693 DEGREES OF FREEDOM Info: 602 HYDROGEN GROUPS Info: TOTAL MASS = 8564.87 amu Info: TOTAL CHARGE = 1.0021e-06 e Info: ***************************** Info: Entering startup phase 0 with 9497 kB of memory in use. Info: Entering startup phase 1 with 9498 kB of memory in use. Info: Entering startup phase 2 with 9846 kB of memory in use. Info: Entering startup phase 3 with 9856 kB of memory in use. Info: PATCH GRID IS 1 (PERIODIC) BY 1 (PERIODIC) BY 1 (PERIODIC) Info: REMOVING COM VELOCITY -0.225899 -0.0745307 0.014046 Info: LARGEST PATCH (0) HAS 1231 ATOMS Info: Entering startup phase 4 with 10011 kB of memory in use. Info: PME using 1 and 1 processors for FFT and reciprocal sum. Info: PME GRID LOCATIONS: 0 Info: PME TRANS LOCATIONS: 0 Info: Optimizing 4 FFT steps. 1... 2... 3... 4... Done. Info: Entering startup phase 5 with 10152 kB of memory in use. Info: Entering startup phase 6 with 10152 kB of memory in use. Measuring processor speeds... Done. Info: Entering startup phase 7 with 10153 kB of memory in use. Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625 Info: NONBONDED TABLE SIZE: 769 POINTS Info: ABSOLUTE IMPRECISION IN VDWA TABLE ENERGY: 2 AT 0.0441942 Info: RELATIVE IMPRECISION IN VDWA TABLE ENERGY: 1.26461e-15 AT 0.0441942 Info: ABSOLUTE IMPRECISION IN VDWA TABLE FORCE: 16384 AT 0.0441942 Info: RELATIVE IMPRECISION IN VDWA TABLE FORCE: 5.05845e-15 AT 0.0441942 TCL: Specific linear acceleration imparted: (3 0 0) Ang*ps^-2*amu^-1 TCL: Specific angular acceleration imparted: (0 0 0.1) Rad*ps^-2*amu^-1 Info: Entering startup phase 8 with 11698 kB of memory in use. Info: Finished startup with 11954 kB of memory in use. TCL: Center of mass = -0.666914525229 0.355205722306 -0.99339980022 TCL: atom 1: phi = -0.548549234857 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 390.1468 670.1841 418.5585 40.3619 -2727.5999 -239.5843 0.0000 0.0000 1057.1499 -390.7830 288.1029 -382.0657 -382.0657 288.1029 276.4711 46.2704 64000.0000 276.4711 46.2704 OPENING EXTENDED SYSTEM TRAJECTORY FILE TCL: Center of mass = -0.66691302589 0.355205719977 -0.993399802395 TCL: atom 1: phi = -0.549822250437 TCL: Center of mass = -0.666894218124 0.355190822774 -0.99338601219 TCL: atom 1: phi = -0.550697416154 TCL: Center of mass = -0.666873988395 0.355172151212 -0.993375375635 TCL: atom 1: phi = -0.551750723959 TCL: Center of mass = -0.666857157288 0.355151545718 -0.993360278618 TCL: atom 1: phi = -0.552355772434 TCL: Center of mass = -0.666829817565 0.355133361155 -0.993342352472 TCL: atom 1: phi = -0.553057438258 TCL: Center of mass = -0.666800272767 0.355118284478 -0.993336352626 TCL: atom 1: phi = -0.553285838561 TCL: Center of mass = -0.666763232317 0.355104596835 -0.993319138746 TCL: atom 1: phi = -0.553632304214 TCL: Center of mass = -0.666728773982 0.355088536793 -0.993306761263 TCL: atom 1: phi = -0.553577204288 TCL: Center of mass = -0.66668655693 0.355060772603 -0.99329830782 TCL: atom 1: phi = -0.553700979551 TCL: Center of mass = -0.666645940442 0.355035939843 -0.993296626663 TCL: atom 1: phi = -0.553549780932 TCL: Center of mass = -0.666601832591 0.355008228965 -0.993311161475 TCL: atom 1: phi = -0.553671680562 TCL: Center of mass = -0.666550909102 0.354983178395 -0.993335425161 TCL: atom 1: phi = -0.553594435854 TCL: Center of mass = -0.666484094262 0.35496215753 -0.993362647284 TCL: atom 1: phi = -0.553798517354 TCL: Center of mass = -0.666409906565 0.354953434043 -0.993386049981 TCL: atom 1: phi = -0.55383509801 TCL: Center of mass = -0.6663252181 0.354950848866 -0.993418738996 TCL: atom 1: phi = -0.554196605285 TCL: Center of mass = -0.666228012746 0.354959060622 -0.993448780495 TCL: atom 1: phi = -0.554317118344 TCL: Center of mass = -0.666119666014 0.354960046805 -0.993469938371 TCL: atom 1: phi = -0.554795428881 TCL: Center of mass = -0.665999418542 0.354965387727 -0.993485183369 TCL: atom 1: phi = -0.555045442391 TCL: Center of mass = -0.66586594038 0.354975055059 -0.993497408605 TCL: atom 1: phi = -0.555553242454 TCL: Center of mass = -0.665726428161 0.35498466508 -0.993516236361 TCL: atom 1: phi = -0.55578992777 TCL: Center of mass = -0.665577435454 0.35499431194 -0.993528746059 TCL: atom 1: phi = -0.556214112653 TCL: Center of mass = -0.665423401365 0.354991213889 -0.99354926495 TCL: atom 1: phi = -0.556338623783 TCL: Center of mass = -0.665271114281 0.354979700958 -0.993581134368 TCL: atom 1: phi = -0.556562605307 TCL: Center of mass = -0.665115188881 0.354971254927 -0.993637225439 TCL: atom 1: phi = -0.556429268539 TCL: Center of mass = -0.664956467806 0.354970388699 -0.993692134136 TCL: atom 1: phi = -0.556391477784 TCL: Center of mass = -0.664789189817 0.354958925627 -0.993749851957 TCL: atom 1: phi = -0.555963708971 TCL: Center of mass = -0.664618221771 0.354945198378 -0.993815336213 TCL: atom 1: phi = -0.555685404327 TCL: Center of mass = -0.664449420477 0.354919602338 -0.99388184258 TCL: atom 1: phi = -0.555086079305 TCL: Center of mass = -0.664283382101 0.354908203012 -0.993945350803 TCL: atom 1: phi = -0.55479459058 TCL: Center of mass = -0.664129153021 0.35489901287 -0.993999462372 TCL: atom 1: phi = -0.554311374484 TCL: Center of mass = -0.663977836523 0.354888614877 -0.994062670842 TCL: atom 1: phi = -0.55427284432 TCL: Center of mass = -0.663827827378 0.354879926414 -0.994131226938 TCL: atom 1: phi = -0.554044684681 TCL: Center of mass = -0.663677035613 0.354865517125 -0.994206034708 TCL: atom 1: phi = -0.554229211855 TCL: Center of mass = -0.663521225975 0.354845415159 -0.994291053052 TCL: atom 1: phi = -0.554218503487 TCL: Center of mass = -0.663368091619 0.354835363456 -0.994362276258 TCL: atom 1: phi = -0.554626433458 TCL: Center of mass = -0.663226678653 0.354823173104 -0.994430193156 TCL: atom 1: phi = -0.554851541966 TCL: Center of mass = -0.663084276411 0.354802883391 -0.994503728056 TCL: atom 1: phi = -0.555475249105 TCL: Center of mass = -0.662936731199 0.35478260708 -0.994576394455 TCL: atom 1: phi = -0.555979405539 TCL: Center of mass = -0.662788161226 0.354754374526 -0.994646475979 TCL: atom 1: phi = -0.556862616163 TCL: Center of mass = -0.66263842691 0.354717765184 -0.994703611971 TCL: atom 1: phi = -0.557539175652 TCL: Center of mass = -0.662486089382 0.354684129936 -0.994764377417 TCL: atom 1: phi = -0.558594280523 TCL: Center of mass = -0.662337398618 0.354651124802 -0.994823957096 TCL: atom 1: phi = -0.559259369295 TCL: Center of mass = -0.662183679762 0.354620540356 -0.994876787103 TCL: atom 1: phi = -0.560096707925 TCL: Center of mass = -0.662026970108 0.354584112499 -0.994938178388 TCL: atom 1: phi = -0.560485548224 TCL: Center of mass = -0.661863123202 0.354558106418 -0.994995290987 TCL: atom 1: phi = -0.561011636621 TCL: Center of mass = -0.661691328104 0.354529660779 -0.995054837677 TCL: atom 1: phi = -0.561175715901 TCL: Center of mass = -0.661522773603 0.354494896018 -0.995108444256 TCL: atom 1: phi = -0.561567537479 TCL: Center of mass = -0.661346764268 0.354461811362 -0.995151541393 TCL: atom 1: phi = -0.561689818966 TCL: Center of mass = -0.661179017318 0.354436350681 -0.995200006859 TCL: atom 1: phi = -0.562100519918 TCL: Center of mass = -0.661008948959 0.354413204507 -0.995256685048 TCL: atom 1: phi = -0.562358653765 TCL: Center of mass = -0.660836182637 0.35439412478 -0.995307095019 TCL: atom 1: phi = -0.562958617964 TCL: Center of mass = -0.66066314374 0.354374182588 -0.995360768142 TCL: atom 1: phi = -0.563395457983 TCL: Center of mass = -0.660493107941 0.354360101463 -0.995424651144 TCL: atom 1: phi = -0.564152577201 TCL: Center of mass = -0.660303616662 0.354347173609 -0.995491543808 TCL: atom 1: phi = -0.564658915883 TCL: Center of mass = -0.66011368721 0.354329906312 -0.995557294409 TCL: atom 1: phi = -0.565411612503 TCL: Center of mass = -0.659923996169 0.354313169086 -0.995628033007 TCL: atom 1: phi = -0.565923888349 TCL: Center of mass = -0.659723165615 0.354305527259 -0.995702392422 TCL: atom 1: phi = -0.566615717968 TCL: Center of mass = -0.659500470953 0.354287952994 -0.995766512264 TCL: atom 1: phi = -0.567105586163 TCL: Center of mass = -0.659262695316 0.354274243099 -0.99583740366 TCL: atom 1: phi = -0.567792286492 TCL: Center of mass = -0.65900988381 0.354264621134 -0.99588522944 TCL: atom 1: phi = -0.568236711548 TCL: Center of mass = -0.658747952121 0.35425096335 -0.995936871634 TCL: atom 1: phi = -0.568857632469 TCL: Center of mass = -0.658473111133 0.354234163374 -0.995976433778 TCL: atom 1: phi = -0.569149903201 TCL: Center of mass = -0.658180704483 0.354210763372 -0.996014533951 TCL: atom 1: phi = -0.569483633686 TCL: Center of mass = -0.657895354167 0.35418109153 -0.996045200585 TCL: atom 1: phi = -0.569433580337 TCL: Center of mass = -0.657606404235 0.354157472212 -0.996076615175 TCL: atom 1: phi = -0.569400687169 TCL: Center of mass = -0.657315424384 0.35414464604 -0.996113866214 TCL: atom 1: phi = -0.568923434048 TCL: Center of mass = -0.657019914263 0.354127573379 -0.996160446014 TCL: atom 1: phi = -0.568501442626 TCL: Center of mass = -0.656714314848 0.354104436258 -0.996207794726 TCL: atom 1: phi = -0.567817961096 TCL: Center of mass = -0.656408380455 0.354079386928 -0.996243711274 TCL: atom 1: phi = -0.567390096557 TCL: Center of mass = -0.656091297793 0.354056410568 -0.996275107123 TCL: atom 1: phi = -0.566925921553 TCL: Center of mass = -0.655760891257 0.354041277352 -0.996293859624 TCL: atom 1: phi = -0.566808159993 TCL: Center of mass = -0.655431774822 0.354027831463 -0.996302934415 TCL: atom 1: phi = -0.56659625642 TCL: Center of mass = -0.655105044126 0.354008112371 -0.996314973724 TCL: atom 1: phi = -0.566743550077 TCL: Center of mass = -0.654766388252 0.353988727281 -0.99632406949 TCL: atom 1: phi = -0.566760045472 TCL: Center of mass = -0.654432079708 0.35396759373 -0.996336142669 TCL: atom 1: phi = -0.567030650051 TCL: Center of mass = -0.654100707719 0.353944581647 -0.996348198352 TCL: atom 1: phi = -0.567047890586 TCL: Center of mass = -0.653757282273 0.35392554504 -0.996354222849 TCL: atom 1: phi = -0.567309318192 TCL: Center of mass = -0.653419151346 0.353904795667 -0.996365688893 TCL: atom 1: phi = -0.567413867455 TCL: Center of mass = -0.653084952422 0.353887654313 -0.996381076038 TCL: atom 1: phi = -0.567744993853 TCL: Center of mass = -0.652750179476 0.35386643407 -0.996396742451 TCL: atom 1: phi = -0.567917570459 TCL: Center of mass = -0.652413409166 0.353844700873 -0.996408765877 TCL: atom 1: phi = -0.56840001257 TCL: Center of mass = -0.652079722019 0.353833595541 -0.996411575353 TCL: atom 1: phi = -0.568586440199 TCL: Center of mass = -0.651742136655 0.353830963392 -0.996409051272 TCL: atom 1: phi = -0.568885825034 TCL: Center of mass = -0.651396135795 0.353817843996 -0.996401813542 TCL: atom 1: phi = -0.56878137734 TCL: Center of mass = -0.651054418796 0.353802870034 -0.996392900068 TCL: atom 1: phi = -0.568774040281 TCL: Center of mass = -0.650722978876 0.353796523179 -0.996376723145 TCL: atom 1: phi = -0.568350214996 TCL: Center of mass = -0.650395105804 0.353785052826 -0.996364944216 TCL: atom 1: phi = -0.568105110895 TCL: Center of mass = -0.650068091032 0.353767560802 -0.996357582415 TCL: atom 1: phi = -0.567475549115 TCL: Center of mass = -0.649746245016 0.353754650627 -0.996352438304 TCL: atom 1: phi = -0.567187414066 TCL: Center of mass = -0.649425411387 0.353738541355 -0.996343431295 TCL: atom 1: phi = -0.566747305826 TCL: Center of mass = -0.649095012706 0.353720221205 -0.996340962609 TCL: atom 1: phi = -0.566805529402 TCL: Center of mass = -0.648753737386 0.353704840354 -0.996341329762 TCL: atom 1: phi = -0.566771378958 TCL: Center of mass = -0.648396367743 0.353694066484 -0.996331377678 TCL: atom 1: phi = -0.567260234708 TCL: Center of mass = -0.648034185458 0.353683108204 -0.996333516174 TCL: atom 1: phi = -0.567576556349 TCL: Center of mass = -0.647668798799 0.353667623968 -0.996337324588 TCL: atom 1: phi = -0.568225521264 TCL: Center of mass = -0.647298051809 0.35365661598 -0.996348672861 TCL: atom 1: phi = -0.568537605834 TCL: Center of mass = -0.646916374861 0.353651132965 -0.996373870929 TCL: atom 1: phi = -0.569128455181 TCL: Center of mass = -0.646537012113 0.353647497964 -0.996402537129 TCL: atom 1: phi = -0.569346055389 TCL: Center of mass = -0.646162573247 0.353641250581 -0.996424486944 TCL: atom 1: phi = -0.569758850392 TCL: Center of mass = -0.6457662797 0.353630646521 -0.996447687169 TCL: atom 1: phi = -0.569860749303 Info: Initial time: 1 CPUs 0.207394 s/step 2.4004 days/ns 19894 kB memory TIMING: 100 CPU: 17.7073, 0.174254/step Wall: 21.0211, 0.207399/step, 1.14646 hours remaining, 19894 kB of memory in use. ENERGY: 100 393.3435 675.9655 419.5738 36.9623 -2778.2526 -208.1245 0.0000 0.0000 1077.3393 -383.1927 293.6051 -374.9337 -373.1604 284.8305 -23.8483 272.9963 64000.0000 -88.5551 -89.8004 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 = -0.645372132385 0.353618976564 -0.996469830811 TCL: atom 1: phi = -0.570132903411 TCL: Center of mass = -0.644982162332 0.353617401811 -0.996486957782 TCL: atom 1: phi = -0.569980019377 TCL: Center of mass = -0.644587171294 0.353612500745 -0.996500817854 TCL: atom 1: phi = -0.569891529374 TCL: Center of mass = -0.644189731811 0.353609798349 -0.996505777323 TCL: atom 1: phi = -0.569309453297 TCL: Center of mass = -0.643800909635 0.353597271507 -0.996501838939 TCL: atom 1: phi = -0.568717638008 TCL: Center of mass = -0.643403817554 0.353592585741 -0.996502280658 TCL: atom 1: phi = -0.567589677636 TCL: Center of mass = -0.643000202857 0.353596306428 -0.99649819081 TCL: atom 1: phi = -0.566527937175 TCL: Center of mass = -0.642586719151 0.353602740925 -0.996502570804 TCL: atom 1: phi = -0.565075007623 TCL: Center of mass = -0.642168735369 0.353611409261 -0.99650043834 TCL: atom 1: phi = -0.563923006606 TCL: Center of mass = -0.641751746314 0.353618840323 -0.996502793866 TCL: atom 1: phi = -0.562680016913 TCL: Center of mass = -0.641332060885 0.353618896241 -0.996497136818 TCL: atom 1: phi = -0.562037116831 TCL: Center of mass = -0.640914612754 0.353620437587 -0.996498304441 TCL: atom 1: phi = -0.561432173017 TCL: Center of mass = -0.640474008249 0.353627846355 -0.996505163784 TCL: atom 1: phi = -0.561490294195 TCL: Center of mass = -0.64003528389 0.353648504977 -0.996504417574 TCL: atom 1: phi = -0.561526549735 TCL: Center of mass = -0.639598601619 0.353668135122 -0.996504022945 TCL: atom 1: phi = -0.562052172216 TCL: Center of mass = -0.639164665058 0.353692504666 -0.99650920992 TCL: atom 1: phi = -0.562378404156 TCL: Center of mass = -0.638737175515 0.353711927627 -0.996528860032 TCL: atom 1: phi = -0.56305649158 TCL: Center of mass = -0.638320253609 0.353726593718 -0.996544741583 TCL: atom 1: phi = -0.563458595873 TCL: Center of mass = -0.637904139317 0.35373407882 -0.996560118063 TCL: atom 1: phi = -0.564228527969 TCL: Center of mass = -0.63747993076 0.353734122949 -0.996567683832 TCL: atom 1: phi = -0.56478336823 TCL: Center of mass = -0.637051348856 0.353729223447 -0.99657675254 TCL: atom 1: phi = -0.565789834797 TCL: Center of mass = -0.636615098322 0.353735082887 -0.996583482403 TCL: atom 1: phi = -0.56662900083 TCL: Center of mass = -0.636176043741 0.35374270822 -0.996590541577 TCL: atom 1: phi = -0.567797878936 TCL: Center of mass = -0.635729246797 0.35376148977 -0.996599207364 TCL: atom 1: phi = -0.56860443642 TCL: Center of mass = -0.635285108787 0.353776872458 -0.996612566886 TCL: atom 1: phi = -0.569553962813 TCL: Center of mass = -0.634843911113 0.353788477303 -0.996634096958 TCL: atom 1: phi = -0.570054206017 TCL: Center of mass = -0.634421348185 0.353798418586 -0.996647140926 TCL: atom 1: phi = -0.570588096532 TCL: Center of mass = -0.633999504098 0.353814783333 -0.996659426873 TCL: atom 1: phi = -0.570706934444 TCL: Center of mass = -0.633564365863 0.353823676336 -0.996679488982 TCL: atom 1: phi = -0.570977356043 TCL: Center of mass = -0.63311212382 0.353830583498 -0.996705663011 TCL: atom 1: phi = -0.571006933214 TCL: Center of mass = -0.632655839676 0.3538245991 -0.996740759884 TCL: atom 1: phi = -0.571368215942 TCL: Center of mass = -0.63218964537 0.353809942126 -0.996776523352 TCL: atom 1: phi = -0.571628596067 TCL: Center of mass = -0.63172144149 0.353795603791 -0.996808006124 TCL: atom 1: phi = -0.572265086192 TCL: Center of mass = -0.63125284441 0.353788290983 -0.996829443521 TCL: atom 1: phi = -0.572733816153 TCL: Center of mass = -0.630787761594 0.35376857737 -0.996846141498 TCL: atom 1: phi = -0.573465834439 TCL: Center of mass = -0.630311965938 0.353753921908 -0.996864973221 TCL: atom 1: phi = -0.573929571599 TCL: Center of mass = -0.629832858252 0.353727204474 -0.996879798261 TCL: atom 1: phi = -0.574499346296 TCL: Center of mass = -0.629348742662 0.353707330857 -0.996887421057 TCL: atom 1: phi = -0.574664437502 TCL: Center of mass = -0.628861044548 0.353702333095 -0.996896015832 TCL: atom 1: phi = -0.574881533977 TCL: Center of mass = -0.628366135669 0.353691190381 -0.996907931053 TCL: atom 1: phi = -0.574692405527 TCL: Center of mass = -0.627862030717 0.353692048339 -0.996915527228 TCL: atom 1: phi = -0.574642017129 TCL: Center of mass = -0.627366123108 0.353699780942 -0.996925484837 TCL: atom 1: phi = -0.574278383521 TCL: Center of mass = -0.626859739266 0.353708000137 -0.996937848102 TCL: atom 1: phi = -0.574031947938 TCL: Center of mass = -0.62635061638 0.353714410183 -0.99693836222 TCL: atom 1: phi = -0.573381352107 TCL: Center of mass = -0.625825022457 0.353733237736 -0.996942186423 TCL: atom 1: phi = -0.572784002541 TCL: Center of mass = -0.625302280899 0.353743572564 -0.996949275082 TCL: atom 1: phi = -0.571663828934 TCL: Center of mass = -0.624771980527 0.353760851637 -0.99694815086 TCL: atom 1: phi = -0.570621569034 TCL: Center of mass = -0.624241388602 0.353768838951 -0.996941330513 TCL: atom 1: phi = -0.569140714393 TCL: Center of mass = -0.623708805267 0.353766689857 -0.996930407051 TCL: atom 1: phi = -0.567831638219 TCL: Center of mass = -0.623168922087 0.353761149379 -0.996917272715 TCL: atom 1: phi = -0.56629606029 TCL: Center of mass = -0.622609908314 0.353755672859 -0.99690908192 TCL: atom 1: phi = -0.565125983675 TCL: Center of mass = -0.622045881785 0.353749576679 -0.996899839446 TCL: atom 1: phi = -0.563919488329 TCL: Center of mass = -0.62147850596 0.353751137481 -0.99689183191 TCL: atom 1: phi = -0.563298122361 TCL: Center of mass = -0.620917449796 0.353764005734 -0.996885979154 TCL: atom 1: phi = -0.562586222543 TCL: Center of mass = -0.620348087876 0.35376624414 -0.99688806341 TCL: atom 1: phi = -0.562391610084 TCL: Center of mass = -0.619772625773 0.353760442573 -0.996884757672 TCL: atom 1: phi = -0.561939634141 TCL: Center of mass = -0.61919661617 0.353758048255 -0.996880004329 TCL: atom 1: phi = -0.561862175119 TCL: Center of mass = -0.618614576035 0.353751640591 -0.996877883674 TCL: atom 1: phi = -0.561386984318 TCL: Center of mass = -0.618018580709 0.353747858776 -0.996887490517 TCL: atom 1: phi = -0.561176248232 TCL: Center of mass = -0.617414716758 0.353747410891 -0.996913380426 TCL: atom 1: phi = -0.560562585603 TCL: Center of mass = -0.61681960805 0.353750301104 -0.996939606391 TCL: atom 1: phi = -0.560346418595 TCL: Center of mass = -0.616216422746 0.353750426118 -0.996966953609 TCL: atom 1: phi = -0.559905628176 TCL: Center of mass = -0.615598419799 0.353738031368 -0.996998185307 TCL: atom 1: phi = -0.559904783642 TCL: Center of mass = -0.614976011543 0.353721713142 -0.997029519056 TCL: atom 1: phi = -0.559640873796 TCL: Center of mass = -0.614368433341 0.353699620653 -0.997055764861 TCL: atom 1: phi = -0.559685155243 TCL: Center of mass = -0.6137498572 0.353679444022 -0.997074327516 TCL: atom 1: phi = -0.559287496794 TCL: Center of mass = -0.613134279852 0.353661493749 -0.997082032324 TCL: atom 1: phi = -0.559127582065 TCL: Center of mass = -0.612501810057 0.353646000604 -0.997081419607 TCL: atom 1: phi = -0.558551773171 TCL: Center of mass = -0.611869068606 0.353616220255 -0.997100593383 TCL: atom 1: phi = -0.558315134438 TCL: Center of mass = -0.611243187261 0.353582717346 -0.997112209435 TCL: atom 1: phi = -0.557779176443 TCL: Center of mass = -0.610621398629 0.353553275765 -0.997122316426 TCL: atom 1: phi = -0.557701538749 TCL: Center of mass = -0.609997876436 0.353533476938 -0.997132873941 TCL: atom 1: phi = -0.557500067687 TCL: Center of mass = -0.60936484878 0.353520474855 -0.997157322365 TCL: atom 1: phi = -0.55780808351 TCL: Center of mass = -0.608714279264 0.353506827772 -0.99718763312 TCL: atom 1: phi = -0.557985264918 TCL: Center of mass = -0.608052257955 0.353481152654 -0.997217518142 TCL: atom 1: phi = -0.558594295853 TCL: Center of mass = -0.607389181576 0.353446284198 -0.997243656689 TCL: atom 1: phi = -0.558889655491 TCL: Center of mass = -0.606718706735 0.353417424299 -0.997277709449 TCL: atom 1: phi = -0.559380573339 TCL: Center of mass = -0.606054766631 0.353380234624 -0.997308917391 TCL: atom 1: phi = -0.559403930251 TCL: Center of mass = -0.605393453443 0.353344738662 -0.99734374244 TCL: atom 1: phi = -0.559416513217 TCL: Center of mass = -0.604726515505 0.353325622092 -0.997372927485 TCL: atom 1: phi = -0.559024815654 TCL: Center of mass = -0.604056755711 0.353302794204 -0.997394816884 TCL: atom 1: phi = -0.558782105001 TCL: Center of mass = -0.603380206589 0.353278785769 -0.997405664258 TCL: atom 1: phi = -0.558263882899 TCL: Center of mass = -0.602712984705 0.35324361928 -0.997402023947 TCL: atom 1: phi = -0.557999563768 TCL: Center of mass = -0.602053503316 0.353204908091 -0.997396935924 TCL: atom 1: phi = -0.557515456324 TCL: Center of mass = -0.601397184812 0.353157147681 -0.997388143517 TCL: atom 1: phi = -0.557346326109 TCL: Center of mass = -0.600746926413 0.353098497553 -0.997382653942 TCL: atom 1: phi = -0.556846026649 TCL: Center of mass = -0.600087476195 0.353040461198 -0.997382874955 TCL: atom 1: phi = -0.556477166472 TCL: Center of mass = -0.599428907337 0.35296433313 -0.997375644367 TCL: atom 1: phi = -0.555804051915 TCL: Center of mass = -0.598767821897 0.352891176066 -0.99736829335 TCL: atom 1: phi = -0.555339659532 TCL: Center of mass = -0.598098732166 0.352813664072 -0.997354108612 TCL: atom 1: phi = -0.554648308002 TCL: Center of mass = -0.59742807551 0.352738317915 -0.997335407167 TCL: atom 1: phi = -0.554388777033 TCL: Center of mass = -0.596756802104 0.352652168271 -0.997322217096 TCL: atom 1: phi = -0.554244649203 TCL: Center of mass = -0.596097210832 0.352569997425 -0.997308002359 TCL: atom 1: phi = -0.554757645134 TCL: Center of mass = -0.595429583938 0.352484644144 -0.997304122997 TCL: atom 1: phi = -0.555374015335 TCL: Center of mass = -0.594758039187 0.352389060257 -0.99729270153 TCL: atom 1: phi = -0.556406835358 TCL: Center of mass = -0.594090697459 0.352299364408 -0.997287765233 TCL: atom 1: phi = -0.557295111689 TCL: Center of mass = -0.593421955909 0.352208353258 -0.997279526227 TCL: atom 1: phi = -0.558317075373 TCL: Center of mass = -0.592742981135 0.352118524976 -0.997271428288 TCL: atom 1: phi = -0.558840451211 TCL: Center of mass = -0.592059125849 0.352022977347 -0.997270787791 TCL: atom 1: phi = -0.559269969034 TCL: Center of mass = -0.59137238283 0.351942346593 -0.997261985188 TCL: atom 1: phi = -0.559228294594 Info: Initial time: 1 CPUs 0.206957 s/step 2.39534 days/ns 20186 kB memory TIMING: 200 CPU: 34.6017, 0.168944/step Wall: 41.7191, 0.206981/step, 1.13839 hours remaining, 20186 kB of memory in use. ENERGY: 200 393.6973 689.2301 420.0470 49.3461 -2793.6737 -205.0039 0.0000 0.0000 1063.8615 -382.4956 289.9320 -374.3170 -372.1768 286.2671 373.1632 461.3822 64000.0000 243.7525 241.9470 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200 WRITING COORDINATES TO DCD FILE AT STEP 200 WRITING COORDINATES TO RESTART FILE AT STEP 200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = -0.590682928 0.3518637559 -0.997255972062 TCL: atom 1: phi = -0.559133107203 TCL: Center of mass = -0.589994622318 0.351779485259 -0.997247677033 TCL: atom 1: phi = -0.558674324155 TCL: Center of mass = -0.589304149783 0.351702804106 -0.997239898635 TCL: atom 1: phi = -0.558358769021 TCL: Center of mass = -0.588614837407 0.351619097027 -0.997244426678 TCL: atom 1: phi = -0.557813682716 TCL: Center of mass = -0.587922436381 0.351533557163 -0.997245126008 TCL: atom 1: phi = -0.557378004201 TCL: Center of mass = -0.587223264516 0.351450691313 -0.997246422753 TCL: atom 1: phi = -0.556632024981 TCL: Center of mass = -0.586527329506 0.351368524458 -0.997249594658 TCL: atom 1: phi = -0.555878522787 TCL: Center of mass = -0.585828008834 0.351286236975 -0.997248505626 TCL: atom 1: phi = -0.554697212809 TCL: Center of mass = -0.585114072462 0.351199264471 -0.997247291692 TCL: atom 1: phi = -0.553562083146 TCL: Center of mass = -0.584403525581 0.351128015194 -0.997253204789 TCL: atom 1: phi = -0.552065619403 TCL: Center of mass = -0.583686693013 0.351047220087 -0.997264636427 TCL: atom 1: phi = -0.550784471599 TCL: Center of mass = -0.582962174901 0.350970969858 -0.997268523884 TCL: atom 1: phi = -0.549343329465 TCL: Center of mass = -0.582224202038 0.350881914168 -0.997261370506 TCL: atom 1: phi = -0.548307525257 TCL: Center of mass = -0.58148517008 0.35079793187 -0.997249276676 TCL: atom 1: phi = -0.547208329581 TCL: Center of mass = -0.58074351385 0.350723090936 -0.997240941524 TCL: atom 1: phi = -0.546484431737 TCL: Center of mass = -0.579999488296 0.350645004499 -0.99723489867 TCL: atom 1: phi = -0.545585608953 TCL: Center of mass = -0.579256980577 0.350571706818 -0.997227112739 TCL: atom 1: phi = -0.544925635105 TCL: Center of mass = -0.578521352078 0.350496820303 -0.997208188905 TCL: atom 1: phi = -0.543950885831 TCL: Center of mass = -0.577778701569 0.350431791994 -0.997186664323 TCL: atom 1: phi = -0.543152110168 TCL: Center of mass = -0.577027378855 0.350365334353 -0.997161199907 TCL: atom 1: phi = -0.541996090448 TCL: Center of mass = -0.576283178622 0.350290521108 -0.997139241433 TCL: atom 1: phi = -0.541075000577 TCL: Center of mass = -0.575533138292 0.350216658372 -0.997123031905 TCL: atom 1: phi = -0.539953891845 TCL: Center of mass = -0.574784557872 0.350146656681 -0.997106393387 TCL: atom 1: phi = -0.539357565835 TCL: Center of mass = -0.574031036163 0.350078370559 -0.997090801887 TCL: atom 1: phi = -0.538671940741 TCL: Center of mass = -0.573272455975 0.349988273207 -0.997075757814 TCL: atom 1: phi = -0.538504709943 TCL: Center of mass = -0.572521739654 0.349895374076 -0.997069535839 TCL: atom 1: phi = -0.538177941982 TCL: Center of mass = -0.571768438227 0.349805943696 -0.997064447548 TCL: atom 1: phi = -0.538157103052 TCL: Center of mass = -0.571015898344 0.349727139891 -0.997064569933 TCL: atom 1: phi = -0.537885157724 TCL: Center of mass = -0.57024951815 0.349644443578 -0.997070631768 TCL: atom 1: phi = -0.537910133664 TCL: Center of mass = -0.569474023382 0.34956976542 -0.997075528892 TCL: atom 1: phi = -0.53764238451 TCL: Center of mass = -0.56870255286 0.349489613618 -0.997084086906 TCL: atom 1: phi = -0.537758881388 TCL: Center of mass = -0.567927586531 0.349407027382 -0.997091563635 TCL: atom 1: phi = -0.537792336924 TCL: Center of mass = -0.567157843679 0.349329446784 -0.997108901666 TCL: atom 1: phi = -0.538314112209 TCL: Center of mass = -0.566377217989 0.349253510268 -0.997119378353 TCL: atom 1: phi = -0.538856162195 TCL: Center of mass = -0.565598570179 0.349176590572 -0.997125738249 TCL: atom 1: phi = -0.539921623491 TCL: Center of mass = -0.564821586304 0.349098052549 -0.997140256158 TCL: atom 1: phi = -0.540860675509 TCL: Center of mass = -0.564052077936 0.349024162337 -0.997159599501 TCL: atom 1: phi = -0.542035871294 TCL: Center of mass = -0.56327102206 0.348949059278 -0.997181057143 TCL: atom 1: phi = -0.542883161383 TCL: Center of mass = -0.562500057763 0.348877454372 -0.997196081911 TCL: atom 1: phi = -0.543751654559 TCL: Center of mass = -0.561728011025 0.348792469149 -0.99721424933 TCL: atom 1: phi = -0.54416321191 TCL: Center of mass = -0.560955803235 0.348715905194 -0.997236087975 TCL: atom 1: phi = -0.544625989968 TCL: Center of mass = -0.560167820353 0.348632099732 -0.997257182404 TCL: atom 1: phi = -0.54471562547 TCL: Center of mass = -0.55938237848 0.348556922727 -0.997261681936 TCL: atom 1: phi = -0.544926891966 TCL: Center of mass = -0.558579634768 0.348480740751 -0.997276601721 TCL: atom 1: phi = -0.544977996706 TCL: Center of mass = -0.557767885086 0.348406258091 -0.997288655109 TCL: atom 1: phi = -0.54524414334 TCL: Center of mass = -0.556960214561 0.348333125762 -0.997299344734 TCL: atom 1: phi = -0.545247879903 TCL: Center of mass = -0.556147775941 0.348258585455 -0.99730462208 TCL: atom 1: phi = -0.545290848343 TCL: Center of mass = -0.555338751849 0.348169591693 -0.997316103539 TCL: atom 1: phi = -0.544969000166 TCL: Center of mass = -0.554517854698 0.348075755613 -0.99731848381 TCL: atom 1: phi = -0.54462258118 TCL: Center of mass = -0.553704226612 0.347964193323 -0.997328849386 TCL: atom 1: phi = -0.543817225232 TCL: Center of mass = -0.552884266667 0.347844099303 -0.997338471451 TCL: atom 1: phi = -0.543107674189 TCL: Center of mass = -0.552061881028 0.347729013128 -0.997345834474 TCL: atom 1: phi = -0.542161049376 TCL: Center of mass = -0.551235348283 0.347603461626 -0.997354626626 TCL: atom 1: phi = -0.541525807098 TCL: Center of mass = -0.55038782772 0.34747352731 -0.997363008278 TCL: atom 1: phi = -0.540825478031 TCL: Center of mass = -0.549545881707 0.347339293735 -0.997367563978 TCL: atom 1: phi = -0.540482385972 TCL: Center of mass = -0.548700864095 0.347205510127 -0.997375114566 TCL: atom 1: phi = -0.540105696789 TCL: Center of mass = -0.547858987219 0.347078134595 -0.997383339451 TCL: atom 1: phi = -0.539998768511 TCL: Center of mass = -0.547007359131 0.346945316122 -0.997388798057 TCL: atom 1: phi = -0.539682907853 TCL: Center of mass = -0.546149206826 0.346810830225 -0.997406596987 TCL: atom 1: phi = -0.539489232042 TCL: Center of mass = -0.54529101351 0.346669884454 -0.997428839702 TCL: atom 1: phi = -0.539030866374 TCL: Center of mass = -0.544419055046 0.346528384702 -0.997452098183 TCL: atom 1: phi = -0.538722396793 TCL: Center of mass = -0.5435343082 0.346379377924 -0.997468188598 TCL: atom 1: phi = -0.538188410952 TCL: Center of mass = -0.542653893248 0.346231540597 -0.997486528546 TCL: atom 1: phi = -0.537911185209 TCL: Center of mass = -0.541761573245 0.346078957949 -0.99750276907 TCL: atom 1: phi = -0.537560696099 TCL: Center of mass = -0.540863349678 0.345919290017 -0.997510626127 TCL: atom 1: phi = -0.537540515345 TCL: Center of mass = -0.539965008304 0.345751756287 -0.997527473194 TCL: atom 1: phi = -0.537451445023 TCL: Center of mass = -0.53906190837 0.345592386699 -0.997535463597 TCL: atom 1: phi = -0.537617657413 TCL: Center of mass = -0.538168783543 0.345426130225 -0.997549461033 TCL: atom 1: phi = -0.537613288583 TCL: Center of mass = -0.537266142358 0.345260542749 -0.99755738376 TCL: atom 1: phi = -0.537707585224 TCL: Center of mass = -0.536359341838 0.345093015811 -0.997560148251 TCL: atom 1: phi = -0.53745571513 TCL: Center of mass = -0.535449123696 0.344912064776 -0.997566415517 TCL: atom 1: phi = -0.537233634171 TCL: Center of mass = -0.534526937098 0.344732207455 -0.99758140584 TCL: atom 1: phi = -0.536781901344 TCL: Center of mass = -0.533610967844 0.344555502413 -0.997599979309 TCL: atom 1: phi = -0.536496648355 TCL: Center of mass = -0.532681770189 0.344386862139 -0.997632769041 TCL: atom 1: phi = -0.536084994412 TCL: Center of mass = -0.531743481372 0.344223310633 -0.997671457394 TCL: atom 1: phi = -0.535952103966 TCL: Center of mass = -0.530802666832 0.344051896789 -0.997716580698 TCL: atom 1: phi = -0.535696970346 TCL: Center of mass = -0.529858287275 0.343891946077 -0.997762186314 TCL: atom 1: phi = -0.53564377878 TCL: Center of mass = -0.528906095769 0.343738016764 -0.997817102 TCL: atom 1: phi = -0.535300783551 TCL: Center of mass = -0.527941137125 0.343579144162 -0.997869281002 TCL: atom 1: phi = -0.535011135012 TCL: Center of mass = -0.526978524507 0.343418310615 -0.997925860282 TCL: atom 1: phi = -0.534315504336 TCL: Center of mass = -0.52601297535 0.343261680233 -0.997980331212 TCL: atom 1: phi = -0.533677081007 TCL: Center of mass = -0.525048678216 0.343101716265 -0.998033872748 TCL: atom 1: phi = -0.532778977636 TCL: Center of mass = -0.524083759447 0.342953303121 -0.998080322749 TCL: atom 1: phi = -0.532085709234 TCL: Center of mass = -0.523124325118 0.342801231126 -0.998121240955 TCL: atom 1: phi = -0.531269475585 TCL: Center of mass = -0.522166252091 0.342655259864 -0.998164592853 TCL: atom 1: phi = -0.530888091649 TCL: Center of mass = -0.521195888515 0.342495468841 -0.99821605525 TCL: atom 1: phi = -0.530352637408 TCL: Center of mass = -0.520231952122 0.342338897958 -0.998262508931 TCL: atom 1: phi = -0.530146604602 TCL: Center of mass = -0.519276514293 0.342176092633 -0.998314529552 TCL: atom 1: phi = -0.529763525152 TCL: Center of mass = -0.518327150626 0.342017299757 -0.998368452622 TCL: atom 1: phi = -0.529616364255 TCL: Center of mass = -0.517380373199 0.341871137912 -0.99842839478 TCL: atom 1: phi = -0.529180332776 TCL: Center of mass = -0.51642550919 0.341719747995 -0.998484181667 TCL: atom 1: phi = -0.529007660997 TCL: Center of mass = -0.515475362767 0.341575030293 -0.998532003814 TCL: atom 1: phi = -0.528647425693 TCL: Center of mass = -0.514518926436 0.341433087587 -0.99858047733 TCL: atom 1: phi = -0.528633795418 TCL: Center of mass = -0.513556003101 0.341279229964 -0.998618200316 TCL: atom 1: phi = -0.528507651463 TCL: Center of mass = -0.512602553488 0.341130824325 -0.998650936252 TCL: atom 1: phi = -0.528761124699 TCL: Center of mass = -0.511647464673 0.340981889294 -0.998666990589 TCL: atom 1: phi = -0.528939939765 TCL: Center of mass = -0.51069645027 0.340842120835 -0.998678290396 TCL: atom 1: phi = -0.529505423607 TCL: Center of mass = -0.509743065498 0.340708199785 -0.998699886443 TCL: atom 1: phi = -0.52990225881 TCL: Center of mass = -0.508783733708 0.340584455353 -0.998717809163 TCL: atom 1: phi = -0.530519660403 TCL: Center of mass = -0.507816578106 0.340451608014 -0.998736138128 TCL: atom 1: phi = -0.530811543717 Info: Initial time: 1 CPUs 0.206737 s/step 2.39279 days/ns 20194 kB memory TIMING: 300 CPU: 51.4912, 0.168894/step Wall: 62.3933, 0.206742/step, 1.13134 hours remaining, 20194 kB of memory in use. ENERGY: 300 411.7806 664.4676 404.4778 54.8452 -2776.8879 -216.5705 0.0000 0.0000 1066.3433 -391.5439 290.6084 -382.8823 -382.4361 288.2497 25.6592 -35.0036 64000.0000 -111.1661 -116.7653 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300 WRITING COORDINATES TO DCD FILE AT STEP 300 WRITING COORDINATES TO RESTART FILE AT STEP 300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = -0.506847861968 0.340319916205 -0.998753008371 TCL: atom 1: phi = -0.531325808286 TCL: Center of mass = -0.505881491461 0.34019377809 -0.99876192466 TCL: atom 1: phi = -0.531583105982 TCL: Center of mass = -0.50489651173 0.340056109496 -0.998769448077 TCL: atom 1: phi = -0.532137648778 TCL: Center of mass = -0.503919452305 0.339919634693 -0.998788233564 TCL: atom 1: phi = -0.532599713142 TCL: Center of mass = -0.502942573602 0.339776796013 -0.99880975048 TCL: atom 1: phi = -0.533486101609 TCL: Center of mass = -0.501967060446 0.339629943392 -0.998829445138 TCL: atom 1: phi = -0.534386307886 TCL: Center of mass = -0.500994851337 0.339493668563 -0.998862025585 TCL: atom 1: phi = -0.535696999426 TCL: Center of mass = -0.500017181377 0.339349881913 -0.998905486314 TCL: atom 1: phi = -0.536866019834 TCL: Center of mass = -0.499026635911 0.339205376448 -0.998964850869 TCL: atom 1: phi = -0.538297593208 TCL: Center of mass = -0.498029633593 0.339071918552 -0.999025265923 TCL: atom 1: phi = -0.539465416285 TCL: Center of mass = -0.497016325772 0.33892744005 -0.99908770681 TCL: atom 1: phi = -0.540850211248 TCL: Center of mass = -0.495995413301 0.33878493129 -0.99913068665 TCL: atom 1: phi = -0.542012933845 TCL: Center of mass = -0.494993408626 0.338649293681 -0.999180237772 TCL: atom 1: phi = -0.543342961073 TCL: Center of mass = -0.493980494077 0.338522121163 -0.999234018307 TCL: atom 1: phi = -0.544423190796 TCL: Center of mass = -0.492961291155 0.338401340752 -0.999286789171 TCL: atom 1: phi = -0.545608670529 TCL: Center of mass = -0.491947070399 0.338286649161 -0.999343022911 TCL: atom 1: phi = -0.546463006441 TCL: Center of mass = -0.490918001484 0.338177443241 -0.999403413516 TCL: atom 1: phi = -0.547340649905 TCL: Center of mass = -0.489896732814 0.338065016861 -0.999466765569 TCL: atom 1: phi = -0.54780119779 TCL: Center of mass = -0.488887463414 0.337961396722 -0.999532187685 TCL: atom 1: phi = -0.548180528222 TCL: Center of mass = -0.487872863534 0.33784835451 -0.999591145277 TCL: atom 1: phi = -0.548063725548 TCL: Center of mass = -0.486876612597 0.337744767983 -0.999638864973 TCL: atom 1: phi = -0.547845736744 TCL: Center of mass = -0.48587689161 0.337633189159 -0.999688462314 TCL: atom 1: phi = -0.547220727409 TCL: Center of mass = -0.484881263423 0.337515406588 -0.999734583113 TCL: atom 1: phi = -0.54658083675 TCL: Center of mass = -0.483888038699 0.337399163273 -0.999783986693 TCL: atom 1: phi = -0.545659713555 TCL: Center of mass = -0.482895927577 0.337286187598 -0.999835830303 TCL: atom 1: phi = -0.544850572993 TCL: Center of mass = -0.481902941303 0.337169852641 -0.999883625436 TCL: atom 1: phi = -0.543894720946 TCL: Center of mass = -0.480920796383 0.337039665433 -0.999939852694 TCL: atom 1: phi = -0.543169304569 TCL: Center of mass = -0.479939506719 0.336904114667 -0.999988865721 TCL: atom 1: phi = -0.542321692738 TCL: Center of mass = -0.47895957255 0.336767912344 -1.0000382371 TCL: atom 1: phi = -0.541694056607 TCL: Center of mass = -0.477969397014 0.336625743475 -1.00009760797 TCL: atom 1: phi = -0.540873198136 TCL: Center of mass = -0.476977948811 0.336491118598 -1.00016277739 TCL: atom 1: phi = -0.540276593842 TCL: Center of mass = -0.475988788445 0.336356545832 -1.00023875786 TCL: atom 1: phi = -0.539464721215 TCL: Center of mass = -0.475000102338 0.336218506466 -1.0003239145 TCL: atom 1: phi = -0.538906016765 TCL: Center of mass = -0.474010517597 0.336075050525 -1.00040572614 TCL: atom 1: phi = -0.538115063308 TCL: Center of mass = -0.473023120631 0.335930623781 -1.00049271222 TCL: atom 1: phi = -0.537552424162 TCL: Center of mass = -0.472037086527 0.335776784262 -1.00057238913 TCL: atom 1: phi = -0.536649750699 TCL: Center of mass = -0.471055889231 0.335622879446 -1.00065012398 TCL: atom 1: phi = -0.535964738932 TCL: Center of mass = -0.470061790982 0.335479924742 -1.00073584728 TCL: atom 1: phi = -0.534907274974 TCL: Center of mass = -0.469064450148 0.33534548926 -1.00082125633 TCL: atom 1: phi = -0.534022460612 TCL: Center of mass = -0.468056905305 0.335214588229 -1.00090272554 TCL: atom 1: phi = -0.532744709576 TCL: Center of mass = -0.467059751696 0.335086238188 -1.00098337444 TCL: atom 1: phi = -0.531624086648 TCL: Center of mass = -0.466052264563 0.334958033365 -1.00107121709 TCL: atom 1: phi = -0.530166849314 TCL: Center of mass = -0.465054988627 0.334824046863 -1.00115858557 TCL: atom 1: phi = -0.529050038453 TCL: Center of mass = -0.464060490752 0.334685661985 -1.00123164238 TCL: atom 1: phi = -0.527662807874 TCL: Center of mass = -0.46306110464 0.334546522228 -1.00129466842 TCL: atom 1: phi = -0.526710414879 TCL: Center of mass = -0.462060798153 0.334398846843 -1.0013425439 TCL: atom 1: phi = -0.525571753508 TCL: Center of mass = -0.46106016277 0.33426383365 -1.00139510105 TCL: atom 1: phi = -0.524896927917 TCL: Center of mass = -0.460049171359 0.334119637283 -1.00144759731 TCL: atom 1: phi = -0.524133022239 TCL: Center of mass = -0.459022113213 0.333961239284 -1.00148429554 TCL: atom 1: phi = -0.523921032152 TCL: Center of mass = -0.457987069651 0.333808008345 -1.00151442734 TCL: atom 1: phi = -0.523653638301 TCL: Center of mass = -0.456941109678 0.333646559531 -1.00154971714 TCL: atom 1: phi = -0.523875633554 TCL: Center of mass = -0.455893160375 0.333479395642 -1.00159839396 TCL: atom 1: phi = -0.524019294337 TCL: Center of mass = -0.454838369818 0.333316644039 -1.00164443321 TCL: atom 1: phi = -0.52455034177 TCL: Center of mass = -0.453772571779 0.333150080827 -1.00168588348 TCL: atom 1: phi = -0.524955921115 TCL: Center of mass = -0.452717012197 0.332994758017 -1.00172523085 TCL: atom 1: phi = -0.52560866586 TCL: Center of mass = -0.451662781951 0.332849318316 -1.00175203074 TCL: atom 1: phi = -0.526039109331 TCL: Center of mass = -0.450621245501 0.332718060943 -1.00176300941 TCL: atom 1: phi = -0.526664081417 TCL: Center of mass = -0.449576731924 0.332590725217 -1.00176979384 TCL: atom 1: phi = -0.527019043705 TCL: Center of mass = -0.448528654746 0.332475430507 -1.00178020498 TCL: atom 1: phi = -0.527491647482 TCL: Center of mass = -0.447485190685 0.332367890934 -1.00179359398 TCL: atom 1: phi = -0.527714382537 TCL: Center of mass = -0.446426239031 0.332262336059 -1.0018171438 TCL: atom 1: phi = -0.52801412513 TCL: Center of mass = -0.445370452751 0.332151240075 -1.00185182925 TCL: atom 1: phi = -0.528057224257 TCL: Center of mass = -0.444316232311 0.332051574078 -1.00188532845 TCL: atom 1: phi = -0.528255127913 TCL: Center of mass = -0.443261987866 0.331953784534 -1.00192791487 TCL: atom 1: phi = -0.528250539801 TCL: Center of mass = -0.442208943322 0.33185974564 -1.00197264193 TCL: atom 1: phi = -0.52841509089 TCL: Center of mass = -0.441174531775 0.331769128623 -1.0020150114 TCL: atom 1: phi = -0.528461981594 TCL: Center of mass = -0.440128178149 0.331677437021 -1.00205194955 TCL: atom 1: phi = -0.528773608617 TCL: Center of mass = -0.439066877619 0.33157480238 -1.00208098477 TCL: atom 1: phi = -0.529033944739 TCL: Center of mass = -0.438010640311 0.331476788606 -1.00212099263 TCL: atom 1: phi = -0.52949232892 TCL: Center of mass = -0.436947080809 0.331376288083 -1.00216908065 TCL: atom 1: phi = -0.529870765193 TCL: Center of mass = -0.435879534129 0.331290541145 -1.00220601585 TCL: atom 1: phi = -0.530464544911 TCL: Center of mass = -0.434807228938 0.331208570468 -1.00224680196 TCL: atom 1: phi = -0.530964219686 TCL: Center of mass = -0.433724334237 0.331119370443 -1.0022845629 TCL: atom 1: phi = -0.53164490122 TCL: Center of mass = -0.432637797624 0.331023757156 -1.00232932016 TCL: atom 1: phi = -0.532119362232 TCL: Center of mass = -0.431542600734 0.330937551928 -1.00236928678 TCL: atom 1: phi = -0.532607848956 TCL: Center of mass = -0.430429906394 0.330850781714 -1.00240840368 TCL: atom 1: phi = -0.532748136376 TCL: Center of mass = -0.429310304892 0.330776174466 -1.00245617697 TCL: atom 1: phi = -0.532772453482 TCL: Center of mass = -0.428203341387 0.33070123797 -1.00249563778 TCL: atom 1: phi = -0.532385721599 TCL: Center of mass = -0.427094223241 0.330615794225 -1.00252368473 TCL: atom 1: phi = -0.531898170815 TCL: Center of mass = -0.42598554078 0.330529605192 -1.00256556976 TCL: atom 1: phi = -0.531086025005 TCL: Center of mass = -0.424878788155 0.330438529202 -1.00261149013 TCL: atom 1: phi = -0.530313437421 TCL: Center of mass = -0.423777530889 0.330345873355 -1.00266835013 TCL: atom 1: phi = -0.529284326297 TCL: Center of mass = -0.422673468996 0.330241745702 -1.0027253357 TCL: atom 1: phi = -0.528319415671 TCL: Center of mass = -0.421570354516 0.330137715221 -1.00278758951 TCL: atom 1: phi = -0.52713710783 TCL: Center of mass = -0.420480749529 0.330028795851 -1.00285576475 TCL: atom 1: phi = -0.526120800943 TCL: Center of mass = -0.419399093675 0.329914417456 -1.00292044935 TCL: atom 1: phi = -0.524899822687 TCL: Center of mass = -0.418312555145 0.329802804882 -1.00297471528 TCL: atom 1: phi = -0.523898768299 TCL: Center of mass = -0.417218512121 0.329691462429 -1.00303117024 TCL: atom 1: phi = -0.522872233677 TCL: Center of mass = -0.416122771197 0.32958200402 -1.00309145272 TCL: atom 1: phi = -0.522276200234 TCL: Center of mass = -0.415024693573 0.329466300864 -1.00315800046 TCL: atom 1: phi = -0.521752538767 TCL: Center of mass = -0.413908393097 0.329343050276 -1.00321595536 TCL: atom 1: phi = -0.521702345635 TCL: Center of mass = -0.412795043607 0.329227018945 -1.00327777032 TCL: atom 1: phi = -0.521769895232 TCL: Center of mass = -0.411685053571 0.329106674902 -1.00333857964 TCL: atom 1: phi = -0.522330830969 TCL: Center of mass = -0.410565890989 0.328994324471 -1.00340009684 TCL: atom 1: phi = -0.522927840669 TCL: Center of mass = -0.409425959654 0.328888224664 -1.00346134924 TCL: atom 1: phi = -0.523783072023 TCL: Center of mass = -0.408278766201 0.328778633744 -1.00352397386 TCL: atom 1: phi = -0.524414032799 TCL: Center of mass = -0.407135112596 0.328670356936 -1.00357694429 TCL: atom 1: phi = -0.525182170835 TCL: Center of mass = -0.405984608968 0.328550350782 -1.00362592234 TCL: atom 1: phi = -0.525610541097 TCL: Center of mass = -0.404830218916 0.328428673824 -1.00366573576 TCL: atom 1: phi = -0.526053630737 TCL: Center of mass = -0.403677730643 0.328310903311 -1.00370219524 TCL: atom 1: phi = -0.526167266743 Info: Benchmark time: 1 CPUs 0.206641 s/step 2.39168 days/ns 20196 kB memory TIMING: 400 CPU: 68.3596, 0.168684/step Wall: 83.0601, 0.206668/step, 1.12519 hours remaining, 20196 kB of memory in use. ENERGY: 400 404.8921 722.4816 420.1085 47.5562 -2760.4703 -238.4958 0.0000 0.0000 1031.4492 -372.4784 281.0988 -363.4217 -364.8828 287.0538 286.8250 161.2841 64000.0000 -89.8128 -81.3134 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400 WRITING COORDINATES TO DCD FILE AT STEP 400 WRITING COORDINATES TO RESTART FILE AT STEP 400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = -0.40253496693 0.328199016193 -1.00374003481 TCL: atom 1: phi = -0.52632869267 TCL: Center of mass = -0.401397583579 0.328082633808 -1.00378309889 TCL: atom 1: phi = -0.526163722139 TCL: Center of mass = -0.400251642839 0.327969505457 -1.00381139611 TCL: atom 1: phi = -0.526128429498 TCL: Center of mass = -0.39910899014 0.32786207657 -1.00384470059 TCL: atom 1: phi = -0.52579971203 TCL: Center of mass = -0.397966766197 0.327760226597 -1.00387556648 TCL: atom 1: phi = -0.525533731722 TCL: Center of mass = -0.396815660483 0.327652088578 -1.0039018958 TCL: atom 1: phi = -0.524943452543 TCL: Center of mass = -0.395666770752 0.32754265128 -1.00393203096 TCL: atom 1: phi = -0.524398107989 TCL: Center of mass = -0.394510633411 0.327435551358 -1.00397104221 TCL: atom 1: phi = -0.52348808544 TCL: Center of mass = -0.393357980563 0.327326900451 -1.00401255167 TCL: atom 1: phi = -0.522718799009 TCL: Center of mass = -0.392208770534 0.327224338267 -1.00405393837 TCL: atom 1: phi = -0.52173921198 TCL: Center of mass = -0.391068521232 0.327122910689 -1.00409790882 TCL: atom 1: phi = -0.521073803523 TCL: Center of mass = -0.389930143275 0.327012768347 -1.00414124489 TCL: atom 1: phi = -0.520406720897 TCL: Center of mass = -0.38878585713 0.326907329039 -1.00419604401 TCL: atom 1: phi = -0.520218409096 TCL: Center of mass = -0.38763472527 0.326799037199 -1.00425027363 TCL: atom 1: phi = -0.519997550983 TCL: Center of mass = -0.38647859805 0.326682367845 -1.00430975163 TCL: atom 1: phi = -0.520099253114 TCL: Center of mass = -0.385328311554 0.3265717198 -1.00436283817 TCL: atom 1: phi = -0.519920613262 TCL: Center of mass = -0.384173905119 0.32645708703 -1.00442215699 TCL: atom 1: phi = -0.519884471777 TCL: Center of mass = -0.383023768028 0.326332798674 -1.00446509883 TCL: atom 1: phi = -0.519446486184 TCL: Center of mass = -0.381876040209 0.326199542871 -1.0045042743 TCL: atom 1: phi = -0.519058479168 TCL: Center of mass = -0.380729816805 0.326059495098 -1.00454063809 TCL: atom 1: phi = -0.51834129386 TCL: Center of mass = -0.379574783168 0.325914825995 -1.00458143696 TCL: atom 1: phi = -0.517821104615 TCL: Center of mass = -0.378414419443 0.32576287392 -1.00461944575 TCL: atom 1: phi = -0.517045487757 TCL: Center of mass = -0.377259691005 0.325607398637 -1.00465863516 TCL: atom 1: phi = -0.516538675101 TCL: Center of mass = -0.376110409959 0.325446746683 -1.00470621193 TCL: atom 1: phi = -0.515891530129 TCL: Center of mass = -0.374957095926 0.325290949178 -1.00476296453 TCL: atom 1: phi = -0.515571097803 TCL: Center of mass = -0.373802397733 0.325133660436 -1.00481669359 TCL: atom 1: phi = -0.515031116077 TCL: Center of mass = -0.372644799441 0.324965919994 -1.0048791352 TCL: atom 1: phi = -0.514724106382 TCL: Center of mass = -0.371487406533 0.324793687864 -1.00495322426 TCL: atom 1: phi = -0.514208534086 TCL: Center of mass = -0.370341083325 0.324619108779 -1.00504754328 TCL: atom 1: phi = -0.514100303247 TCL: Center of mass = -0.369200715072 0.324450747587 -1.0051357176 TCL: atom 1: phi = -0.513861601889 TCL: Center of mass = -0.368054093649 0.324269000879 -1.00522232 TCL: atom 1: phi = -0.51418902261 TCL: Center of mass = -0.366904965577 0.32408677715 -1.00531154938 TCL: atom 1: phi = -0.514545343866 TCL: Center of mass = -0.365763085762 0.323900914626 -1.00540626076 TCL: atom 1: phi = -0.5155095224 TCL: Center of mass = -0.364608492859 0.323721484575 -1.00550244608 TCL: atom 1: phi = -0.516456414006 TCL: Center of mass = -0.363446624266 0.32354889455 -1.00559186767 TCL: atom 1: phi = -0.517819811113 TCL: Center of mass = -0.362272353615 0.323361239103 -1.00568017011 TCL: atom 1: phi = -0.518958164681 TCL: Center of mass = -0.361108933447 0.32317966364 -1.00577927684 TCL: atom 1: phi = -0.520246155114 TCL: Center of mass = -0.35994140527 0.322995308903 -1.00588825766 TCL: atom 1: phi = -0.520987068995 TCL: Center of mass = -0.358779923215 0.322809899372 -1.00599507968 TCL: atom 1: phi = -0.521696698706 TCL: Center of mass = -0.35761310188 0.322618472389 -1.0061030852 TCL: atom 1: phi = -0.52188794393 TCL: Center of mass = -0.356440877978 0.322436308497 -1.00619630067 TCL: atom 1: phi = -0.522070684449 TCL: Center of mass = -0.35526677896 0.322253479493 -1.00628284513 TCL: atom 1: phi = -0.521782871374 TCL: Center of mass = -0.354088592754 0.322074181375 -1.00637058695 TCL: atom 1: phi = -0.521565178633 TCL: Center of mass = -0.352917188038 0.32189648213 -1.00645530176 TCL: atom 1: phi = -0.521031700106 TCL: Center of mass = -0.351744973752 0.321726302187 -1.00653880183 TCL: atom 1: phi = -0.520564061967 TCL: Center of mass = -0.350574538296 0.321546812738 -1.00663616619 TCL: atom 1: phi = -0.519661311693 TCL: Center of mass = -0.349398174877 0.321374523372 -1.00672626786 TCL: atom 1: phi = -0.518792818884 TCL: Center of mass = -0.348219181882 0.321203530064 -1.00681128712 TCL: atom 1: phi = -0.517503368823 TCL: Center of mass = -0.347046646906 0.321035409632 -1.00690060353 TCL: atom 1: phi = -0.516358117285 TCL: Center of mass = -0.345878866816 0.320870748795 -1.00698800579 TCL: atom 1: phi = -0.514895073839 TCL: Center of mass = -0.344712055826 0.320703294482 -1.00708915082 TCL: atom 1: phi = -0.513792025081 TCL: Center of mass = -0.343529491815 0.320523602717 -1.00719083866 TCL: atom 1: phi = -0.512455960927 TCL: Center of mass = -0.342326813258 0.320340055204 -1.00729519196 TCL: atom 1: phi = -0.511620509731 TCL: Center of mass = -0.341127578726 0.320181851444 -1.00740011669 TCL: atom 1: phi = -0.510625451761 TCL: Center of mass = -0.339920954678 0.320022533429 -1.00750263428 TCL: atom 1: phi = -0.510130038546 TCL: Center of mass = -0.338717240646 0.319867708462 -1.00760343541 TCL: atom 1: phi = -0.509365981887 TCL: Center of mass = -0.337508948124 0.319714253194 -1.00770210805 TCL: atom 1: phi = -0.508886628958 TCL: Center of mass = -0.336292760098 0.319549793908 -1.00779706992 TCL: atom 1: phi = -0.507910726373 TCL: Center of mass = -0.335080060157 0.31938605937 -1.00789355323 TCL: atom 1: phi = -0.507149041783 TCL: Center of mass = -0.333874556073 0.319221824045 -1.00799432835 TCL: atom 1: phi = -0.505973518818 TCL: Center of mass = -0.332669262017 0.319053192623 -1.0080946208 TCL: atom 1: phi = -0.505184936007 TCL: Center of mass = -0.331468181724 0.318877058452 -1.00820455698 TCL: atom 1: phi = -0.504163655347 TCL: Center of mass = -0.330272788104 0.318701907182 -1.00831104702 TCL: atom 1: phi = -0.503793254694 TCL: Center of mass = -0.329067181007 0.318533932585 -1.00841095823 TCL: atom 1: phi = -0.503285562767 TCL: Center of mass = -0.327849827414 0.318362751587 -1.00850506948 TCL: atom 1: phi = -0.503516848467 TCL: Center of mass = -0.326627177737 0.318199917474 -1.00859383738 TCL: atom 1: phi = -0.503589613015 TCL: Center of mass = -0.325393062579 0.318038063306 -1.00868425213 TCL: atom 1: phi = -0.50419593747 TCL: Center of mass = -0.324137497137 0.31787650942 -1.00877131263 TCL: atom 1: phi = -0.504597556079 TCL: Center of mass = -0.32287122915 0.317718052138 -1.00886038872 TCL: atom 1: phi = -0.505486087706 TCL: Center of mass = -0.321602754139 0.317572356168 -1.00892445884 TCL: atom 1: phi = -0.506091951486 TCL: Center of mass = -0.320326762511 0.317429691523 -1.00900646988 TCL: atom 1: phi = -0.507139977831 TCL: Center of mass = -0.319057523634 0.317282266447 -1.00908211383 TCL: atom 1: phi = -0.507996013688 TCL: Center of mass = -0.317789832715 0.31713594032 -1.00915355382 TCL: atom 1: phi = -0.509374198318 TCL: Center of mass = -0.316522569619 0.31698866773 -1.00922242344 TCL: atom 1: phi = -0.510608842823 TCL: Center of mass = -0.315261054044 0.31683573063 -1.00929786008 TCL: atom 1: phi = -0.512252115315 TCL: Center of mass = -0.313986627211 0.316685496927 -1.00937747629 TCL: atom 1: phi = -0.513529744613 TCL: Center of mass = -0.312713839802 0.31654610782 -1.00945547713 TCL: atom 1: phi = -0.514971205985 TCL: Center of mass = -0.31144413401 0.316411026621 -1.00953869886 TCL: atom 1: phi = -0.515865354535 TCL: Center of mass = -0.310174261329 0.316270707606 -1.00961693796 TCL: atom 1: phi = -0.516673554097 TCL: Center of mass = -0.308912130174 0.316126454069 -1.00968862967 TCL: atom 1: phi = -0.516843589439 TCL: Center of mass = -0.30764438583 0.315982707153 -1.00976478839 TCL: atom 1: phi = -0.51694904048 TCL: Center of mass = -0.306375398988 0.315848603058 -1.00984188666 TCL: atom 1: phi = -0.516615186713 TCL: Center of mass = -0.305107522262 0.315725113854 -1.00991008477 TCL: atom 1: phi = -0.516472700276 TCL: Center of mass = -0.303839119544 0.315626202919 -1.00997060419 TCL: atom 1: phi = -0.516086785974 TCL: Center of mass = -0.302574883691 0.3155243262 -1.01004114122 TCL: atom 1: phi = -0.515957716795 TCL: Center of mass = -0.30131147507 0.315427754064 -1.01012637812 TCL: atom 1: phi = -0.515506204699 TCL: Center of mass = -0.300047823307 0.315331180202 -1.01020490068 TCL: atom 1: phi = -0.515212413821 TCL: Center of mass = -0.29877560377 0.315232090655 -1.01028101935 TCL: atom 1: phi = -0.514562083296 TCL: Center of mass = -0.297494914787 0.31512347136 -1.01035463945 TCL: atom 1: phi = -0.514018715314 TCL: Center of mass = -0.29621596547 0.315026399385 -1.01043856315 TCL: atom 1: phi = -0.51307848526 TCL: Center of mass = -0.294934227381 0.314921042521 -1.01051976864 TCL: atom 1: phi = -0.512333403824 TCL: Center of mass = -0.293652290615 0.314812196645 -1.01059789616 TCL: atom 1: phi = -0.511368244399 TCL: Center of mass = -0.292363632636 0.314697940265 -1.0106614743 TCL: atom 1: phi = -0.510797357499 TCL: Center of mass = -0.291071168059 0.314583101971 -1.01071287011 TCL: atom 1: phi = -0.510097230416 TCL: Center of mass = -0.289778877523 0.314467946165 -1.01076890346 TCL: atom 1: phi = -0.509731133005 TCL: Center of mass = -0.28847556683 0.314348226581 -1.01083314845 TCL: atom 1: phi = -0.50914597341 TCL: Center of mass = -0.287190597393 0.314230201987 -1.01090580958 TCL: atom 1: phi = -0.508690291145 TCL: Center of mass = -0.285909630125 0.314105868776 -1.01097323536 TCL: atom 1: phi = -0.507771565887 TCL: Center of mass = -0.284621142832 0.313983049692 -1.01103999479 TCL: atom 1: phi = -0.506783546913 TCL: Center of mass = -0.283321919954 0.313858178329 -1.01111205472 TCL: atom 1: phi = -0.5052036767 Info: Benchmark time: 1 CPUs 0.205887 s/step 2.38295 days/ns 20201 kB memory TIMING: 500 CPU: 85.1751, 0.168154/step Wall: 103.649, 0.205888/step, 1.11523 hours remaining, 20201 kB of memory in use. ENERGY: 500 383.5505 719.1632 433.1692 40.8978 -2780.3995 -220.9632 0.0000 0.0000 1045.4302 -379.1517 284.9090 -370.2916 -369.9786 289.7299 389.6283 272.6248 64000.0000 20.2408 18.7239 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500 WRITING COORDINATES TO DCD FILE AT STEP 500 WRITING COORDINATES TO RESTART FILE AT STEP 500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = -0.282008193407 0.313731409052 -1.01119100799 TCL: atom 1: phi = -0.503661929326 TCL: Center of mass = -0.280701111211 0.313603477316 -1.01127123667 TCL: atom 1: phi = -0.501683455211 TCL: Center of mass = -0.279393043337 0.313475565519 -1.0113521437 TCL: atom 1: phi = -0.499990606401 TCL: Center of mass = -0.278086105118 0.31336497419 -1.01144249996 TCL: atom 1: phi = -0.498114197246 TCL: Center of mass = -0.276769755691 0.313262957582 -1.01153851588 TCL: atom 1: phi = -0.496688529122 TCL: Center of mass = -0.275448742028 0.31316523252 -1.01164249447 TCL: atom 1: phi = -0.495010095335 TCL: Center of mass = -0.274139574555 0.31307106311 -1.01174487191 TCL: atom 1: phi = -0.493771218208 TCL: Center of mass = -0.272839020738 0.312969299968 -1.01184765866 TCL: atom 1: phi = -0.492267237325 TCL: Center of mass = -0.271530649611 0.312885948634 -1.01194465616 TCL: atom 1: phi = -0.491118863802 TCL: Center of mass = -0.270227006586 0.31280102615 -1.01203720211 TCL: atom 1: phi = -0.489652813668 TCL: Center of mass = -0.268927526022 0.312716417154 -1.01212322801 TCL: atom 1: phi = -0.488536040887 TCL: Center of mass = -0.267623186245 0.312627670704 -1.0122090317 TCL: atom 1: phi = -0.487280854565 TCL: Center of mass = -0.26630846549 0.312536475911 -1.01228315086 TCL: atom 1: phi = -0.48667365388 TCL: Center of mass = -0.264985476644 0.312442561739 -1.01234748862 TCL: atom 1: phi = -0.486060349618 TCL: Center of mass = -0.263659552331 0.31235083166 -1.01242016596 TCL: atom 1: phi = -0.486105152387 TCL: Center of mass = -0.262328606244 0.312264363494 -1.01249161121 TCL: atom 1: phi = -0.486082081018 TCL: Center of mass = -0.260997422369 0.312181007777 -1.01254295179 TCL: atom 1: phi = -0.48649497313 TCL: Center of mass = -0.259659468367 0.312103436097 -1.01258454028 TCL: atom 1: phi = -0.486488775546 TCL: Center of mass = -0.258324739803 0.312022694124 -1.01262102523 TCL: atom 1: phi = -0.486589834974 TCL: Center of mass = -0.256992026816 0.311954268899 -1.01266177543 TCL: atom 1: phi = -0.486167259512 TCL: Center of mass = -0.255649097384 0.311883046016 -1.0127048184 TCL: atom 1: phi = -0.48586620839 TCL: Center of mass = -0.254307046583 0.311810304716 -1.01275295905 TCL: atom 1: phi = -0.485131257856 TCL: Center of mass = -0.252956930544 0.311731233878 -1.01280636176 TCL: atom 1: phi = -0.48465672769 TCL: Center of mass = -0.251619564299 0.311633267633 -1.01287043825 TCL: atom 1: phi = -0.483978832269 TCL: Center of mass = -0.250292793566 0.311551738072 -1.01294058637 TCL: atom 1: phi = -0.483760714578 TCL: Center of mass = -0.248971218256 0.311456860959 -1.01299359962 TCL: atom 1: phi = -0.483439361157 TCL: Center of mass = -0.247638982916 0.3113661471 -1.01305463292 TCL: atom 1: phi = -0.483564330982 TCL: Center of mass = -0.246298023779 0.311275375797 -1.0131171852 TCL: atom 1: phi = -0.483512770515 TCL: Center of mass = -0.244963634837 0.311190131396 -1.01317836805 TCL: atom 1: phi = -0.48382429212 TCL: Center of mass = -0.243623191113 0.311110219776 -1.01323520217 TCL: atom 1: phi = -0.483870161035 TCL: Center of mass = -0.242294623956 0.311032612608 -1.01329576429 TCL: atom 1: phi = -0.484249237038 TCL: Center of mass = -0.240970248535 0.310964082619 -1.01334736579 TCL: atom 1: phi = -0.484426716608 TCL: Center of mass = -0.239647578216 0.310890734744 -1.01340019972 TCL: atom 1: phi = -0.485024682042 TCL: Center of mass = -0.238326037569 0.310810226823 -1.01346129892 TCL: atom 1: phi = -0.485570102265 TCL: Center of mass = -0.237001063346 0.31072605029 -1.01352086312 TCL: atom 1: phi = -0.486675105989 TCL: Center of mass = -0.235665768053 0.310643459108 -1.01357370989 TCL: atom 1: phi = -0.487723752402 TCL: Center of mass = -0.234332270296 0.31055257655 -1.01362807775 TCL: atom 1: phi = -0.489170161158 TCL: Center of mass = -0.232992115164 0.310461436489 -1.01368180367 TCL: atom 1: phi = -0.490330267279 TCL: Center of mass = -0.231647055525 0.310374009659 -1.0137359357 TCL: atom 1: phi = -0.491552876854 TCL: Center of mass = -0.230294939993 0.310289918237 -1.01379485133 TCL: atom 1: phi = -0.492282676106 TCL: Center of mass = -0.228944749715 0.310210957524 -1.01386059985 TCL: atom 1: phi = -0.493003657436 TCL: Center of mass = -0.227586409528 0.310127659044 -1.01393253673 TCL: atom 1: phi = -0.493283969596 TCL: Center of mass = -0.226205648698 0.31005008868 -1.01400287483 TCL: atom 1: phi = -0.493623589751 TCL: Center of mass = -0.224818473492 0.30994776287 -1.01408146774 TCL: atom 1: phi = -0.493754598266 TCL: Center of mass = -0.223441674746 0.309844361642 -1.01415702009 TCL: atom 1: phi = -0.494132339339 TCL: Center of mass = -0.222071929706 0.309739829491 -1.01424626832 TCL: atom 1: phi = -0.494338733049 TCL: Center of mass = -0.220695726473 0.30962476433 -1.01433504466 TCL: atom 1: phi = -0.494773089448 TCL: Center of mass = -0.219312272547 0.309510637773 -1.01442413074 TCL: atom 1: phi = -0.495029536746 TCL: Center of mass = -0.217918694622 0.309396077854 -1.01451982825 TCL: atom 1: phi = -0.495361223965 TCL: Center of mass = -0.216529514326 0.309291737489 -1.01462273405 TCL: atom 1: phi = -0.495351522911 TCL: Center of mass = -0.215134376672 0.309188551567 -1.01473159041 TCL: atom 1: phi = -0.495365221273 TCL: Center of mass = -0.213746957172 0.309072907667 -1.01485825729 TCL: atom 1: phi = -0.495054021311 TCL: Center of mass = -0.212358613078 0.308968312724 -1.0149840094 TCL: atom 1: phi = -0.494845079592 TCL: Center of mass = -0.21096732359 0.308865456891 -1.01511528357 TCL: atom 1: phi = -0.494476955642 TCL: Center of mass = -0.209559540322 0.308756110791 -1.01524683263 TCL: atom 1: phi = -0.494390894845 TCL: Center of mass = -0.208148573097 0.30865001824 -1.01538849175 TCL: atom 1: phi = -0.494172123828 TCL: Center of mass = -0.206743236466 0.308537949998 -1.01553429233 TCL: atom 1: phi = -0.494078679875 TCL: Center of mass = -0.205345846507 0.308420495656 -1.01566307092 TCL: atom 1: phi = -0.493728994455 TCL: Center of mass = -0.203943033299 0.308289328116 -1.01578386411 TCL: atom 1: phi = -0.493367494215 TCL: Center of mass = -0.202548958962 0.308150754573 -1.01591285582 TCL: atom 1: phi = -0.492565669658 TCL: Center of mass = -0.201148037834 0.30802293525 -1.01603910317 TCL: atom 1: phi = -0.491660314569 TCL: Center of mass = -0.199746767861 0.307894536593 -1.01618170488 TCL: atom 1: phi = -0.490399608511 TCL: Center of mass = -0.19835226611 0.307774432861 -1.0163141164 TCL: atom 1: phi = -0.489245941371 TCL: Center of mass = -0.196960130228 0.307657455945 -1.01643961976 TCL: atom 1: phi = -0.487989494729 TCL: Center of mass = -0.195581468775 0.307532542913 -1.01656194235 TCL: atom 1: phi = -0.48700602472 TCL: Center of mass = -0.19420668556 0.307399905694 -1.01668352167 TCL: atom 1: phi = -0.485980096239 TCL: Center of mass = -0.192820039156 0.307271296178 -1.01681494853 TCL: atom 1: phi = -0.485256540125 TCL: Center of mass = -0.191446238959 0.307142162627 -1.01694508361 TCL: atom 1: phi = -0.484432117949 TCL: Center of mass = -0.19007467831 0.307009568259 -1.01707612294 TCL: atom 1: phi = -0.483811218843 TCL: Center of mass = -0.188710490246 0.306877538911 -1.0172084653 TCL: atom 1: phi = -0.482928202392 TCL: Center of mass = -0.187344023509 0.306752003241 -1.01734969123 TCL: atom 1: phi = -0.482129148235 TCL: Center of mass = -0.18596790499 0.306632880947 -1.01747829995 TCL: atom 1: phi = -0.481026512675 TCL: Center of mass = -0.184576396193 0.306518549947 -1.01761608116 TCL: atom 1: phi = -0.480099467402 TCL: Center of mass = -0.183175641005 0.306409202402 -1.01775401838 TCL: atom 1: phi = -0.479012791888 TCL: Center of mass = -0.181772007834 0.306305258407 -1.01788013951 TCL: atom 1: phi = -0.478150140033 TCL: Center of mass = -0.180375024979 0.306202090246 -1.01801255677 TCL: atom 1: phi = -0.477183044278 TCL: Center of mass = -0.178967995074 0.306103451994 -1.01814550465 TCL: atom 1: phi = -0.476501437356 TCL: Center of mass = -0.177563278804 0.306010467711 -1.01827273846 TCL: atom 1: phi = -0.475638120607 TCL: Center of mass = -0.176156918012 0.305913883163 -1.01840035291 TCL: atom 1: phi = -0.474896521947 TCL: Center of mass = -0.174753612178 0.305822311769 -1.01853349361 TCL: atom 1: phi = -0.473871222311 TCL: Center of mass = -0.173338788751 0.305718229732 -1.01866643095 TCL: atom 1: phi = -0.472898574491 TCL: Center of mass = -0.171925885305 0.305620543835 -1.01879698878 TCL: atom 1: phi = -0.471653345538 TCL: Center of mass = -0.170513660782 0.305519157054 -1.01892142721 TCL: atom 1: phi = -0.470639868632 TCL: Center of mass = -0.169099724691 0.30541492698 -1.01904280276 TCL: atom 1: phi = -0.469474847471 TCL: Center of mass = -0.167687788433 0.305309521978 -1.01917432485 TCL: atom 1: phi = -0.468676928905 TCL: Center of mass = -0.166275771077 0.305203967541 -1.01931592581 TCL: atom 1: phi = -0.467849054608 TCL: Center of mass = -0.164858265291 0.305096752431 -1.01945928814 TCL: atom 1: phi = -0.467457077332 TCL: Center of mass = -0.163432788725 0.304974576732 -1.01960855221 TCL: atom 1: phi = -0.466998374747 TCL: Center of mass = -0.162019657932 0.304854052307 -1.01975133649 TCL: atom 1: phi = -0.466835862514 TCL: Center of mass = -0.16060863254 0.304734522942 -1.0199020522 TCL: atom 1: phi = -0.466485883338 TCL: Center of mass = -0.159202129027 0.304602845722 -1.02005286814 TCL: atom 1: phi = -0.466387554676 TCL: Center of mass = -0.157786415831 0.304476988014 -1.02020512097 TCL: atom 1: phi = -0.465963706095 TCL: Center of mass = -0.156372560313 0.304357485063 -1.02034663336 TCL: atom 1: phi = -0.465827057145 TCL: Center of mass = -0.154963095227 0.304248127415 -1.02048171138 TCL: atom 1: phi = -0.465464463292 TCL: Center of mass = -0.153552679809 0.304134628832 -1.02061452595 TCL: atom 1: phi = -0.465436491701 TCL: Center of mass = -0.152143002471 0.304033277579 -1.02074149795 TCL: atom 1: phi = -0.465209665725 TCL: Center of mass = -0.150740182539 0.303933009778 -1.0208653207 TCL: atom 1: phi = -0.465357506907 TCL: Center of mass = -0.149334568141 0.303841702573 -1.02098309086 TCL: atom 1: phi = -0.465279763792 TCL: Center of mass = -0.1479187664 0.303748829617 -1.02110592809 TCL: atom 1: phi = -0.465473210375 TCL: Center of mass = -0.146504462275 0.303670928473 -1.02121626983 TCL: atom 1: phi = -0.465290150229 Info: Benchmark time: 1 CPUs 0.205773 s/step 2.38163 days/ns 20202 kB memory TIMING: 600 CPU: 101.984, 0.168094/step Wall: 124.226, 0.205774/step, 1.10889 hours remaining, 20202 kB of memory in use. ENERGY: 600 400.2842 694.3902 423.7412 36.8389 -2761.0320 -228.8046 0.0000 0.0000 1054.0179 -380.5642 287.2494 -371.9620 -371.0184 289.7849 19.7286 239.0731 64000.0000 -121.2119 -124.3236 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 = -0.145090619409 0.303597637878 -1.02133421666 TCL: atom 1: phi = -0.465297092467 TCL: Center of mass = -0.143681611423 0.303517776247 -1.02145659331 TCL: atom 1: phi = -0.464963894043 TCL: Center of mass = -0.142256851668 0.303435258372 -1.02157651568 TCL: atom 1: phi = -0.465005822301 TCL: Center of mass = -0.140823786368 0.303353208201 -1.02170717735 TCL: atom 1: phi = -0.464915948681 TCL: Center of mass = -0.139385624155 0.30326922216 -1.02183183112 TCL: atom 1: phi = -0.465327059108 TCL: Center of mass = -0.13794233608 0.303180096781 -1.02195073264 TCL: atom 1: phi = -0.465672845663 TCL: Center of mass = -0.136498889565 0.303082924239 -1.02207119153 TCL: atom 1: phi = -0.466550568621 TCL: Center of mass = -0.135066940332 0.303004498809 -1.02218881616 TCL: atom 1: phi = -0.46740438031 TCL: Center of mass = -0.133632427098 0.302923121723 -1.02231089241 TCL: atom 1: phi = -0.468616709717 TCL: Center of mass = -0.132198789695 0.302834360586 -1.0224181145 TCL: atom 1: phi = -0.46956694762 TCL: Center of mass = -0.130773622742 0.302750459114 -1.02251648116 TCL: atom 1: phi = -0.470680477372 TCL: Center of mass = -0.12933640923 0.302673001348 -1.02261189683 TCL: atom 1: phi = -0.471541511409 TCL: Center of mass = -0.127902957126 0.302601577428 -1.02269767815 TCL: atom 1: phi = -0.472571591618 TCL: Center of mass = -0.126477126139 0.302534846452 -1.02279127671 TCL: atom 1: phi = -0.473388002528 TCL: Center of mass = -0.125052874959 0.302457298652 -1.02289627691 TCL: atom 1: phi = -0.474337387345 TCL: Center of mass = -0.123619963546 0.302389239449 -1.02299970343 TCL: atom 1: phi = -0.474956436948 TCL: Center of mass = -0.122182555139 0.302319099706 -1.02311035833 TCL: atom 1: phi = -0.475632932801 TCL: Center of mass = -0.120748877866 0.302248824146 -1.02322326044 TCL: atom 1: phi = -0.476024777021 TCL: Center of mass = -0.119315175035 0.302169727927 -1.02333349041 TCL: atom 1: phi = -0.476356663305 TCL: Center of mass = -0.117881440277 0.302094383519 -1.02344586445 TCL: atom 1: phi = -0.476232208102 TCL: Center of mass = -0.116443335563 0.302021818512 -1.02356450663 TCL: atom 1: phi = -0.475956052688 TCL: Center of mass = -0.115007352988 0.301958608646 -1.02367718601 TCL: atom 1: phi = -0.47524048956 TCL: Center of mass = -0.113585919652 0.301886638928 -1.02379042184 TCL: atom 1: phi = -0.474504227524 TCL: Center of mass = -0.112165384295 0.301828504575 -1.02391924588 TCL: atom 1: phi = -0.473540956936 TCL: Center of mass = -0.110743660014 0.301771726504 -1.0240421002 TCL: atom 1: phi = -0.472782835399 TCL: Center of mass = -0.109316166312 0.301727786483 -1.02416584582 TCL: atom 1: phi = -0.471913349809 TCL: Center of mass = -0.107877743643 0.301679426631 -1.02428155887 TCL: atom 1: phi = -0.471351800412 TCL: Center of mass = -0.106437117538 0.301631980066 -1.02438822725 TCL: atom 1: phi = -0.470740844887 TCL: Center of mass = -0.104988739855 0.301583988141 -1.02449117377 TCL: atom 1: phi = -0.470425719273 TCL: Center of mass = -0.103536816962 0.301535528644 -1.02459964184 TCL: atom 1: phi = -0.469986856181 TCL: Center of mass = -0.102085404089 0.30149203022 -1.02470188693 TCL: atom 1: phi = -0.46980096673 TCL: Center of mass = -0.100633325276 0.301442265596 -1.02479854425 TCL: atom 1: phi = -0.469440789329 TCL: Center of mass = -0.0991736617723 0.301387219199 -1.02490466975 TCL: atom 1: phi = -0.469340507155 TCL: Center of mass = -0.0977206464425 0.301336201093 -1.02501731552 TCL: atom 1: phi = -0.469112738271 TCL: Center of mass = -0.0962687875116 0.301289319871 -1.02513960097 TCL: atom 1: phi = -0.469161703754 TCL: Center of mass = -0.0948095920742 0.30124384137 -1.02526148916 TCL: atom 1: phi = -0.469023513933 TCL: Center of mass = -0.0933530289497 0.301197402146 -1.02538403813 TCL: atom 1: phi = -0.469061539989 TCL: Center of mass = -0.0918895487883 0.301143071909 -1.0255045712 TCL: atom 1: phi = -0.468841996111 TCL: Center of mass = -0.0904153088399 0.301077821882 -1.02562647336 TCL: atom 1: phi = -0.468702839408 TCL: Center of mass = -0.0889515087199 0.301012109864 -1.02575184356 TCL: atom 1: phi = -0.468214068347 TCL: Center of mass = -0.0874889520128 0.300956342261 -1.02587554531 TCL: atom 1: phi = -0.467718209662 TCL: Center of mass = -0.0860213400414 0.300905229589 -1.02600781486 TCL: atom 1: phi = -0.466791337394 TCL: Center of mass = -0.0845584192684 0.300858280951 -1.0261248031 TCL: atom 1: phi = -0.465952636212 TCL: Center of mass = -0.0830917815275 0.300805899455 -1.02623817103 TCL: atom 1: phi = -0.464802384094 TCL: Center of mass = -0.0816274815965 0.300747303783 -1.02636385042 TCL: atom 1: phi = -0.463879640012 TCL: Center of mass = -0.0801617722197 0.300699770138 -1.02648898376 TCL: atom 1: phi = -0.462740588031 TCL: Center of mass = -0.078683842742 0.300649066994 -1.0266071307 TCL: atom 1: phi = -0.461861853708 TCL: Center of mass = -0.0771951848074 0.30059639939 -1.02672769017 TCL: atom 1: phi = -0.460896663189 TCL: Center of mass = -0.0757192215369 0.300549054725 -1.02683589384 TCL: atom 1: phi = -0.460311233411 TCL: Center of mass = -0.0742454174994 0.300501741862 -1.02694710848 TCL: atom 1: phi = -0.459573797172 TCL: Center of mass = -0.0727501709194 0.300447443153 -1.02705322593 TCL: atom 1: phi = -0.459149486117 TCL: Center of mass = -0.0712433281087 0.300386838651 -1.02715424686 TCL: atom 1: phi = -0.458530912109 TCL: Center of mass = -0.0697292142752 0.300324905923 -1.02726148783 TCL: atom 1: phi = -0.458248424697 TCL: Center of mass = -0.068212662802 0.300269681994 -1.02736985787 TCL: atom 1: phi = -0.457753973469 TCL: Center of mass = -0.0666980283625 0.300218377479 -1.02749643455 TCL: atom 1: phi = -0.457589678607 TCL: Center of mass = -0.0651785464017 0.300169942279 -1.02762396126 TCL: atom 1: phi = -0.457182749129 TCL: Center of mass = -0.0636607146958 0.300126170027 -1.02776080002 TCL: atom 1: phi = -0.457049295398 TCL: Center of mass = -0.062137275273 0.30009368045 -1.02788672439 TCL: atom 1: phi = -0.456539247562 TCL: Center of mass = -0.060611894597 0.300067215443 -1.02800088043 TCL: atom 1: phi = -0.456235926654 TCL: Center of mass = -0.0590850985249 0.300037837201 -1.02810757664 TCL: atom 1: phi = -0.455451985767 TCL: Center of mass = -0.0575539455367 0.299999836232 -1.02821574909 TCL: atom 1: phi = -0.45485607468 TCL: Center of mass = -0.0560164479061 0.299973714902 -1.0283259064 TCL: atom 1: phi = -0.453880227161 TCL: Center of mass = -0.0544705108636 0.299953669227 -1.02844192375 TCL: atom 1: phi = -0.453159432319 TCL: Center of mass = -0.0529256621454 0.299929785639 -1.02857057557 TCL: atom 1: phi = -0.452164171482 TCL: Center of mass = -0.051385711809 0.299903329147 -1.02869231309 TCL: atom 1: phi = -0.451602825766 TCL: Center of mass = -0.0498441188985 0.299873642771 -1.02881260926 TCL: atom 1: phi = -0.450872594521 TCL: Center of mass = -0.0482967179274 0.299838930983 -1.0289294276 TCL: atom 1: phi = -0.450625712293 TCL: Center of mass = -0.0467466941721 0.299807754363 -1.02904893065 TCL: atom 1: phi = -0.45020639566 TCL: Center of mass = -0.0452019356381 0.299774113972 -1.02916624124 TCL: atom 1: phi = -0.450204215282 TCL: Center of mass = -0.0436589392489 0.299742538643 -1.02928812073 TCL: atom 1: phi = -0.450060591697 TCL: Center of mass = -0.0421106617074 0.299704606689 -1.02941277404 TCL: atom 1: phi = -0.450345822426 TCL: Center of mass = -0.0405483179151 0.299662576411 -1.02954582832 TCL: atom 1: phi = -0.450463055228 TCL: Center of mass = -0.0389738468477 0.299623656988 -1.02968308373 TCL: atom 1: phi = -0.451071219331 TCL: Center of mass = -0.0374052208656 0.299576235105 -1.02980831719 TCL: atom 1: phi = -0.451584588034 TCL: Center of mass = -0.0358399598821 0.299524274558 -1.02993311405 TCL: atom 1: phi = -0.452630130797 TCL: Center of mass = -0.0342602982093 0.299478307626 -1.03005741683 TCL: atom 1: phi = -0.453563833954 TCL: Center of mass = -0.0326709970451 0.299443242001 -1.03019358987 TCL: atom 1: phi = -0.454876493485 TCL: Center of mass = -0.0310813213889 0.299401666015 -1.03033273874 TCL: atom 1: phi = -0.455892077692 TCL: Center of mass = -0.0294862821826 0.299356977747 -1.03046939353 TCL: atom 1: phi = -0.457025930192 TCL: Center of mass = -0.0278914130391 0.299318794271 -1.03058833507 TCL: atom 1: phi = -0.457730413723 TCL: Center of mass = -0.0262949810076 0.299283999164 -1.03070413773 TCL: atom 1: phi = -0.458440679849 TCL: Center of mass = -0.0246967745095 0.299241747096 -1.03080328057 TCL: atom 1: phi = -0.458725472069 TCL: Center of mass = -0.0231003078484 0.299192949476 -1.03091676102 TCL: atom 1: phi = -0.459077230737 TCL: Center of mass = -0.0215056609594 0.299137127567 -1.031025894 TCL: atom 1: phi = -0.459076098507 TCL: Center of mass = -0.0199057788715 0.299069053215 -1.03113559927 TCL: atom 1: phi = -0.459251289055 TCL: Center of mass = -0.0182955157892 0.299003768645 -1.03124078862 TCL: atom 1: phi = -0.459180117735 TCL: Center of mass = -0.0166893354932 0.2989366607 -1.03133832885 TCL: atom 1: phi = -0.459301126137 TCL: Center of mass = -0.0150933341849 0.298865579973 -1.03144406546 TCL: atom 1: phi = -0.459161430002 TCL: Center of mass = -0.0134929091485 0.298797014701 -1.03155364128 TCL: atom 1: phi = -0.45918140988 TCL: Center of mass = -0.0118859703216 0.298723461214 -1.03166795895 TCL: atom 1: phi = -0.458788352057 TCL: Center of mass = -0.0102714997933 0.298642720114 -1.0317856291 TCL: atom 1: phi = -0.458551830709 TCL: Center of mass = -0.00866094323064 0.298560833631 -1.03190368073 TCL: atom 1: phi = -0.458052112427 TCL: Center of mass = -0.00704976179381 0.298490446134 -1.03202072832 TCL: atom 1: phi = -0.457771366875 TCL: Center of mass = -0.00543388478464 0.298418032261 -1.03212955415 TCL: atom 1: phi = -0.457274863527 TCL: Center of mass = -0.00380088941346 0.298351714596 -1.03223288433 TCL: atom 1: phi = -0.45707726353 TCL: Center of mass = -0.00216031612875 0.298290012618 -1.03233214177 TCL: atom 1: phi = -0.456689667218 TCL: Center of mass = -0.000525029942134 0.298220734389 -1.032440454 TCL: atom 1: phi = -0.456591744025 TCL: Center of mass = 0.00110848198355 0.298147045592 -1.03255476513 TCL: atom 1: phi = -0.456228276425 TCL: Center of mass = 0.00274876162892 0.298070161648 -1.03268178837 TCL: atom 1: phi = -0.456061961474 TCL: Center of mass = 0.00439320460395 0.297987178295 -1.0328116951 TCL: atom 1: phi = -0.455541036921 TIMING: 700 CPU: 118.807, 0.168224/step Wall: 144.823, 0.205966/step, 1.1042 hours remaining, 20260 kB of memory in use. ENERGY: 700 402.9270 658.6443 405.8191 52.3356 -2785.3024 -204.8839 0.0000 0.0000 1100.2234 -370.2368 299.8417 -362.0656 -359.6062 288.1988 -22.1568 -119.1039 64000.0000 -77.8616 -75.4956 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700 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 TCL: Center of mass = 0.00603023806179 0.297910502544 -1.03294545649 TCL: atom 1: phi = -0.455203214447 TCL: Center of mass = 0.00767445716162 0.297830248003 -1.03308012061 TCL: atom 1: phi = -0.454520682761 TCL: Center of mass = 0.00931494814715 0.297751997306 -1.03319941608 TCL: atom 1: phi = -0.454212129355 TCL: Center of mass = 0.0109579941245 0.297677490948 -1.03331429586 TCL: atom 1: phi = -0.453762403285 TCL: Center of mass = 0.012598238976 0.297600875321 -1.03342553889 TCL: atom 1: phi = -0.453753342559 TCL: Center of mass = 0.0142411565208 0.297532268215 -1.03353223007 TCL: atom 1: phi = -0.453662334912 TCL: Center of mass = 0.0158833273162 0.297450794604 -1.03364077694 TCL: atom 1: phi = -0.454000551511 TCL: Center of mass = 0.017533827452 0.297377827615 -1.03374896791 TCL: atom 1: phi = -0.454207878637 TCL: Center of mass = 0.0191825267177 0.297306091698 -1.03385303152 TCL: atom 1: phi = -0.454718653086 TCL: Center of mass = 0.0208339816598 0.297238042592 -1.03396837965 TCL: atom 1: phi = -0.454957156114 TCL: Center of mass = 0.0224837949272 0.297171326519 -1.03408307569 TCL: atom 1: phi = -0.455408933431 TCL: Center of mass = 0.0241255456884 0.297095015522 -1.03420005385 TCL: atom 1: phi = -0.45559171144 TCL: Center of mass = 0.0257624940055 0.297011773853 -1.03430757915 TCL: atom 1: phi = -0.456064750316 TCL: Center of mass = 0.0274056390223 0.296927958559 -1.03442114378 TCL: atom 1: phi = -0.456405884066 TCL: Center of mass = 0.0290499377075 0.296849871052 -1.0345422672 TCL: atom 1: phi = -0.457072841411 TCL: Center of mass = 0.0307012995578 0.296760833132 -1.03467190995 TCL: atom 1: phi = -0.457672915253 TCL: Center of mass = 0.0323660860472 0.296669955675 -1.03479559227 TCL: atom 1: phi = -0.458506804069 TCL: Center of mass = 0.0340405450571 0.296570413024 -1.03491913211 TCL: atom 1: phi = -0.459075860882 TCL: Center of mass = 0.0357167107477 0.296459949924 -1.03503863493 TCL: atom 1: phi = -0.459674133002 TCL: Center of mass = 0.0374054909604 0.29635307347 -1.03515350559 TCL: atom 1: phi = -0.459837021359 TCL: Center of mass = 0.0390959317469 0.296250400778 -1.03525992529 TCL: atom 1: phi = -0.459899510305 TCL: Center of mass = 0.0407997584726 0.296141695774 -1.03537895728 TCL: atom 1: phi = -0.459534299077 TCL: Center of mass = 0.0425158819786 0.296030836075 -1.03550732252 TCL: atom 1: phi = -0.459155747607 TCL: Center of mass = 0.0442413210484 0.295918220926 -1.03562708647 TCL: atom 1: phi = -0.458516575622 TCL: Center of mass = 0.0459716402052 0.295802679796 -1.03575176669 TCL: atom 1: phi = -0.457975780261 TCL: Center of mass = 0.0476975931364 0.29569633592 -1.03588478132 TCL: atom 1: phi = -0.457274164534 TCL: Center of mass = 0.0494190764607 0.295593136988 -1.03601678931 TCL: atom 1: phi = -0.45678275932 TCL: Center of mass = 0.0511474866351 0.295488122721 -1.03614734111 TCL: atom 1: phi = -0.45612528322 TCL: Center of mass = 0.0528802396666 0.295378342208 -1.03627262563 TCL: atom 1: phi = -0.455619154296 TCL: Center of mass = 0.0546168348422 0.295282432091 -1.0363976702 TCL: atom 1: phi = -0.454831008264 TCL: Center of mass = 0.0563577457665 0.295188563579 -1.03652988288 TCL: atom 1: phi = -0.454192047075 TCL: Center of mass = 0.0581076043361 0.295101188922 -1.03665797149 TCL: atom 1: phi = -0.453313652033 TCL: Center of mass = 0.0598641088225 0.2950215226 -1.03678611288 TCL: atom 1: phi = -0.452610655447 TCL: Center of mass = 0.0616153604668 0.294947749759 -1.03692549425 TCL: atom 1: phi = -0.451906219169 TCL: Center of mass = 0.0633716675602 0.29489441235 -1.03706907573 TCL: atom 1: phi = -0.451611134556 TCL: Center of mass = 0.0651291363425 0.29484761626 -1.03720905594 TCL: atom 1: phi = -0.451432440779 TCL: Center of mass = 0.0668748975324 0.294802810722 -1.03736992982 TCL: atom 1: phi = -0.451642767079 TCL: Center of mass = 0.0686218414304 0.294748355726 -1.03754007974 TCL: atom 1: phi = -0.451773785092 TCL: Center of mass = 0.0703751840589 0.294698426576 -1.03770217592 TCL: atom 1: phi = -0.452159378897 TCL: Center of mass = 0.0721407473866 0.294650742875 -1.03785493254 TCL: atom 1: phi = -0.452304667891 TCL: Center of mass = 0.0739023760821 0.294594790595 -1.03801037719 TCL: atom 1: phi = -0.452612512108 TCL: Center of mass = 0.0756773256252 0.294531458699 -1.0381586257 TCL: atom 1: phi = -0.452637865754 TCL: Center of mass = 0.0774513224242 0.294466379765 -1.03829667485 TCL: atom 1: phi = -0.452828553255 TCL: Center of mass = 0.0792372938514 0.294399241594 -1.03843313809 TCL: atom 1: phi = -0.452826595908 TCL: Center of mass = 0.0810337250744 0.294346615628 -1.03857985572 TCL: atom 1: phi = -0.45306232384 TCL: Center of mass = 0.0828322037379 0.294293160825 -1.03872593774 TCL: atom 1: phi = -0.453152123629 TCL: Center of mass = 0.0846278039642 0.294227648752 -1.03887932893 TCL: atom 1: phi = -0.453499262308 TCL: Center of mass = 0.0864255182521 0.294159044204 -1.03902324486 TCL: atom 1: phi = -0.453700708258 TCL: Center of mass = 0.0882186867786 0.294093350087 -1.03917100773 TCL: atom 1: phi = -0.454096881982 TCL: Center of mass = 0.0900164261046 0.294031024728 -1.03932739907 TCL: atom 1: phi = -0.4541743879 TCL: Center of mass = 0.0918082497429 0.293971414948 -1.03949102971 TCL: atom 1: phi = -0.454331765427 TCL: Center of mass = 0.093603609979 0.293916179213 -1.03966502727 TCL: atom 1: phi = -0.454119665383 TCL: Center of mass = 0.0953880034898 0.293878101601 -1.03984186172 TCL: atom 1: phi = -0.454030711596 TCL: Center of mass = 0.097171832386 0.293835063504 -1.04001034715 TCL: atom 1: phi = -0.453675308591 TCL: Center of mass = 0.0989512866455 0.293794485339 -1.04018380697 TCL: atom 1: phi = -0.453524950824 TCL: Center of mass = 0.100723316218 0.293747064867 -1.04035701649 TCL: atom 1: phi = -0.45320119349 TCL: Center of mass = 0.102491747546 0.293707661909 -1.04053912482 TCL: atom 1: phi = -0.453145183915 TCL: Center of mass = 0.104259615394 0.293676027743 -1.04071654898 TCL: atom 1: phi = -0.452885853592 TCL: Center of mass = 0.106036689762 0.293633239435 -1.0409019975 TCL: atom 1: phi = -0.452869348622 TCL: Center of mass = 0.107816710664 0.293595586506 -1.04109442952 TCL: atom 1: phi = -0.452505035003 TCL: Center of mass = 0.109589004461 0.293555054371 -1.04128418033 TCL: atom 1: phi = -0.452265994167 TCL: Center of mass = 0.111366130947 0.293515122895 -1.04147573399 TCL: atom 1: phi = -0.451651807154 TCL: Center of mass = 0.113153725648 0.293479230679 -1.04166978553 TCL: atom 1: phi = -0.451151823173 TCL: Center of mass = 0.114935084802 0.293459363042 -1.04186010982 TCL: atom 1: phi = -0.450334464929 TCL: Center of mass = 0.116724846036 0.293455843718 -1.0420447251 TCL: atom 1: phi = -0.449811992617 TCL: Center of mass = 0.118517330041 0.293435737636 -1.04222778965 TCL: atom 1: phi = -0.449070918258 TCL: Center of mass = 0.120299835229 0.293417397514 -1.04240802285 TCL: atom 1: phi = -0.44865094723 TCL: Center of mass = 0.122087561161 0.293395725888 -1.04258841434 TCL: atom 1: phi = -0.448055902812 TCL: Center of mass = 0.123864043423 0.293371449313 -1.04276474703 TCL: atom 1: phi = -0.447810585912 TCL: Center of mass = 0.125632233962 0.293335248261 -1.04293629014 TCL: atom 1: phi = -0.44738540611 TCL: Center of mass = 0.127410588396 0.29329857342 -1.04310350744 TCL: atom 1: phi = -0.447242180747 TCL: Center of mass = 0.129182486195 0.29325838616 -1.04326861583 TCL: atom 1: phi = -0.446821872268 TCL: Center of mass = 0.130944268016 0.293207814279 -1.04343441716 TCL: atom 1: phi = -0.44676206891 TCL: Center of mass = 0.13271072662 0.293158246725 -1.04360708771 TCL: atom 1: phi = -0.446511667138 TCL: Center of mass = 0.134465330241 0.293116409725 -1.043776624 TCL: atom 1: phi = -0.446712003056 TCL: Center of mass = 0.136223192629 0.293073816997 -1.04394755976 TCL: atom 1: phi = -0.446807117399 TCL: Center of mass = 0.137982422691 0.293025735144 -1.0441223982 TCL: atom 1: phi = -0.447390964514 TCL: Center of mass = 0.139743729898 0.292979418575 -1.0443096026 TCL: atom 1: phi = -0.447845119403 TCL: Center of mass = 0.141500845547 0.292926002545 -1.04449832516 TCL: atom 1: phi = -0.448733768608 TCL: Center of mass = 0.143262019123 0.292875497493 -1.04470433311 TCL: atom 1: phi = -0.449422572396 TCL: Center of mass = 0.14502203548 0.29282066507 -1.04491339799 TCL: atom 1: phi = -0.450411099029 TCL: Center of mass = 0.146790918174 0.292760476508 -1.04511537277 TCL: atom 1: phi = -0.451086932127 TCL: Center of mass = 0.148559562049 0.292694432757 -1.04530982459 TCL: atom 1: phi = -0.452037140712 TCL: Center of mass = 0.15032299948 0.292632275146 -1.04550038666 TCL: atom 1: phi = -0.45267207271 TCL: Center of mass = 0.152082186292 0.292574146826 -1.0456806062 TCL: atom 1: phi = -0.453510976292 TCL: Center of mass = 0.153848027135 0.292514032525 -1.04586527905 TCL: atom 1: phi = -0.454079872569 TCL: Center of mass = 0.155612584186 0.292447753388 -1.0460409782 TCL: atom 1: phi = -0.454936772007 TCL: Center of mass = 0.157371997539 0.292387693816 -1.04621559554 TCL: atom 1: phi = -0.455547788669 TCL: Center of mass = 0.159118006752 0.292334699997 -1.0463857707 TCL: atom 1: phi = -0.456465286997 TCL: Center of mass = 0.160871810425 0.292282636132 -1.04655965203 TCL: atom 1: phi = -0.457156946037 TCL: Center of mass = 0.162629142112 0.292236374947 -1.04672773058 TCL: atom 1: phi = -0.458026379109 TCL: Center of mass = 0.164382398656 0.292189810702 -1.04690384799 TCL: atom 1: phi = -0.458591797135 TCL: Center of mass = 0.166139658964 0.292144882616 -1.04707670706 TCL: atom 1: phi = -0.459330046201 TCL: Center of mass = 0.16789781757 0.29211238831 -1.04724576566 TCL: atom 1: phi = -0.459737989368 TCL: Center of mass = 0.169658830515 0.29208081422 -1.0474101745 TCL: atom 1: phi = -0.460241556176 TCL: Center of mass = 0.171422795961 0.292044671438 -1.04757022328 TCL: atom 1: phi = -0.460429737315 TCL: Center of mass = 0.173182809775 0.29201431902 -1.04772804891 TCL: atom 1: phi = -0.460811307191 TCL: Center of mass = 0.174941953082 0.291984892079 -1.04788669281 TCL: atom 1: phi = -0.46089513128 TCL: Center of mass = 0.1767010296 0.291960831874 -1.0480399794 TCL: atom 1: phi = -0.461176447184 TCL: Center of mass = 0.178447365001 0.291933526175 -1.04818661123 TCL: atom 1: phi = -0.461167373818 TIMING: 800 CPU: 135.638, 0.168314/step Wall: 165.449, 0.206261/step, 1.10006 hours remaining, 20261 kB of memory in use. ENERGY: 800 389.3137 714.1708 412.0699 39.2409 -2807.1481 -209.3293 0.0000 0.0000 1085.0227 -376.6594 295.6990 -367.6881 -368.4734 293.7610 374.3629 101.6435 64000.0000 -157.5748 -157.9219 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800 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 TCL: Center of mass = 0.180218027189 0.291897265977 -1.04832623807 TCL: atom 1: phi = -0.461362372387 TCL: Center of mass = 0.181991639968 0.291853009435 -1.04846414521 TCL: atom 1: phi = -0.461301899543 TCL: Center of mass = 0.183765503716 0.291807303298 -1.04860656125 TCL: atom 1: phi = -0.461400037565 TCL: Center of mass = 0.185538648935 0.291753380105 -1.04874703618 TCL: atom 1: phi = -0.461234040947 TCL: Center of mass = 0.187305027906 0.291701309962 -1.04888886968 TCL: atom 1: phi = -0.461297611055 TCL: Center of mass = 0.189076109857 0.291657015425 -1.0490207845 TCL: atom 1: phi = -0.461091813049 TCL: Center of mass = 0.190848180353 0.291606693676 -1.04916222307 TCL: atom 1: phi = -0.461171695755 TCL: Center of mass = 0.192613429012 0.291557001455 -1.04929369622 TCL: atom 1: phi = -0.461047248522 TCL: Center of mass = 0.194376649928 0.291496047443 -1.04942367987 TCL: atom 1: phi = -0.46129494649 TCL: Center of mass = 0.19614672306 0.29143022001 -1.04955712961 TCL: atom 1: phi = -0.461394356421 TCL: Center of mass = 0.197921556705 0.29136749285 -1.0496872501 TCL: atom 1: phi = -0.461873893395 TCL: Center of mass = 0.199682173516 0.291314876209 -1.04981455187 TCL: atom 1: phi = -0.462224814122 TCL: Center of mass = 0.201440103973 0.291260945753 -1.04994930031 TCL: atom 1: phi = -0.462934509764 TCL: Center of mass = 0.203196403546 0.291211898709 -1.05008890996 TCL: atom 1: phi = -0.463447814836 TCL: Center of mass = 0.204951205557 0.291162396268 -1.05024115277 TCL: atom 1: phi = -0.464287765501 TCL: Center of mass = 0.206695466127 0.291113038502 -1.05039537502 TCL: atom 1: phi = -0.465003316312 TCL: Center of mass = 0.208428949398 0.291058008416 -1.05054686138 TCL: atom 1: phi = -0.466056552289 TCL: Center of mass = 0.210173375766 0.29100881022 -1.05070720536 TCL: atom 1: phi = -0.467004689721 TCL: Center of mass = 0.21192005627 0.290973499486 -1.05087037432 TCL: atom 1: phi = -0.468219534634 TCL: Center of mass = 0.213646943505 0.290935169747 -1.05102728509 TCL: atom 1: phi = -0.469316240461 TCL: Center of mass = 0.215375662032 0.290896479677 -1.05117622345 TCL: atom 1: phi = -0.470613628626 TCL: Center of mass = 0.217096192202 0.290857390782 -1.05133332155 TCL: atom 1: phi = -0.471729131064 TCL: Center of mass = 0.218820764319 0.290812297036 -1.05149000573 TCL: atom 1: phi = -0.473029622415 TCL: Center of mass = 0.220561122404 0.290760592761 -1.0516405618 TCL: atom 1: phi = -0.474100166552 TCL: Center of mass = 0.222304434151 0.290707618343 -1.05180336264 TCL: atom 1: phi = -0.475287041666 TCL: Center of mass = 0.224046519236 0.290655710019 -1.05196466552 TCL: atom 1: phi = -0.476240559849 TCL: Center of mass = 0.225788753821 0.290601770698 -1.05213115198 TCL: atom 1: phi = -0.477254928559 TCL: Center of mass = 0.227530050752 0.29053644221 -1.05228886103 TCL: atom 1: phi = -0.477919903169 TCL: Center of mass = 0.229271967061 0.290467579732 -1.0524471149 TCL: atom 1: phi = -0.478688036328 TCL: Center of mass = 0.231016592492 0.290404224181 -1.05260724593 TCL: atom 1: phi = -0.479113951486 TCL: Center of mass = 0.232762470604 0.290347738245 -1.05276943516 TCL: atom 1: phi = -0.479634214986 TCL: Center of mass = 0.234509328826 0.290298081908 -1.05291949816 TCL: atom 1: phi = -0.479888847826 TCL: Center of mass = 0.236253281421 0.290234439522 -1.05308161798 TCL: atom 1: phi = -0.48029114497 TCL: Center of mass = 0.23799340043 0.290178588255 -1.05323388679 TCL: atom 1: phi = -0.480368183541 TCL: Center of mass = 0.239733631867 0.29013667302 -1.05339237771 TCL: atom 1: phi = -0.480553626382 TCL: Center of mass = 0.241469259566 0.290100162854 -1.05356181723 TCL: atom 1: phi = -0.480370723732 TCL: Center of mass = 0.243200299338 0.290069227503 -1.05373337786 TCL: atom 1: phi = -0.480327051055 TCL: Center of mass = 0.244942185004 0.290056299298 -1.05389814823 TCL: atom 1: phi = -0.479970623808 TCL: Center of mass = 0.246675551638 0.290040142468 -1.05406188885 TCL: atom 1: phi = -0.479741556717 TCL: Center of mass = 0.248412109995 0.29002765576 -1.05423555865 TCL: atom 1: phi = -0.479225806005 TCL: Center of mass = 0.250153075306 0.290016755724 -1.05442829052 TCL: atom 1: phi = -0.478976719797 TCL: Center of mass = 0.251907603783 0.289994080569 -1.05461934243 TCL: atom 1: phi = -0.478533853479 TCL: Center of mass = 0.253666739079 0.28997730718 -1.05482345285 TCL: atom 1: phi = -0.478483513364 TCL: Center of mass = 0.255432024124 0.289973034445 -1.05502743117 TCL: atom 1: phi = -0.478220356826 TCL: Center of mass = 0.257196508416 0.289975792031 -1.05522297882 TCL: atom 1: phi = -0.478377955016 TCL: Center of mass = 0.25895480758 0.289987847477 -1.05541610388 TCL: atom 1: phi = -0.478294560918 TCL: Center of mass = 0.260708876766 0.289993084381 -1.05560434834 TCL: atom 1: phi = -0.478515699044 TCL: Center of mass = 0.262450314697 0.289996490553 -1.05578844497 TCL: atom 1: phi = -0.478401138074 TCL: Center of mass = 0.264195094845 0.290007874887 -1.05597220344 TCL: atom 1: phi = -0.478614412963 TCL: Center of mass = 0.265938816293 0.290020382765 -1.05615781215 TCL: atom 1: phi = -0.478519117185 TCL: Center of mass = 0.267686173553 0.290043239946 -1.05634381763 TCL: atom 1: phi = -0.47871178608 TCL: Center of mass = 0.269435634642 0.290064939622 -1.05654552959 TCL: atom 1: phi = -0.47862399091 TCL: Center of mass = 0.271184169843 0.290098437882 -1.05674929074 TCL: atom 1: phi = -0.478959934945 TCL: Center of mass = 0.272930958163 0.290128060227 -1.0569521546 TCL: atom 1: phi = -0.47901425869 TCL: Center of mass = 0.27468321014 0.290173437869 -1.05714509159 TCL: atom 1: phi = -0.479458363931 TCL: Center of mass = 0.276429658183 0.29021994434 -1.05733141983 TCL: atom 1: phi = -0.479534485894 TCL: Center of mass = 0.278165030589 0.290265339992 -1.0575109285 TCL: atom 1: phi = -0.479939865584 TCL: Center of mass = 0.27991021697 0.290301585674 -1.05768337287 TCL: atom 1: phi = -0.479953397153 TCL: Center of mass = 0.281659997043 0.290346613635 -1.05785451721 TCL: atom 1: phi = -0.480261813669 TCL: Center of mass = 0.283414937441 0.29038607065 -1.05804451447 TCL: atom 1: phi = -0.480227140732 TCL: Center of mass = 0.28516463355 0.290417905729 -1.05823447551 TCL: atom 1: phi = -0.480462247103 TCL: Center of mass = 0.286910429114 0.29045954767 -1.05842662167 TCL: atom 1: phi = -0.480409437907 TCL: Center of mass = 0.288660890833 0.290510585971 -1.05860988382 TCL: atom 1: phi = -0.480741964931 TCL: Center of mass = 0.290416355894 0.290553793866 -1.05879161118 TCL: atom 1: phi = -0.480880874457 TCL: Center of mass = 0.292179385696 0.290598131976 -1.05897500625 TCL: atom 1: phi = -0.481528272856 TCL: Center of mass = 0.293935531705 0.290647220176 -1.05915520893 TCL: atom 1: phi = -0.482011367714 TCL: Center of mass = 0.295685913409 0.290695401526 -1.0593286695 TCL: atom 1: phi = -0.482880808144 TCL: Center of mass = 0.297425479966 0.290746585488 -1.05949486044 TCL: atom 1: phi = -0.483373928984 TCL: Center of mass = 0.29916540027 0.290791414841 -1.05965302799 TCL: atom 1: phi = -0.484059498704 TCL: Center of mass = 0.300903172237 0.290845768731 -1.05981261852 TCL: atom 1: phi = -0.48429065776 TCL: Center of mass = 0.302650149799 0.290897724063 -1.05996745931 TCL: atom 1: phi = -0.484659862661 TCL: Center of mass = 0.304409140672 0.290949165489 -1.06012899252 TCL: atom 1: phi = -0.484609546884 TCL: Center of mass = 0.306162076972 0.29099999518 -1.06028669926 TCL: atom 1: phi = -0.484834704119 TCL: Center of mass = 0.307911035011 0.29104249285 -1.06044206998 TCL: atom 1: phi = -0.484762421002 TCL: Center of mass = 0.309663150996 0.29108632607 -1.06059942153 TCL: atom 1: phi = -0.484978523058 TCL: Center of mass = 0.311416572676 0.291125601206 -1.0607744609 TCL: atom 1: phi = -0.484820185728 TCL: Center of mass = 0.313183005102 0.291183462112 -1.06095824279 TCL: atom 1: phi = -0.484990262665 TCL: Center of mass = 0.314938545824 0.29123119681 -1.06114734775 TCL: atom 1: phi = -0.484706636979 TCL: Center of mass = 0.316706125828 0.291275676664 -1.06133396845 TCL: atom 1: phi = -0.484681937866 TCL: Center of mass = 0.318490485654 0.29131457846 -1.06151936598 TCL: atom 1: phi = -0.484238086345 TCL: Center of mass = 0.320275896664 0.291348728291 -1.06170228374 TCL: atom 1: phi = -0.484177635533 TCL: Center of mass = 0.322046859414 0.291384250346 -1.06189198328 TCL: atom 1: phi = -0.483896087694 TCL: Center of mass = 0.3238189053 0.2914251721 -1.06207832157 TCL: atom 1: phi = -0.484167338609 TCL: Center of mass = 0.325589317554 0.291471900131 -1.06227249798 TCL: atom 1: phi = -0.484339965228 TCL: Center of mass = 0.32736640734 0.291508800948 -1.06246775329 TCL: atom 1: phi = -0.485145425173 TCL: Center of mass = 0.329142385504 0.291554678718 -1.06265925912 TCL: atom 1: phi = -0.485865232687 TCL: Center of mass = 0.330932162742 0.291594373452 -1.062836606 TCL: atom 1: phi = -0.487058107875 TCL: Center of mass = 0.332726145954 0.291632187694 -1.06301892006 TCL: atom 1: phi = -0.487984834967 TCL: Center of mass = 0.334515002492 0.29167559171 -1.06320185966 TCL: atom 1: phi = -0.489220412002 TCL: Center of mass = 0.336302650688 0.291730778566 -1.06338761519 TCL: atom 1: phi = -0.490151803664 TCL: Center of mass = 0.338087243814 0.291791079056 -1.06359813994 TCL: atom 1: phi = -0.491266471596 TCL: Center of mass = 0.339866221855 0.291849252334 -1.06381136775 TCL: atom 1: phi = -0.492017976312 TCL: Center of mass = 0.341650727689 0.291904781098 -1.06401574465 TCL: atom 1: phi = -0.492967980276 TCL: Center of mass = 0.34344854152 0.291956546457 -1.06421238853 TCL: atom 1: phi = -0.493694809061 TCL: Center of mass = 0.345250710949 0.292022503476 -1.06441012392 TCL: atom 1: phi = -0.494769551902 TCL: Center of mass = 0.347044087128 0.292082783104 -1.06459760207 TCL: atom 1: phi = -0.495576624212 TCL: Center of mass = 0.348830159222 0.292140695089 -1.06478500744 TCL: atom 1: phi = -0.496720530312 TCL: Center of mass = 0.350608657428 0.292204812226 -1.06497729848 TCL: atom 1: phi = -0.497561712766 TCL: Center of mass = 0.352388856924 0.292269650425 -1.0651739264 TCL: atom 1: phi = -0.498539667761 TCL: Center of mass = 0.354179137061 0.29233239862 -1.0653743909 TCL: atom 1: phi = -0.499062753917 TIMING: 900 CPU: 152.481, 0.168424/step Wall: 186.074, 0.206251/step, 1.09428 hours remaining, 20261 kB of memory in use. ENERGY: 900 424.3509 675.0327 425.4685 45.7740 -2805.5462 -224.1938 0.0000 0.0000 1079.7762 -379.3376 294.2692 -370.7607 -370.1633 295.3949 77.7182 -155.3661 64000.0000 147.9727 145.9418 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900 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 TCL: Center of mass = 0.355973225267 0.292393263119 -1.06556665888 TCL: atom 1: phi = -0.499667251798 TCL: Center of mass = 0.357760904615 0.292462255856 -1.06575821264 TCL: atom 1: phi = -0.499995857688 TCL: Center of mass = 0.35955040722 0.292534199792 -1.06595318251 TCL: atom 1: phi = -0.500601560895 TCL: Center of mass = 0.361349385036 0.292606680287 -1.06615197907 TCL: atom 1: phi = -0.501068833766 TCL: Center of mass = 0.363143296387 0.292680624685 -1.06635205334 TCL: atom 1: phi = -0.501944543036 TCL: Center of mass = 0.364939049335 0.292758527168 -1.06656268976 TCL: atom 1: phi = -0.502821993299 TCL: Center of mass = 0.366735063731 0.292846522552 -1.06677543142 TCL: atom 1: phi = -0.504035095134 TCL: Center of mass = 0.36853310893 0.292934427397 -1.06699313518 TCL: atom 1: phi = -0.505134314858 TCL: Center of mass = 0.370330140914 0.29301115317 -1.06721168341 TCL: atom 1: phi = -0.506337348261 TCL: Center of mass = 0.372121753507 0.293101042567 -1.06742824744 TCL: atom 1: phi = -0.507225324818 TCL: Center of mass = 0.373907167022 0.293175890797 -1.0676366602 TCL: atom 1: phi = -0.508085229602 TCL: Center of mass = 0.375698646462 0.29323076086 -1.06785058222 TCL: atom 1: phi = -0.508657525754 TCL: Center of mass = 0.377486207783 0.293279454858 -1.0680658296 TCL: atom 1: phi = -0.509243022358 TCL: Center of mass = 0.379284873243 0.293317315683 -1.06827772925 TCL: atom 1: phi = -0.509584896938 TCL: Center of mass = 0.381088665255 0.293347899852 -1.06849164861 TCL: atom 1: phi = -0.509930629734 TCL: Center of mass = 0.382880993631 0.293377916304 -1.06870250993 TCL: atom 1: phi = -0.510080092879 TCL: Center of mass = 0.38468592736 0.293407598434 -1.0688995952 TCL: atom 1: phi = -0.510174314226 TCL: Center of mass = 0.386494762112 0.29343143346 -1.06909188859 TCL: atom 1: phi = -0.509923140735 TCL: Center of mass = 0.388326211332 0.293460613388 -1.06929390768 TCL: atom 1: phi = -0.509527726701 TCL: Center of mass = 0.390154034538 0.293503848505 -1.06950384723 TCL: atom 1: phi = -0.50875653474 TCL: Center of mass = 0.39198623509 0.293553416525 -1.06970942581 TCL: atom 1: phi = -0.507841403115 TCL: Center of mass = 0.393816809526 0.293601355743 -1.06991911494 TCL: atom 1: phi = -0.506604959524 TCL: Center of mass = 0.395653046826 0.29363290848 -1.07013597371 TCL: atom 1: phi = -0.505382304616 TCL: Center of mass = 0.397496129716 0.293683273674 -1.07035030899 TCL: atom 1: phi = -0.504050217187 TCL: Center of mass = 0.399328011503 0.293739108746 -1.07056570191 TCL: atom 1: phi = -0.502954692764 TCL: Center of mass = 0.40115925877 0.293787364872 -1.07077237099 TCL: atom 1: phi = -0.501820193039 TCL: Center of mass = 0.402991999252 0.29384237826 -1.07098015024 TCL: atom 1: phi = -0.501007695478 TCL: Center of mass = 0.404829494935 0.293905589431 -1.07118017321 TCL: atom 1: phi = -0.500124041374 TCL: Center of mass = 0.406675915496 0.293972394209 -1.07137541416 TCL: atom 1: phi = -0.499419765663 TCL: Center of mass = 0.408537428422 0.294033688023 -1.0715776721 TCL: atom 1: phi = -0.498528011966 TCL: Center of mass = 0.410409924741 0.294093262854 -1.07177563277 TCL: atom 1: phi = -0.497728174759 TCL: Center of mass = 0.412278109067 0.294150531444 -1.07197465549 TCL: atom 1: phi = -0.496661508477 TCL: Center of mass = 0.414156373652 0.294215317223 -1.07216643869 TCL: atom 1: phi = -0.495751427072 TCL: Center of mass = 0.416049653137 0.294283008906 -1.07235998163 TCL: atom 1: phi = -0.494611263008 TCL: Center of mass = 0.417945476846 0.294355316795 -1.07254635203 TCL: atom 1: phi = -0.493689903292 TCL: Center of mass = 0.4198372818 0.294430482924 -1.07273795934 TCL: atom 1: phi = -0.492634617173 TCL: Center of mass = 0.421727041409 0.294507323455 -1.0729308457 TCL: atom 1: phi = -0.491918046902 TCL: Center of mass = 0.423606617758 0.294580267256 -1.07312288587 TCL: atom 1: phi = -0.49106333265 TCL: Center of mass = 0.425497905256 0.294654955837 -1.0733151288 TCL: atom 1: phi = -0.490367713128 TCL: Center of mass = 0.427376191856 0.294740825429 -1.07350513504 TCL: atom 1: phi = -0.489351075025 TCL: Center of mass = 0.429249914881 0.294840029706 -1.07370026399 TCL: atom 1: phi = -0.488569486837 TCL: Center of mass = 0.431126339889 0.294926512578 -1.07389790861 TCL: atom 1: phi = -0.487466649393 TCL: Center of mass = 0.433011006204 0.295010313808 -1.0740912929 TCL: atom 1: phi = -0.486717441486 TCL: Center of mass = 0.434898772554 0.295108990447 -1.07428802659 TCL: atom 1: phi = -0.485736826137 TCL: Center of mass = 0.436787306012 0.295207561129 -1.07449017043 TCL: atom 1: phi = -0.485262374339 TCL: Center of mass = 0.438669871915 0.295313672812 -1.07469093624 TCL: atom 1: phi = -0.484762564825 TCL: Center of mass = 0.440557203302 0.295410576863 -1.0748895144 TCL: atom 1: phi = -0.484896250645 TCL: Center of mass = 0.442437812815 0.295517427479 -1.07508287957 TCL: atom 1: phi = -0.484925236548 TCL: Center of mass = 0.44432770797 0.295622946643 -1.07527176137 TCL: atom 1: phi = -0.485543799731 TCL: Center of mass = 0.44621550047 0.295714145159 -1.07547134832 TCL: atom 1: phi = -0.485965536946 TCL: Center of mass = 0.448100737072 0.295809713357 -1.07567493522 TCL: atom 1: phi = -0.486869143252 TCL: Center of mass = 0.4499692256 0.295901398286 -1.07588983783 TCL: atom 1: phi = -0.487536187521 TCL: Center of mass = 0.451837784156 0.295984677916 -1.07611532715 TCL: atom 1: phi = -0.488591226302 TCL: Center of mass = 0.453702124474 0.296074386867 -1.07633525803 TCL: atom 1: phi = -0.489352166816 TCL: Center of mass = 0.455560943395 0.296173620391 -1.07655471697 TCL: atom 1: phi = -0.490425657112 TCL: Center of mass = 0.457424054223 0.296278196405 -1.07678016013 TCL: atom 1: phi = -0.491204324773 TCL: Center of mass = 0.459297324342 0.296395395684 -1.07700451743 TCL: atom 1: phi = -0.492249775501 TCL: Center of mass = 0.461168547756 0.296516411816 -1.07722724188 TCL: atom 1: phi = -0.49289841847 TCL: Center of mass = 0.463031108543 0.296653549358 -1.07745904681 TCL: atom 1: phi = -0.493657385912 TCL: Center of mass = 0.464905827607 0.296807499805 -1.07769935175 TCL: atom 1: phi = -0.493939405926 TCL: Center of mass = 0.466788574731 0.296966412893 -1.07793353243 TCL: atom 1: phi = -0.494218625881 TCL: Center of mass = 0.468669119407 0.297127720371 -1.07817638828 TCL: atom 1: phi = -0.494013310547 TCL: Center of mass = 0.47055835374 0.297304378881 -1.07842760845 TCL: atom 1: phi = -0.493998030667 TCL: Center of mass = 0.472444669065 0.297475905269 -1.07869017094 TCL: atom 1: phi = -0.493735330788 TCL: Center of mass = 0.474327466716 0.297645262921 -1.07895509437 TCL: atom 1: phi = -0.493865639595 TCL: Center of mass = 0.476211410728 0.297811292115 -1.07919755566 TCL: atom 1: phi = -0.493910592042 TCL: Center of mass = 0.478098675395 0.297975866836 -1.07944737987 TCL: atom 1: phi = -0.494461606392 TCL: Center of mass = 0.47998351346 0.298146654462 -1.07968750852 TCL: atom 1: phi = -0.494947930641 TCL: Center of mass = 0.48186562767 0.298325428382 -1.07993743435 TCL: atom 1: phi = -0.49591121549 TCL: Center of mass = 0.483761580837 0.298503255628 -1.080177827 TCL: atom 1: phi = -0.496719984188 TCL: Center of mass = 0.48566150838 0.298683561537 -1.08041767928 TCL: atom 1: phi = -0.497909079984 TCL: Center of mass = 0.487553638245 0.298855511205 -1.08063574918 TCL: atom 1: phi = -0.498919928838 TCL: Center of mass = 0.489444338275 0.299019749211 -1.08084856514 TCL: atom 1: phi = -0.500274999982 TCL: Center of mass = 0.49134082106 0.299184030018 -1.08106741654 TCL: atom 1: phi = -0.501464232288 TCL: Center of mass = 0.49325056375 0.299339061904 -1.08128569682 TCL: atom 1: phi = -0.503028523588 TCL: Center of mass = 0.495157458908 0.299508844088 -1.08151457189 TCL: atom 1: phi = -0.504461536202 TCL: Center of mass = 0.497058878212 0.299670271993 -1.08173914257 TCL: atom 1: phi = -0.506178488102 TCL: Center of mass = 0.49896304199 0.29984445112 -1.08194555863 TCL: atom 1: phi = -0.507632720975 TCL: Center of mass = 0.500870301733 0.300026505359 -1.08215723384 TCL: atom 1: phi = -0.509266576878 TCL: Center of mass = 0.502775185999 0.300209439754 -1.08237116049 TCL: atom 1: phi = -0.510521446565 TCL: Center of mass = 0.504675123717 0.300389775556 -1.08259254315 TCL: atom 1: phi = -0.511857350274 TCL: Center of mass = 0.506581210797 0.300555111406 -1.08281129608 TCL: atom 1: phi = -0.512887409778 TCL: Center of mass = 0.508484063281 0.300723842993 -1.08302832882 TCL: atom 1: phi = -0.514045304235 TCL: Center of mass = 0.51038513054 0.300907629454 -1.08324334094 TCL: atom 1: phi = -0.514908399427 TCL: Center of mass = 0.512301826075 0.301088537283 -1.08346086207 TCL: atom 1: phi = -0.51597341104 TCL: Center of mass = 0.51421393921 0.301270712414 -1.08368737678 TCL: atom 1: phi = -0.516801060825 TCL: Center of mass = 0.516123542069 0.301447527553 -1.08390865142 TCL: atom 1: phi = -0.517873458015 TCL: Center of mass = 0.518028713752 0.301614347972 -1.08411429326 TCL: atom 1: phi = -0.518706003687 TCL: Center of mass = 0.519931897074 0.301769526979 -1.08432566885 TCL: atom 1: phi = -0.519671988821 TCL: Center of mass = 0.521839957109 0.301930838192 -1.08453131973 TCL: atom 1: phi = -0.520328739225 TCL: Center of mass = 0.523751503157 0.302084601281 -1.08472830865 TCL: atom 1: phi = -0.520999045484 TCL: Center of mass = 0.525661565432 0.302231382283 -1.0849158337 TCL: atom 1: phi = -0.521315406855 TCL: Center of mass = 0.527565698112 0.302382273611 -1.0850998127 TCL: atom 1: phi = -0.521626367308 TCL: Center of mass = 0.529465518537 0.30252810422 -1.08528419547 TCL: atom 1: phi = -0.521654979455 TCL: Center of mass = 0.531364938611 0.30268178155 -1.08548168965 TCL: atom 1: phi = -0.521755046858 TCL: Center of mass = 0.533271381966 0.302836323768 -1.08568350268 TCL: atom 1: phi = -0.521586016476 TCL: Center of mass = 0.535169467748 0.302987646732 -1.08587973875 TCL: atom 1: phi = -0.521510930983 TCL: Center of mass = 0.53707451578 0.303145617535 -1.08607127851 TCL: atom 1: phi = -0.521127557071 TCL: Center of mass = 0.538978421798 0.30329590279 -1.08627318921 TCL: atom 1: phi = -0.520754519161 TCL: Center of mass = 0.540886565144 0.303437415082 -1.08646985493 TCL: atom 1: phi = -0.519948905187 TIMING: 1000 CPU: 169.314, 0.168334/step Wall: 206.689, 0.206154/step, 1.08803 hours remaining, 20263 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 420.0484 680.7739 406.5788 43.5458 -2767.7825 -234.0392 0.0000 0.0000 1078.0128 -372.8621 293.7886 -364.2893 -364.1337 292.6809 -128.6695 -137.9891 64000.0000 -63.8106 -60.7876 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000 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 TCL: Center of mass = 0.542805678948 0.303573693999 -1.08666928037 TCL: atom 1: phi = -0.519163788193 TCL: Center of mass = 0.544720609947 0.30370722436 -1.0868741211 TCL: atom 1: phi = -0.51802351193 TCL: Center of mass = 0.546641188949 0.303846325695 -1.0870683074 TCL: atom 1: phi = -0.517049000436 TCL: Center of mass = 0.54855841754 0.303988919027 -1.08725528697 TCL: atom 1: phi = -0.515848906811 TCL: Center of mass = 0.550483827319 0.30414086217 -1.08743152988 TCL: atom 1: phi = -0.514954267414 TCL: Center of mass = 0.55240595156 0.304310029952 -1.08760457069 TCL: atom 1: phi = -0.513995134139 TCL: Center of mass = 0.554327897685 0.304487569476 -1.08778309286 TCL: atom 1: phi = -0.513479840192 TCL: Center of mass = 0.55624605648 0.304661325317 -1.0879577447 TCL: atom 1: phi = -0.512960366233 TCL: Center of mass = 0.558170894407 0.304829651127 -1.08812594326 TCL: atom 1: phi = -0.512829490636 TCL: Center of mass = 0.56008507532 0.304996099433 -1.08829005611 TCL: atom 1: phi = -0.512620161847 TCL: Center of mass = 0.561995857436 0.305156567327 -1.08845461662 TCL: atom 1: phi = -0.512818569874 TCL: Center of mass = 0.563909963881 0.305321803606 -1.08862274995 TCL: atom 1: phi = -0.512930201594 TCL: Center of mass = 0.565837089579 0.305488356278 -1.08878908572 TCL: atom 1: phi = -0.513433175782 TCL: Center of mass = 0.567771128156 0.305654651979 -1.08896484853 TCL: atom 1: phi = -0.513865819858 TCL: Center of mass = 0.569705240678 0.305818221618 -1.08913884639 TCL: atom 1: phi = -0.514745625195 TCL: Center of mass = 0.571620508727 0.305994678873 -1.08929887032 TCL: atom 1: phi = -0.515619207835 TCL: Center of mass = 0.573527333419 0.306156772467 -1.08945647928 TCL: atom 1: phi = -0.516893744514 TCL: Center of mass = 0.575433110094 0.306312104026 -1.08960641573 TCL: atom 1: phi = -0.518022023009 TCL: Center of mass = 0.5773498709 0.306459539723 -1.08976374767 TCL: atom 1: phi = -0.519420482845 TCL: Center of mass = 0.579286601563 0.306603435312 -1.08992022187 TCL: atom 1: phi = -0.52056014502 TCL: Center of mass = 0.581217433456 0.306744467075 -1.09008004074 TCL: atom 1: phi = -0.521810360431 TCL: Center of mass = 0.583148444813 0.306886337724 -1.09024596601 TCL: atom 1: phi = -0.522732531164 TCL: Center of mass = 0.585092126127 0.307032151307 -1.09041540142 TCL: atom 1: phi = -0.523733900807 TCL: Center of mass = 0.587045727889 0.307173146364 -1.09058042298 TCL: atom 1: phi = -0.524451804551 TCL: Center of mass = 0.58899744025 0.307321403512 -1.09073893566 TCL: atom 1: phi = -0.525356634084 TCL: Center of mass = 0.590963901713 0.30746945062 -1.09089613434 TCL: atom 1: phi = -0.526027595279 TCL: Center of mass = 0.592929053531 0.307620788637 -1.0910515206 TCL: atom 1: phi = -0.526864634592 TCL: Center of mass = 0.594894726056 0.307777838457 -1.09120169463 TCL: atom 1: phi = -0.527439192502 TCL: Center of mass = 0.596856750321 0.307950283937 -1.0913534253 TCL: atom 1: phi = -0.528081077189 TCL: Center of mass = 0.598820681205 0.308107082285 -1.09152064053 TCL: atom 1: phi = -0.528366681447 TCL: Center of mass = 0.600783287144 0.308265654114 -1.09169083855 TCL: atom 1: phi = -0.528628453763 TCL: Center of mass = 0.602742250533 0.308416853068 -1.09187005408 TCL: atom 1: phi = -0.528511971628 TCL: Center of mass = 0.604706148767 0.30856163603 -1.09204401484 TCL: atom 1: phi = -0.5284857811 TCL: Center of mass = 0.60665672712 0.308698731004 -1.09222873304 TCL: atom 1: phi = -0.528215281323 TCL: Center of mass = 0.608627792941 0.308832530665 -1.09242415936 TCL: atom 1: phi = -0.528218340805 TCL: Center of mass = 0.6106069293 0.308957892723 -1.09261123143 TCL: atom 1: phi = -0.528098267104 TCL: Center of mass = 0.61259998513 0.309083296782 -1.09279401909 TCL: atom 1: phi = -0.528350780175 TCL: Center of mass = 0.61459754101 0.309215858274 -1.09298025982 TCL: atom 1: phi = -0.528464242191 TCL: Center of mass = 0.616602536582 0.309360828963 -1.09315225132 TCL: atom 1: phi = -0.528825105736 TCL: Center of mass = 0.618615579711 0.309493544314 -1.09331017938 TCL: atom 1: phi = -0.528905502179 TCL: Center of mass = 0.620632182905 0.309628043228 -1.09346818468 TCL: atom 1: phi = -0.529200893802 TCL: Center of mass = 0.622647436667 0.309760655035 -1.09363739452 TCL: atom 1: phi = -0.529170387016 TCL: Center of mass = 0.624663422023 0.309897751235 -1.09380526468 TCL: atom 1: phi = -0.529400318151 TCL: Center of mass = 0.626685498199 0.310029588464 -1.09396728746 TCL: atom 1: phi = -0.52945966519 TCL: Center of mass = 0.628704078856 0.310169655161 -1.09413743831 TCL: atom 1: phi = -0.529938860702 TCL: Center of mass = 0.630722102077 0.31030801118 -1.09431015158 TCL: atom 1: phi = -0.530359828456 TCL: Center of mass = 0.632740659672 0.31043572509 -1.09448545685 TCL: atom 1: phi = -0.531226668664 TCL: Center of mass = 0.634748076754 0.31056566074 -1.09466747477 TCL: atom 1: phi = -0.531961189504 TCL: Center of mass = 0.636747388845 0.310701470677 -1.09484150172 TCL: atom 1: phi = -0.533036735131 TCL: Center of mass = 0.63874152221 0.310848072972 -1.09502513743 TCL: atom 1: phi = -0.533824865074 TCL: Center of mass = 0.640748254774 0.311008370891 -1.0952169801 TCL: atom 1: phi = -0.53474562318 TCL: Center of mass = 0.64275316771 0.311171050555 -1.09540649974 TCL: atom 1: phi = -0.535315665681 TCL: Center of mass = 0.64475880364 0.311332357371 -1.09559515131 TCL: atom 1: phi = -0.536011523079 TCL: Center of mass = 0.646773014572 0.311491622667 -1.09577717616 TCL: atom 1: phi = -0.536423923144 TCL: Center of mass = 0.648786671952 0.311658819044 -1.09596040442 TCL: atom 1: phi = -0.537039199487 TCL: Center of mass = 0.650796204877 0.311819498778 -1.09614549879 TCL: atom 1: phi = -0.537459254061 TCL: Center of mass = 0.652806554999 0.31197902645 -1.09633202127 TCL: atom 1: phi = -0.538076814037 TCL: Center of mass = 0.654826181153 0.312135502359 -1.09653149975 TCL: atom 1: phi = -0.53844132797 TCL: Center of mass = 0.656839973287 0.312292197994 -1.09672445557 TCL: atom 1: phi = -0.538830821377 TCL: Center of mass = 0.658848482318 0.312445654233 -1.09691549778 TCL: atom 1: phi = -0.538853961819 TCL: Center of mass = 0.660851534047 0.312587586795 -1.09711624838 TCL: atom 1: phi = -0.538855373701 TCL: Center of mass = 0.662843475331 0.312711233291 -1.09730579292 TCL: atom 1: phi = -0.538358542846 TCL: Center of mass = 0.664840525474 0.312827130947 -1.09749522993 TCL: atom 1: phi = -0.537854856404 TCL: Center of mass = 0.66683423655 0.312944452754 -1.09769913738 TCL: atom 1: phi = -0.537030141421 TCL: Center of mass = 0.668820023942 0.313063990632 -1.09790016029 TCL: atom 1: phi = -0.536416940403 TCL: Center of mass = 0.670813421758 0.313175586239 -1.09810186273 TCL: atom 1: phi = -0.535624635944 TCL: Center of mass = 0.672802892062 0.313294385189 -1.09830112217 TCL: atom 1: phi = -0.535176410076 TCL: Center of mass = 0.674792563117 0.313409547629 -1.09848790683 TCL: atom 1: phi = -0.534650296849 TCL: Center of mass = 0.676778620692 0.313523071533 -1.0986803625 TCL: atom 1: phi = -0.53445458243 TCL: Center of mass = 0.67877477134 0.313633575491 -1.09886461734 TCL: atom 1: phi = -0.534093845887 TCL: Center of mass = 0.68076511594 0.313748774595 -1.09905323278 TCL: atom 1: phi = -0.533978482781 TCL: Center of mass = 0.682762804966 0.313864706781 -1.09923840896 TCL: atom 1: phi = -0.533606273935 TCL: Center of mass = 0.684751792175 0.313990478301 -1.09942934583 TCL: atom 1: phi = -0.533571204162 TCL: Center of mass = 0.686737579667 0.314118235747 -1.09961288895 TCL: atom 1: phi = -0.533343444898 TCL: Center of mass = 0.688722107064 0.314248927362 -1.09980211551 TCL: atom 1: phi = -0.533491497409 TCL: Center of mass = 0.690705764186 0.31437208298 -1.09999838089 TCL: atom 1: phi = -0.533567028236 TCL: Center of mass = 0.692694483869 0.314484335263 -1.10018647421 TCL: atom 1: phi = -0.534138993216 TCL: Center of mass = 0.694685387887 0.314593021294 -1.10038034487 TCL: atom 1: phi = -0.534654901359 TCL: Center of mass = 0.696682092276 0.314709158447 -1.10057904531 TCL: atom 1: phi = -0.53550232462 TCL: Center of mass = 0.698670703352 0.314828027823 -1.10078957684 TCL: atom 1: phi = -0.536124910512 TCL: Center of mass = 0.700659390934 0.314949858924 -1.10099749845 TCL: atom 1: phi = -0.536953799903 TCL: Center of mass = 0.702650968986 0.315068809912 -1.10120801789 TCL: atom 1: phi = -0.537391013806 TCL: Center of mass = 0.704654064012 0.315188080767 -1.1014039551 TCL: atom 1: phi = -0.53793809154 TCL: Center of mass = 0.706657818361 0.315308436765 -1.10160113186 TCL: atom 1: phi = -0.538134910009 TCL: Center of mass = 0.708652474125 0.315431558202 -1.1017987443 TCL: atom 1: phi = -0.538641227145 TCL: Center of mass = 0.710651750086 0.315544545224 -1.1019858173 TCL: atom 1: phi = -0.539001661886 TCL: Center of mass = 0.712639149074 0.31565759037 -1.10216580612 TCL: atom 1: phi = -0.539852636999 TCL: Center of mass = 0.714628037213 0.31578348158 -1.10234656545 TCL: atom 1: phi = -0.540638791224 TCL: Center of mass = 0.716609148976 0.315916600057 -1.10251605599 TCL: atom 1: phi = -0.541849431165 TCL: Center of mass = 0.718596646535 0.316032567778 -1.10268153399 TCL: atom 1: phi = -0.54288883701 TCL: Center of mass = 0.720584842528 0.316143425143 -1.1028508304 TCL: atom 1: phi = -0.544186731892 TCL: Center of mass = 0.722580174936 0.316262682811 -1.10302033306 TCL: atom 1: phi = -0.545185319649 TCL: Center of mass = 0.724582507953 0.31639079568 -1.10319715532 TCL: atom 1: phi = -0.546346615975 TCL: Center of mass = 0.726582309737 0.316521726456 -1.10337179972 TCL: atom 1: phi = -0.547221312035 TCL: Center of mass = 0.728581184858 0.316667355177 -1.10354138939 TCL: atom 1: phi = -0.54833117647 TCL: Center of mass = 0.730574197205 0.316802042085 -1.1037136158 TCL: atom 1: phi = -0.549172928439 TCL: Center of mass = 0.732555961846 0.316942832951 -1.10388261017 TCL: atom 1: phi = -0.550360854194 TCL: Center of mass = 0.734544719582 0.317084119389 -1.10405749763 TCL: atom 1: phi = -0.551251904211 TCL: Center of mass = 0.736521712598 0.317231751741 -1.10423848904 TCL: atom 1: phi = -0.552322824771 TCL: Center of mass = 0.738504693429 0.317384211631 -1.10441626195 TCL: atom 1: phi = -0.552948322945 TIMING: 1100 CPU: 186.135, 0.168204/step Wall: 227.285, 0.205955/step, 1.08126 hours remaining, 20265 kB of memory in use. ENERGY: 1100 410.8816 696.4468 407.4163 43.4465 -2787.7852 -231.2482 0.0000 0.0000 1106.3127 -354.5295 301.5012 -346.1511 -344.6870 297.7870 494.6408 580.4528 64000.0000 20.5620 24.5201 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100 WRITING COORDINATES TO DCD FILE AT STEP 1100 WRITING COORDINATES TO RESTART FILE AT STEP 1100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 0.740480711842 0.317543249493 -1.10459966799 TCL: atom 1: phi = -0.553534829517 TCL: Center of mass = 0.742460115852 0.317696402413 -1.1047791984 TCL: atom 1: phi = -0.553522896716 TCL: Center of mass = 0.744445887606 0.317841592724 -1.10496417117 TCL: atom 1: phi = -0.553423423624 TCL: Center of mass = 0.746440418462 0.317986654668 -1.10514175554 TCL: atom 1: phi = -0.552813099584 TCL: Center of mass = 0.748432554208 0.318120713256 -1.10531869857 TCL: atom 1: phi = -0.552363536897 TCL: Center of mass = 0.750432086566 0.318257153922 -1.10549449887 TCL: atom 1: phi = -0.551605024981 TCL: Center of mass = 0.752439463601 0.318389421126 -1.10566947746 TCL: atom 1: phi = -0.551258386765 TCL: Center of mass = 0.754463845009 0.31851940039 -1.10583762049 TCL: atom 1: phi = -0.550743958515 TCL: Center of mass = 0.756483264416 0.318659323122 -1.10599598079 TCL: atom 1: phi = -0.550724483071 TCL: Center of mass = 0.758506268358 0.318805383203 -1.10614606629 TCL: atom 1: phi = -0.550514249042 TCL: Center of mass = 0.760532151668 0.318952356461 -1.10629121615 TCL: atom 1: phi = -0.550656143541 TCL: Center of mass = 0.76255764973 0.319108932473 -1.10644142139 TCL: atom 1: phi = -0.550402920799 TCL: Center of mass = 0.764578135775 0.319255856327 -1.10657859634 TCL: atom 1: phi = -0.550421798401 TCL: Center of mass = 0.766591985816 0.319407502516 -1.10671439393 TCL: atom 1: phi = -0.550161112132 TCL: Center of mass = 0.768600049253 0.319557711577 -1.10684682289 TCL: atom 1: phi = -0.550336200548 TCL: Center of mass = 0.770610903099 0.319711548404 -1.1069813034 TCL: atom 1: phi = -0.55037561427 TCL: Center of mass = 0.772612652061 0.319863905066 -1.107123241 TCL: atom 1: phi = -0.551008427388 TCL: Center of mass = 0.77461838807 0.320011911774 -1.10726133757 TCL: atom 1: phi = -0.551598240128 TCL: Center of mass = 0.776623842497 0.320149328562 -1.10741191681 TCL: atom 1: phi = -0.552643769299 TCL: Center of mass = 0.778639923109 0.320273811091 -1.10757150881 TCL: atom 1: phi = -0.553380984069 TCL: Center of mass = 0.780664476993 0.320402201194 -1.1077452608 TCL: atom 1: phi = -0.554231675031 TCL: Center of mass = 0.782684226652 0.320517521476 -1.10791879281 TCL: atom 1: phi = -0.554569265285 TCL: Center of mass = 0.784705596022 0.320623440642 -1.10809732231 TCL: atom 1: phi = -0.554927457604 TCL: Center of mass = 0.786726630671 0.320735428336 -1.10828333612 TCL: atom 1: phi = -0.554759861062 TCL: Center of mass = 0.788759455357 0.320852212551 -1.10845802685 TCL: atom 1: phi = -0.554704215058 TCL: Center of mass = 0.790795723502 0.320964901223 -1.10863604765 TCL: atom 1: phi = -0.554232134744 TCL: Center of mass = 0.792829772835 0.321066197734 -1.10881734812 TCL: atom 1: phi = -0.553968609329 TCL: Center of mass = 0.794853235226 0.321152999016 -1.10900023644 TCL: atom 1: phi = -0.553401108128 TCL: Center of mass = 0.796868326065 0.32122893296 -1.10917522644 TCL: atom 1: phi = -0.553100581779 TCL: Center of mass = 0.798888602062 0.321299134849 -1.10936248612 TCL: atom 1: phi = -0.552449305521 TCL: Center of mass = 0.800906371272 0.321364057283 -1.10955538078 TCL: atom 1: phi = -0.551994361739 TCL: Center of mass = 0.802928747447 0.321431957906 -1.10975021736 TCL: atom 1: phi = -0.551158477982 TCL: Center of mass = 0.804951455686 0.321499062814 -1.10993943499 TCL: atom 1: phi = -0.550530980836 TCL: Center of mass = 0.806972863255 0.321567670554 -1.11011900011 TCL: atom 1: phi = -0.549573678254 TCL: Center of mass = 0.8089895614 0.321633788434 -1.11029066786 TCL: atom 1: phi = -0.549011133187 TCL: Center of mass = 0.811002628616 0.321711866565 -1.11045608893 TCL: atom 1: phi = -0.548273280616 TCL: Center of mass = 0.813020206405 0.321788104868 -1.11061526209 TCL: atom 1: phi = -0.54810171711 TCL: Center of mass = 0.815038872861 0.321874329537 -1.11076762477 TCL: atom 1: phi = -0.547835382043 TCL: Center of mass = 0.817060017577 0.321968860459 -1.11092695508 TCL: atom 1: phi = -0.548187467568 TCL: Center of mass = 0.819078717308 0.322054685306 -1.11109512653 TCL: atom 1: phi = -0.548431623595 TCL: Center of mass = 0.821089004746 0.322132645566 -1.11125804325 TCL: atom 1: phi = -0.549104508873 TCL: Center of mass = 0.823101646315 0.322199671333 -1.11141717902 TCL: atom 1: phi = -0.549464514393 TCL: Center of mass = 0.825120914654 0.322269281302 -1.11157917112 TCL: atom 1: phi = -0.550086748713 TCL: Center of mass = 0.827136283618 0.32233065589 -1.1117394589 TCL: atom 1: phi = -0.55036911447 TCL: Center of mass = 0.829148985415 0.322398101384 -1.1118925406 TCL: atom 1: phi = -0.550944852399 TCL: Center of mass = 0.831164325211 0.322474781685 -1.1120356645 TCL: atom 1: phi = -0.551268265173 TCL: Center of mass = 0.833183979445 0.322546811824 -1.1121726049 TCL: atom 1: phi = -0.551930755904 TCL: Center of mass = 0.835205854807 0.322616694266 -1.11230150778 TCL: atom 1: phi = -0.55240955646 TCL: Center of mass = 0.837225470698 0.32268374964 -1.11243904934 TCL: atom 1: phi = -0.553275294155 TCL: Center of mass = 0.839251402848 0.322747292556 -1.11257438105 TCL: atom 1: phi = -0.553923726516 TCL: Center of mass = 0.841269786249 0.322805117814 -1.11271996891 TCL: atom 1: phi = -0.554824787859 TCL: Center of mass = 0.843299007715 0.322874464542 -1.11286994592 TCL: atom 1: phi = -0.555374237781 TCL: Center of mass = 0.845335709347 0.322940225423 -1.11299693562 TCL: atom 1: phi = -0.556086411775 TCL: Center of mass = 0.847367198223 0.32301232461 -1.11312545327 TCL: atom 1: phi = -0.556400571351 TCL: Center of mass = 0.849396753603 0.323078623682 -1.11324935384 TCL: atom 1: phi = -0.556860706562 TCL: Center of mass = 0.851431451237 0.323145214119 -1.11337629916 TCL: atom 1: phi = -0.557052543658 TCL: Center of mass = 0.853469982218 0.323203565386 -1.1135117968 TCL: atom 1: phi = -0.557573649374 TCL: Center of mass = 0.85551111676 0.323269810386 -1.11365071957 TCL: atom 1: phi = -0.557864974937 TCL: Center of mass = 0.857547184745 0.323345798229 -1.11379020975 TCL: atom 1: phi = -0.558491613519 TCL: Center of mass = 0.859586775792 0.323417972998 -1.1139331254 TCL: atom 1: phi = -0.558975499557 TCL: Center of mass = 0.861626249674 0.323489376851 -1.11407809805 TCL: atom 1: phi = -0.559701831977 TCL: Center of mass = 0.863667667076 0.323563433182 -1.11422129081 TCL: atom 1: phi = -0.560081463856 TCL: Center of mass = 0.865705549937 0.323638345619 -1.11437272331 TCL: atom 1: phi = -0.560514469192 TCL: Center of mass = 0.867743783512 0.323703029457 -1.11453196992 TCL: atom 1: phi = -0.560534129713 TCL: Center of mass = 0.869773247522 0.323759264632 -1.1147015029 TCL: atom 1: phi = -0.560684938369 TCL: Center of mass = 0.871810242899 0.323822415033 -1.11486804789 TCL: atom 1: phi = -0.560583787067 TCL: Center of mass = 0.873857733345 0.323882623684 -1.11504101463 TCL: atom 1: phi = -0.560670466464 TCL: Center of mass = 0.87591149752 0.323945717558 -1.11521527281 TCL: atom 1: phi = -0.560684644636 TCL: Center of mass = 0.87797444907 0.324016909683 -1.11538071178 TCL: atom 1: phi = -0.561011075047 TCL: Center of mass = 0.88003838845 0.324091058603 -1.11555131594 TCL: atom 1: phi = -0.561257072273 TCL: Center of mass = 0.882108456757 0.324174147217 -1.11571887008 TCL: atom 1: phi = -0.561740815389 TCL: Center of mass = 0.88418134533 0.324244251709 -1.11589209602 TCL: atom 1: phi = -0.561954717021 TCL: Center of mass = 0.886245816706 0.324317499184 -1.11606135133 TCL: atom 1: phi = -0.562314139091 TCL: Center of mass = 0.888307384008 0.324386460321 -1.1162349833 TCL: atom 1: phi = -0.562375547786 TCL: Center of mass = 0.89036940283 0.324446423605 -1.11641434619 TCL: atom 1: phi = -0.562575243841 TCL: Center of mass = 0.892429459783 0.324514783886 -1.116590722 TCL: atom 1: phi = -0.562428300053 TCL: Center of mass = 0.89449029295 0.324572766113 -1.1167663514 TCL: atom 1: phi = -0.562501310465 TCL: Center of mass = 0.896559639593 0.324633403775 -1.11693100541 TCL: atom 1: phi = -0.56231816701 TCL: Center of mass = 0.898617674289 0.324701509016 -1.11707562621 TCL: atom 1: phi = -0.562421570961 TCL: Center of mass = 0.900671922653 0.324769842274 -1.11722193672 TCL: atom 1: phi = -0.562259350467 TCL: Center of mass = 0.902723805137 0.324836188996 -1.11737025588 TCL: atom 1: phi = -0.56232846067 TCL: Center of mass = 0.904775639415 0.324904401661 -1.11752184643 TCL: atom 1: phi = -0.562015374796 TCL: Center of mass = 0.906833904796 0.32496766767 -1.11766579374 TCL: atom 1: phi = -0.561822800406 TCL: Center of mass = 0.908894462704 0.325034875073 -1.11781374694 TCL: atom 1: phi = -0.561178754257 TCL: Center of mass = 0.910950434926 0.325104241305 -1.11795771199 TCL: atom 1: phi = -0.560576414494 TCL: Center of mass = 0.913003649705 0.325161694625 -1.11809238971 TCL: atom 1: phi = -0.559514655191 TCL: Center of mass = 0.915057025874 0.325229694483 -1.1182309441 TCL: atom 1: phi = -0.5586496442 TCL: Center of mass = 0.917107919285 0.325302596512 -1.11838223469 TCL: atom 1: phi = -0.55746219954 TCL: Center of mass = 0.919166682363 0.325376175337 -1.11853848587 TCL: atom 1: phi = -0.556642351499 TCL: Center of mass = 0.921227517259 0.325441900335 -1.11871235017 TCL: atom 1: phi = -0.555614488713 TCL: Center of mass = 0.923288550394 0.325513315393 -1.11888445632 TCL: atom 1: phi = -0.55501505934 TCL: Center of mass = 0.925353802617 0.325582613324 -1.11904865566 TCL: atom 1: phi = -0.554183540298 TCL: Center of mass = 0.927415371241 0.325650493613 -1.11920892796 TCL: atom 1: phi = -0.553810764735 TCL: Center of mass = 0.929486447297 0.325718254474 -1.11937866831 TCL: atom 1: phi = -0.553076681845 TCL: Center of mass = 0.931543128536 0.325799342633 -1.11954311469 TCL: atom 1: phi = -0.552669074008 TCL: Center of mass = 0.933594839302 0.325875405663 -1.1197008955 TCL: atom 1: phi = -0.55191327514 TCL: Center of mass = 0.935641602634 0.325956384334 -1.11986878212 TCL: atom 1: phi = -0.551580102642 TCL: Center of mass = 0.937696273803 0.326041437201 -1.12002018798 TCL: atom 1: phi = -0.551033535684 TCL: Center of mass = 0.939739609386 0.326125252676 -1.1201694227 TCL: atom 1: phi = -0.551031863568 TCL: Center of mass = 0.941780398353 0.326225697273 -1.12032058309 TCL: atom 1: phi = -0.550908841271 TIMING: 1200 CPU: 202.954, 0.168194/step Wall: 247.886, 0.20601/step, 1.07583 hours remaining, 20266 kB of memory in use. ENERGY: 1200 433.4685 683.2739 419.8076 33.5407 -2795.0904 -208.9246 0.0000 0.0000 1077.8647 -356.0597 293.7483 -347.2470 -347.3101 295.1637 -239.4883 -445.1475 64000.0000 38.3001 33.1762 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200 WRITING COORDINATES TO DCD FILE AT STEP 1200 WRITING COORDINATES TO RESTART FILE AT STEP 1200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 0.943814156636 0.326334786827 -1.12048187746 TCL: atom 1: phi = -0.551355253082 TCL: Center of mass = 0.945850108862 0.32644985639 -1.1206319445 TCL: atom 1: phi = -0.551612605685 TCL: Center of mass = 0.947884539936 0.326563110399 -1.12077308342 TCL: atom 1: phi = -0.55229297373 TCL: Center of mass = 0.949925086813 0.326676638212 -1.12091264239 TCL: atom 1: phi = -0.552716732806 TCL: Center of mass = 0.951970797447 0.326796285613 -1.12105517811 TCL: atom 1: phi = -0.553446965366 TCL: Center of mass = 0.954030858232 0.326916287857 -1.12118681699 TCL: atom 1: phi = -0.553832888228 TCL: Center of mass = 0.956088251716 0.327032430824 -1.12132421863 TCL: atom 1: phi = -0.554495109412 TCL: Center of mass = 0.958139114735 0.327151132461 -1.12145814887 TCL: atom 1: phi = -0.55483487168 TCL: Center of mass = 0.960185063533 0.327269053093 -1.12158995005 TCL: atom 1: phi = -0.555531565107 TCL: Center of mass = 0.962240518203 0.327386680721 -1.1217256008 TCL: atom 1: phi = -0.556006376751 TCL: Center of mass = 0.96429876355 0.327517341667 -1.12185954352 TCL: atom 1: phi = -0.5568528327 TCL: Center of mass = 0.966345990714 0.327647812933 -1.12198233686 TCL: atom 1: phi = -0.557486683698 TCL: Center of mass = 0.968386508132 0.327776949842 -1.12211406618 TCL: atom 1: phi = -0.558421353702 TCL: Center of mass = 0.970440284869 0.32791582865 -1.12223420586 TCL: atom 1: phi = -0.559092255745 TCL: Center of mass = 0.972505176533 0.328052737982 -1.1223588456 TCL: atom 1: phi = -0.560000786819 TCL: Center of mass = 0.974566332149 0.32819280948 -1.12248781236 TCL: atom 1: phi = -0.560620433249 TCL: Center of mass = 0.976629855796 0.328341084591 -1.12262117736 TCL: atom 1: phi = -0.561382439492 TCL: Center of mass = 0.978690194086 0.328490607872 -1.12273352057 TCL: atom 1: phi = -0.56184602999 TCL: Center of mass = 0.98074043246 0.328633099884 -1.12283949023 TCL: atom 1: phi = -0.562422485486 TCL: Center of mass = 0.982788607363 0.328784619631 -1.12293987213 TCL: atom 1: phi = -0.562774511208 TCL: Center of mass = 0.984837537015 0.328934459557 -1.12305229151 TCL: atom 1: phi = -0.563295958458 TCL: Center of mass = 0.986892185879 0.329090405353 -1.12316807943 TCL: atom 1: phi = -0.563644932099 TCL: Center of mass = 0.988950487472 0.329247979133 -1.12327648992 TCL: atom 1: phi = -0.564094156813 TCL: Center of mass = 0.99101601249 0.329400079571 -1.12338332472 TCL: atom 1: phi = -0.564260023763 TCL: Center of mass = 0.993095172986 0.329547450166 -1.12349157705 TCL: atom 1: phi = -0.564467807149 TCL: Center of mass = 0.995180508432 0.329692887997 -1.12360358371 TCL: atom 1: phi = -0.564292157003 TCL: Center of mass = 0.997266580532 0.329836304529 -1.12371153246 TCL: atom 1: phi = -0.564108837318 TCL: Center of mass = 0.999354336335 0.329980741628 -1.12381420405 TCL: atom 1: phi = -0.563640633245 TCL: Center of mass = 1.00144748968 0.330120227943 -1.12391682935 TCL: atom 1: phi = -0.563276037579 TCL: Center of mass = 1.00353116933 0.330264927056 -1.12400516897 TCL: atom 1: phi = -0.56270146745 TCL: Center of mass = 1.00561400565 0.330415411681 -1.12410300728 TCL: atom 1: phi = -0.562311291996 TCL: Center of mass = 1.00768750236 0.330554653897 -1.12419912998 TCL: atom 1: phi = -0.561755345665 TCL: Center of mass = 1.00975646551 0.3306976472 -1.1242971013 TCL: atom 1: phi = -0.561440547082 TCL: Center of mass = 1.01182880983 0.330837843991 -1.12440103154 TCL: atom 1: phi = -0.560959822654 TCL: Center of mass = 1.01390415276 0.330979554526 -1.12450529015 TCL: atom 1: phi = -0.560611002899 TCL: Center of mass = 1.01599393612 0.331128083136 -1.12461443704 TCL: atom 1: phi = -0.560053369567 TCL: Center of mass = 1.01808782658 0.331280031765 -1.12472545556 TCL: atom 1: phi = -0.559753994404 TCL: Center of mass = 1.02017926942 0.331421403379 -1.12483731632 TCL: atom 1: phi = -0.559202009992 TCL: Center of mass = 1.02226823393 0.3315548289 -1.12495314436 TCL: atom 1: phi = -0.558936629844 TCL: Center of mass = 1.02435302149 0.331697445798 -1.12506824136 TCL: atom 1: phi = -0.558590492427 TCL: Center of mass = 1.02644686652 0.331848934336 -1.12518488733 TCL: atom 1: phi = -0.558640326712 TCL: Center of mass = 1.02854609471 0.331995368371 -1.12529789164 TCL: atom 1: phi = -0.558527060807 TCL: Center of mass = 1.03064180771 0.332137174667 -1.12540070417 TCL: atom 1: phi = -0.558675485792 TCL: Center of mass = 1.03274015582 0.332278852898 -1.12549760926 TCL: atom 1: phi = -0.558581823891 TCL: Center of mass = 1.03483461766 0.332410079664 -1.12560472793 TCL: atom 1: phi = -0.55873509722 TCL: Center of mass = 1.03692401023 0.332540952824 -1.12570792344 TCL: atom 1: phi = -0.558556707714 TCL: Center of mass = 1.03900973318 0.332669210556 -1.12580627164 TCL: atom 1: phi = -0.558522701694 TCL: Center of mass = 1.04109597718 0.332806970438 -1.1259006619 TCL: atom 1: phi = -0.558076849325 TCL: Center of mass = 1.04318267648 0.332939675283 -1.12598113474 TCL: atom 1: phi = -0.557713703936 TCL: Center of mass = 1.0452566355 0.333055617086 -1.12606418748 TCL: atom 1: phi = -0.556966389373 TCL: Center of mass = 1.04732746659 0.333175087955 -1.12614977081 TCL: atom 1: phi = -0.556316689251 TCL: Center of mass = 1.04940200404 0.333294227972 -1.12623791625 TCL: atom 1: phi = -0.555318408471 TCL: Center of mass = 1.05147000517 0.333407143707 -1.12631919763 TCL: atom 1: phi = -0.55451283028 TCL: Center of mass = 1.05353935668 0.333527923584 -1.12641568598 TCL: atom 1: phi = -0.553424629444 TCL: Center of mass = 1.05561620586 0.33364728677 -1.12651977086 TCL: atom 1: phi = -0.552553587238 TCL: Center of mass = 1.05769645961 0.333760548178 -1.12662286137 TCL: atom 1: phi = -0.551293130503 TCL: Center of mass = 1.0597796827 0.333868188877 -1.12673342698 TCL: atom 1: phi = -0.550154089963 TCL: Center of mass = 1.06186826834 0.333980680332 -1.12684102268 TCL: atom 1: phi = -0.548552152242 TCL: Center of mass = 1.06395377731 0.334092138271 -1.12694958464 TCL: atom 1: phi = -0.547224788335 TCL: Center of mass = 1.06605600554 0.334209528008 -1.12706367208 TCL: atom 1: phi = -0.545561083918 TCL: Center of mass = 1.06816527288 0.334324316817 -1.12718110404 TCL: atom 1: phi = -0.544325485369 TCL: Center of mass = 1.07027378812 0.334441431267 -1.12729454607 TCL: atom 1: phi = -0.542864324557 TCL: Center of mass = 1.07237681019 0.334557951469 -1.12740937486 TCL: atom 1: phi = -0.541952203075 TCL: Center of mass = 1.07448694593 0.334683310689 -1.12753344532 TCL: atom 1: phi = -0.540885898757 TCL: Center of mass = 1.07660731928 0.334821257369 -1.1276442966 TCL: atom 1: phi = -0.540444806726 TCL: Center of mass = 1.07873903047 0.334961425321 -1.12776582138 TCL: atom 1: phi = -0.539854918802 TCL: Center of mass = 1.08087072753 0.335103885936 -1.12789736287 TCL: atom 1: phi = -0.539821052355 TCL: Center of mass = 1.08301184422 0.335240922976 -1.12803637724 TCL: atom 1: phi = -0.539630048872 TCL: Center of mass = 1.08514781546 0.335367179586 -1.12817317294 TCL: atom 1: phi = -0.539999811684 TCL: Center of mass = 1.08730130535 0.335502093072 -1.12832125472 TCL: atom 1: phi = -0.540217318495 TCL: Center of mass = 1.08945483915 0.335634822335 -1.12846526613 TCL: atom 1: phi = -0.54097378262 TCL: Center of mass = 1.09160977414 0.335761216796 -1.12860609767 TCL: atom 1: phi = -0.541593027866 TCL: Center of mass = 1.09376018669 0.33588764426 -1.12873795131 TCL: atom 1: phi = -0.542722202837 TCL: Center of mass = 1.09590826559 0.336012529767 -1.12887828493 TCL: atom 1: phi = -0.543683982809 TCL: Center of mass = 1.09805772398 0.336127111172 -1.12901850959 TCL: atom 1: phi = -0.545002128261 TCL: Center of mass = 1.10020901612 0.336252288525 -1.12916115473 TCL: atom 1: phi = -0.54603965826 TCL: Center of mass = 1.10236444689 0.336373998765 -1.12930043895 TCL: atom 1: phi = -0.547250916754 TCL: Center of mass = 1.10451625838 0.336486183972 -1.12943690767 TCL: atom 1: phi = -0.548048353801 TCL: Center of mass = 1.10667254764 0.336594763725 -1.12957138013 TCL: atom 1: phi = -0.548916820095 TCL: Center of mass = 1.10882962984 0.336702279415 -1.12970230709 TCL: atom 1: phi = -0.549395616494 TCL: Center of mass = 1.11098818755 0.336805354505 -1.1298338653 TCL: atom 1: phi = -0.550004518101 TCL: Center of mass = 1.11315984106 0.336914272113 -1.1299656182 TCL: atom 1: phi = -0.550350512491 TCL: Center of mass = 1.11532847486 0.337019234658 -1.13010801988 TCL: atom 1: phi = -0.550912233548 TCL: Center of mass = 1.11749175734 0.33712008746 -1.13025045673 TCL: atom 1: phi = -0.551298747647 TCL: Center of mass = 1.11965660602 0.33722138869 -1.13038736401 TCL: atom 1: phi = -0.55193910923 TCL: Center of mass = 1.121814325 0.33731890486 -1.13052498383 TCL: atom 1: phi = -0.552311299578 TCL: Center of mass = 1.12397337583 0.337407983429 -1.13066172876 TCL: atom 1: phi = -0.552732436067 TCL: Center of mass = 1.12613718997 0.337492955293 -1.1307886314 TCL: atom 1: phi = -0.552794735404 TCL: Center of mass = 1.12831173533 0.337576413409 -1.13092581767 TCL: atom 1: phi = -0.552847060345 TCL: Center of mass = 1.13048766803 0.33765124148 -1.13106019859 TCL: atom 1: phi = -0.552460361174 TCL: Center of mass = 1.13265787392 0.337718305542 -1.1311952001 TCL: atom 1: phi = -0.552132564792 TCL: Center of mass = 1.13482600586 0.337787062082 -1.13132424021 TCL: atom 1: phi = -0.55152983435 TCL: Center of mass = 1.13700484465 0.337857867182 -1.13145615304 TCL: atom 1: phi = -0.551105128732 TCL: Center of mass = 1.13918783331 0.337926550996 -1.13158213502 TCL: atom 1: phi = -0.550427281577 TCL: Center of mass = 1.14137009724 0.337996863536 -1.13170186926 TCL: atom 1: phi = -0.549913672427 TCL: Center of mass = 1.14355315421 0.338071715109 -1.13181938962 TCL: atom 1: phi = -0.549158586928 TCL: Center of mass = 1.14573986995 0.338161556083 -1.13193900477 TCL: atom 1: phi = -0.548662392322 TCL: Center of mass = 1.14793094241 0.338262541163 -1.13205370938 TCL: atom 1: phi = -0.547914708528 TCL: Center of mass = 1.15012472443 0.33836323293 -1.13217366115 TCL: atom 1: phi = -0.547367364356 TCL: Center of mass = 1.15232602297 0.3384770597 -1.13229887568 TCL: atom 1: phi = -0.546585521896 TIMING: 1300 CPU: 219.781, 0.168264/step Wall: 268.488, 0.20602/step, 1.07016 hours remaining, 20267 kB of memory in use. ENERGY: 1300 375.1341 664.8052 418.9718 45.8378 -2742.8623 -216.4636 0.0000 0.0000 1097.4033 -357.1737 299.0731 -348.2769 -348.8602 296.8533 388.2040 258.0337 64000.0000 -41.7802 -37.3091 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300 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 TCL: Center of mass = 1.15451577319 0.338587966628 -1.13242095917 TCL: atom 1: phi = -0.546006839733 TCL: Center of mass = 1.15671156718 0.338704369197 -1.13254472924 TCL: atom 1: phi = -0.545202790695 TCL: Center of mass = 1.15890876998 0.338819844455 -1.13266478124 TCL: atom 1: phi = -0.544652823527 TCL: Center of mass = 1.16111985769 0.338950073295 -1.1327892006 TCL: atom 1: phi = -0.543873456011 TCL: Center of mass = 1.16333422707 0.339068629861 -1.13291449174 TCL: atom 1: phi = -0.543404438336 TCL: Center of mass = 1.16555289663 0.339183520394 -1.1330462638 TCL: atom 1: phi = -0.542697865581 TCL: Center of mass = 1.16777555242 0.339304705649 -1.13317137491 TCL: atom 1: phi = -0.542259616207 TCL: Center of mass = 1.17000686514 0.339418016162 -1.13329604313 TCL: atom 1: phi = -0.541532037994 TCL: Center of mass = 1.17223063899 0.339526854372 -1.13341720604 TCL: atom 1: phi = -0.541034503518 TCL: Center of mass = 1.17445692217 0.339644825144 -1.13353911338 TCL: atom 1: phi = -0.540201572006 TCL: Center of mass = 1.17668069778 0.339770107173 -1.13365781075 TCL: atom 1: phi = -0.539557533724 TCL: Center of mass = 1.17889805381 0.339888001659 -1.13377745039 TCL: atom 1: phi = -0.538652874837 TCL: Center of mass = 1.18110533035 0.340006465591 -1.1338913807 TCL: atom 1: phi = -0.538038546021 TCL: Center of mass = 1.18331961824 0.340122998561 -1.13399839334 TCL: atom 1: phi = -0.537279315006 TCL: Center of mass = 1.18554054061 0.340230683865 -1.13409258382 TCL: atom 1: phi = -0.536929310598 TCL: Center of mass = 1.18777514702 0.340346651949 -1.13419368662 TCL: atom 1: phi = -0.536423441537 TCL: Center of mass = 1.19001152556 0.340462709313 -1.13430836707 TCL: atom 1: phi = -0.53636615129 TCL: Center of mass = 1.19224399018 0.340583942125 -1.13441119 TCL: atom 1: phi = -0.536135148623 TCL: Center of mass = 1.19449100074 0.34071566752 -1.13451202414 TCL: atom 1: phi = -0.536201381013 TCL: Center of mass = 1.19673989223 0.340846766841 -1.13459783176 TCL: atom 1: phi = -0.535997490567 TCL: Center of mass = 1.19899095286 0.340968659278 -1.13469074878 TCL: atom 1: phi = -0.536120494299 TCL: Center of mass = 1.20124102456 0.341066896488 -1.13478510688 TCL: atom 1: phi = -0.535997196816 TCL: Center of mass = 1.20350057568 0.341165466797 -1.13488102066 TCL: atom 1: phi = -0.536221198541 TCL: Center of mass = 1.20577752224 0.341253429345 -1.13496946559 TCL: atom 1: phi = -0.536301168098 TCL: Center of mass = 1.20804560051 0.341332486432 -1.13505478518 TCL: atom 1: phi = -0.536645243739 TCL: Center of mass = 1.21031695641 0.341415401019 -1.13514039916 TCL: atom 1: phi = -0.536778149508 TCL: Center of mass = 1.21259943972 0.341502411684 -1.13522708837 TCL: atom 1: phi = -0.537191744141 TCL: Center of mass = 1.21488037356 0.341592574734 -1.13531129888 TCL: atom 1: phi = -0.537307262646 TCL: Center of mass = 1.21716903164 0.341684342888 -1.13538523684 TCL: atom 1: phi = -0.537525575469 TCL: Center of mass = 1.21946149256 0.341769985209 -1.1354524646 TCL: atom 1: phi = -0.537358605763 TCL: Center of mass = 1.22174891207 0.34186572267 -1.13551832937 TCL: atom 1: phi = -0.537204556325 TCL: Center of mass = 1.22403877408 0.341956863411 -1.13558378214 TCL: atom 1: phi = -0.536675011733 TCL: Center of mass = 1.22633343773 0.342052927239 -1.13565349982 TCL: atom 1: phi = -0.536286725098 TCL: Center of mass = 1.22863808431 0.342151067773 -1.13571455334 TCL: atom 1: phi = -0.5356665319 TCL: Center of mass = 1.23094792366 0.342239507125 -1.13576293876 TCL: atom 1: phi = -0.535333957044 TCL: Center of mass = 1.23326316057 0.342327665439 -1.13580586383 TCL: atom 1: phi = -0.534873045703 TCL: Center of mass = 1.23557862503 0.342419671357 -1.13584705464 TCL: atom 1: phi = -0.534716662395 TCL: Center of mass = 1.23790558493 0.342501807163 -1.13588919368 TCL: atom 1: phi = -0.534412184464 TCL: Center of mass = 1.24023059487 0.342580759913 -1.13593345461 TCL: atom 1: phi = -0.534365747355 TCL: Center of mass = 1.24255553254 0.342664506865 -1.13598583538 TCL: atom 1: phi = -0.534148515053 TCL: Center of mass = 1.24487407271 0.342742903956 -1.13604587725 TCL: atom 1: phi = -0.534195047897 TCL: Center of mass = 1.24719566271 0.342821726857 -1.13610630765 TCL: atom 1: phi = -0.534167574163 TCL: Center of mass = 1.24952131167 0.342911544541 -1.13615334846 TCL: atom 1: phi = -0.534433510958 TCL: Center of mass = 1.25184502428 0.343006795421 -1.13619924978 TCL: atom 1: phi = -0.534600795945 TCL: Center of mass = 1.25418142256 0.343094411921 -1.13623513055 TCL: atom 1: phi = -0.535164221906 TCL: Center of mass = 1.2565099068 0.343180072341 -1.13625765685 TCL: atom 1: phi = -0.535695319292 TCL: Center of mass = 1.25883926817 0.343268330376 -1.13627449375 TCL: atom 1: phi = -0.536520779952 TCL: Center of mass = 1.26117820877 0.343339147706 -1.1362814189 TCL: atom 1: phi = -0.537162821157 TCL: Center of mass = 1.26352591311 0.343405955643 -1.13628978904 TCL: atom 1: phi = -0.537962611567 TCL: Center of mass = 1.26587392558 0.343471999815 -1.13630162942 TCL: atom 1: phi = -0.538446923148 TCL: Center of mass = 1.26821566801 0.343532896209 -1.13632389836 TCL: atom 1: phi = -0.538931020511 TCL: Center of mass = 1.27056052025 0.343589864355 -1.13634689654 TCL: atom 1: phi = -0.539090214322 TCL: Center of mass = 1.27290711611 0.343659567732 -1.13636878986 TCL: atom 1: phi = -0.539263727409 TCL: Center of mass = 1.27525364976 0.343729263671 -1.1363965735 TCL: atom 1: phi = -0.539136337485 TCL: Center of mass = 1.27759835697 0.343799417711 -1.13642775841 TCL: atom 1: phi = -0.539148810168 TCL: Center of mass = 1.27994982189 0.343867600478 -1.13646592698 TCL: atom 1: phi = -0.538977484741 TCL: Center of mass = 1.28229179461 0.343928869899 -1.13649276039 TCL: atom 1: phi = -0.538928675473 TCL: Center of mass = 1.284641349 0.343985820699 -1.13651097981 TCL: atom 1: phi = -0.538661541775 TCL: Center of mass = 1.28699289496 0.344055579436 -1.13651911808 TCL: atom 1: phi = -0.538463126071 TCL: Center of mass = 1.28934306198 0.344124096023 -1.13652229799 TCL: atom 1: phi = -0.537993501703 TCL: Center of mass = 1.29169996787 0.344187418323 -1.13651106634 TCL: atom 1: phi = -0.537610188655 TCL: Center of mass = 1.29405159104 0.344231235224 -1.13649857058 TCL: atom 1: phi = -0.536938802748 TCL: Center of mass = 1.29640288795 0.344279634053 -1.13649529888 TCL: atom 1: phi = -0.536363157636 TCL: Center of mass = 1.29876104293 0.344333202667 -1.13650743035 TCL: atom 1: phi = -0.535546136974 TCL: Center of mass = 1.30111387085 0.34438389428 -1.13651461089 TCL: atom 1: phi = -0.5349558629 TCL: Center of mass = 1.3034576128 0.344440498804 -1.13651902597 TCL: atom 1: phi = -0.534218730148 TCL: Center of mass = 1.30580927069 0.344502266712 -1.13652155489 TCL: atom 1: phi = -0.533747279183 TCL: Center of mass = 1.30815774655 0.344572741635 -1.1365212967 TCL: atom 1: phi = -0.533083401145 TCL: Center of mass = 1.31050379526 0.344640364202 -1.13654450129 TCL: atom 1: phi = -0.532640175713 TCL: Center of mass = 1.31284663195 0.344713399272 -1.13655530021 TCL: atom 1: phi = -0.531888099552 TCL: Center of mass = 1.31518628109 0.344782542271 -1.1365754252 TCL: atom 1: phi = -0.531238655164 TCL: Center of mass = 1.31753193981 0.344849912536 -1.13660131182 TCL: atom 1: phi = -0.530165023877 TCL: Center of mass = 1.31987616239 0.344906751617 -1.13661271533 TCL: atom 1: phi = -0.529166836954 TCL: Center of mass = 1.32222619394 0.344951868025 -1.13661399563 TCL: atom 1: phi = -0.527721728643 TCL: Center of mass = 1.32457884096 0.345001441517 -1.13661418389 TCL: atom 1: phi = -0.526440210628 TCL: Center of mass = 1.32693715868 0.345050149746 -1.13661013559 TCL: atom 1: phi = -0.524836951318 TCL: Center of mass = 1.32929780695 0.345108342313 -1.13659908761 TCL: atom 1: phi = -0.523562940333 TCL: Center of mass = 1.33166176585 0.345163082576 -1.13659992101 TCL: atom 1: phi = -0.521976394051 TCL: Center of mass = 1.33403012888 0.345216439294 -1.13660603892 TCL: atom 1: phi = -0.52074507435 TCL: Center of mass = 1.33639670301 0.345273176546 -1.13661840176 TCL: atom 1: phi = -0.519170225257 TCL: Center of mass = 1.33876529514 0.345336039214 -1.1366261101 TCL: atom 1: phi = -0.517958510566 TCL: Center of mass = 1.34113430707 0.34540001034 -1.13662508199 TCL: atom 1: phi = -0.516404128742 TCL: Center of mass = 1.34350903187 0.345463323806 -1.13663498393 TCL: atom 1: phi = -0.515344331443 TCL: Center of mass = 1.34588467311 0.345529594 -1.1366428714 TCL: atom 1: phi = -0.514090033698 TCL: Center of mass = 1.34826966377 0.345588665466 -1.13664845842 TCL: atom 1: phi = -0.513581237402 TCL: Center of mass = 1.35066067143 0.345654754949 -1.13664698388 TCL: atom 1: phi = -0.513072812613 TCL: Center of mass = 1.35303976296 0.345717319148 -1.13665547971 TCL: atom 1: phi = -0.513390873195 TCL: Center of mass = 1.35541834271 0.345772616908 -1.13666086983 TCL: atom 1: phi = -0.513666769351 TCL: Center of mass = 1.35780096107 0.345824458436 -1.13666359927 TCL: atom 1: phi = -0.514656520568 TCL: Center of mass = 1.36019777031 0.345868919539 -1.13667739822 TCL: atom 1: phi = -0.515427275184 TCL: Center of mass = 1.36260036188 0.345911262784 -1.13670505445 TCL: atom 1: phi = -0.516684578554 TCL: Center of mass = 1.36500336058 0.34595138115 -1.13671913656 TCL: atom 1: phi = -0.517590897472 TCL: Center of mass = 1.36741160878 0.345998441867 -1.13672863635 TCL: atom 1: phi = -0.51888633069 TCL: Center of mass = 1.36982855509 0.34602951385 -1.13674191578 TCL: atom 1: phi = -0.519874651623 TCL: Center of mass = 1.37225469863 0.346043957808 -1.13674792643 TCL: atom 1: phi = -0.521292286338 TCL: Center of mass = 1.37466500641 0.346054859732 -1.13675589306 TCL: atom 1: phi = -0.522461446317 TCL: Center of mass = 1.37706843354 0.346061536005 -1.136759747 TCL: atom 1: phi = -0.524146383018 TCL: Center of mass = 1.3794768148 0.346071626155 -1.13676220519 TCL: atom 1: phi = -0.5256293222 TCL: Center of mass = 1.38189197991 0.346066162872 -1.13676094744 TCL: atom 1: phi = -0.527526175891 TCL: Center of mass = 1.38430775601 0.346061015259 -1.13675658762 TCL: atom 1: phi = -0.529164171711 TIMING: 1400 CPU: 236.616, 0.168354/step Wall: 289.108, 0.206203/step, 1.06538 hours remaining, 20270 kB of memory in use. ENERGY: 1400 415.1189 688.1470 425.8840 37.7710 -2779.3476 -224.7731 0.0000 0.0000 1098.7215 -338.4784 299.4323 -329.3804 -330.4629 299.7543 4.4753 -346.0362 64000.0000 6.8898 -4.1603 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400 WRITING COORDINATES TO DCD FILE AT STEP 1400 WRITING COORDINATES TO RESTART FILE AT STEP 1400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.38673060204 0.34605579253 -1.13676114116 TCL: atom 1: phi = -0.531049304081 TCL: Center of mass = 1.38915821044 0.346059232356 -1.13676487074 TCL: atom 1: phi = -0.532565755415 TCL: Center of mass = 1.39158053702 0.346073499141 -1.13676218431 TCL: atom 1: phi = -0.534318041922 TCL: Center of mass = 1.39401631029 0.346097828112 -1.1367543701 TCL: atom 1: phi = -0.535705363242 TCL: Center of mass = 1.39645203041 0.34612493087 -1.13674108122 TCL: atom 1: phi = -0.537209087726 TCL: Center of mass = 1.39887101077 0.346147133398 -1.13673054778 TCL: atom 1: phi = -0.53842770459 TCL: Center of mass = 1.40129009464 0.346156545449 -1.1367171488 TCL: atom 1: phi = -0.539813545076 TCL: Center of mass = 1.40371442923 0.346160283273 -1.13670454199 TCL: atom 1: phi = -0.540912587976 TCL: Center of mass = 1.40612976897 0.346155567194 -1.13669462521 TCL: atom 1: phi = -0.5421709357 TCL: Center of mass = 1.40855219845 0.346154701818 -1.13667612591 TCL: atom 1: phi = -0.543062235868 TCL: Center of mass = 1.41097069115 0.346152241177 -1.13665447267 TCL: atom 1: phi = -0.543809215151 TCL: Center of mass = 1.41340111223 0.346134352099 -1.13663282883 TCL: atom 1: phi = -0.544037706163 TCL: Center of mass = 1.41584404096 0.346131573451 -1.13660881817 TCL: atom 1: phi = -0.544054685946 TCL: Center of mass = 1.41828660322 0.346136547172 -1.13658322097 TCL: atom 1: phi = -0.543560086264 TCL: Center of mass = 1.420729593 0.346143657244 -1.13656089159 TCL: atom 1: phi = -0.54305718553 TCL: Center of mass = 1.42317667965 0.346145173407 -1.13653387712 TCL: atom 1: phi = -0.542223521584 TCL: Center of mass = 1.42561958939 0.34613845511 -1.1365132216 TCL: atom 1: phi = -0.541572925674 TCL: Center of mass = 1.42806311132 0.346125412773 -1.13649556227 TCL: atom 1: phi = -0.540806723844 TCL: Center of mass = 1.4305094596 0.346109432638 -1.13647140011 TCL: atom 1: phi = -0.54025588677 TCL: Center of mass = 1.43295379949 0.346093609897 -1.13645370149 TCL: atom 1: phi = -0.539565623703 TCL: Center of mass = 1.43539045604 0.346069918869 -1.13643760853 TCL: atom 1: phi = -0.539103419283 TCL: Center of mass = 1.43783418894 0.346048656938 -1.13642077695 TCL: atom 1: phi = -0.538466451119 TCL: Center of mass = 1.44028189234 0.346026821205 -1.13640668554 TCL: atom 1: phi = -0.5380133174 TCL: Center of mass = 1.44272792442 0.34600703975 -1.13639789528 TCL: atom 1: phi = -0.537360407972 TCL: Center of mass = 1.44518130959 0.346002307615 -1.13638070039 TCL: atom 1: phi = -0.537000637256 TCL: Center of mass = 1.44764250451 0.345990015892 -1.13635149886 TCL: atom 1: phi = -0.536572943603 TCL: Center of mass = 1.45009379753 0.345976445806 -1.13632181953 TCL: atom 1: phi = -0.5364728684 TCL: Center of mass = 1.45256839489 0.345966824609 -1.13629434461 TCL: atom 1: phi = -0.53636327737 TCL: Center of mass = 1.45504708946 0.345951137439 -1.13627340367 TCL: atom 1: phi = -0.536541389987 TCL: Center of mass = 1.45752603842 0.345934789617 -1.13625663665 TCL: atom 1: phi = -0.536445679002 TCL: Center of mass = 1.46000497673 0.345924925823 -1.13624621854 TCL: atom 1: phi = -0.536396096771 TCL: Center of mass = 1.46249595352 0.345922023149 -1.13624304073 TCL: atom 1: phi = -0.535911716221 TCL: Center of mass = 1.46498848501 0.345920685412 -1.13623723232 TCL: atom 1: phi = -0.535322903595 TCL: Center of mass = 1.46748539503 0.345922351008 -1.1362355381 TCL: atom 1: phi = -0.534311742394 TCL: Center of mass = 1.46998111849 0.34590825417 -1.13623022827 TCL: atom 1: phi = -0.533374656817 TCL: Center of mass = 1.47247342255 0.345890113712 -1.13622841919 TCL: atom 1: phi = -0.532249699127 TCL: Center of mass = 1.47496861615 0.345862586684 -1.13622645343 TCL: atom 1: phi = -0.531366570972 TCL: Center of mass = 1.47745881805 0.345831894853 -1.13623382929 TCL: atom 1: phi = -0.530410891424 TCL: Center of mass = 1.47995017085 0.345791467008 -1.13624104907 TCL: atom 1: phi = -0.529729554554 TCL: Center of mass = 1.48244554688 0.345759982658 -1.13624001577 TCL: atom 1: phi = -0.528856620378 TCL: Center of mass = 1.48494081054 0.345738270368 -1.13624620209 TCL: atom 1: phi = -0.528200149614 TCL: Center of mass = 1.48743909203 0.345714001378 -1.13624818908 TCL: atom 1: phi = -0.527286244447 TCL: Center of mass = 1.48994293687 0.345691672936 -1.13624847244 TCL: atom 1: phi = -0.526578067749 TCL: Center of mass = 1.49245235326 0.34566524985 -1.13624886068 TCL: atom 1: phi = -0.525663290563 TCL: Center of mass = 1.49495940772 0.345645853357 -1.13625674569 TCL: atom 1: phi = -0.524991846832 TCL: Center of mass = 1.49746530627 0.345628716142 -1.13628420536 TCL: atom 1: phi = -0.524266656234 TCL: Center of mass = 1.49995952802 0.345615138755 -1.13631001113 TCL: atom 1: phi = -0.523919693629 TCL: Center of mass = 1.50245631386 0.345587452176 -1.13633493078 TCL: atom 1: phi = -0.523566482844 TCL: Center of mass = 1.50495885459 0.345560559031 -1.13636190408 TCL: atom 1: phi = -0.523558443421 TCL: Center of mass = 1.50746393343 0.345543405957 -1.13637110382 TCL: atom 1: phi = -0.523422908479 TCL: Center of mass = 1.50996691868 0.345522347417 -1.13638194992 TCL: atom 1: phi = -0.523507647071 TCL: Center of mass = 1.51245963266 0.345516581979 -1.13638875269 TCL: atom 1: phi = -0.5232763244 TCL: Center of mass = 1.51495979982 0.345506403099 -1.13640052537 TCL: atom 1: phi = -0.523093569505 TCL: Center of mass = 1.51746686073 0.345509238577 -1.13640709882 TCL: atom 1: phi = -0.52252537884 TCL: Center of mass = 1.51997178561 0.345515524424 -1.13640605328 TCL: atom 1: phi = -0.522060561601 TCL: Center of mass = 1.52247110352 0.345512269557 -1.13640126584 TCL: atom 1: phi = -0.521353680425 TCL: Center of mass = 1.52496427296 0.345521179589 -1.13638529655 TCL: atom 1: phi = -0.520891628451 TCL: Center of mass = 1.52747230442 0.345529949701 -1.13636323115 TCL: atom 1: phi = -0.52031557394 TCL: Center of mass = 1.52998448787 0.345533528476 -1.13635142213 TCL: atom 1: phi = -0.52004694816 TCL: Center of mass = 1.5324868176 0.345547149775 -1.1363340022 TCL: atom 1: phi = -0.519637927877 TCL: Center of mass = 1.53497536619 0.345545480655 -1.13632324052 TCL: atom 1: phi = -0.519459153749 TCL: Center of mass = 1.537449121 0.345540894392 -1.13631467335 TCL: atom 1: phi = -0.519103068618 TCL: Center of mass = 1.53992965491 0.345538498312 -1.13629686605 TCL: atom 1: phi = -0.518886681234 TCL: Center of mass = 1.54240832441 0.345541594587 -1.13628116887 TCL: atom 1: phi = -0.518447099219 TCL: Center of mass = 1.54488235403 0.345547756425 -1.13627699597 TCL: atom 1: phi = -0.518288348497 TCL: Center of mass = 1.54734421613 0.345549280214 -1.13628253972 TCL: atom 1: phi = -0.517992548548 TCL: Center of mass = 1.54980306029 0.345561484917 -1.13628494707 TCL: atom 1: phi = -0.518066410163 TCL: Center of mass = 1.55227070446 0.345568186744 -1.13630486855 TCL: atom 1: phi = -0.518101499236 TCL: Center of mass = 1.55473240982 0.345576498155 -1.13632750197 TCL: atom 1: phi = -0.51856458518 TCL: Center of mass = 1.55719074799 0.345578187031 -1.13634862997 TCL: atom 1: phi = -0.518949499733 TCL: Center of mass = 1.55963685981 0.345583631805 -1.13635956694 TCL: atom 1: phi = -0.519587642991 TCL: Center of mass = 1.56208638206 0.345591176683 -1.13638042865 TCL: atom 1: phi = -0.519944886899 TCL: Center of mass = 1.56453875482 0.345596107197 -1.13640513879 TCL: atom 1: phi = -0.520361376652 TCL: Center of mass = 1.56699426578 0.345602601695 -1.13643982747 TCL: atom 1: phi = -0.520423348354 TCL: Center of mass = 1.56944404071 0.345610707196 -1.13647999026 TCL: atom 1: phi = -0.520573479759 TCL: Center of mass = 1.5719052979 0.345610008849 -1.13651748441 TCL: atom 1: phi = -0.520455934681 TCL: Center of mass = 1.5743656572 0.345609496529 -1.13654913592 TCL: atom 1: phi = -0.520518206571 TCL: Center of mass = 1.57683452151 0.345605064523 -1.13658841054 TCL: atom 1: phi = -0.520384061082 TCL: Center of mass = 1.5792989276 0.345601893514 -1.13663506421 TCL: atom 1: phi = -0.520495924489 TCL: Center of mass = 1.58176531601 0.345592859997 -1.13668955825 TCL: atom 1: phi = -0.520368294982 TCL: Center of mass = 1.58423283446 0.345595651854 -1.13674317154 TCL: atom 1: phi = -0.520411414684 TCL: Center of mass = 1.58670650243 0.345591878219 -1.13679571552 TCL: atom 1: phi = -0.520141527562 TCL: Center of mass = 1.58918407717 0.345583194514 -1.13684062925 TCL: atom 1: phi = -0.519971460981 TCL: Center of mass = 1.59167274895 0.345572193764 -1.13688007045 TCL: atom 1: phi = -0.51949146005 TCL: Center of mass = 1.59417128199 0.345574523395 -1.13691836366 TCL: atom 1: phi = -0.519182345417 TCL: Center of mass = 1.59667999238 0.345563407084 -1.13695553086 TCL: atom 1: phi = -0.518648070627 TCL: Center of mass = 1.59918297401 0.345544472713 -1.13698974913 TCL: atom 1: phi = -0.518399253502 TCL: Center of mass = 1.60169060616 0.345532973215 -1.13701185783 TCL: atom 1: phi = -0.51802271827 TCL: Center of mass = 1.60419614136 0.345515834544 -1.1370374604 TCL: atom 1: phi = -0.518050715684 TCL: Center of mass = 1.60670493615 0.345486576562 -1.13706618512 TCL: atom 1: phi = -0.517991069444 TCL: Center of mass = 1.60922057709 0.345452121717 -1.13709426118 TCL: atom 1: phi = -0.518214530689 TCL: Center of mass = 1.61174306967 0.345417559196 -1.13712865752 TCL: atom 1: phi = -0.518188200249 TCL: Center of mass = 1.61427227429 0.345393990872 -1.13717415332 TCL: atom 1: phi = -0.51831773707 TCL: Center of mass = 1.61681508546 0.345377138749 -1.13721913779 TCL: atom 1: phi = -0.518086339369 TCL: Center of mass = 1.6193572672 0.345370053338 -1.13726959311 TCL: atom 1: phi = -0.518007728231 TCL: Center of mass = 1.62189345881 0.345361248565 -1.13731972057 TCL: atom 1: phi = -0.517618130681 TCL: Center of mass = 1.62444747664 0.345355448591 -1.13736215955 TCL: atom 1: phi = -0.517454474949 TCL: Center of mass = 1.626992609 0.345354832119 -1.13741292765 TCL: atom 1: phi = -0.517041238415 TCL: Center of mass = 1.62953959495 0.345355112647 -1.13747319361 TCL: atom 1: phi = -0.516974236115 TCL: Center of mass = 1.63208416969 0.345360617108 -1.13753201912 TCL: atom 1: phi = -0.516649688135 TIMING: 1500 CPU: 253.488, 0.168724/step Wall: 309.767, 0.206588/step, 1.06163 hours remaining, 20272 kB of memory in use. ENERGY: 1500 426.4879 688.4754 411.7703 39.0662 -2817.8867 -201.3819 0.0000 0.0000 1108.1481 -345.3208 302.0013 -336.1608 -337.2779 301.6248 -46.0901 85.5282 64000.0000 103.0166 112.2879 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500 WRITING COORDINATES TO DCD FILE AT STEP 1500 WRITING COORDINATES TO RESTART FILE AT STEP 1500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.63462350382 0.345373086676 -1.13759594649 TCL: atom 1: phi = -0.516580343858 TCL: Center of mass = 1.63716650235 0.345393870793 -1.13767697526 TCL: atom 1: phi = -0.516225438607 TCL: Center of mass = 1.63972409353 0.345410036786 -1.13776168167 TCL: atom 1: phi = -0.516037618626 TCL: Center of mass = 1.64227375163 0.345424196608 -1.13785484637 TCL: atom 1: phi = -0.515416781057 TCL: Center of mass = 1.64481451872 0.345444745248 -1.13795441174 TCL: atom 1: phi = -0.515028571178 TCL: Center of mass = 1.64735179564 0.345466656786 -1.1380542005 TCL: atom 1: phi = -0.514358403286 TCL: Center of mass = 1.64988584243 0.345492034895 -1.13815287552 TCL: atom 1: phi = -0.51400765066 TCL: Center of mass = 1.65242905765 0.345510335451 -1.13825685854 TCL: atom 1: phi = -0.513438693532 TCL: Center of mass = 1.65499161293 0.345526409094 -1.13836043761 TCL: atom 1: phi = -0.513326866429 TCL: Center of mass = 1.65754894446 0.345526729858 -1.13846312985 TCL: atom 1: phi = -0.513063399955 TCL: Center of mass = 1.66010990042 0.345525523036 -1.13857674969 TCL: atom 1: phi = -0.513291931893 TCL: Center of mass = 1.66268521022 0.345518227625 -1.13868238339 TCL: atom 1: phi = -0.513294252327 TCL: Center of mass = 1.66525306121 0.345508981695 -1.1388026006 TCL: atom 1: phi = -0.513668519124 TCL: Center of mass = 1.66783114778 0.345498549996 -1.1389312639 TCL: atom 1: phi = -0.513822476771 TCL: Center of mass = 1.67040294994 0.345503845355 -1.13905343982 TCL: atom 1: phi = -0.514363143598 TCL: Center of mass = 1.67296973088 0.345512057195 -1.13916592751 TCL: atom 1: phi = -0.514707046471 TCL: Center of mass = 1.67553469571 0.34552116471 -1.13927599481 TCL: atom 1: phi = -0.515500897027 TCL: Center of mass = 1.67810203473 0.345532661756 -1.13940049003 TCL: atom 1: phi = -0.516244598799 TCL: Center of mass = 1.68067258364 0.345539672991 -1.13952646303 TCL: atom 1: phi = -0.51758127369 TCL: Center of mass = 1.68322905876 0.345547994909 -1.13965617111 TCL: atom 1: phi = -0.518865808711 TCL: Center of mass = 1.68578496801 0.345536031293 -1.13979170946 TCL: atom 1: phi = -0.520731122469 TCL: Center of mass = 1.68834919093 0.345523347897 -1.13991125007 TCL: atom 1: phi = -0.52240841943 TCL: Center of mass = 1.69091173272 0.345520365269 -1.14001982125 TCL: atom 1: phi = -0.524446839129 TCL: Center of mass = 1.69348010348 0.345520429974 -1.14012207517 TCL: atom 1: phi = -0.526229694181 TCL: Center of mass = 1.69605035906 0.345519850242 -1.140230733 TCL: atom 1: phi = -0.528229792604 TCL: Center of mass = 1.69863331946 0.345533196639 -1.14033209474 TCL: atom 1: phi = -0.529952201047 TCL: Center of mass = 1.70122385483 0.345542930238 -1.14043865246 TCL: atom 1: phi = -0.531838141489 TCL: Center of mass = 1.70380874159 0.345571371305 -1.14053445771 TCL: atom 1: phi = -0.533496243676 TCL: Center of mass = 1.70639162944 0.34561150412 -1.1406254722 TCL: atom 1: phi = -0.535321593604 TCL: Center of mass = 1.70897210738 0.345663365073 -1.14070571964 TCL: atom 1: phi = -0.536864340627 TCL: Center of mass = 1.71155501297 0.345706567285 -1.14078408557 TCL: atom 1: phi = -0.538424495681 TCL: Center of mass = 1.71413682408 0.345747597046 -1.14086133988 TCL: atom 1: phi = -0.53959623247 TCL: Center of mass = 1.71671631655 0.345790487746 -1.14094111728 TCL: atom 1: phi = -0.540670000449 TCL: Center of mass = 1.71929247585 0.345832331091 -1.14101917195 TCL: atom 1: phi = -0.541267627672 TCL: Center of mass = 1.72186779689 0.345860570632 -1.1411069832 TCL: atom 1: phi = -0.541694978871 TCL: Center of mass = 1.72445378647 0.345889387522 -1.1411955539 TCL: atom 1: phi = -0.541719155019 TCL: Center of mass = 1.7270389142 0.345911418075 -1.14128799978 TCL: atom 1: phi = -0.541662991938 TCL: Center of mass = 1.72963587057 0.345926579234 -1.14137576822 TCL: atom 1: phi = -0.541308510565 TCL: Center of mass = 1.73224167225 0.345937269808 -1.14147876202 TCL: atom 1: phi = -0.540992989873 TCL: Center of mass = 1.73484954941 0.345952752451 -1.14157192952 TCL: atom 1: phi = -0.540552648926 TCL: Center of mass = 1.73745380679 0.345963317365 -1.14165744432 TCL: atom 1: phi = -0.54021201946 TCL: Center of mass = 1.74004914086 0.345973230081 -1.1417421868 TCL: atom 1: phi = -0.539713911424 TCL: Center of mass = 1.74264986654 0.345992123969 -1.14182395003 TCL: atom 1: phi = -0.539236185408 TCL: Center of mass = 1.74525770186 0.346009614739 -1.14190128876 TCL: atom 1: phi = -0.53855561448 TCL: Center of mass = 1.74786058997 0.346024165462 -1.14197438784 TCL: atom 1: phi = -0.537855700763 TCL: Center of mass = 1.75046652901 0.346030156144 -1.14205959335 TCL: atom 1: phi = -0.536976980535 TCL: Center of mass = 1.75307886156 0.346039833732 -1.14214314351 TCL: atom 1: phi = -0.536154651485 TCL: Center of mass = 1.75570039928 0.346041385683 -1.14221202281 TCL: atom 1: phi = -0.535161611644 TCL: Center of mass = 1.75832983064 0.34604061404 -1.14228110757 TCL: atom 1: phi = -0.534279107283 TCL: Center of mass = 1.76096678811 0.346035042671 -1.14234614338 TCL: atom 1: phi = -0.533254267115 TCL: Center of mass = 1.7635868823 0.346027254913 -1.14241111594 TCL: atom 1: phi = -0.532350566763 TCL: Center of mass = 1.76621319981 0.346017863011 -1.14247113736 TCL: atom 1: phi = -0.53126436198 TCL: Center of mass = 1.76884063664 0.346010894883 -1.14253240111 TCL: atom 1: phi = -0.530254063639 TCL: Center of mass = 1.77147581404 0.345997793501 -1.14258316575 TCL: atom 1: phi = -0.529006334219 TCL: Center of mass = 1.77411407608 0.345987244911 -1.14264833025 TCL: atom 1: phi = -0.527744537596 TCL: Center of mass = 1.77674637445 0.345981586848 -1.14271026828 TCL: atom 1: phi = -0.526207851624 TCL: Center of mass = 1.77937823095 0.345983290775 -1.14278656595 TCL: atom 1: phi = -0.524762157271 TCL: Center of mass = 1.78201082971 0.345985607776 -1.14285999829 TCL: atom 1: phi = -0.523161747368 TCL: Center of mass = 1.78464889992 0.345979757844 -1.14293228468 TCL: atom 1: phi = -0.521760518469 TCL: Center of mass = 1.7872716076 0.345980991016 -1.14300683078 TCL: atom 1: phi = -0.520299497774 TCL: Center of mass = 1.78989831967 0.345994620594 -1.14309360776 TCL: atom 1: phi = -0.519138472561 TCL: Center of mass = 1.79251660344 0.346015798882 -1.14318751568 TCL: atom 1: phi = -0.517898960452 TCL: Center of mass = 1.79513963762 0.346033886724 -1.14327405089 TCL: atom 1: phi = -0.516892295836 TCL: Center of mass = 1.79775723349 0.346062313568 -1.14334775011 TCL: atom 1: phi = -0.515701660922 TCL: Center of mass = 1.80036892543 0.346088518476 -1.14343650621 TCL: atom 1: phi = -0.514742107406 TCL: Center of mass = 1.80296680475 0.34611239414 -1.143526352 TCL: atom 1: phi = -0.513594428917 TCL: Center of mass = 1.8055679855 0.346141532798 -1.14362601968 TCL: atom 1: phi = -0.512689763034 TCL: Center of mass = 1.80816623059 0.346176414242 -1.1437334106 TCL: atom 1: phi = -0.511590687101 TCL: Center of mass = 1.81077405269 0.346221597115 -1.14384824181 TCL: atom 1: phi = -0.510811470135 TCL: Center of mass = 1.81337763889 0.346272227987 -1.14396303193 TCL: atom 1: phi = -0.509907531128 TCL: Center of mass = 1.81597415081 0.346316700967 -1.14408101107 TCL: atom 1: phi = -0.509338639705 TCL: Center of mass = 1.81856591907 0.346359154635 -1.14418788633 TCL: atom 1: phi = -0.508607979071 TCL: Center of mass = 1.82116371844 0.346402437058 -1.1442975072 TCL: atom 1: phi = -0.508285215253 TCL: Center of mass = 1.82376517334 0.346435447653 -1.14440574981 TCL: atom 1: phi = -0.507728787386 TCL: Center of mass = 1.82636912483 0.346465966665 -1.1444956213 TCL: atom 1: phi = -0.507431537356 TCL: Center of mass = 1.82897315416 0.346512386036 -1.14459383701 TCL: atom 1: phi = -0.506888178242 TCL: Center of mass = 1.83157473975 0.346561104215 -1.1446936921 TCL: atom 1: phi = -0.50663608449 TCL: Center of mass = 1.83417123392 0.346609504222 -1.1447853348 TCL: atom 1: phi = -0.50616624095 TCL: Center of mass = 1.83676966433 0.34665977437 -1.14488534356 TCL: atom 1: phi = -0.506066537249 TCL: Center of mass = 1.83937504136 0.346712050209 -1.14499165063 TCL: atom 1: phi = -0.50585672012 TCL: Center of mass = 1.84198396383 0.346765748409 -1.14509148806 TCL: atom 1: phi = -0.506132378907 TCL: Center of mass = 1.84459544079 0.346823792049 -1.14518785973 TCL: atom 1: phi = -0.506283105073 TCL: Center of mass = 1.84721217025 0.346887925492 -1.14528520342 TCL: atom 1: phi = -0.506854721058 TCL: Center of mass = 1.84982119293 0.346931785068 -1.14537498174 TCL: atom 1: phi = -0.507230228368 TCL: Center of mass = 1.85242986119 0.346981551491 -1.14546947875 TCL: atom 1: phi = -0.507978758828 TCL: Center of mass = 1.85504129571 0.347028972203 -1.14556189107 TCL: atom 1: phi = -0.508401863731 TCL: Center of mass = 1.85764850265 0.347074118805 -1.14566311339 TCL: atom 1: phi = -0.509080209615 TCL: Center of mass = 1.86025868668 0.347107792048 -1.1457609645 TCL: atom 1: phi = -0.509528780685 TCL: Center of mass = 1.86286789252 0.347140505786 -1.14585565179 TCL: atom 1: phi = -0.510297670641 TCL: Center of mass = 1.86548343318 0.347172017811 -1.14595362236 TCL: atom 1: phi = -0.510779187638 TCL: Center of mass = 1.86808999401 0.347209005095 -1.14605768747 TCL: atom 1: phi = -0.511651966256 TCL: Center of mass = 1.87070560863 0.347252617035 -1.14615980373 TCL: atom 1: phi = -0.512344122442 TCL: Center of mass = 1.873304788 0.347293253157 -1.14627588234 TCL: atom 1: phi = -0.513403032584 TCL: Center of mass = 1.87590690076 0.347322314497 -1.1463764743 TCL: atom 1: phi = -0.514184299966 TCL: Center of mass = 1.87850539698 0.347347845265 -1.14649098405 TCL: atom 1: phi = -0.515183962345 TCL: Center of mass = 1.88110577509 0.347371460331 -1.14659946408 TCL: atom 1: phi = -0.515852361997 TCL: Center of mass = 1.88371388242 0.347391021693 -1.14670140123 TCL: atom 1: phi = -0.516729460235 TCL: Center of mass = 1.88632963381 0.347393158945 -1.14679615336 TCL: atom 1: phi = -0.517297766072 TCL: Center of mass = 1.88894839031 0.347392818499 -1.1468898661 TCL: atom 1: phi = -0.518128106082 TCL: Center of mass = 1.89156898381 0.347386707508 -1.14698741407 TCL: atom 1: phi = -0.518673382001 TIMING: 1600 CPU: 270.364, 0.168754/step Wall: 330.434, 0.206675/step, 1.05634 hours remaining, 20274 kB of memory in use. ENERGY: 1600 395.9712 718.9418 397.2065 40.9103 -2773.0680 -243.9276 0.0000 0.0000 1117.8490 -346.1169 304.6451 -337.4711 -336.6601 301.4765 -100.9092 109.7525 64000.0000 -142.1498 -138.8455 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600 WRITING COORDINATES TO DCD FILE AT STEP 1600 WRITING COORDINATES TO RESTART FILE AT STEP 1600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 1.89419425327 0.347371655622 -1.14707643615 TCL: atom 1: phi = -0.519445495433 TCL: Center of mass = 1.89681893241 0.347357807211 -1.14716564165 TCL: atom 1: phi = -0.51984023557 TCL: Center of mass = 1.89943922824 0.347341512076 -1.14725309875 TCL: atom 1: phi = -0.520373927685 TCL: Center of mass = 1.9020698634 0.347318642892 -1.14734415379 TCL: atom 1: phi = -0.520413879549 TCL: Center of mass = 1.90470071715 0.347288971352 -1.14743394611 TCL: atom 1: phi = -0.520513173845 TCL: Center of mass = 1.90733637003 0.34726192037 -1.14752567382 TCL: atom 1: phi = -0.520153483225 TCL: Center of mass = 1.90996418588 0.347243563231 -1.14761563756 TCL: atom 1: phi = -0.519710156168 TCL: Center of mass = 1.91259174332 0.347241596612 -1.14770207854 TCL: atom 1: phi = -0.51873713903 TCL: Center of mass = 1.91521794054 0.347233522562 -1.14778105832 TCL: atom 1: phi = -0.517761411915 TCL: Center of mass = 1.91784292204 0.347222434739 -1.14784605882 TCL: atom 1: phi = -0.516273574193 TCL: Center of mass = 1.92047132483 0.3472055653 -1.14791045943 TCL: atom 1: phi = -0.514962178139 TCL: Center of mass = 1.92310445921 0.347198561218 -1.14796581069 TCL: atom 1: phi = -0.513243395182 TCL: Center of mass = 1.92572964336 0.347183828401 -1.14802444144 TCL: atom 1: phi = -0.511762165794 TCL: Center of mass = 1.92835562628 0.347172222109 -1.14808343223 TCL: atom 1: phi = -0.509889435623 TCL: Center of mass = 1.93097804156 0.347167262412 -1.14813968129 TCL: atom 1: phi = -0.508358850758 TCL: Center of mass = 1.93359536998 0.347164529627 -1.14819229452 TCL: atom 1: phi = -0.506476915261 TCL: Center of mass = 1.93620783431 0.347159543982 -1.14823180861 TCL: atom 1: phi = -0.505058069556 TCL: Center of mass = 1.93882302622 0.347159950476 -1.14827966651 TCL: atom 1: phi = -0.503336901383 TCL: Center of mass = 1.94143991692 0.347163979085 -1.14832409414 TCL: atom 1: phi = -0.502244646336 TCL: Center of mass = 1.94406021338 0.347179594511 -1.14837001283 TCL: atom 1: phi = -0.500875318114 TCL: Center of mass = 1.94666161515 0.347198241386 -1.1484294146 TCL: atom 1: phi = -0.500190956404 TCL: Center of mass = 1.94925821435 0.347213452895 -1.14848931239 TCL: atom 1: phi = -0.499283219014 TCL: Center of mass = 1.95186234724 0.347231674664 -1.1485593606 TCL: atom 1: phi = -0.49913229031 TCL: Center of mass = 1.95446784055 0.347248435793 -1.14862779744 TCL: atom 1: phi = -0.498739259418 TCL: Center of mass = 1.95706928654 0.347268717505 -1.1486984163 TCL: atom 1: phi = -0.499024556984 TCL: Center of mass = 1.9596741601 0.347295849034 -1.14876965983 TCL: atom 1: phi = -0.498912231305 TCL: Center of mass = 1.96228442428 0.34731272658 -1.14884981485 TCL: atom 1: phi = -0.499266584603 TCL: Center of mass = 1.96489573234 0.347332360712 -1.14892072475 TCL: atom 1: phi = -0.499081538525 TCL: Center of mass = 1.96749700101 0.347365098876 -1.14899635994 TCL: atom 1: phi = -0.499309723273 TCL: Center of mass = 1.97009438687 0.347393829091 -1.14906083092 TCL: atom 1: phi = -0.499072744937 TCL: Center of mass = 1.97270083589 0.347428539676 -1.14912240445 TCL: atom 1: phi = -0.499168649621 TCL: Center of mass = 1.97531236497 0.347462098823 -1.1491866421 TCL: atom 1: phi = -0.498792553756 TCL: Center of mass = 1.97792058371 0.347487369636 -1.14926414507 TCL: atom 1: phi = -0.498809297481 TCL: Center of mass = 1.98053490179 0.347502412486 -1.14933732297 TCL: atom 1: phi = -0.498484446504 TCL: Center of mass = 1.98313927702 0.347512883403 -1.1494114199 TCL: atom 1: phi = -0.498537584639 TCL: Center of mass = 1.98574382579 0.347523323399 -1.14948585391 TCL: atom 1: phi = -0.498259424582 TCL: Center of mass = 1.98834707559 0.34753318471 -1.14956689875 TCL: atom 1: phi = -0.498364727679 TCL: Center of mass = 1.99094275642 0.347541285625 -1.1496436364 TCL: atom 1: phi = -0.498119592304 TCL: Center of mass = 1.99353763645 0.347547890657 -1.14972375089 TCL: atom 1: phi = -0.498234487137 TCL: Center of mass = 1.9961288512 0.347556155069 -1.14980703324 TCL: atom 1: phi = -0.49807745988 TCL: Center of mass = 1.99872705494 0.347564708429 -1.14989073552 TCL: atom 1: phi = -0.498319958649 TCL: Center of mass = 2.00133246084 0.347579224081 -1.14998308029 TCL: atom 1: phi = -0.498377094004 TCL: Center of mass = 2.00392071482 0.347588000454 -1.15006634779 TCL: atom 1: phi = -0.498777808608 TCL: Center of mass = 2.00651741351 0.347598679373 -1.15015706438 TCL: atom 1: phi = -0.498921949068 TCL: Center of mass = 2.00912250026 0.347618226721 -1.15024611022 TCL: atom 1: phi = -0.499313200775 TCL: Center of mass = 2.01173193777 0.347646493214 -1.15032471531 TCL: atom 1: phi = -0.499375030921 TCL: Center of mass = 2.01433571578 0.347676304222 -1.15040560563 TCL: atom 1: phi = -0.499507389841 TCL: Center of mass = 2.01694023456 0.347703665741 -1.15049183055 TCL: atom 1: phi = -0.499202092969 TCL: Center of mass = 2.01954387201 0.347715147356 -1.15056424944 TCL: atom 1: phi = -0.498825949697 TCL: Center of mass = 2.02214633577 0.347730077205 -1.15063468198 TCL: atom 1: phi = -0.498029405295 TCL: Center of mass = 2.02474507861 0.347747114171 -1.15069999298 TCL: atom 1: phi = -0.497222006921 TCL: Center of mass = 2.02733629544 0.347769709532 -1.15076430193 TCL: atom 1: phi = -0.496010267623 TCL: Center of mass = 2.02992224642 0.347791055766 -1.15082563422 TCL: atom 1: phi = -0.494911274296 TCL: Center of mass = 2.03250282941 0.347813522279 -1.15087088543 TCL: atom 1: phi = -0.493560817981 TCL: Center of mass = 2.03508779702 0.347826296558 -1.15092047573 TCL: atom 1: phi = -0.492448867759 TCL: Center of mass = 2.03768016226 0.347819659372 -1.15097438426 TCL: atom 1: phi = -0.491131065914 TCL: Center of mass = 2.04028315363 0.347811917617 -1.15102873579 TCL: atom 1: phi = -0.490066378909 TCL: Center of mass = 2.0428934568 0.347815001651 -1.15108148799 TCL: atom 1: phi = -0.48882244388 TCL: Center of mass = 2.04550888779 0.34781561438 -1.15113623848 TCL: atom 1: phi = -0.487828445638 TCL: Center of mass = 2.04813155053 0.347822077241 -1.15120019471 TCL: atom 1: phi = -0.486679771761 TCL: Center of mass = 2.05075927501 0.347830124175 -1.15125084927 TCL: atom 1: phi = -0.485873466034 TCL: Center of mass = 2.05340926159 0.347831746408 -1.15130057037 TCL: atom 1: phi = -0.484973292678 TCL: Center of mass = 2.05605353672 0.347836438713 -1.15134099818 TCL: atom 1: phi = -0.48440696078 TCL: Center of mass = 2.05869262637 0.347829952904 -1.15137606081 TCL: atom 1: phi = -0.483759261868 TCL: Center of mass = 2.06133462592 0.347835202237 -1.15139410399 TCL: atom 1: phi = -0.483427882479 TCL: Center of mass = 2.06398109167 0.347844079609 -1.15140783859 TCL: atom 1: phi = -0.482947087889 TCL: Center of mass = 2.06663329162 0.347846133811 -1.15143243617 TCL: atom 1: phi = -0.482621922817 TCL: Center of mass = 2.06928542784 0.347843930874 -1.15147126065 TCL: atom 1: phi = -0.482039653731 TCL: Center of mass = 2.0719380258 0.347830226961 -1.15151470857 TCL: atom 1: phi = -0.481559265202 TCL: Center of mass = 2.07459124573 0.347812749031 -1.15156690086 TCL: atom 1: phi = -0.480762414229 TCL: Center of mass = 2.07724679581 0.347793324781 -1.15162438185 TCL: atom 1: phi = -0.480079857148 TCL: Center of mass = 2.07990656107 0.347771182844 -1.15167681644 TCL: atom 1: phi = -0.479157653931 TCL: Center of mass = 2.08256219151 0.347755959942 -1.15172699057 TCL: atom 1: phi = -0.478508357219 TCL: Center of mass = 2.08521561332 0.347744710998 -1.1517743614 TCL: atom 1: phi = -0.477658317736 TCL: Center of mass = 2.08785925064 0.347730762393 -1.15182008737 TCL: atom 1: phi = -0.477080840551 TCL: Center of mass = 2.09050243054 0.347711721219 -1.15185883775 TCL: atom 1: phi = -0.476289526567 TCL: Center of mass = 2.09314126509 0.347688452444 -1.15189638355 TCL: atom 1: phi = -0.475758675051 TCL: Center of mass = 2.09577479042 0.34766461699 -1.15194334502 TCL: atom 1: phi = -0.474997884622 TCL: Center of mass = 2.09841030877 0.347646519689 -1.15197175788 TCL: atom 1: phi = -0.474503319708 TCL: Center of mass = 2.10106347431 0.347628846336 -1.15200728302 TCL: atom 1: phi = -0.473851314824 TCL: Center of mass = 2.10372117245 0.347614530271 -1.15205007459 TCL: atom 1: phi = -0.473545123377 TCL: Center of mass = 2.10637547734 0.347582495479 -1.1520976164 TCL: atom 1: phi = -0.473126626546 TCL: Center of mass = 2.10902938886 0.34754018544 -1.15214662018 TCL: atom 1: phi = -0.473021488055 TCL: Center of mass = 2.11168201556 0.347514651177 -1.15219038464 TCL: atom 1: phi = -0.472795662778 TCL: Center of mass = 2.11434166596 0.347496372462 -1.15222837325 TCL: atom 1: phi = -0.47281414503 TCL: Center of mass = 2.1170133606 0.347481075479 -1.15226282915 TCL: atom 1: phi = -0.472655143072 TCL: Center of mass = 2.11969144913 0.347459360706 -1.15229071999 TCL: atom 1: phi = -0.472518572513 TCL: Center of mass = 2.12236277355 0.347446698727 -1.1523154839 TCL: atom 1: phi = -0.472038436698 TCL: Center of mass = 2.125029466 0.347432892869 -1.15233607829 TCL: atom 1: phi = -0.471581967668 TCL: Center of mass = 2.12768929423 0.347437429932 -1.15235839064 TCL: atom 1: phi = -0.47075784841 TCL: Center of mass = 2.13034403727 0.347446789703 -1.15238479111 TCL: atom 1: phi = -0.470035905432 TCL: Center of mass = 2.13299927425 0.347455733193 -1.15240832527 TCL: atom 1: phi = -0.469066026453 TCL: Center of mass = 2.13563979066 0.347445443649 -1.15243138473 TCL: atom 1: phi = -0.468276403568 TCL: Center of mass = 2.13827996722 0.347440489239 -1.1524506574 TCL: atom 1: phi = -0.467301886907 TCL: Center of mass = 2.14091209625 0.347444049584 -1.15248032459 TCL: atom 1: phi = -0.4665617518 TCL: Center of mass = 2.14353660855 0.347433356313 -1.1525115285 TCL: atom 1: phi = -0.465754443706 TCL: Center of mass = 2.14616261378 0.347414706297 -1.15253636172 TCL: atom 1: phi = -0.465211586705 TCL: Center of mass = 2.14877703421 0.347395871111 -1.15256321264 TCL: atom 1: phi = -0.464574206865 TCL: Center of mass = 2.15138994299 0.347375145131 -1.15260051087 TCL: atom 1: phi = -0.464251555069 TCL: Center of mass = 2.15399363167 0.347356713905 -1.15263296064 TCL: atom 1: phi = -0.46385535682 TIMING: 1700 CPU: 287.255, 0.168914/step Wall: 351.123, 0.20689/step, 1.05169 hours remaining, 20275 kB of memory in use. ENERGY: 1700 417.1915 684.4007 420.7108 43.0344 -2775.5158 -252.6543 0.0000 0.0000 1130.7617 -332.0709 308.1642 -323.2834 -322.6836 302.2147 -239.2937 -131.9838 64000.0000 32.4017 28.6315 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700 WRITING COORDINATES TO DCD FILE AT STEP 1700 WRITING COORDINATES TO RESTART FILE AT STEP 1700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.15659629566 0.347331213028 -1.15266327152 TCL: atom 1: phi = -0.463802111556 TCL: Center of mass = 2.15919788224 0.347289635154 -1.15271107699 TCL: atom 1: phi = -0.463770273373 TCL: Center of mass = 2.16180317043 0.347257262904 -1.15275568049 TCL: atom 1: phi = -0.464102945635 TCL: Center of mass = 2.16441662439 0.347224683139 -1.15279998289 TCL: atom 1: phi = -0.464414600037 TCL: Center of mass = 2.16702151542 0.347185585071 -1.15285067123 TCL: atom 1: phi = -0.464999883074 TCL: Center of mass = 2.16962682701 0.347150557955 -1.15289766889 TCL: atom 1: phi = -0.465454916714 TCL: Center of mass = 2.17222593148 0.347115507002 -1.15295316838 TCL: atom 1: phi = -0.466072572889 TCL: Center of mass = 2.17482986593 0.347088362618 -1.15302303165 TCL: atom 1: phi = -0.466444737066 TCL: Center of mass = 2.17743167429 0.347052901519 -1.1530873712 TCL: atom 1: phi = -0.466791334882 TCL: Center of mass = 2.18003228589 0.347033949398 -1.1531573689 TCL: atom 1: phi = -0.466770276668 TCL: Center of mass = 2.18263506448 0.347015072011 -1.15323712303 TCL: atom 1: phi = -0.466695526883 TCL: Center of mass = 2.18524138598 0.346989861609 -1.15331656569 TCL: atom 1: phi = -0.466267151252 TCL: Center of mass = 2.18785879627 0.346957670561 -1.15340193765 TCL: atom 1: phi = -0.465890197925 TCL: Center of mass = 2.19047637068 0.346929825904 -1.1534889007 TCL: atom 1: phi = -0.465262383986 TCL: Center of mass = 2.19309467245 0.346893758248 -1.15358378705 TCL: atom 1: phi = -0.464802239254 TCL: Center of mass = 2.19571429701 0.346863121203 -1.15369642485 TCL: atom 1: phi = -0.464140920444 TCL: Center of mass = 2.19833751163 0.346827110568 -1.15382240757 TCL: atom 1: phi = -0.463600479281 TCL: Center of mass = 2.20096381708 0.34678592157 -1.15395007276 TCL: atom 1: phi = -0.462831537694 TCL: Center of mass = 2.20358872243 0.346747164178 -1.15407841898 TCL: atom 1: phi = -0.462209793057 TCL: Center of mass = 2.20620978046 0.346704930363 -1.15420670727 TCL: atom 1: phi = -0.461426049234 TCL: Center of mass = 2.20882515613 0.346665222038 -1.15434753315 TCL: atom 1: phi = -0.460843687656 TCL: Center of mass = 2.21143633431 0.346623586415 -1.15449835049 TCL: atom 1: phi = -0.460110802408 TCL: Center of mass = 2.21404870036 0.346590210026 -1.15465016839 TCL: atom 1: phi = -0.459674741929 TCL: Center of mass = 2.21666479472 0.346559519327 -1.15480727349 TCL: atom 1: phi = -0.459123636922 TCL: Center of mass = 2.21928352923 0.346536994469 -1.15496279606 TCL: atom 1: phi = -0.45888985012 TCL: Center of mass = 2.22190511202 0.346508768377 -1.15511007975 TCL: atom 1: phi = -0.458427421652 TCL: Center of mass = 2.22453692023 0.34646866063 -1.15527003222 TCL: atom 1: phi = -0.458144117604 TCL: Center of mass = 2.22716328432 0.346433183285 -1.15542439205 TCL: atom 1: phi = -0.457490475251 TCL: Center of mass = 2.22978634495 0.346390575204 -1.15558180643 TCL: atom 1: phi = -0.456890419168 TCL: Center of mass = 2.23241063298 0.346339379547 -1.15574208748 TCL: atom 1: phi = -0.455842839143 TCL: Center of mass = 2.23503307685 0.346287512294 -1.15589272758 TCL: atom 1: phi = -0.454805206311 TCL: Center of mass = 2.23765705216 0.346236151244 -1.15603852396 TCL: atom 1: phi = -0.453388350853 TCL: Center of mass = 2.2402682192 0.346183592815 -1.15618717385 TCL: atom 1: phi = -0.452185023789 TCL: Center of mass = 2.24288017144 0.346133922221 -1.15633496263 TCL: atom 1: phi = -0.450715901619 TCL: Center of mass = 2.24548185643 0.346086549498 -1.15648194995 TCL: atom 1: phi = -0.449624790138 TCL: Center of mass = 2.24808780124 0.346034968166 -1.15663167617 TCL: atom 1: phi = -0.448369565199 TCL: Center of mass = 2.25069561094 0.345979112578 -1.1567758128 TCL: atom 1: phi = -0.447595479497 TCL: Center of mass = 2.25330180272 0.34592399014 -1.1569122655 TCL: atom 1: phi = -0.446655830437 TCL: Center of mass = 2.25590987559 0.345857120825 -1.15704569636 TCL: atom 1: phi = -0.446229099253 TCL: Center of mass = 2.25852112245 0.345774561185 -1.15718345425 TCL: atom 1: phi = -0.445686377976 TCL: Center of mass = 2.26112396186 0.345699227423 -1.15731139118 TCL: atom 1: phi = -0.4457393572 TCL: Center of mass = 2.26371969606 0.345617125048 -1.15743217872 TCL: atom 1: phi = -0.445738208864 TCL: Center of mass = 2.26631688128 0.345539515732 -1.15755153242 TCL: atom 1: phi = -0.446333131896 TCL: Center of mass = 2.26891153321 0.345469155395 -1.15767953385 TCL: atom 1: phi = -0.446896073162 TCL: Center of mass = 2.27149892615 0.345412551263 -1.15780465385 TCL: atom 1: phi = -0.448101280465 TCL: Center of mass = 2.27408613872 0.34535014685 -1.15792492702 TCL: atom 1: phi = -0.449247757043 TCL: Center of mass = 2.27667556606 0.345285065216 -1.15804090274 TCL: atom 1: phi = -0.45082894239 TCL: Center of mass = 2.27926455803 0.345233281863 -1.15814645519 TCL: atom 1: phi = -0.452244299779 TCL: Center of mass = 2.28185142689 0.345181205884 -1.15825451066 TCL: atom 1: phi = -0.453863517934 TCL: Center of mass = 2.28443788124 0.345128046815 -1.15836319792 TCL: atom 1: phi = -0.455077937706 TCL: Center of mass = 2.28702231099 0.345070485579 -1.15846781136 TCL: atom 1: phi = -0.456240459314 TCL: Center of mass = 2.28958979125 0.345015249244 -1.15857773601 TCL: atom 1: phi = -0.456939339042 TCL: Center of mass = 2.29216174627 0.344951105479 -1.15869294542 TCL: atom 1: phi = -0.457537836273 TCL: Center of mass = 2.29473299715 0.344892710383 -1.15881042833 TCL: atom 1: phi = -0.457708807618 TCL: Center of mass = 2.29730592952 0.344832747017 -1.15891856206 TCL: atom 1: phi = -0.457913042714 TCL: Center of mass = 2.29987816185 0.344767999259 -1.15903164898 TCL: atom 1: phi = -0.457809060302 TCL: Center of mass = 2.30245839697 0.344697779319 -1.15913923685 TCL: atom 1: phi = -0.457843950729 TCL: Center of mass = 2.30503888087 0.344624982503 -1.15923910175 TCL: atom 1: phi = -0.457499798311 TCL: Center of mass = 2.3076388534 0.344558376365 -1.15933379236 TCL: atom 1: phi = -0.457216663464 TCL: Center of mass = 2.31023538785 0.344504555283 -1.15942005004 TCL: atom 1: phi = -0.456583017813 TCL: Center of mass = 2.31282496099 0.344459925306 -1.15950462993 TCL: atom 1: phi = -0.455943799803 TCL: Center of mass = 2.31540357482 0.344418528924 -1.15958483901 TCL: atom 1: phi = -0.454949210383 TCL: Center of mass = 2.31799600205 0.344380648685 -1.1596697263 TCL: atom 1: phi = -0.454079983558 TCL: Center of mass = 2.32058682061 0.344352415877 -1.15975174201 TCL: atom 1: phi = -0.453111337982 TCL: Center of mass = 2.3231687211 0.344324377079 -1.15983410529 TCL: atom 1: phi = -0.452460509462 TCL: Center of mass = 2.32574211744 0.344298289624 -1.15992867326 TCL: atom 1: phi = -0.451707439194 TCL: Center of mass = 2.32830540606 0.344259501885 -1.16002650466 TCL: atom 1: phi = -0.451286404526 TCL: Center of mass = 2.33087181127 0.344218722287 -1.16013570358 TCL: atom 1: phi = -0.450690004837 TCL: Center of mass = 2.33342497829 0.34419848884 -1.16024209757 TCL: atom 1: phi = -0.450262785081 TCL: Center of mass = 2.33596830967 0.344173389177 -1.16034760416 TCL: atom 1: phi = -0.449431161714 TCL: Center of mass = 2.33849755075 0.34414567291 -1.16044492799 TCL: atom 1: phi = -0.44851611117 TCL: Center of mass = 2.34103089826 0.34411052116 -1.16055126647 TCL: atom 1: phi = -0.447169302702 TCL: Center of mass = 2.34356071599 0.344081034474 -1.16065992756 TCL: atom 1: phi = -0.445924319076 TCL: Center of mass = 2.34609470166 0.344056788718 -1.16076471145 TCL: atom 1: phi = -0.444306271747 TCL: Center of mass = 2.34862990213 0.344032285123 -1.16085974969 TCL: atom 1: phi = -0.442834279622 TCL: Center of mass = 2.35116789369 0.344012338475 -1.16094969797 TCL: atom 1: phi = -0.441133954203 TCL: Center of mass = 2.3536898806 0.343985483089 -1.16103763949 TCL: atom 1: phi = -0.439740212889 TCL: Center of mass = 2.35621628655 0.343957832708 -1.1611347403 TCL: atom 1: phi = -0.438137691464 TCL: Center of mass = 2.35874913873 0.343932208665 -1.16124094495 TCL: atom 1: phi = -0.436742432442 TCL: Center of mass = 2.36127730371 0.343908896895 -1.16135306959 TCL: atom 1: phi = -0.435042854944 TCL: Center of mass = 2.36379912032 0.343886735468 -1.16147113632 TCL: atom 1: phi = -0.433530818128 TCL: Center of mass = 2.36632752618 0.343859940153 -1.16159371446 TCL: atom 1: phi = -0.431715298639 TCL: Center of mass = 2.36885568103 0.343828234858 -1.16172813434 TCL: atom 1: phi = -0.430108641093 TCL: Center of mass = 2.37138439397 0.343792349781 -1.16186181465 TCL: atom 1: phi = -0.428410093735 TCL: Center of mass = 2.37392662948 0.343751549525 -1.1620008312 TCL: atom 1: phi = -0.42710336931 TCL: Center of mass = 2.37646772695 0.34371936424 -1.16215153662 TCL: atom 1: phi = -0.425782357717 TCL: Center of mass = 2.37900993104 0.343683755922 -1.16229361635 TCL: atom 1: phi = -0.424978503987 TCL: Center of mass = 2.38155472748 0.343654838923 -1.16242723273 TCL: atom 1: phi = -0.424147532459 TCL: Center of mass = 2.3840868803 0.343627528748 -1.16255567771 TCL: atom 1: phi = -0.423752369758 TCL: Center of mass = 2.3866186292 0.343606297364 -1.16267823278 TCL: atom 1: phi = -0.423132633297 TCL: Center of mass = 2.38915316534 0.343582678276 -1.16279966905 TCL: atom 1: phi = -0.422871386318 TCL: Center of mass = 2.39169033962 0.343555498787 -1.1629276942 TCL: atom 1: phi = -0.422302176987 TCL: Center of mass = 2.39423969849 0.343537516791 -1.16306449542 TCL: atom 1: phi = -0.422107655961 TCL: Center of mass = 2.39679636559 0.343507693143 -1.16320100523 TCL: atom 1: phi = -0.421668818417 TCL: Center of mass = 2.39936524137 0.343479173194 -1.16333235641 TCL: atom 1: phi = -0.421682149994 TCL: Center of mass = 2.40193690134 0.34345136605 -1.16347222269 TCL: atom 1: phi = -0.421625781355 TCL: Center of mass = 2.40450511391 0.343419045616 -1.16360923664 TCL: atom 1: phi = -0.422087061836 TCL: Center of mass = 2.40706153213 0.343377130994 -1.16374223547 TCL: atom 1: phi = -0.422428326574 TCL: Center of mass = 2.40962507848 0.343327599876 -1.16386833511 TCL: atom 1: phi = -0.423168254162 TCL: Center of mass = 2.41219133974 0.343286189953 -1.16399611496 TCL: atom 1: phi = -0.423712652481 TIMING: 1800 CPU: 304.117, 0.168614/step Wall: 371.781, 0.206575/step, 1.04435 hours remaining, 20277 kB of memory in use. ENERGY: 1800 441.5597 689.5688 410.2705 38.6965 -2825.1809 -196.6795 0.0000 0.0000 1105.9844 -335.7805 301.4117 -326.7017 -326.4692 303.8838 115.0005 -33.7568 64000.0000 40.1905 39.0156 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800 WRITING COORDINATES TO DCD FILE AT STEP 1800 WRITING COORDINATES TO RESTART FILE AT STEP 1800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.41475927688 0.343253675126 -1.16411875795 TCL: atom 1: phi = -0.424530717553 TCL: Center of mass = 2.41733144086 0.343217477436 -1.16425466278 TCL: atom 1: phi = -0.425004040438 TCL: Center of mass = 2.4198971684 0.343185114853 -1.16437395486 TCL: atom 1: phi = -0.425644712664 TCL: Center of mass = 2.42245903833 0.343150419037 -1.16450762967 TCL: atom 1: phi = -0.425932661644 TCL: Center of mass = 2.42502277951 0.343119408895 -1.16464040257 TCL: atom 1: phi = -0.426484895158 TCL: Center of mass = 2.42758618385 0.343077920777 -1.1647764544 TCL: atom 1: phi = -0.426795763805 TCL: Center of mass = 2.43014210103 0.34303695949 -1.16492133565 TCL: atom 1: phi = -0.427446307795 TCL: Center of mass = 2.43268677794 0.342995234395 -1.16506144579 TCL: atom 1: phi = -0.42788133733 TCL: Center of mass = 2.43523055464 0.342946375731 -1.16520048409 TCL: atom 1: phi = -0.42853906836 TCL: Center of mass = 2.43777626914 0.342895040051 -1.16534051023 TCL: atom 1: phi = -0.428805115745 TCL: Center of mass = 2.44032222252 0.342831091449 -1.16550139578 TCL: atom 1: phi = -0.429123430513 TCL: Center of mass = 2.44288927604 0.34276694189 -1.1656672003 TCL: atom 1: phi = -0.42884056978 TCL: Center of mass = 2.44546813705 0.342707414387 -1.16583724044 TCL: atom 1: phi = -0.42851787756 TCL: Center of mass = 2.44804643688 0.342647100267 -1.16601074218 TCL: atom 1: phi = -0.427610802289 TCL: Center of mass = 2.45062056161 0.34258557618 -1.16619276583 TCL: atom 1: phi = -0.426859515859 TCL: Center of mass = 2.45319714583 0.342517409937 -1.16636879811 TCL: atom 1: phi = -0.425880215577 TCL: Center of mass = 2.45576288902 0.342456165275 -1.16653829457 TCL: atom 1: phi = -0.42527297687 TCL: Center of mass = 2.4583251318 0.342392233016 -1.16671324894 TCL: atom 1: phi = -0.424602852039 TCL: Center of mass = 2.46088898982 0.342318766431 -1.16687458282 TCL: atom 1: phi = -0.424398017594 TCL: Center of mass = 2.46344596042 0.342257043166 -1.16704017963 TCL: atom 1: phi = -0.42403534116 TCL: Center of mass = 2.4660019691 0.342190531608 -1.16721320857 TCL: atom 1: phi = -0.424097160457 TCL: Center of mass = 2.46855938003 0.342129614555 -1.16739441816 TCL: atom 1: phi = -0.4238561519 TCL: Center of mass = 2.47112394664 0.342056167494 -1.16757298827 TCL: atom 1: phi = -0.423957605484 TCL: Center of mass = 2.4736848027 0.341975574038 -1.16775133359 TCL: atom 1: phi = -0.423861853832 TCL: Center of mass = 2.47623370102 0.341891555937 -1.16793301277 TCL: atom 1: phi = -0.424174715124 TCL: Center of mass = 2.47878713447 0.341822564499 -1.16811778609 TCL: atom 1: phi = -0.424405691487 TCL: Center of mass = 2.48134953736 0.341749257094 -1.16827779646 TCL: atom 1: phi = -0.425168473674 TCL: Center of mass = 2.48390907497 0.341685025837 -1.16844788565 TCL: atom 1: phi = -0.425904050315 TCL: Center of mass = 2.48646063939 0.341621276995 -1.16862188489 TCL: atom 1: phi = -0.427133732506 TCL: Center of mass = 2.48900522532 0.341562162406 -1.16879853014 TCL: atom 1: phi = -0.42812198832 TCL: Center of mass = 2.49155245415 0.341501102033 -1.16898732645 TCL: atom 1: phi = -0.429333893342 TCL: Center of mass = 2.49408607286 0.341445160079 -1.16917526401 TCL: atom 1: phi = -0.430041401767 TCL: Center of mass = 2.49662521919 0.341391579381 -1.1693598649 TCL: atom 1: phi = -0.430752784726 TCL: Center of mass = 2.49916841541 0.341342371515 -1.16955043626 TCL: atom 1: phi = -0.430944539216 TCL: Center of mass = 2.50171226834 0.341293412212 -1.16974661812 TCL: atom 1: phi = -0.431152689319 TCL: Center of mass = 2.50424857872 0.341234939672 -1.16994027527 TCL: atom 1: phi = -0.430968464877 TCL: Center of mass = 2.50678878151 0.341168395229 -1.17013077535 TCL: atom 1: phi = -0.430974720377 TCL: Center of mass = 2.50933269388 0.341095485088 -1.17032703948 TCL: atom 1: phi = -0.430754249072 TCL: Center of mass = 2.51186989616 0.341024529008 -1.17053172355 TCL: atom 1: phi = -0.430887862759 TCL: Center of mass = 2.51441586644 0.340950394196 -1.17074229295 TCL: atom 1: phi = -0.430702454259 TCL: Center of mass = 2.51695887349 0.340867011809 -1.17094958351 TCL: atom 1: phi = -0.430782616348 TCL: Center of mass = 2.51950639784 0.340770647753 -1.17115271857 TCL: atom 1: phi = -0.430452882828 TCL: Center of mass = 2.5220586914 0.34067288813 -1.1713388971 TCL: atom 1: phi = -0.430186000071 TCL: Center of mass = 2.52460666448 0.340580865979 -1.17152279468 TCL: atom 1: phi = -0.429436627405 TCL: Center of mass = 2.52715707969 0.340488651932 -1.17170311087 TCL: atom 1: phi = -0.428928632706 TCL: Center of mass = 2.5297061546 0.340397204324 -1.17188138466 TCL: atom 1: phi = -0.428143305266 TCL: Center of mass = 2.53225582911 0.340309237156 -1.17205973468 TCL: atom 1: phi = -0.427903983461 TCL: Center of mass = 2.53481470455 0.340218175791 -1.17223235576 TCL: atom 1: phi = -0.427605398036 TCL: Center of mass = 2.53737496142 0.340110139384 -1.17240750898 TCL: atom 1: phi = -0.427893443821 TCL: Center of mass = 2.53992918203 0.339999910884 -1.17256401978 TCL: atom 1: phi = -0.427923948279 TCL: Center of mass = 2.54248649358 0.339896295742 -1.17271792535 TCL: atom 1: phi = -0.428325843519 TCL: Center of mass = 2.54502298545 0.339792180387 -1.17288619346 TCL: atom 1: phi = -0.428273501606 TCL: Center of mass = 2.54756189773 0.339680104772 -1.17306047368 TCL: atom 1: phi = -0.428311043419 TCL: Center of mass = 2.55010404777 0.339566904746 -1.17323605461 TCL: atom 1: phi = -0.42771755684 TCL: Center of mass = 2.55266279172 0.339457966641 -1.17341272724 TCL: atom 1: phi = -0.427204296855 TCL: Center of mass = 2.55521854807 0.339345429286 -1.17358528336 TCL: atom 1: phi = -0.426220571333 TCL: Center of mass = 2.55777841975 0.339237428396 -1.1737608779 TCL: atom 1: phi = -0.425636219001 TCL: Center of mass = 2.56034626228 0.33913475568 -1.1739422455 TCL: atom 1: phi = -0.424864345261 TCL: Center of mass = 2.5629203905 0.33902637057 -1.17412811882 TCL: atom 1: phi = -0.424688529776 TCL: Center of mass = 2.56549054699 0.338906326438 -1.17431702248 TCL: atom 1: phi = -0.424380945294 TCL: Center of mass = 2.56806135143 0.338789504314 -1.17450955603 TCL: atom 1: phi = -0.424597417826 TCL: Center of mass = 2.57063682168 0.338675516433 -1.17468764646 TCL: atom 1: phi = -0.424531974142 TCL: Center of mass = 2.57321250104 0.338557152828 -1.1748748008 TCL: atom 1: phi = -0.424757160816 TCL: Center of mass = 2.57578809231 0.338435262477 -1.17506029887 TCL: atom 1: phi = -0.424628755991 TCL: Center of mass = 2.57836287069 0.338324314776 -1.17524151957 TCL: atom 1: phi = -0.424858339688 TCL: Center of mass = 2.58093728534 0.338209069365 -1.17541199872 TCL: atom 1: phi = -0.424905470676 TCL: Center of mass = 2.58350872237 0.338104944451 -1.17558612811 TCL: atom 1: phi = -0.425494923917 TCL: Center of mass = 2.58606609414 0.338001442042 -1.17575107326 TCL: atom 1: phi = -0.426131857317 TCL: Center of mass = 2.58863437346 0.337895322215 -1.17590950055 TCL: atom 1: phi = -0.427423130767 TCL: Center of mass = 2.59120673404 0.337784580887 -1.17607875445 TCL: atom 1: phi = -0.428699997314 TCL: Center of mass = 2.59378462391 0.337678367552 -1.17624250485 TCL: atom 1: phi = -0.430390147117 TCL: Center of mass = 2.5963507725 0.337567455263 -1.17640364794 TCL: atom 1: phi = -0.431809707194 TCL: Center of mass = 2.59891246198 0.337462571049 -1.17656812825 TCL: atom 1: phi = -0.433288046295 TCL: Center of mass = 2.60147604999 0.337357449248 -1.17673662721 TCL: atom 1: phi = -0.434227734372 TCL: Center of mass = 2.60404282962 0.337240722924 -1.17691948578 TCL: atom 1: phi = -0.435062833968 TCL: Center of mass = 2.60661913554 0.337129530558 -1.17709541223 TCL: atom 1: phi = -0.435362937291 TCL: Center of mass = 2.60918321193 0.337019999803 -1.17725817759 TCL: atom 1: phi = -0.435655479656 TCL: Center of mass = 2.61173740191 0.336903862856 -1.17741903303 TCL: atom 1: phi = -0.43568021466 TCL: Center of mass = 2.61429643897 0.336799722259 -1.17758471229 TCL: atom 1: phi = -0.435861930035 TCL: Center of mass = 2.61686016511 0.336683583323 -1.17775591771 TCL: atom 1: phi = -0.435801399243 TCL: Center of mass = 2.61942387209 0.336571711992 -1.17792502417 TCL: atom 1: phi = -0.435834411245 TCL: Center of mass = 2.62198416156 0.336457024459 -1.17808556016 TCL: atom 1: phi = -0.435461958983 TCL: Center of mass = 2.62454625845 0.336336054597 -1.17824789861 TCL: atom 1: phi = -0.434948685161 TCL: Center of mass = 2.62711127311 0.336213235508 -1.17840154602 TCL: atom 1: phi = -0.433854176785 TCL: Center of mass = 2.62967388228 0.336092960396 -1.17853817031 TCL: atom 1: phi = -0.432560586355 TCL: Center of mass = 2.63223298992 0.335971816617 -1.1786744452 TCL: atom 1: phi = -0.43080975572 TCL: Center of mass = 2.63480157463 0.335856210097 -1.17882108272 TCL: atom 1: phi = -0.429043409563 TCL: Center of mass = 2.63736263268 0.335741949965 -1.1789684955 TCL: atom 1: phi = -0.427088385284 TCL: Center of mass = 2.63992266246 0.335622250505 -1.1791141795 TCL: atom 1: phi = -0.425416822283 TCL: Center of mass = 2.64247988453 0.335513196395 -1.17926043083 TCL: atom 1: phi = -0.423687575017 TCL: Center of mass = 2.64503103149 0.33540773302 -1.17940774063 TCL: atom 1: phi = -0.422284173587 TCL: Center of mass = 2.64758582144 0.335297455542 -1.17955954997 TCL: atom 1: phi = -0.420748603008 TCL: Center of mass = 2.6501381913 0.335175779843 -1.17971923896 TCL: atom 1: phi = -0.419528789682 TCL: Center of mass = 2.6526956334 0.335049666841 -1.17988049802 TCL: atom 1: phi = -0.41793599083 TCL: Center of mass = 2.65524685191 0.334921255594 -1.18005707772 TCL: atom 1: phi = -0.416454861746 TCL: Center of mass = 2.65779921372 0.334789856543 -1.18022520851 TCL: atom 1: phi = -0.41455305918 TCL: Center of mass = 2.66036136837 0.334663739983 -1.18038321782 TCL: atom 1: phi = -0.412964273069 TCL: Center of mass = 2.66292590766 0.334545187273 -1.18053285449 TCL: atom 1: phi = -0.411268422532 TCL: Center of mass = 2.66548712007 0.334416592041 -1.18068163324 TCL: atom 1: phi = -0.410155171865 TCL: Center of mass = 2.66804844349 0.334296871372 -1.18084752599 TCL: atom 1: phi = -0.4090601017 TIMING: 1900 CPU: 321.039, 0.169224/step Wall: 392.503, 0.207218/step, 1.04184 hours remaining, 20280 kB of memory in use. ENERGY: 1900 382.5159 694.7785 415.3450 40.4758 -2777.4708 -218.2380 0.0000 0.0000 1125.7548 -336.8387 306.7997 -328.1552 -326.4864 303.3222 730.2564 396.9352 64000.0000 92.9482 89.5272 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900 WRITING COORDINATES TO DCD FILE AT STEP 1900 WRITING COORDINATES TO RESTART FILE AT STEP 1900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.67060410594 0.334187037501 -1.18101310839 TCL: atom 1: phi = -0.408677844739 TCL: Center of mass = 2.67314282331 0.33408009978 -1.18117985591 TCL: atom 1: phi = -0.408299584049 TCL: Center of mass = 2.67567383182 0.333990853558 -1.18134405127 TCL: atom 1: phi = -0.408423168396 TCL: Center of mass = 2.67821142614 0.333906895233 -1.18149838809 TCL: atom 1: phi = -0.4082769289 TCL: Center of mass = 2.68075101576 0.333825340368 -1.18164208047 TCL: atom 1: phi = -0.408423305598 TCL: Center of mass = 2.68327242989 0.3337509119 -1.18178399178 TCL: atom 1: phi = -0.408165725436 TCL: Center of mass = 2.68580465244 0.333685407348 -1.18192133223 TCL: atom 1: phi = -0.408259951521 TCL: Center of mass = 2.68833764606 0.33362760508 -1.18206026675 TCL: atom 1: phi = -0.408218250402 TCL: Center of mass = 2.69085999608 0.333572555395 -1.18219288398 TCL: atom 1: phi = -0.408775317532 TCL: Center of mass = 2.69338044955 0.333527044268 -1.18232694061 TCL: atom 1: phi = -0.409373432206 TCL: Center of mass = 2.69589264568 0.333484848925 -1.18246421016 TCL: atom 1: phi = -0.410581697315 TCL: Center of mass = 2.69839118122 0.33344429976 -1.18260677705 TCL: atom 1: phi = -0.411663656669 TCL: Center of mass = 2.70089547725 0.333405170072 -1.18274709032 TCL: atom 1: phi = -0.413145404189 TCL: Center of mass = 2.70339788983 0.333361458591 -1.18288675261 TCL: atom 1: phi = -0.414209786354 TCL: Center of mass = 2.70588884408 0.333319483828 -1.18303284122 TCL: atom 1: phi = -0.415365596334 TCL: Center of mass = 2.70838529242 0.333274200286 -1.18317650852 TCL: atom 1: phi = -0.415978466481 TCL: Center of mass = 2.71088106073 0.33322179394 -1.18332751866 TCL: atom 1: phi = -0.416655017856 TCL: Center of mass = 2.71338158511 0.33317172897 -1.183472983 TCL: atom 1: phi = -0.416928490312 TCL: Center of mass = 2.71587231234 0.33312863005 -1.18361864227 TCL: atom 1: phi = -0.417530073365 TCL: Center of mass = 2.71835448763 0.33307755733 -1.18376416288 TCL: atom 1: phi = -0.417932433323 TCL: Center of mass = 2.72084034368 0.333028870188 -1.18391121548 TCL: atom 1: phi = -0.41867149111 TCL: Center of mass = 2.7233388094 0.332991368074 -1.18406334295 TCL: atom 1: phi = -0.419232467231 TCL: Center of mass = 2.72583788279 0.332958311357 -1.18421910563 TCL: atom 1: phi = -0.419974556274 TCL: Center of mass = 2.72834136696 0.332923212066 -1.1843659164 TCL: atom 1: phi = -0.420330263681 TCL: Center of mass = 2.73085770516 0.332892674807 -1.18451275639 TCL: atom 1: phi = -0.420629340175 TCL: Center of mass = 2.73337821308 0.332851859439 -1.18466023663 TCL: atom 1: phi = -0.420460442632 TCL: Center of mass = 2.7358971209 0.332822957565 -1.18480694273 TCL: atom 1: phi = -0.420279237217 TCL: Center of mass = 2.73841336429 0.33279648914 -1.18494412404 TCL: atom 1: phi = -0.419795271305 TCL: Center of mass = 2.7409320181 0.332768206778 -1.18509506234 TCL: atom 1: phi = -0.419528390447 TCL: Center of mass = 2.74343971983 0.332732447111 -1.18523824093 TCL: atom 1: phi = -0.419155369743 TCL: Center of mass = 2.74594438647 0.332683461175 -1.1853896967 TCL: atom 1: phi = -0.419138588723 TCL: Center of mass = 2.74845720572 0.332636756975 -1.18555655312 TCL: atom 1: phi = -0.419062983528 TCL: Center of mass = 2.75095597761 0.332582021363 -1.18573193467 TCL: atom 1: phi = -0.419317489467 TCL: Center of mass = 2.75347069449 0.332527358908 -1.18591793932 TCL: atom 1: phi = -0.419282058641 TCL: Center of mass = 2.75598933075 0.332461664079 -1.18610717608 TCL: atom 1: phi = -0.419269270761 TCL: Center of mass = 2.7585059523 0.332398445879 -1.18628719247 TCL: atom 1: phi = -0.418791704526 TCL: Center of mass = 2.7610174107 0.332329903542 -1.18645685787 TCL: atom 1: phi = -0.418287522188 TCL: Center of mass = 2.76353020621 0.332261529913 -1.18661448484 TCL: atom 1: phi = -0.417410661518 TCL: Center of mass = 2.76604695316 0.332203866705 -1.18676980574 TCL: atom 1: phi = -0.416707781301 TCL: Center of mass = 2.76856509368 0.332146896301 -1.1869182014 TCL: atom 1: phi = -0.415853651347 TCL: Center of mass = 2.77108012396 0.332099042193 -1.18705473668 TCL: atom 1: phi = -0.415342280028 TCL: Center of mass = 2.77358581986 0.332045700703 -1.18720033946 TCL: atom 1: phi = -0.41480310508 TCL: Center of mass = 2.77608737376 0.331994477806 -1.18734801551 TCL: atom 1: phi = -0.414666124605 TCL: Center of mass = 2.77858953521 0.331943421303 -1.18749181397 TCL: atom 1: phi = -0.414302104286 TCL: Center of mass = 2.78109411412 0.331892053221 -1.18764352272 TCL: atom 1: phi = -0.414140319186 TCL: Center of mass = 2.78359972775 0.33182914374 -1.18779207036 TCL: atom 1: phi = -0.41367028193 TCL: Center of mass = 2.78611048125 0.331775108003 -1.18794268718 TCL: atom 1: phi = -0.413357404357 TCL: Center of mass = 2.78863291348 0.331726475462 -1.18810676047 TCL: atom 1: phi = -0.412769954309 TCL: Center of mass = 2.79114872049 0.331671885308 -1.18826724932 TCL: atom 1: phi = -0.412536155951 TCL: Center of mass = 2.79366849786 0.331609059004 -1.18842234852 TCL: atom 1: phi = -0.412159481446 TCL: Center of mass = 2.79618712994 0.331537553876 -1.18858523807 TCL: atom 1: phi = -0.412288861468 TCL: Center of mass = 2.79870644682 0.331468232359 -1.18875976077 TCL: atom 1: phi = -0.412286424017 TCL: Center of mass = 2.80122202599 0.331396725494 -1.18893066489 TCL: atom 1: phi = -0.412732208653 TCL: Center of mass = 2.803732965 0.331321587385 -1.18910520634 TCL: atom 1: phi = -0.412889518962 TCL: Center of mass = 2.80623920449 0.33125474976 -1.18927745983 TCL: atom 1: phi = -0.413245440573 TCL: Center of mass = 2.80874609014 0.33118040728 -1.18945863349 TCL: atom 1: phi = -0.413093089683 TCL: Center of mass = 2.81125546681 0.331100772903 -1.18964281985 TCL: atom 1: phi = -0.412980412902 TCL: Center of mass = 2.81376410853 0.331027034788 -1.18981835374 TCL: atom 1: phi = -0.412309593538 TCL: Center of mass = 2.81627037227 0.330950217881 -1.18997547775 TCL: atom 1: phi = -0.411665364755 TCL: Center of mass = 2.81878454045 0.33088184769 -1.19012442633 TCL: atom 1: phi = -0.410609290093 TCL: Center of mass = 2.82129187407 0.330806926292 -1.19027110561 TCL: atom 1: phi = -0.409871370588 TCL: Center of mass = 2.82379777671 0.330727227978 -1.19041789228 TCL: atom 1: phi = -0.408813467762 TCL: Center of mass = 2.82630463314 0.330654277921 -1.19056110399 TCL: atom 1: phi = -0.408150477465 TCL: Center of mass = 2.82881241355 0.330586494292 -1.19070395557 TCL: atom 1: phi = -0.407068190927 TCL: Center of mass = 2.83133990608 0.330541052897 -1.1908623564 TCL: atom 1: phi = -0.406307845739 TCL: Center of mass = 2.8338699388 0.330492233264 -1.19101797855 TCL: atom 1: phi = -0.405033126338 TCL: Center of mass = 2.83639531778 0.330440132273 -1.19117274258 TCL: atom 1: phi = -0.403969105985 TCL: Center of mass = 2.8389229463 0.330381448814 -1.19133015759 TCL: atom 1: phi = -0.402361871367 TCL: Center of mass = 2.84145136731 0.330328043689 -1.19148916012 TCL: atom 1: phi = -0.401190417957 TCL: Center of mass = 2.84399029448 0.330273656896 -1.1916480289 TCL: atom 1: phi = -0.399689927554 TCL: Center of mass = 2.8465440627 0.330220340298 -1.19181284928 TCL: atom 1: phi = -0.398873732832 TCL: Center of mass = 2.84910022835 0.330164265929 -1.19198941704 TCL: atom 1: phi = -0.398010468756 TCL: Center of mass = 2.85166137748 0.33010792412 -1.19216526845 TCL: atom 1: phi = -0.397957940296 TCL: Center of mass = 2.8542362561 0.330058267914 -1.19234807659 TCL: atom 1: phi = -0.397782332409 TCL: Center of mass = 2.85682482886 0.330005736886 -1.1925368705 TCL: atom 1: phi = -0.398263945463 TCL: Center of mass = 2.8594275772 0.329940404721 -1.19270555991 TCL: atom 1: phi = -0.3984583546 TCL: Center of mass = 2.86202560178 0.329875155465 -1.19287319593 TCL: atom 1: phi = -0.399062307545 TCL: Center of mass = 2.86461566631 0.329823136516 -1.19304116842 TCL: atom 1: phi = -0.399298052745 TCL: Center of mass = 2.86721013543 0.329771037168 -1.19321843503 TCL: atom 1: phi = -0.399909326119 TCL: Center of mass = 2.86981134524 0.329714562708 -1.19339883818 TCL: atom 1: phi = -0.400260654785 TCL: Center of mass = 2.87242255948 0.329666258526 -1.19357517899 TCL: atom 1: phi = -0.401058042524 TCL: Center of mass = 2.87502854592 0.329603208338 -1.19374467554 TCL: atom 1: phi = -0.401675112732 TCL: Center of mass = 2.87761506596 0.329544398092 -1.19391572267 TCL: atom 1: phi = -0.402716979004 TCL: Center of mass = 2.88021932798 0.329489342715 -1.19408140173 TCL: atom 1: phi = -0.403455308063 TCL: Center of mass = 2.88282456845 0.329427158135 -1.19425472466 TCL: atom 1: phi = -0.404440444473 TCL: Center of mass = 2.88543451841 0.329368186077 -1.19442686012 TCL: atom 1: phi = -0.404979183 TCL: Center of mass = 2.88804383271 0.329308516457 -1.1945953596 TCL: atom 1: phi = -0.405535619302 TCL: Center of mass = 2.89064699408 0.329236560006 -1.19476817718 TCL: atom 1: phi = -0.405582472416 TCL: Center of mass = 2.89325953942 0.32915453617 -1.19492631624 TCL: atom 1: phi = -0.40561095585 TCL: Center of mass = 2.89587010112 0.329062733219 -1.19508695452 TCL: atom 1: phi = -0.405209294636 TCL: Center of mass = 2.89847674102 0.328976059833 -1.19525190941 TCL: atom 1: phi = -0.405070232658 TCL: Center of mass = 2.90109042813 0.328888792837 -1.1954127503 TCL: atom 1: phi = -0.404641711166 TCL: Center of mass = 2.90370655948 0.328783510845 -1.1955604672 TCL: atom 1: phi = -0.404615447652 TCL: Center of mass = 2.90631927604 0.328671542146 -1.1957134917 TCL: atom 1: phi = -0.40438501189 TCL: Center of mass = 2.90892318036 0.328560171849 -1.19587419953 TCL: atom 1: phi = -0.40445293394 TCL: Center of mass = 2.91153027433 0.328453148353 -1.19603413447 TCL: atom 1: phi = -0.404228498111 TCL: Center of mass = 2.91413970578 0.328333720157 -1.19619036346 TCL: atom 1: phi = -0.404147313723 TCL: Center of mass = 2.9167397377 0.328206869484 -1.19634366715 TCL: atom 1: phi = -0.403631114929 TCL: Center of mass = 2.9193276702 0.328079641847 -1.19649221003 TCL: atom 1: phi = -0.40315885432 TCL: Center of mass = 2.92191680238 0.327964456513 -1.19664160849 TCL: atom 1: phi = -0.402276924345 TIMING: 2000 CPU: 337.919, 0.168794/step Wall: 413.177, 0.20674/step, 1.0337 hours remaining, 20281 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 409.4911 675.0528 405.1993 41.5274 -2770.4404 -223.9985 0.0000 0.0000 1132.9952 -330.1729 308.7729 -321.1709 -320.6034 302.9718 71.4466 -202.5160 64000.0000 97.0792 91.0020 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000 WRITING COORDINATES TO DCD FILE AT STEP 2000 WRITING COORDINATES TO RESTART FILE AT STEP 2000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 2.92449790555 0.327841613967 -1.19678954448 TCL: atom 1: phi = -0.401623099975 TCL: Center of mass = 2.92707980675 0.327718723782 -1.19694379139 TCL: atom 1: phi = -0.400662484708 TCL: Center of mass = 2.92966128192 0.327600728629 -1.19709905375 TCL: atom 1: phi = -0.399996048789 TCL: Center of mass = 2.93223983491 0.327479984948 -1.19726002468 TCL: atom 1: phi = -0.399096767718 TCL: Center of mass = 2.93481417867 0.327360847856 -1.19743411131 TCL: atom 1: phi = -0.398446750894 TCL: Center of mass = 2.93739286142 0.327238593682 -1.19760559073 TCL: atom 1: phi = -0.39743570121 TCL: Center of mass = 2.93996898317 0.327107776271 -1.1977713486 TCL: atom 1: phi = -0.39665891444 TCL: Center of mass = 2.94255260764 0.326973583018 -1.19793928435 TCL: atom 1: phi = -0.395473590363 TCL: Center of mass = 2.94513599193 0.326837438257 -1.19809878992 TCL: atom 1: phi = -0.394414746005 TCL: Center of mass = 2.94771753721 0.326702106589 -1.19826074509 TCL: atom 1: phi = -0.39299617693 TCL: Center of mass = 2.95030762442 0.326561147799 -1.19843096604 TCL: atom 1: phi = -0.391942676134 TCL: Center of mass = 2.95289605787 0.326423769912 -1.19861242649 TCL: atom 1: phi = -0.390761714942 TCL: Center of mass = 2.95547694835 0.326290210867 -1.19880116323 TCL: atom 1: phi = -0.390211883703 TCL: Center of mass = 2.95806446705 0.326161949637 -1.19898289282 TCL: atom 1: phi = -0.389716469526 TCL: Center of mass = 2.96065803951 0.326029067813 -1.19916000072 TCL: atom 1: phi = -0.389837741654 TCL: Center of mass = 2.96324825222 0.325909123278 -1.19933089831 TCL: atom 1: phi = -0.389941936113 TCL: Center of mass = 2.96584215431 0.325772134051 -1.19949463364 TCL: atom 1: phi = -0.390523521163 TCL: Center of mass = 2.96842700928 0.325641008172 -1.19966882708 TCL: atom 1: phi = -0.390904076032 TCL: Center of mass = 2.97101459507 0.32550496172 -1.19983403939 TCL: atom 1: phi = -0.39162712791 TCL: Center of mass = 2.9735981651 0.325362261416 -1.19999913567 TCL: atom 1: phi = -0.392091687936 TCL: Center of mass = 2.976184702 0.325215799611 -1.200165354 TCL: atom 1: phi = -0.392877411443 TCL: Center of mass = 2.97877061743 0.325063154021 -1.20033236324 TCL: atom 1: phi = -0.393503295807 TCL: Center of mass = 2.98134886018 0.324905998527 -1.20049888161 TCL: atom 1: phi = -0.394534651422 TCL: Center of mass = 2.98392239122 0.324752919855 -1.20066732899 TCL: atom 1: phi = -0.395497120115 TCL: Center of mass = 2.9864982779 0.3245997297 -1.20081905851 TCL: atom 1: phi = -0.396831041043 TCL: Center of mass = 2.98908179817 0.324442839273 -1.20096484876 TCL: atom 1: phi = -0.398049368861 TCL: Center of mass = 2.99166529998 0.324295570889 -1.20110297271 TCL: atom 1: phi = -0.399426430252 TCL: Center of mass = 2.99424432263 0.324138527472 -1.20125166382 TCL: atom 1: phi = -0.40050485243 TCL: Center of mass = 2.99683395905 0.323981117328 -1.20140765238 TCL: atom 1: phi = -0.401608196854 TCL: Center of mass = 2.99941526144 0.323822896897 -1.20157395922 TCL: atom 1: phi = -0.402361453046 TCL: Center of mass = 3.00200925809 0.323661468693 -1.20173711041 TCL: atom 1: phi = -0.403142846101 TCL: Center of mass = 3.00459803473 0.323505610157 -1.20190752654 TCL: atom 1: phi = -0.403595435946 TCL: Center of mass = 3.00718813301 0.323349186881 -1.20208285076 TCL: atom 1: phi = -0.404188827515 TCL: Center of mass = 3.00978065139 0.323213488648 -1.20227051187 TCL: atom 1: phi = -0.404663087842 TCL: Center of mass = 3.0123957897 0.323077706421 -1.20246184449 TCL: atom 1: phi = -0.405429705443 TCL: Center of mass = 3.0150051006 0.322948682276 -1.20263885718 TCL: atom 1: phi = -0.406074875955 TCL: Center of mass = 3.01761933259 0.322827209702 -1.2028155443 TCL: atom 1: phi = -0.406894756992 TCL: Center of mass = 3.02024719141 0.322693142465 -1.20298786143 TCL: atom 1: phi = -0.407465669168 TCL: Center of mass = 3.0228731336 0.322569605456 -1.2031583072 TCL: atom 1: phi = -0.408091784314 TCL: Center of mass = 3.02550187585 0.322441602292 -1.20332682589 TCL: atom 1: phi = -0.408438899404 TCL: Center of mass = 3.02812765201 0.322320249324 -1.20349095926 TCL: atom 1: phi = -0.408824552932 TCL: Center of mass = 3.03075495288 0.322193779816 -1.20364642464 TCL: atom 1: phi = -0.408970265181 TCL: Center of mass = 3.03338532609 0.322053351288 -1.20381108981 TCL: atom 1: phi = -0.409201141289 TCL: Center of mass = 3.0360078306 0.321909217643 -1.20398171963 TCL: atom 1: phi = -0.4093327446 TCL: Center of mass = 3.03862981242 0.321768559087 -1.2041536855 TCL: atom 1: phi = -0.409661238813 TCL: Center of mass = 3.04126110401 0.321628707081 -1.20432167762 TCL: atom 1: phi = -0.409932682657 TCL: Center of mass = 3.04389901486 0.321498359053 -1.20449424136 TCL: atom 1: phi = -0.410368254277 TCL: Center of mass = 3.04653187016 0.32138063514 -1.2046639841 TCL: atom 1: phi = -0.410645945982 TCL: Center of mass = 3.0491609864 0.321266738701 -1.20483841128 TCL: atom 1: phi = -0.410839670644 TCL: Center of mass = 3.05179250909 0.321148254192 -1.20501747829 TCL: atom 1: phi = -0.410646110383 TCL: Center of mass = 3.05442901559 0.321033466289 -1.20518992454 TCL: atom 1: phi = -0.410364091056 TCL: Center of mass = 3.05707158001 0.320916275412 -1.20535818181 TCL: atom 1: phi = -0.40967938443 TCL: Center of mass = 3.0597184387 0.320778962888 -1.20552791381 TCL: atom 1: phi = -0.409029632477 TCL: Center of mass = 3.06236943492 0.320631521812 -1.20568974755 TCL: atom 1: phi = -0.408160671873 TCL: Center of mass = 3.06502567224 0.320476816068 -1.20585583109 TCL: atom 1: phi = -0.407507022633 TCL: Center of mass = 3.06768275363 0.320325196273 -1.20602826942 TCL: atom 1: phi = -0.406726104933 TCL: Center of mass = 3.07034154556 0.320168073448 -1.20619189407 TCL: atom 1: phi = -0.406150681933 TCL: Center of mass = 3.07298991768 0.320008784398 -1.20635498668 TCL: atom 1: phi = -0.405302098912 TCL: Center of mass = 3.07565320398 0.319852019696 -1.20650899343 TCL: atom 1: phi = -0.404571095701 TCL: Center of mass = 3.07831166749 0.31969043677 -1.20666948163 TCL: atom 1: phi = -0.403490547506 TCL: Center of mass = 3.08096553869 0.31952066239 -1.2068317338 TCL: atom 1: phi = -0.402441395186 TCL: Center of mass = 3.08361110561 0.319339315829 -1.2070104241 TCL: atom 1: phi = -0.401031972471 TCL: Center of mass = 3.08625624701 0.319157846063 -1.20718110569 TCL: atom 1: phi = -0.399850515396 TCL: Center of mass = 3.08889115972 0.318988443027 -1.20735011504 TCL: atom 1: phi = -0.398480542918 TCL: Center of mass = 3.09152655703 0.318824621709 -1.20752189449 TCL: atom 1: phi = -0.397559947373 TCL: Center of mass = 3.09415995607 0.318677505107 -1.207696121 TCL: atom 1: phi = -0.396507629539 TCL: Center of mass = 3.09679748564 0.318535664304 -1.20787026764 TCL: atom 1: phi = -0.395943502487 TCL: Center of mass = 3.09942703206 0.318393636707 -1.20803995663 TCL: atom 1: phi = -0.395157071961 TCL: Center of mass = 3.10206037809 0.318245362696 -1.20820417501 TCL: atom 1: phi = -0.394698727615 TCL: Center of mass = 3.10469742212 0.318093552756 -1.2083683794 TCL: atom 1: phi = -0.393846189347 TCL: Center of mass = 3.10734125227 0.317944105979 -1.20854689226 TCL: atom 1: phi = -0.393188661292 TCL: Center of mass = 3.109985487 0.317793306065 -1.20872217258 TCL: atom 1: phi = -0.392097763934 TCL: Center of mass = 3.11261327112 0.317631496126 -1.20889904903 TCL: atom 1: phi = -0.391422591785 TCL: Center of mass = 3.11523549013 0.317470338546 -1.20907304916 TCL: atom 1: phi = -0.390552011318 TCL: Center of mass = 3.1178500808 0.317305033861 -1.20924602941 TCL: atom 1: phi = -0.390250463289 TCL: Center of mass = 3.12046733659 0.317147653986 -1.20942373907 TCL: atom 1: phi = -0.389823477932 TCL: Center of mass = 3.12308334072 0.31698907203 -1.20960666114 TCL: atom 1: phi = -0.390059154435 TCL: Center of mass = 3.12570096239 0.316819032363 -1.20979199767 TCL: atom 1: phi = -0.390115108821 TCL: Center of mass = 3.12832658901 0.316664643724 -1.20997387099 TCL: atom 1: phi = -0.390717102208 TCL: Center of mass = 3.13094808163 0.316516703995 -1.21015915158 TCL: atom 1: phi = -0.390926837133 TCL: Center of mass = 3.13356617412 0.316382757494 -1.21034755713 TCL: atom 1: phi = -0.391508645801 TCL: Center of mass = 3.13618528669 0.316241375685 -1.21054404178 TCL: atom 1: phi = -0.39163501996 TCL: Center of mass = 3.13879535341 0.316100625172 -1.21073430724 TCL: atom 1: phi = -0.392123422809 TCL: Center of mass = 3.14140388405 0.315963740158 -1.21092159389 TCL: atom 1: phi = -0.392226941906 TCL: Center of mass = 3.14401320645 0.315827968286 -1.21110130993 TCL: atom 1: phi = -0.392756162974 TCL: Center of mass = 3.14662140511 0.315694722613 -1.21128139219 TCL: atom 1: phi = -0.392957630262 TCL: Center of mass = 3.14923317476 0.315559395559 -1.21146452661 TCL: atom 1: phi = -0.393622461961 TCL: Center of mass = 3.1518525215 0.315416897641 -1.21165256127 TCL: atom 1: phi = -0.393953026458 TCL: Center of mass = 3.15448023713 0.315273725126 -1.21184050704 TCL: atom 1: phi = -0.394625122802 TCL: Center of mass = 3.15710797632 0.315145661716 -1.21201656521 TCL: atom 1: phi = -0.394811374388 TCL: Center of mass = 3.15972905656 0.31501918409 -1.21219249368 TCL: atom 1: phi = -0.395241994831 TCL: Center of mass = 3.1623565669 0.314887623752 -1.21236949875 TCL: atom 1: phi = -0.395166065623 TCL: Center of mass = 3.1649891571 0.314746572832 -1.21253943995 TCL: atom 1: phi = -0.39543800557 TCL: Center of mass = 3.16760860635 0.314596345509 -1.21270265693 TCL: atom 1: phi = -0.395413441889 TCL: Center of mass = 3.17022625566 0.314443212382 -1.21286710716 TCL: atom 1: phi = -0.395976258281 TCL: Center of mass = 3.17284828852 0.314293185706 -1.21303324016 TCL: atom 1: phi = -0.396388131273 TCL: Center of mass = 3.17546057761 0.314150686946 -1.21320173425 TCL: atom 1: phi = -0.397451131222 TCL: Center of mass = 3.17808039771 0.314014969564 -1.2133729963 TCL: atom 1: phi = -0.398361044596 TCL: Center of mass = 3.18071233316 0.313884167206 -1.21355516259 TCL: atom 1: phi = -0.399817569437 TCL: Center of mass = 3.18335010524 0.313747201811 -1.21373610625 TCL: atom 1: phi = -0.401026051439 TIMING: 2100 CPU: 354.91, 0.169914/step Wall: 433.997, 0.208207/step, 1.03525 hours remaining, 20282 kB of memory in use. ENERGY: 2100 424.0427 698.8422 417.2168 39.7936 -2800.4346 -212.4435 0.0000 0.0000 1103.3178 -329.6650 300.6850 -320.1925 -321.4103 307.2592 262.6239 -148.1007 64000.0000 274.1602 276.4380 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100 WRITING COORDINATES TO DCD FILE AT STEP 2100 WRITING COORDINATES TO RESTART FILE AT STEP 2100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 3.18597556804 0.313612547124 -1.21391462775 TCL: atom 1: phi = -0.402589357474 TCL: Center of mass = 3.18860322148 0.313475241414 -1.21409234523 TCL: atom 1: phi = -0.403782644881 TCL: Center of mass = 3.19124428734 0.313340011626 -1.214263575 TCL: atom 1: phi = -0.405181485728 TCL: Center of mass = 3.19387785008 0.313219990286 -1.21443571115 TCL: atom 1: phi = -0.406178410184 TCL: Center of mass = 3.19650843057 0.313099311753 -1.21461930231 TCL: atom 1: phi = -0.407371503243 TCL: Center of mass = 3.19914457178 0.312974673935 -1.21479613084 TCL: atom 1: phi = -0.408212329341 TCL: Center of mass = 3.20178112546 0.312863544641 -1.21498064654 TCL: atom 1: phi = -0.409264664164 TCL: Center of mass = 3.20442444005 0.312754453015 -1.21516915014 TCL: atom 1: phi = -0.409949603764 TCL: Center of mass = 3.20706869598 0.312654981494 -1.21535164647 TCL: atom 1: phi = -0.410779528412 TCL: Center of mass = 3.20971412847 0.312555703502 -1.21553597562 TCL: atom 1: phi = -0.411084002825 TCL: Center of mass = 3.21235538464 0.312442887926 -1.21571583934 TCL: atom 1: phi = -0.411375958031 TCL: Center of mass = 3.21499599194 0.312340951681 -1.21590772742 TCL: atom 1: phi = -0.411094587436 TCL: Center of mass = 3.21763976489 0.312236120013 -1.21609966541 TCL: atom 1: phi = -0.410817588707 TCL: Center of mass = 3.22028382162 0.312124283815 -1.21630076718 TCL: atom 1: phi = -0.41007871766 TCL: Center of mass = 3.2229298446 0.312015695437 -1.2165004201 TCL: atom 1: phi = -0.409462058131 TCL: Center of mass = 3.22557820287 0.311912869779 -1.21669599212 TCL: atom 1: phi = -0.408603670874 TCL: Center of mass = 3.22822272044 0.311816101929 -1.21690172335 TCL: atom 1: phi = -0.408099665173 TCL: Center of mass = 3.23087185915 0.311722248393 -1.21710253247 TCL: atom 1: phi = -0.407370696605 TCL: Center of mass = 3.23353146216 0.311642201672 -1.21730556193 TCL: atom 1: phi = -0.406998489488 TCL: Center of mass = 3.23618647929 0.311571241375 -1.21751058088 TCL: atom 1: phi = -0.406336479805 TCL: Center of mass = 3.23884463004 0.311495056764 -1.21771327689 TCL: atom 1: phi = -0.405831017802 TCL: Center of mass = 3.24149983817 0.311419468427 -1.2179141818 TCL: atom 1: phi = -0.404947300758 TCL: Center of mass = 3.24416125819 0.311349548369 -1.21809994993 TCL: atom 1: phi = -0.404243333662 TCL: Center of mass = 3.24682243529 0.311278658628 -1.21828894665 TCL: atom 1: phi = -0.403232487721 TCL: Center of mass = 3.24948843003 0.311215339375 -1.21847210088 TCL: atom 1: phi = -0.402535573991 TCL: Center of mass = 3.25215673984 0.311149399242 -1.21864915775 TCL: atom 1: phi = -0.401599924289 TCL: Center of mass = 3.25482200874 0.311079514396 -1.21881581735 TCL: atom 1: phi = -0.401035270904 TCL: Center of mass = 3.25748673517 0.311009491921 -1.21897587035 TCL: atom 1: phi = -0.400270802895 TCL: Center of mass = 3.26014801347 0.310934638737 -1.21914165761 TCL: atom 1: phi = -0.399829241667 TCL: Center of mass = 3.26281797151 0.310861698985 -1.21930125068 TCL: atom 1: phi = -0.399085148457 TCL: Center of mass = 3.26547964443 0.310779546278 -1.21945729112 TCL: atom 1: phi = -0.398601929027 TCL: Center of mass = 3.26814917263 0.310700755655 -1.21960691388 TCL: atom 1: phi = -0.397770598814 TCL: Center of mass = 3.27082059195 0.310626532005 -1.2197523642 TCL: atom 1: phi = -0.397164333936 TCL: Center of mass = 3.27349295446 0.310556420182 -1.21990325458 TCL: atom 1: phi = -0.396246989624 TCL: Center of mass = 3.27616942588 0.310478873695 -1.22005146146 TCL: atom 1: phi = -0.395638257983 TCL: Center of mass = 3.2788437724 0.310405722741 -1.22019588308 TCL: atom 1: phi = -0.394776466181 TCL: Center of mass = 3.28152068581 0.310325096634 -1.22033203865 TCL: atom 1: phi = -0.394403719919 TCL: Center of mass = 3.28420093523 0.310244413541 -1.22047084497 TCL: atom 1: phi = -0.39392109518 TCL: Center of mass = 3.28687428623 0.310165688846 -1.22061973356 TCL: atom 1: phi = -0.394001521589 TCL: Center of mass = 3.28954678955 0.310090499444 -1.22075683568 TCL: atom 1: phi = -0.393930199255 TCL: Center of mass = 3.29222335404 0.310007559016 -1.22088968603 TCL: atom 1: phi = -0.394275373256 TCL: Center of mass = 3.29490857615 0.309921934606 -1.22102799168 TCL: atom 1: phi = -0.394334051288 TCL: Center of mass = 3.29759633865 0.309840032594 -1.22116937135 TCL: atom 1: phi = -0.39469562011 TCL: Center of mass = 3.30027636848 0.309752751705 -1.22130992814 TCL: atom 1: phi = -0.394763760725 TCL: Center of mass = 3.30294575797 0.309654817284 -1.22145925629 TCL: atom 1: phi = -0.395163119175 TCL: Center of mass = 3.30561106674 0.309561977459 -1.22161967708 TCL: atom 1: phi = -0.395293828193 TCL: Center of mass = 3.30828545227 0.309467061315 -1.22177084937 TCL: atom 1: phi = -0.395826436934 TCL: Center of mass = 3.31095671256 0.309376272854 -1.22192527008 TCL: atom 1: phi = -0.396171736282 TCL: Center of mass = 3.31362672918 0.309269868607 -1.22208524231 TCL: atom 1: phi = -0.396895637282 TCL: Center of mass = 3.31629050937 0.309164291988 -1.22224120823 TCL: atom 1: phi = -0.397479173697 TCL: Center of mass = 3.31895980462 0.30905521979 -1.22239209024 TCL: atom 1: phi = -0.398346221146 TCL: Center of mass = 3.32162718447 0.30893182315 -1.22256125908 TCL: atom 1: phi = -0.398827165841 TCL: Center of mass = 3.32430633676 0.308802673723 -1.22273413525 TCL: atom 1: phi = -0.399396796811 TCL: Center of mass = 3.32699222756 0.308676413309 -1.22290470015 TCL: atom 1: phi = -0.399496097676 TCL: Center of mass = 3.3296841484 0.308547497363 -1.22307046939 TCL: atom 1: phi = -0.399737886885 TCL: Center of mass = 3.33236539682 0.308408886531 -1.22323602575 TCL: atom 1: phi = -0.399541247997 TCL: Center of mass = 3.33505161678 0.308272917681 -1.2234095463 TCL: atom 1: phi = -0.399542899196 TCL: Center of mass = 3.3377465995 0.308147195445 -1.22358362668 TCL: atom 1: phi = -0.399277795893 TCL: Center of mass = 3.34045572246 0.308027283657 -1.2237553897 TCL: atom 1: phi = -0.399252931801 TCL: Center of mass = 3.34317556164 0.30791176506 -1.2239240473 TCL: atom 1: phi = -0.398938941243 TCL: Center of mass = 3.3458919163 0.307780811449 -1.22409519491 TCL: atom 1: phi = -0.398861315732 TCL: Center of mass = 3.34861598721 0.3076537818 -1.22426515569 TCL: atom 1: phi = -0.398382404829 TCL: Center of mass = 3.35131925919 0.307526498389 -1.22442514304 TCL: atom 1: phi = -0.398008354824 TCL: Center of mass = 3.35402494591 0.30739270225 -1.22458269199 TCL: atom 1: phi = -0.397219664261 TCL: Center of mass = 3.35673761644 0.307259870598 -1.22473788309 TCL: atom 1: phi = -0.396572268336 TCL: Center of mass = 3.35944989442 0.307126092432 -1.22489401444 TCL: atom 1: phi = -0.395580055079 TCL: Center of mass = 3.36215972692 0.306981146841 -1.22505006561 TCL: atom 1: phi = -0.394885977495 TCL: Center of mass = 3.36487508903 0.306845197446 -1.22520592103 TCL: atom 1: phi = -0.39402761436 TCL: Center of mass = 3.36758630231 0.306728078589 -1.22535294689 TCL: atom 1: phi = -0.393575400481 TCL: Center of mass = 3.37030526735 0.306620822119 -1.22548962007 TCL: atom 1: phi = -0.393028841108 TCL: Center of mass = 3.37301850537 0.306523950047 -1.22563147849 TCL: atom 1: phi = -0.392924771677 TCL: Center of mass = 3.37572187828 0.306424921551 -1.22577143296 TCL: atom 1: phi = -0.39264726794 TCL: Center of mass = 3.37841866687 0.306327576806 -1.22590551466 TCL: atom 1: phi = -0.392667411342 TCL: Center of mass = 3.38111180421 0.306247110605 -1.22605381046 TCL: atom 1: phi = -0.392393946956 TCL: Center of mass = 3.38380870246 0.306177446513 -1.22620476107 TCL: atom 1: phi = -0.392313941513 TCL: Center of mass = 3.38650819231 0.306114612384 -1.22634562991 TCL: atom 1: phi = -0.391969161031 TCL: Center of mass = 3.38920728788 0.306055003937 -1.22648374322 TCL: atom 1: phi = -0.391900845024 TCL: Center of mass = 3.39191004465 0.305997328184 -1.22661695084 TCL: atom 1: phi = -0.391708568471 TCL: Center of mass = 3.39461837595 0.305941245534 -1.22675431164 TCL: atom 1: phi = -0.391836554466 TCL: Center of mass = 3.39732288854 0.305885798363 -1.22689313035 TCL: atom 1: phi = -0.391840527259 TCL: Center of mass = 3.4000311361 0.305818819996 -1.22702788816 TCL: atom 1: phi = -0.392102479597 TCL: Center of mass = 3.40275934316 0.305749620617 -1.22716658345 TCL: atom 1: phi = -0.392039839082 TCL: Center of mass = 3.405488606 0.305677582347 -1.22731282361 TCL: atom 1: phi = -0.392010058687 TCL: Center of mass = 3.40822522299 0.305616280996 -1.22745662901 TCL: atom 1: phi = -0.391520791053 TCL: Center of mass = 3.41096707779 0.305546098251 -1.22760244284 TCL: atom 1: phi = -0.391022646037 TCL: Center of mass = 3.41371352014 0.305484615822 -1.22773526535 TCL: atom 1: phi = -0.390131365784 TCL: Center of mass = 3.41644886937 0.305422690242 -1.22786787286 TCL: atom 1: phi = -0.389315648587 TCL: Center of mass = 3.41917912697 0.305352950248 -1.22800481173 TCL: atom 1: phi = -0.388219643199 TCL: Center of mass = 3.42191265086 0.305285483665 -1.22814656628 TCL: atom 1: phi = -0.387356089404 TCL: Center of mass = 3.4246527332 0.305219735194 -1.22828180957 TCL: atom 1: phi = -0.386214501767 TCL: Center of mass = 3.42737186756 0.305145615932 -1.22842164874 TCL: atom 1: phi = -0.385352632087 TCL: Center of mass = 3.43009157166 0.305076552417 -1.22855899444 TCL: atom 1: phi = -0.384155576809 TCL: Center of mass = 3.43281814926 0.305016448098 -1.22869686884 TCL: atom 1: phi = -0.383147904187 TCL: Center of mass = 3.4355488272 0.304953142749 -1.22884713896 TCL: atom 1: phi = -0.381793186796 TCL: Center of mass = 3.43827932787 0.304896439661 -1.22900591484 TCL: atom 1: phi = -0.380615708355 TCL: Center of mass = 3.4410147472 0.30485427909 -1.22916796854 TCL: atom 1: phi = -0.379155536963 TCL: Center of mass = 3.44374770507 0.304820349663 -1.22933122918 TCL: atom 1: phi = -0.378083332161 TCL: Center of mass = 3.44647467861 0.304784460995 -1.22950664472 TCL: atom 1: phi = -0.376845413954 TCL: Center of mass = 3.44920414385 0.304743947481 -1.2296842938 TCL: atom 1: phi = -0.376248429644 TCL: Center of mass = 3.45193210208 0.304700234879 -1.22985342025 TCL: atom 1: phi = -0.375684724976 TIMING: 2200 CPU: 371.922, 0.170124/step Wall: 454.831, 0.208339/step, 1.03012 hours remaining, 20286 kB of memory in use. ENERGY: 2200 399.3934 682.7724 419.1016 42.2870 -2806.9876 -206.5646 0.0000 0.0000 1156.9116 -313.0862 315.2908 -304.2608 -303.5883 305.1498 476.4862 219.3388 64000.0000 -11.2607 -1.7699 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 = 3.4546598854 0.304660393577 -1.23001262763 TCL: atom 1: phi = -0.375776177615 TCL: Center of mass = 3.4573892594 0.304620607787 -1.23017635341 TCL: atom 1: phi = -0.375827870629 TCL: Center of mass = 3.46011126814 0.30457812666 -1.23033364147 TCL: atom 1: phi = -0.37640493395 TCL: Center of mass = 3.46282898481 0.304527689704 -1.23048891554 TCL: atom 1: phi = -0.37675740782 TCL: Center of mass = 3.46554362472 0.304481190394 -1.23065025152 TCL: atom 1: phi = -0.37746268152 TCL: Center of mass = 3.46827173047 0.304426961824 -1.23080708242 TCL: atom 1: phi = -0.377906229057 TCL: Center of mass = 3.47098875563 0.304371658038 -1.23095523103 TCL: atom 1: phi = -0.378723049626 TCL: Center of mass = 3.47369715276 0.304314096581 -1.23110599762 TCL: atom 1: phi = -0.37936888713 TCL: Center of mass = 3.47640781444 0.304267406075 -1.2312502897 TCL: atom 1: phi = -0.380422418022 TCL: Center of mass = 3.4791103136 0.304221697761 -1.23139397311 TCL: atom 1: phi = -0.381385325155 TCL: Center of mass = 3.48182403709 0.304173135361 -1.23153396769 TCL: atom 1: phi = -0.382691844831 TCL: Center of mass = 3.48454095643 0.304123227555 -1.23166884316 TCL: atom 1: phi = -0.383838764571 TCL: Center of mass = 3.48724512374 0.304073629803 -1.23179428315 TCL: atom 1: phi = -0.385213621498 TCL: Center of mass = 3.48994159256 0.304038939675 -1.23191399275 TCL: atom 1: phi = -0.386338910883 TCL: Center of mass = 3.49263394065 0.303997682026 -1.23202911243 TCL: atom 1: phi = -0.387519265558 TCL: Center of mass = 3.49532029625 0.303964531088 -1.23214414957 TCL: atom 1: phi = -0.388284981789 TCL: Center of mass = 3.49801245025 0.303934637634 -1.23226142473 TCL: atom 1: phi = -0.389180847205 TCL: Center of mass = 3.50070888196 0.303894285443 -1.23238663549 TCL: atom 1: phi = -0.389870725795 TCL: Center of mass = 3.50341327553 0.303847922686 -1.23251201592 TCL: atom 1: phi = -0.390750841006 TCL: Center of mass = 3.50611502465 0.303796762645 -1.23263348964 TCL: atom 1: phi = -0.391531091508 TCL: Center of mass = 3.50882525499 0.303761681688 -1.23274976314 TCL: atom 1: phi = -0.39258532613 TCL: Center of mass = 3.5115291047 0.303715470308 -1.23285544546 TCL: atom 1: phi = -0.393569096922 TCL: Center of mass = 3.51423310803 0.303678422992 -1.23296971912 TCL: atom 1: phi = -0.394722105544 TCL: Center of mass = 3.51693061456 0.303642923256 -1.23309953278 TCL: atom 1: phi = -0.395670263021 TCL: Center of mass = 3.51962754466 0.303606813118 -1.23323297934 TCL: atom 1: phi = -0.396593868529 TCL: Center of mass = 3.52231433125 0.303570874395 -1.23337220037 TCL: atom 1: phi = -0.397176952213 TCL: Center of mass = 3.52500300099 0.303537939148 -1.23351530318 TCL: atom 1: phi = -0.397707754933 TCL: Center of mass = 3.52768051601 0.303506235614 -1.23366070652 TCL: atom 1: phi = -0.398000122972 TCL: Center of mass = 3.53036020014 0.303480404026 -1.23380135991 TCL: atom 1: phi = -0.398326203924 TCL: Center of mass = 3.53304945303 0.303443905172 -1.23394209832 TCL: atom 1: phi = -0.398493257367 TCL: Center of mass = 3.53572672654 0.303412809004 -1.23408471863 TCL: atom 1: phi = -0.398823447442 TCL: Center of mass = 3.53841558879 0.303389703559 -1.23423531345 TCL: atom 1: phi = -0.398970722394 TCL: Center of mass = 3.54110538543 0.303385054557 -1.23439525749 TCL: atom 1: phi = -0.399159723026 TCL: Center of mass = 3.54379515737 0.303388033828 -1.23455335662 TCL: atom 1: phi = -0.399037823344 TCL: Center of mass = 3.54650092448 0.303399029098 -1.23471189045 TCL: atom 1: phi = -0.398806930545 TCL: Center of mass = 3.54920554521 0.303413760427 -1.23487028879 TCL: atom 1: phi = -0.398277736376 TCL: Center of mass = 3.55191371873 0.303418821339 -1.23502793596 TCL: atom 1: phi = -0.397673478584 TCL: Center of mass = 3.55461672552 0.303420815102 -1.23517246066 TCL: atom 1: phi = -0.396787712331 TCL: Center of mass = 3.5573234091 0.303413102306 -1.23532704309 TCL: atom 1: phi = -0.395980924203 TCL: Center of mass = 3.56003526428 0.303417332752 -1.23548979863 TCL: atom 1: phi = -0.395082663186 TCL: Center of mass = 3.56274932878 0.303415384607 -1.23564593455 TCL: atom 1: phi = -0.394397595534 TCL: Center of mass = 3.56546081368 0.303406291882 -1.23580195914 TCL: atom 1: phi = -0.39370851941 TCL: Center of mass = 3.56816677669 0.303391289843 -1.23596195349 TCL: atom 1: phi = -0.393326768635 TCL: Center of mass = 3.57087057506 0.303390486418 -1.23613004387 TCL: atom 1: phi = -0.39289084425 TCL: Center of mass = 3.5735695325 0.303389443169 -1.23629620249 TCL: atom 1: phi = -0.392663871111 TCL: Center of mass = 3.57627047728 0.303391846538 -1.23646648206 TCL: atom 1: phi = -0.392260493702 TCL: Center of mass = 3.57897079325 0.303392880426 -1.23661825189 TCL: atom 1: phi = -0.392031854851 TCL: Center of mass = 3.58166783257 0.303391030691 -1.23677671467 TCL: atom 1: phi = -0.391623779992 TCL: Center of mass = 3.58435926154 0.303388029424 -1.23693527901 TCL: atom 1: phi = -0.391439785227 TCL: Center of mass = 3.587045773 0.303384990471 -1.23709388362 TCL: atom 1: phi = -0.391247436518 TCL: Center of mass = 3.58973716705 0.303382400788 -1.23723756577 TCL: atom 1: phi = -0.391438159977 TCL: Center of mass = 3.59243455408 0.30337147063 -1.23737299083 TCL: atom 1: phi = -0.39160603108 TCL: Center of mass = 3.59513821319 0.303342372217 -1.23751165773 TCL: atom 1: phi = -0.392136816506 TCL: Center of mass = 3.59783988925 0.303301136676 -1.2376482633 TCL: atom 1: phi = -0.392485436743 TCL: Center of mass = 3.60053415265 0.303251310802 -1.23778388573 TCL: atom 1: phi = -0.392903687939 TCL: Center of mass = 3.60322505308 0.303194754714 -1.23792227238 TCL: atom 1: phi = -0.392927328819 TCL: Center of mass = 3.60591058778 0.303141574256 -1.23805935559 TCL: atom 1: phi = -0.392953866981 TCL: Center of mass = 3.60859768615 0.30310009485 -1.23819897151 TCL: atom 1: phi = -0.392597547241 TCL: Center of mass = 3.61128865284 0.303056900419 -1.23833889644 TCL: atom 1: phi = -0.392406301983 TCL: Center of mass = 3.61398048669 0.303022531207 -1.23847743458 TCL: atom 1: phi = -0.392013442607 TCL: Center of mass = 3.61668163493 0.302995289288 -1.23861084778 TCL: atom 1: phi = -0.391968677173 TCL: Center of mass = 3.61938670567 0.302968615051 -1.23873545722 TCL: atom 1: phi = -0.391774684662 TCL: Center of mass = 3.62209228152 0.302955121559 -1.23886128667 TCL: atom 1: phi = -0.391858488826 TCL: Center of mass = 3.62479710042 0.302949124221 -1.23899690733 TCL: atom 1: phi = -0.391641070754 TCL: Center of mass = 3.62751490618 0.30293442487 -1.23914011528 TCL: atom 1: phi = -0.391644362317 TCL: Center of mass = 3.63023035667 0.302918195279 -1.23927727249 TCL: atom 1: phi = -0.391306867914 TCL: Center of mass = 3.63294053191 0.302893880822 -1.2394138096 TCL: atom 1: phi = -0.391106015771 TCL: Center of mass = 3.63565938735 0.302864826893 -1.23956472666 TCL: atom 1: phi = -0.390574316925 TCL: Center of mass = 3.63837073021 0.302838368351 -1.23970544275 TCL: atom 1: phi = -0.390356216499 TCL: Center of mass = 3.64109347426 0.302819774006 -1.23984705028 TCL: atom 1: phi = -0.389917943388 TCL: Center of mass = 3.64380927418 0.302802117384 -1.23997732515 TCL: atom 1: phi = -0.389953505356 TCL: Center of mass = 3.64652479921 0.302783059146 -1.24010752771 TCL: atom 1: phi = -0.389930775018 TCL: Center of mass = 3.64923754775 0.302765055555 -1.24023946549 TCL: atom 1: phi = -0.390438826279 TCL: Center of mass = 3.65195420453 0.302746289661 -1.24037347708 TCL: atom 1: phi = -0.390894204412 TCL: Center of mass = 3.654680055 0.30273072844 -1.2405016606 TCL: atom 1: phi = -0.391730919956 TCL: Center of mass = 3.65741179523 0.302725481165 -1.24062364497 TCL: atom 1: phi = -0.392327914806 TCL: Center of mass = 3.66013903216 0.30270995129 -1.24073894612 TCL: atom 1: phi = -0.393194184264 TCL: Center of mass = 3.66285652454 0.302680000773 -1.24086948415 TCL: atom 1: phi = -0.393696197975 TCL: Center of mass = 3.66557370354 0.302645909165 -1.2410075108 TCL: atom 1: phi = -0.394403322381 TCL: Center of mass = 3.66828990577 0.302621470415 -1.2411407469 TCL: atom 1: phi = -0.39479070869 TCL: Center of mass = 3.67101298903 0.302606586424 -1.24127876031 TCL: atom 1: phi = -0.395503779322 TCL: Center of mass = 3.67373395888 0.30259034342 -1.24141212863 TCL: atom 1: phi = -0.396081177729 TCL: Center of mass = 3.67644913445 0.302572389979 -1.24154366567 TCL: atom 1: phi = -0.396981514047 TCL: Center of mass = 3.67917024513 0.302573520331 -1.24168300925 TCL: atom 1: phi = -0.397593636505 TCL: Center of mass = 3.68190294602 0.302578322596 -1.24181621441 TCL: atom 1: phi = -0.398583538317 TCL: Center of mass = 3.68461531487 0.302595078213 -1.2419493619 TCL: atom 1: phi = -0.399217984311 TCL: Center of mass = 3.68733124665 0.302615051792 -1.24208245351 TCL: atom 1: phi = -0.399938790316 TCL: Center of mass = 3.69003524209 0.302639460421 -1.24220882911 TCL: atom 1: phi = -0.400289273909 TCL: Center of mass = 3.69274598056 0.302663743474 -1.24234640174 TCL: atom 1: phi = -0.400801943978 TCL: Center of mass = 3.69544402201 0.302678996036 -1.24248019543 TCL: atom 1: phi = -0.400977105676 TCL: Center of mass = 3.69813503882 0.3026968936 -1.24262032081 TCL: atom 1: phi = -0.401436285809 TCL: Center of mass = 3.70082741974 0.302719055453 -1.24275492891 TCL: atom 1: phi = -0.401698326475 TCL: Center of mass = 3.70350861659 0.302739158962 -1.24288825826 TCL: atom 1: phi = -0.402349236733 TCL: Center of mass = 3.70619568686 0.302765889279 -1.24301447155 TCL: atom 1: phi = -0.402741327931 TCL: Center of mass = 3.70887888626 0.302779083189 -1.24313392338 TCL: atom 1: phi = -0.403396062128 TCL: Center of mass = 3.71156371764 0.302777438124 -1.24325146675 TCL: atom 1: phi = -0.403545950783 TCL: Center of mass = 3.7142520981 0.302772277923 -1.24336313905 TCL: atom 1: phi = -0.40383021232 TCL: Center of mass = 3.71694933064 0.302764408743 -1.24346651277 TCL: atom 1: phi = -0.403641602867 TCL: Center of mass = 3.71964376703 0.302774554959 -1.24357882649 TCL: atom 1: phi = -0.403655445801 TCL: Center of mass = 3.72232843291 0.302782550449 -1.24369224244 TCL: atom 1: phi = -0.403232386932 TIMING: 2300 CPU: 388.921, 0.169984/step Wall: 475.647, 0.208152/step, 1.02341 hours remaining, 20286 kB of memory in use. ENERGY: 2300 417.6777 696.4258 408.7829 39.4020 -2762.8855 -231.9323 0.0000 0.0000 1130.7503 -301.7792 308.1611 -292.3962 -294.0238 308.8461 344.0796 259.4579 64000.0000 81.9958 85.4086 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300 WRITING COORDINATES TO DCD FILE AT STEP 2300 WRITING COORDINATES TO RESTART FILE AT STEP 2300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 3.7250177748 0.302790581548 -1.24380468972 TCL: atom 1: phi = -0.403131068372 TCL: Center of mass = 3.72770162252 0.302785431752 -1.24390360352 TCL: atom 1: phi = -0.402730360581 TCL: Center of mass = 3.73038742264 0.302781104925 -1.24399718558 TCL: atom 1: phi = -0.402798944288 TCL: Center of mass = 3.73307302781 0.302765221703 -1.24408510581 TCL: atom 1: phi = -0.402662639402 TCL: Center of mass = 3.73577929687 0.302757166489 -1.24416402763 TCL: atom 1: phi = -0.402997023974 TCL: Center of mass = 3.73848372239 0.302745256231 -1.24424649396 TCL: atom 1: phi = -0.403044198428 TCL: Center of mass = 3.74118844203 0.302728216216 -1.2443301344 TCL: atom 1: phi = -0.40347253514 TCL: Center of mass = 3.74388830616 0.302702704901 -1.24440962879 TCL: atom 1: phi = -0.40347962081 TCL: Center of mass = 3.74658595274 0.302672084156 -1.24449370854 TCL: atom 1: phi = -0.403854067523 TCL: Center of mass = 3.74927923459 0.302641623966 -1.24456739845 TCL: atom 1: phi = -0.403873403577 TCL: Center of mass = 3.7519747996 0.30262057405 -1.24463168336 TCL: atom 1: phi = -0.404341942698 TCL: Center of mass = 3.7546624427 0.302591260965 -1.24469553367 TCL: atom 1: phi = -0.404610554031 TCL: Center of mass = 3.75735008004 0.302570789267 -1.24476042454 TCL: atom 1: phi = -0.405429649881 TCL: Center of mass = 3.76003851485 0.302546557781 -1.24482241017 TCL: atom 1: phi = -0.406052935262 TCL: Center of mass = 3.76273287676 0.302522062057 -1.24489498239 TCL: atom 1: phi = -0.407180951953 TCL: Center of mass = 3.76543100642 0.302497548544 -1.24497396415 TCL: atom 1: phi = -0.407939959987 TCL: Center of mass = 3.76812557979 0.30246721637 -1.24505768011 TCL: atom 1: phi = -0.40896764834 TCL: Center of mass = 3.77080508823 0.302444764864 -1.24514730592 TCL: atom 1: phi = -0.409586494358 TCL: Center of mass = 3.77348459675 0.302423165903 -1.24524095288 TCL: atom 1: phi = -0.410357022723 TCL: Center of mass = 3.77616553064 0.302400459976 -1.24534009981 TCL: atom 1: phi = -0.410711831277 TCL: Center of mass = 3.77884242867 0.302378948206 -1.24544029291 TCL: atom 1: phi = -0.411387314236 TCL: Center of mass = 3.78151811609 0.302353726596 -1.2455359663 TCL: atom 1: phi = -0.41183347948 TCL: Center of mass = 3.78419386571 0.302336670131 -1.24563413514 TCL: atom 1: phi = -0.412648583694 TCL: Center of mass = 3.78686936313 0.302327685919 -1.24573204138 TCL: atom 1: phi = -0.413237940233 TCL: Center of mass = 3.78954227725 0.302322400042 -1.2458274266 TCL: atom 1: phi = -0.414208651958 TCL: Center of mass = 3.79221007481 0.302307600982 -1.24590983833 TCL: atom 1: phi = -0.414907528353 TCL: Center of mass = 3.79488646035 0.302282314169 -1.24599522863 TCL: atom 1: phi = -0.41575881329 TCL: Center of mass = 3.79757166457 0.302252458785 -1.24609303618 TCL: atom 1: phi = -0.416257900869 TCL: Center of mass = 3.80025063156 0.302223844873 -1.24619271245 TCL: atom 1: phi = -0.416911548807 TCL: Center of mass = 3.80292429135 0.302184662267 -1.2462908218 TCL: atom 1: phi = -0.417234034765 TCL: Center of mass = 3.80561593958 0.302147022929 -1.24639057322 TCL: atom 1: phi = -0.417754432004 TCL: Center of mass = 3.80830204644 0.302116924642 -1.24648722319 TCL: atom 1: phi = -0.418069721456 TCL: Center of mass = 3.81099196529 0.302082124035 -1.24658003401 TCL: atom 1: phi = -0.418755079297 TCL: Center of mass = 3.81366656388 0.302036570779 -1.2466652047 TCL: atom 1: phi = -0.419244246913 TCL: Center of mass = 3.81633248706 0.301993784164 -1.24674220875 TCL: atom 1: phi = -0.420038718015 TCL: Center of mass = 3.81899592855 0.301941848548 -1.24682475621 TCL: atom 1: phi = -0.420517770416 TCL: Center of mass = 3.8216593359 0.301901387345 -1.24690500717 TCL: atom 1: phi = -0.421144322759 TCL: Center of mass = 3.82433132786 0.30186939443 -1.24698444453 TCL: atom 1: phi = -0.421345456423 TCL: Center of mass = 3.82701508093 0.301842148793 -1.24706462964 TCL: atom 1: phi = -0.421642536921 TCL: Center of mass = 3.82970740204 0.301807644605 -1.24714634855 TCL: atom 1: phi = -0.42154335517 TCL: Center of mass = 3.83240475144 0.301771839209 -1.24723635791 TCL: atom 1: phi = -0.421615244581 TCL: Center of mass = 3.83509549621 0.30172987224 -1.2473254614 TCL: atom 1: phi = -0.421480334375 TCL: Center of mass = 3.83778434308 0.301684586818 -1.24740668509 TCL: atom 1: phi = -0.421730381367 TCL: Center of mass = 3.84047068405 0.301640109973 -1.24748775355 TCL: atom 1: phi = -0.421977187776 TCL: Center of mass = 3.84315970445 0.301591297322 -1.24756950724 TCL: atom 1: phi = -0.422691277148 TCL: Center of mass = 3.84584857462 0.301534827178 -1.24767291168 TCL: atom 1: phi = -0.423434274825 TCL: Center of mass = 3.84853399824 0.301473729475 -1.24777826843 TCL: atom 1: phi = -0.424517360235 TCL: Center of mass = 3.85122943858 0.301416677455 -1.24788548991 TCL: atom 1: phi = -0.425480798297 TCL: Center of mass = 3.85392533382 0.301360956104 -1.24800316571 TCL: atom 1: phi = -0.426651723475 TCL: Center of mass = 3.85662926211 0.301291648775 -1.24811491948 TCL: atom 1: phi = -0.427617100123 TCL: Center of mass = 3.85932337787 0.301209419178 -1.24823510996 TCL: atom 1: phi = -0.428796688553 TCL: Center of mass = 3.86201541505 0.301132765804 -1.24835201867 TCL: atom 1: phi = -0.429783056205 TCL: Center of mass = 3.86470989455 0.301049437807 -1.24848029936 TCL: atom 1: phi = -0.430975049358 TCL: Center of mass = 3.86740463897 0.30096048065 -1.24861271605 TCL: atom 1: phi = -0.432005445161 TCL: Center of mass = 3.87009753612 0.300858831478 -1.24874310173 TCL: atom 1: phi = -0.433130797676 TCL: Center of mass = 3.87279751234 0.300748120598 -1.24887718779 TCL: atom 1: phi = -0.433989672975 TCL: Center of mass = 3.87550889274 0.30062497203 -1.24901300005 TCL: atom 1: phi = -0.4347914671 TCL: Center of mass = 3.87821824795 0.300497864816 -1.24914705268 TCL: atom 1: phi = -0.435127727456 TCL: Center of mass = 3.88092222392 0.300364651014 -1.24927941355 TCL: atom 1: phi = -0.435351603588 TCL: Center of mass = 3.88364284273 0.300234667383 -1.24940317287 TCL: atom 1: phi = -0.435101013656 TCL: Center of mass = 3.88637449053 0.300099527447 -1.2495292438 TCL: atom 1: phi = -0.434771256488 TCL: Center of mass = 3.88910668155 0.299964377885 -1.24966920889 TCL: atom 1: phi = -0.434028593252 TCL: Center of mass = 3.89184441892 0.299836542324 -1.24981190725 TCL: atom 1: phi = -0.433302106585 TCL: Center of mass = 3.89458940124 0.299711009736 -1.24994334934 TCL: atom 1: phi = -0.432297043258 TCL: Center of mass = 3.89733499509 0.299583966987 -1.25007812827 TCL: atom 1: phi = -0.43146536105 TCL: Center of mass = 3.90008801638 0.299444881447 -1.25021863749 TCL: atom 1: phi = -0.430400213047 TCL: Center of mass = 3.90283610509 0.299305259653 -1.2503615812 TCL: atom 1: phi = -0.429553159167 TCL: Center of mass = 3.90558810828 0.299163746698 -1.25049515042 TCL: atom 1: phi = -0.428445313498 TCL: Center of mass = 3.90834204055 0.299021187596 -1.25063027167 TCL: atom 1: phi = -0.427484735372 TCL: Center of mass = 3.91110052027 0.298888955402 -1.2507658294 TCL: atom 1: phi = -0.426218224516 TCL: Center of mass = 3.91384374469 0.298761008646 -1.250896668 TCL: atom 1: phi = -0.425190448943 TCL: Center of mass = 3.91658601614 0.298630906973 -1.25102112582 TCL: atom 1: phi = -0.423892863845 TCL: Center of mass = 3.91933528583 0.2985067049 -1.25114515591 TCL: atom 1: phi = -0.423091790973 TCL: Center of mass = 3.9220869654 0.298386824294 -1.25126643187 TCL: atom 1: phi = -0.42222667411 TCL: Center of mass = 3.92484642398 0.298255703491 -1.25138780145 TCL: atom 1: phi = -0.421956303338 TCL: Center of mass = 3.92761224653 0.298111744301 -1.25150729121 TCL: atom 1: phi = -0.421651915037 TCL: Center of mass = 3.93038929857 0.297964818825 -1.25163044276 TCL: atom 1: phi = -0.421961811782 TCL: Center of mass = 3.9331604518 0.29780804939 -1.25175768315 TCL: atom 1: phi = -0.422116968642 TCL: Center of mass = 3.93593417766 0.297636946038 -1.2518779941 TCL: atom 1: phi = -0.422763263911 TCL: Center of mass = 3.93871312133 0.297452841978 -1.25200211437 TCL: atom 1: phi = -0.4230776716 TCL: Center of mass = 3.94149566985 0.297275059916 -1.25212050481 TCL: atom 1: phi = -0.42376811965 TCL: Center of mass = 3.94427240261 0.29709549703 -1.25223371765 TCL: atom 1: phi = -0.424093866943 TCL: Center of mass = 3.9470536129 0.296913706868 -1.25236056074 TCL: atom 1: phi = -0.424824403825 TCL: Center of mass = 3.94982721324 0.296726836966 -1.2524805598 TCL: atom 1: phi = -0.425374325105 TCL: Center of mass = 3.95260089544 0.296539459315 -1.25260086089 TCL: atom 1: phi = -0.426406296756 TCL: Center of mass = 3.95537479339 0.296354568085 -1.25271254527 TCL: atom 1: phi = -0.427270361687 TCL: Center of mass = 3.9581527864 0.296172570295 -1.25282732851 TCL: atom 1: phi = -0.428551950134 TCL: Center of mass = 3.96092600562 0.295980160136 -1.25294080433 TCL: atom 1: phi = -0.429536668924 TCL: Center of mass = 3.96370227173 0.295789285372 -1.25306055431 TCL: atom 1: phi = -0.43078044821 TCL: Center of mass = 3.96647236397 0.295604634907 -1.25318228851 TCL: atom 1: phi = -0.431705254605 TCL: Center of mass = 3.96924072709 0.2954374193 -1.25329772177 TCL: atom 1: phi = -0.432885046106 TCL: Center of mass = 3.97200247242 0.295255679929 -1.25341093287 TCL: atom 1: phi = -0.433798550287 TCL: Center of mass = 3.97475586147 0.295075479556 -1.25351367109 TCL: atom 1: phi = -0.435010553345 TCL: Center of mass = 3.97750388498 0.294885841563 -1.25361114017 TCL: atom 1: phi = -0.436058505295 TCL: Center of mass = 3.98024831403 0.294704743398 -1.25370348149 TCL: atom 1: phi = -0.437430564291 TCL: Center of mass = 3.98299180245 0.294528755012 -1.2538031129 TCL: atom 1: phi = -0.438596858207 TCL: Center of mass = 3.9857238467 0.294371815383 -1.25390091356 TCL: atom 1: phi = -0.440011027582 TCL: Center of mass = 3.9884497537 0.294212809075 -1.25400559485 TCL: atom 1: phi = -0.441128098225 TCL: Center of mass = 3.99117353305 0.294054013035 -1.25410879529 TCL: atom 1: phi = -0.442307919479 TCL: Center of mass = 3.99390739095 0.293904857008 -1.25421647041 TCL: atom 1: phi = -0.443073085888 TIMING: 2400 CPU: 405.929, 0.170084/step Wall: 496.474, 0.208278/step, 1.01825 hours remaining, 20286 kB of memory in use. ENERGY: 2400 418.0792 670.5626 410.1919 36.2492 -2728.0569 -216.6164 0.0000 0.0000 1103.4154 -306.1750 300.7115 -297.3112 -297.3231 308.2101 -18.5743 -124.2106 64000.0000 158.9526 159.0750 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400 WRITING COORDINATES TO DCD FILE AT STEP 2400 WRITING COORDINATES TO RESTART FILE AT STEP 2400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 3.99662976816 0.293754700818 -1.25432864791 TCL: atom 1: phi = -0.443832641123 TCL: Center of mass = 3.99935329104 0.293602504937 -1.25445531849 TCL: atom 1: phi = -0.444225866154 TCL: Center of mass = 4.00207223846 0.293446450349 -1.2545756549 TCL: atom 1: phi = -0.444675102258 TCL: Center of mass = 4.00479633218 0.293279139481 -1.2546938239 TCL: atom 1: phi = -0.444870659699 TCL: Center of mass = 4.00752511147 0.293102681675 -1.25481011944 TCL: atom 1: phi = -0.445173031256 TCL: Center of mass = 4.01025053641 0.292925286158 -1.25492678084 TCL: atom 1: phi = -0.445251328605 TCL: Center of mass = 4.01298133796 0.292733128093 -1.25504921572 TCL: atom 1: phi = -0.445497815166 TCL: Center of mass = 4.01572619366 0.292532257816 -1.2551872882 TCL: atom 1: phi = -0.445509150685 TCL: Center of mass = 4.01846485901 0.292332565521 -1.25531825959 TCL: atom 1: phi = -0.445669607853 TCL: Center of mass = 4.02119729208 0.292126293484 -1.2554392536 TCL: atom 1: phi = -0.445568737211 TCL: Center of mass = 4.02393814109 0.291926726279 -1.25556680204 TCL: atom 1: phi = -0.445534664068 TCL: Center of mass = 4.02667504001 0.29171684205 -1.25570245317 TCL: atom 1: phi = -0.445193250833 TCL: Center of mass = 4.02941208319 0.291508109886 -1.25584071991 TCL: atom 1: phi = -0.44504145998 TCL: Center of mass = 4.03214854237 0.291295751061 -1.25598371954 TCL: atom 1: phi = -0.444771095606 TCL: Center of mass = 4.03487886784 0.291094419655 -1.25612383381 TCL: atom 1: phi = -0.444815165314 TCL: Center of mass = 4.03760173089 0.290893273355 -1.25626419572 TCL: atom 1: phi = -0.444796960685 TCL: Center of mass = 4.04031254975 0.290680128719 -1.25640914862 TCL: atom 1: phi = -0.445034092454 TCL: Center of mass = 4.04303403408 0.290462291762 -1.25653882669 TCL: atom 1: phi = -0.445165682678 TCL: Center of mass = 4.04574911653 0.290241368398 -1.25665791669 TCL: atom 1: phi = -0.445454065507 TCL: Center of mass = 4.04845862593 0.290026389715 -1.2567703495 TCL: atom 1: phi = -0.44547527093 TCL: Center of mass = 4.05116697019 0.289808522073 -1.25689149284 TCL: atom 1: phi = -0.445530909598 TCL: Center of mass = 4.05388093082 0.28958617808 -1.25701867351 TCL: atom 1: phi = -0.445313398806 TCL: Center of mass = 4.05659988714 0.289373643 -1.25714614441 TCL: atom 1: phi = -0.445223491117 TCL: Center of mass = 4.05932134945 0.289161432208 -1.25726971352 TCL: atom 1: phi = -0.444904986048 TCL: Center of mass = 4.06205109315 0.288939597513 -1.25738974366 TCL: atom 1: phi = -0.444761249325 TCL: Center of mass = 4.06477810384 0.288719889217 -1.25750947684 TCL: atom 1: phi = -0.444443536776 TCL: Center of mass = 4.06750640775 0.288497557559 -1.25762884031 TCL: atom 1: phi = -0.444332467877 TCL: Center of mass = 4.07024294444 0.288270431133 -1.25774737017 TCL: atom 1: phi = -0.443969296487 TCL: Center of mass = 4.07297048394 0.288045993076 -1.25786529001 TCL: atom 1: phi = -0.443704986363 TCL: Center of mass = 4.07569399864 0.287814370338 -1.25797466014 TCL: atom 1: phi = -0.44304335283 TCL: Center of mass = 4.0784196783 0.287582528681 -1.25808347796 TCL: atom 1: phi = -0.442449592661 TCL: Center of mass = 4.08113851749 0.287349741938 -1.25820126619 TCL: atom 1: phi = -0.441383578435 TCL: Center of mass = 4.08384974966 0.287111218227 -1.25831171807 TCL: atom 1: phi = -0.440429563859 TCL: Center of mass = 4.08656961715 0.286870776495 -1.25841475709 TCL: atom 1: phi = -0.439062944899 TCL: Center of mass = 4.08929792085 0.286627363286 -1.25851781334 TCL: atom 1: phi = -0.437933771298 TCL: Center of mass = 4.09203657598 0.286390929481 -1.2586141944 TCL: atom 1: phi = -0.436511172558 TCL: Center of mass = 4.09478681995 0.286161399331 -1.25871515946 TCL: atom 1: phi = -0.435424012677 TCL: Center of mass = 4.09752877896 0.285925907028 -1.25882016572 TCL: atom 1: phi = -0.434046349668 TCL: Center of mass = 4.10026994356 0.285692662716 -1.25892597648 TCL: atom 1: phi = -0.43307596389 TCL: Center of mass = 4.10301579345 0.285458693361 -1.25903635739 TCL: atom 1: phi = -0.431724137149 TCL: Center of mass = 4.10576789574 0.285228585879 -1.25914797187 TCL: atom 1: phi = -0.430765233196 TCL: Center of mass = 4.10851943536 0.284994360729 -1.25926901967 TCL: atom 1: phi = -0.429517716213 TCL: Center of mass = 4.11126828418 0.284766590767 -1.25938496845 TCL: atom 1: phi = -0.428782946019 TCL: Center of mass = 4.11402520329 0.284546249367 -1.2595151299 TCL: atom 1: phi = -0.42785117924 TCL: Center of mass = 4.11677464667 0.284312222174 -1.25964359169 TCL: atom 1: phi = -0.427721661595 TCL: Center of mass = 4.11951539773 0.284095192502 -1.25976535455 TCL: atom 1: phi = -0.427577398989 TCL: Center of mass = 4.12225725005 0.283885597107 -1.25989391616 TCL: atom 1: phi = -0.428167041144 TCL: Center of mass = 4.1250010824 0.283669513668 -1.26001620046 TCL: atom 1: phi = -0.428582393283 TCL: Center of mass = 4.12775239927 0.283458861931 -1.26013698988 TCL: atom 1: phi = -0.429668541343 TCL: Center of mass = 4.13050883267 0.283248930979 -1.260253542 TCL: atom 1: phi = -0.430525547437 TCL: Center of mass = 4.13326309181 0.283048449225 -1.26036750067 TCL: atom 1: phi = -0.431800735728 TCL: Center of mass = 4.13600237835 0.282854659758 -1.26047796223 TCL: atom 1: phi = -0.432747816736 TCL: Center of mass = 4.13874477524 0.282654530405 -1.26059483936 TCL: atom 1: phi = -0.433970122745 TCL: Center of mass = 4.14148397071 0.282445408336 -1.26072388056 TCL: atom 1: phi = -0.434870439761 TCL: Center of mass = 4.14421862851 0.282234463779 -1.26085665589 TCL: atom 1: phi = -0.436005117771 TCL: Center of mass = 4.146941455 0.28200919082 -1.26099100113 TCL: atom 1: phi = -0.436869399863 TCL: Center of mass = 4.14968117292 0.28178240896 -1.26112351107 TCL: atom 1: phi = -0.437960023202 TCL: Center of mass = 4.15242866813 0.281554491115 -1.26126397105 TCL: atom 1: phi = -0.438751175581 TCL: Center of mass = 4.15516855837 0.281336725178 -1.26141566579 TCL: atom 1: phi = -0.439675659646 TCL: Center of mass = 4.15790849746 0.281111032641 -1.26155631163 TCL: atom 1: phi = -0.440250308748 TCL: Center of mass = 4.1606590313 0.280885942756 -1.26169585165 TCL: atom 1: phi = -0.440802214304 TCL: Center of mass = 4.16339540314 0.280655611093 -1.26184691543 TCL: atom 1: phi = -0.440832788083 TCL: Center of mass = 4.1661256694 0.280413706468 -1.26199993408 TCL: atom 1: phi = -0.440808155534 TCL: Center of mass = 4.16885472481 0.280176620384 -1.2621732865 TCL: atom 1: phi = -0.440433067504 TCL: Center of mass = 4.17158216172 0.27993975424 -1.26235386321 TCL: atom 1: phi = -0.440193288484 TCL: Center of mass = 4.17430710487 0.279720448835 -1.26253312837 TCL: atom 1: phi = -0.439778731157 TCL: Center of mass = 4.17703232218 0.279502160676 -1.26271432012 TCL: atom 1: phi = -0.439594361041 TCL: Center of mass = 4.1797522751 0.279286430328 -1.26290901007 TCL: atom 1: phi = -0.439220410035 TCL: Center of mass = 4.18246721049 0.279080782975 -1.2630901429 TCL: atom 1: phi = -0.43911223616 TCL: Center of mass = 4.18519097674 0.278859794497 -1.26326506674 TCL: atom 1: phi = -0.438880748892 TCL: Center of mass = 4.18791312762 0.27863512657 -1.26345020821 TCL: atom 1: phi = -0.438832029658 TCL: Center of mass = 4.19064215914 0.278412500149 -1.26363335475 TCL: atom 1: phi = -0.438604366885 TCL: Center of mass = 4.19337825766 0.278195155636 -1.26382038433 TCL: atom 1: phi = -0.438585448181 TCL: Center of mass = 4.19611677999 0.277970309736 -1.2640153034 TCL: atom 1: phi = -0.438397804226 TCL: Center of mass = 4.1988549381 0.277748766079 -1.26421601415 TCL: atom 1: phi = -0.438451214437 TCL: Center of mass = 4.20159270909 0.277525446751 -1.26441324099 TCL: atom 1: phi = -0.438410484497 TCL: Center of mass = 4.20433106508 0.277300495101 -1.26460766818 TCL: atom 1: phi = -0.438627637146 TCL: Center of mass = 4.20706836262 0.277088477264 -1.26480343226 TCL: atom 1: phi = -0.438695285926 TCL: Center of mass = 4.2098056436 0.276877447411 -1.26499933839 TCL: atom 1: phi = -0.438903963344 TCL: Center of mass = 4.21253469133 0.276649505623 -1.265193403 TCL: atom 1: phi = -0.438828811763 TCL: Center of mass = 4.21526616319 0.27642911937 -1.26538778353 TCL: atom 1: phi = -0.43882497353 TCL: Center of mass = 4.21798802813 0.27620026221 -1.26558979762 TCL: atom 1: phi = -0.438477399342 TCL: Center of mass = 4.22070334132 0.275963981103 -1.26578624589 TCL: atom 1: phi = -0.438110954814 TCL: Center of mass = 4.22342721316 0.275742719453 -1.26597838326 TCL: atom 1: phi = -0.43733920733 TCL: Center of mass = 4.22614837236 0.275523399538 -1.26616085979 TCL: atom 1: phi = -0.436592136923 TCL: Center of mass = 4.22886749756 0.275301789273 -1.26632725581 TCL: atom 1: phi = -0.435604902023 TCL: Center of mass = 4.23158743441 0.275075858796 -1.2664872076 TCL: atom 1: phi = -0.434797852128 TCL: Center of mass = 4.23430102992 0.274846020626 -1.26663061469 TCL: atom 1: phi = -0.43388997227 TCL: Center of mass = 4.23701244356 0.274625219497 -1.26676863687 TCL: atom 1: phi = -0.4331725072 TCL: Center of mass = 4.23972430364 0.274411595439 -1.26691051687 TCL: atom 1: phi = -0.432289034376 TCL: Center of mass = 4.24243579733 0.274212472455 -1.26706091518 TCL: atom 1: phi = -0.431632814503 TCL: Center of mass = 4.24514655275 0.274007469432 -1.26721126417 TCL: atom 1: phi = -0.430773364324 TCL: Center of mass = 4.24785387501 0.273800234525 -1.26736545068 TCL: atom 1: phi = -0.430025482753 TCL: Center of mass = 4.25055737345 0.273593331509 -1.26752155757 TCL: atom 1: phi = -0.42902890186 TCL: Center of mass = 4.2532631427 0.273383777009 -1.26768552497 TCL: atom 1: phi = -0.428258884535 TCL: Center of mass = 4.25596269038 0.273176180889 -1.26783865104 TCL: atom 1: phi = -0.427340840844 TCL: Center of mass = 4.25866375399 0.272962738231 -1.26800062825 TCL: atom 1: phi = -0.426746658538 TCL: Center of mass = 4.2613688369 0.272753121196 -1.26816983075 TCL: atom 1: phi = -0.426081840083 TCL: Center of mass = 4.26408113987 0.272538277061 -1.26834031089 TCL: atom 1: phi = -0.425735868515 TCL: Center of mass = 4.26679862562 0.272310289975 -1.26851892479 TCL: atom 1: phi = -0.425238226856 TIMING: 2500 CPU: 422.873, 0.169434/step Wall: 517.235, 0.207608/step, 1.0092 hours remaining, 20293 kB of memory in use. ENERGY: 2500 390.7976 663.2037 413.3361 43.0452 -2740.2147 -221.5025 0.0000 0.0000 1160.5049 -290.8297 316.2700 -282.0896 -281.8473 308.0007 415.2849 127.2451 64000.0000 187.4509 184.8521 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500 WRITING COORDINATES TO DCD FILE AT STEP 2500 WRITING COORDINATES TO RESTART FILE AT STEP 2500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 4.26951021796 0.272082375079 -1.26868305426 TCL: atom 1: phi = -0.425050428166 TCL: Center of mass = 4.27221866637 0.271854923116 -1.2688390777 TCL: atom 1: phi = -0.42465262288 TCL: Center of mass = 4.27493165277 0.271623318273 -1.26899968898 TCL: atom 1: phi = -0.424459164521 TCL: Center of mass = 4.2776443403 0.271390225659 -1.2691613688 TCL: atom 1: phi = -0.42405668378 TCL: Center of mass = 4.28036081717 0.271157341827 -1.26932454229 TCL: atom 1: phi = -0.423885018097 TCL: Center of mass = 4.28307701242 0.270923855812 -1.26949556822 TCL: atom 1: phi = -0.423589427548 TCL: Center of mass = 4.28579814293 0.270693804249 -1.26966546089 TCL: atom 1: phi = -0.423653012427 TCL: Center of mass = 4.28852071337 0.270458438375 -1.26981914347 TCL: atom 1: phi = -0.423647058236 TCL: Center of mass = 4.29123147411 0.270213304312 -1.26996271656 TCL: atom 1: phi = -0.424035114106 TCL: Center of mass = 4.29394470898 0.269974383883 -1.27011399959 TCL: atom 1: phi = -0.424391170299 TCL: Center of mass = 4.29664387035 0.269740259401 -1.27026175422 TCL: atom 1: phi = -0.425069464725 TCL: Center of mass = 4.29934508315 0.269509846455 -1.27041744297 TCL: atom 1: phi = -0.425627843254 TCL: Center of mass = 4.30205229915 0.269273655424 -1.27057872246 TCL: atom 1: phi = -0.426363115307 TCL: Center of mass = 4.30475221388 0.269034872017 -1.27074061285 TCL: atom 1: phi = -0.426880422228 TCL: Center of mass = 4.30744525877 0.268801998446 -1.27090385161 TCL: atom 1: phi = -0.427522488539 TCL: Center of mass = 4.31014014995 0.268570727298 -1.27106780695 TCL: atom 1: phi = -0.427932746311 TCL: Center of mass = 4.31283151394 0.268342400148 -1.27122195808 TCL: atom 1: phi = -0.428588052065 TCL: Center of mass = 4.31553469256 0.268123239711 -1.27137147345 TCL: atom 1: phi = -0.429084265695 TCL: Center of mass = 4.31822334426 0.267904769584 -1.2715165844 TCL: atom 1: phi = -0.429790116625 TCL: Center of mass = 4.32092708152 0.267679479193 -1.27165835278 TCL: atom 1: phi = -0.430333756499 TCL: Center of mass = 4.32362318078 0.267447560889 -1.27181010938 TCL: atom 1: phi = -0.430972887653 TCL: Center of mass = 4.32631340187 0.267207609769 -1.27197156555 TCL: atom 1: phi = -0.431310669279 TCL: Center of mass = 4.32900866858 0.266965028086 -1.27214384885 TCL: atom 1: phi = -0.431714546208 TCL: Center of mass = 4.33168854126 0.266718845158 -1.27231304975 TCL: atom 1: phi = -0.431781410767 TCL: Center of mass = 4.33437282512 0.266475869639 -1.27247754248 TCL: atom 1: phi = -0.431977557658 TCL: Center of mass = 4.33705185916 0.266217573009 -1.27264253989 TCL: atom 1: phi = -0.431884166403 TCL: Center of mass = 4.33972929873 0.265969280636 -1.27280820264 TCL: atom 1: phi = -0.432049215111 TCL: Center of mass = 4.34240198307 0.265730855289 -1.27296693132 TCL: atom 1: phi = -0.432032629472 TCL: Center of mass = 4.34508875374 0.265490688794 -1.27311930038 TCL: atom 1: phi = -0.432311129884 TCL: Center of mass = 4.3477779731 0.265244995369 -1.27326231651 TCL: atom 1: phi = -0.43240884703 TCL: Center of mass = 4.35046524893 0.264994693903 -1.27341018697 TCL: atom 1: phi = -0.432781742301 TCL: Center of mass = 4.35315717923 0.264746328927 -1.27354983768 TCL: atom 1: phi = -0.432875701045 TCL: Center of mass = 4.35585376782 0.264513593932 -1.27368576577 TCL: atom 1: phi = -0.433176905321 TCL: Center of mass = 4.35855058839 0.264267315743 -1.27383180748 TCL: atom 1: phi = -0.433051899732 TCL: Center of mass = 4.36124894846 0.264022071497 -1.27397071137 TCL: atom 1: phi = -0.433057461911 TCL: Center of mass = 4.3639468714 0.263777969065 -1.2741140051 TCL: atom 1: phi = -0.432675554725 TCL: Center of mass = 4.3666375058 0.263529113566 -1.27425846077 TCL: atom 1: phi = -0.432490726504 TCL: Center of mass = 4.36934097047 0.26328902787 -1.27440000259 TCL: atom 1: phi = -0.431953903511 TCL: Center of mass = 4.37204724202 0.263040333584 -1.27454344658 TCL: atom 1: phi = -0.431664789896 TCL: Center of mass = 4.37475063271 0.26278254982 -1.27468468473 TCL: atom 1: phi = -0.431113710578 TCL: Center of mass = 4.37745325635 0.262521821507 -1.27481921423 TCL: atom 1: phi = -0.430801027756 TCL: Center of mass = 4.38016354373 0.262258111725 -1.27495550528 TCL: atom 1: phi = -0.430202309249 TCL: Center of mass = 4.3828832498 0.261994170309 -1.27509427691 TCL: atom 1: phi = -0.429792404129 TCL: Center of mass = 4.38560661619 0.261734705629 -1.2752451115 TCL: atom 1: phi = -0.429027307455 TCL: Center of mass = 4.38832125629 0.261468181549 -1.27539237552 TCL: atom 1: phi = -0.428413288776 TCL: Center of mass = 4.39103471291 0.261213091721 -1.27554966618 TCL: atom 1: phi = -0.427579430509 TCL: Center of mass = 4.39375423492 0.260959385234 -1.27570025308 TCL: atom 1: phi = -0.427075425212 TCL: Center of mass = 4.39647016303 0.260708520089 -1.27585251243 TCL: atom 1: phi = -0.426406969701 TCL: Center of mass = 4.39919786088 0.260457122848 -1.27600871574 TCL: atom 1: phi = -0.426164128319 TCL: Center of mass = 4.40192469261 0.260212827466 -1.2761651184 TCL: atom 1: phi = -0.425853086663 TCL: Center of mass = 4.4046688996 0.259969959173 -1.27632261848 TCL: atom 1: phi = -0.42594975585 TCL: Center of mass = 4.40741573607 0.259723961581 -1.27648073169 TCL: atom 1: phi = -0.425909294302 TCL: Center of mass = 4.41017395033 0.259468151553 -1.27664178153 TCL: atom 1: phi = -0.426199405659 TCL: Center of mass = 4.41293599438 0.259215869488 -1.27680361357 TCL: atom 1: phi = -0.426300989637 TCL: Center of mass = 4.41568797731 0.258964737647 -1.27695432998 TCL: atom 1: phi = -0.426573573601 TCL: Center of mass = 4.41844153086 0.258706664931 -1.27710376654 TCL: atom 1: phi = -0.42651504037 TCL: Center of mass = 4.42120119153 0.258450348812 -1.27726524815 TCL: atom 1: phi = -0.42655013293 TCL: Center of mass = 4.42396318389 0.258190144986 -1.27742098444 TCL: atom 1: phi = -0.426178169131 TCL: Center of mass = 4.42673355563 0.257914941023 -1.27757816037 TCL: atom 1: phi = -0.425824076089 TCL: Center of mass = 4.42950138375 0.257638742702 -1.27773159691 TCL: atom 1: phi = -0.425093530972 TCL: Center of mass = 4.43227348375 0.257367257505 -1.2778880197 TCL: atom 1: phi = -0.424462898068 TCL: Center of mass = 4.43505702427 0.25710607597 -1.2780493106 TCL: atom 1: phi = -0.423515988443 TCL: Center of mass = 4.43784015015 0.256854551498 -1.27820452093 TCL: atom 1: phi = -0.422651533104 TCL: Center of mass = 4.44062761246 0.256606240728 -1.27836031107 TCL: atom 1: phi = -0.421383883676 TCL: Center of mass = 4.44341328106 0.256343394168 -1.2785208022 TCL: atom 1: phi = -0.420256257697 TCL: Center of mass = 4.44620582661 0.256089442239 -1.27869319316 TCL: atom 1: phi = -0.418754688878 TCL: Center of mass = 4.44900127658 0.255825336219 -1.2788736393 TCL: atom 1: phi = -0.417398508879 TCL: Center of mass = 4.45180054128 0.255564576576 -1.27905542399 TCL: atom 1: phi = -0.415747727965 TCL: Center of mass = 4.45459820152 0.255290464544 -1.27923097635 TCL: atom 1: phi = -0.414407372811 TCL: Center of mass = 4.45738331994 0.255015723291 -1.27940313885 TCL: atom 1: phi = -0.412890768479 TCL: Center of mass = 4.46018077757 0.254749791294 -1.27958434674 TCL: atom 1: phi = -0.411809604966 TCL: Center of mass = 4.46297205765 0.254484656919 -1.27976368495 TCL: atom 1: phi = -0.410622260877 TCL: Center of mass = 4.46576883012 0.254226838191 -1.2799474847 TCL: atom 1: phi = -0.409879178985 TCL: Center of mass = 4.46856703836 0.253969951447 -1.28013462328 TCL: atom 1: phi = -0.40892667444 TCL: Center of mass = 4.47136483115 0.253710862082 -1.28033454493 TCL: atom 1: phi = -0.408369135525 TCL: Center of mass = 4.47415104708 0.25344659064 -1.28053427269 TCL: atom 1: phi = -0.40749889754 TCL: Center of mass = 4.47693590755 0.253185260163 -1.28073941183 TCL: atom 1: phi = -0.406964745522 TCL: Center of mass = 4.47971732709 0.252930962618 -1.28094873593 TCL: atom 1: phi = -0.406098613408 TCL: Center of mass = 4.48250319773 0.25268102667 -1.2811676383 TCL: atom 1: phi = -0.405531805839 TCL: Center of mass = 4.48528049469 0.252428835391 -1.28139295485 TCL: atom 1: phi = -0.404652010851 TCL: Center of mass = 4.48805781977 0.252185469472 -1.28160992326 TCL: atom 1: phi = -0.40414015633 TCL: Center of mass = 4.49082987792 0.251933773671 -1.2818264294 TCL: atom 1: phi = -0.403389841632 TCL: Center of mass = 4.49360769247 0.25167613666 -1.28203637346 TCL: atom 1: phi = -0.402990780581 TCL: Center of mass = 4.49639112529 0.251405334617 -1.2822416955 TCL: atom 1: phi = -0.402205190155 TCL: Center of mass = 4.49917633472 0.251142371673 -1.28244687041 TCL: atom 1: phi = -0.401787172395 TCL: Center of mass = 4.50197216173 0.250889717921 -1.28265215373 TCL: atom 1: phi = -0.400900020804 TCL: Center of mass = 4.50478022052 0.250634663665 -1.28284995948 TCL: atom 1: phi = -0.400316874234 TCL: Center of mass = 4.50758708528 0.250388537915 -1.28305411608 TCL: atom 1: phi = -0.399440294006 TCL: Center of mass = 4.51038484354 0.250145436068 -1.28326789946 TCL: atom 1: phi = -0.399078868225 TCL: Center of mass = 4.51318316409 0.249897720153 -1.28348933682 TCL: atom 1: phi = -0.398507725483 TCL: Center of mass = 4.51597995927 0.249654158276 -1.28370711981 TCL: atom 1: phi = -0.398538046946 TCL: Center of mass = 4.51878920995 0.249413501461 -1.28392213881 TCL: atom 1: phi = -0.398366058487 TCL: Center of mass = 4.52158478382 0.249184830467 -1.28413210026 TCL: atom 1: phi = -0.398796100931 TCL: Center of mass = 4.52438612952 0.248948524926 -1.28435476958 TCL: atom 1: phi = -0.398950607294 TCL: Center of mass = 4.52719302526 0.248728828699 -1.28457838416 TCL: atom 1: phi = -0.399491538951 TCL: Center of mass = 4.52999706338 0.248492868414 -1.28480032832 TCL: atom 1: phi = -0.399708574277 TCL: Center of mass = 4.53279966859 0.248249676639 -1.28502919767 TCL: atom 1: phi = -0.400240962231 TCL: Center of mass = 4.53560064854 0.247997069304 -1.28527054288 TCL: atom 1: phi = -0.400322730923 TCL: Center of mass = 4.53840687464 0.2477363824 -1.28550909552 TCL: atom 1: phi = -0.400776867063 TCL: Center of mass = 4.54121469655 0.247463723073 -1.2857460534 TCL: atom 1: phi = -0.400918377681 TIMING: 2600 CPU: 439.848, 0.169754/step Wall: 538.035, 0.207997/step, 1.00532 hours remaining, 20295 kB of memory in use. ENERGY: 2600 398.6989 733.6334 428.1272 44.0178 -2787.6299 -216.0400 0.0000 0.0000 1106.9441 -292.2485 301.6732 -283.2050 -284.1525 310.0803 372.1286 105.3113 64000.0000 -51.6271 -54.6682 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600 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 TCL: Center of mass = 4.54401444323 0.247196426641 -1.28598383823 TCL: atom 1: phi = -0.401474133199 TCL: Center of mass = 4.54681349436 0.246918623502 -1.28621666197 TCL: atom 1: phi = -0.401856256214 TCL: Center of mass = 4.54960785636 0.246638377187 -1.28644683344 TCL: atom 1: phi = -0.402642465711 TCL: Center of mass = 4.55239769033 0.246368923981 -1.28668755081 TCL: atom 1: phi = -0.403158368526 TCL: Center of mass = 4.55519541742 0.246089190831 -1.28692233447 TCL: atom 1: phi = -0.404030272888 TCL: Center of mass = 4.55799043708 0.245814894134 -1.28716666859 TCL: atom 1: phi = -0.40460299466 TCL: Center of mass = 4.56078808581 0.24553286435 -1.28741799892 TCL: atom 1: phi = -0.405355221712 TCL: Center of mass = 4.56358019102 0.245252304359 -1.28766022701 TCL: atom 1: phi = -0.405750680655 TCL: Center of mass = 4.56637405589 0.244979377849 -1.2879125753 TCL: atom 1: phi = -0.406388952912 TCL: Center of mass = 4.5691629071 0.244693606813 -1.28815782403 TCL: atom 1: phi = -0.406776101805 TCL: Center of mass = 4.57195129371 0.244414549548 -1.28840592786 TCL: atom 1: phi = -0.407468910044 TCL: Center of mass = 4.57474141334 0.244136534678 -1.28865669736 TCL: atom 1: phi = -0.407970519497 TCL: Center of mass = 4.5775341693 0.24386195916 -1.28889674527 TCL: atom 1: phi = -0.40883526003 TCL: Center of mass = 4.58032837102 0.243581423256 -1.28914812388 TCL: atom 1: phi = -0.409463390972 TCL: Center of mass = 4.58311542206 0.24329971843 -1.28940580849 TCL: atom 1: phi = -0.4103260957 TCL: Center of mass = 4.58592102909 0.243008109968 -1.28966387481 TCL: atom 1: phi = -0.410805149 TCL: Center of mass = 4.58872754882 0.242715723899 -1.28991526972 TCL: atom 1: phi = -0.411419233703 TCL: Center of mass = 4.59153049593 0.242431500941 -1.29016423116 TCL: atom 1: phi = -0.411638150525 TCL: Center of mass = 4.59434166975 0.242145545993 -1.29040770108 TCL: atom 1: phi = -0.41200631442 TCL: Center of mass = 4.59715976433 0.241844573218 -1.29065149365 TCL: atom 1: phi = -0.412020294833 TCL: Center of mass = 4.59998421944 0.241536961024 -1.29089854346 TCL: atom 1: phi = -0.412306459774 TCL: Center of mass = 4.60280426586 0.241237388149 -1.29114618888 TCL: atom 1: phi = -0.412412004431 TCL: Center of mass = 4.6056257835 0.240944420763 -1.29142139692 TCL: atom 1: phi = -0.412888256562 TCL: Center of mass = 4.6084539977 0.240646057359 -1.29170590337 TCL: atom 1: phi = -0.413141764204 TCL: Center of mass = 4.61129041184 0.240347119881 -1.29200034615 TCL: atom 1: phi = -0.413648976211 TCL: Center of mass = 4.61413019093 0.240046976036 -1.29230010774 TCL: atom 1: phi = -0.413849845291 TCL: Center of mass = 4.61696540043 0.239744735006 -1.29259239865 TCL: atom 1: phi = -0.414217920652 TCL: Center of mass = 4.61980029348 0.239435745658 -1.29289581161 TCL: atom 1: phi = -0.414210747457 TCL: Center of mass = 4.6226418233 0.239114399922 -1.29319162214 TCL: atom 1: phi = -0.414441993921 TCL: Center of mass = 4.6254865258 0.238786895052 -1.29348334744 TCL: atom 1: phi = -0.414369468487 TCL: Center of mass = 4.62832609189 0.238461623005 -1.29377305037 TCL: atom 1: phi = -0.414600271793 TCL: Center of mass = 4.63116996662 0.238133597063 -1.29405472027 TCL: atom 1: phi = -0.414585515185 TCL: Center of mass = 4.63401064393 0.237808957031 -1.29433005772 TCL: atom 1: phi = -0.41492322103 TCL: Center of mass = 4.63684822136 0.237486450412 -1.2946135927 TCL: atom 1: phi = -0.414918350594 TCL: Center of mass = 4.63968755549 0.237164510735 -1.29489099419 TCL: atom 1: phi = -0.415066455567 TCL: Center of mass = 4.64251748578 0.236843214683 -1.29517301499 TCL: atom 1: phi = -0.414801659036 TCL: Center of mass = 4.64535556387 0.236521052926 -1.29545620195 TCL: atom 1: phi = -0.414651898216 TCL: Center of mass = 4.64819212413 0.236188874454 -1.29572628024 TCL: atom 1: phi = -0.414095292387 TCL: Center of mass = 4.65102317724 0.235860893338 -1.29599246397 TCL: atom 1: phi = -0.413689029669 TCL: Center of mass = 4.65385359457 0.235534391725 -1.29626174477 TCL: atom 1: phi = -0.412897274718 TCL: Center of mass = 4.65669455187 0.235211085984 -1.29653731421 TCL: atom 1: phi = -0.412421558273 TCL: Center of mass = 4.6595451248 0.234879337844 -1.29680915942 TCL: atom 1: phi = -0.411787005573 TCL: Center of mass = 4.66239982781 0.234549912282 -1.29706564639 TCL: atom 1: phi = -0.411601864174 TCL: Center of mass = 4.66526321757 0.23421429015 -1.29732797726 TCL: atom 1: phi = -0.411327967628 TCL: Center of mass = 4.66812485615 0.233878147639 -1.29758775281 TCL: atom 1: phi = -0.411402479729 TCL: Center of mass = 4.67098769082 0.233539795535 -1.29784676042 TCL: atom 1: phi = -0.411350910959 TCL: Center of mass = 4.67384160372 0.233209551207 -1.29810536877 TCL: atom 1: phi = -0.411598610846 TCL: Center of mass = 4.67669569338 0.232873839811 -1.29835466057 TCL: atom 1: phi = -0.411626669267 TCL: Center of mass = 4.679548056 0.232531035108 -1.29859765796 TCL: atom 1: phi = -0.411940933129 TCL: Center of mass = 4.68239254008 0.232176353607 -1.29884844386 TCL: atom 1: phi = -0.412044351658 TCL: Center of mass = 4.68523857488 0.231821620774 -1.29909415579 TCL: atom 1: phi = -0.412379684097 TCL: Center of mass = 4.68808701246 0.231469952303 -1.29934748576 TCL: atom 1: phi = -0.412532537416 TCL: Center of mass = 4.69094113166 0.231120295715 -1.29961139054 TCL: atom 1: phi = -0.41297479608 TCL: Center of mass = 4.69379537708 0.230762313804 -1.29986402182 TCL: atom 1: phi = -0.413223591155 TCL: Center of mass = 4.69664046115 0.230402687608 -1.30011932047 TCL: atom 1: phi = -0.413677844189 TCL: Center of mass = 4.69949003217 0.230048762698 -1.30038485086 TCL: atom 1: phi = -0.413906168851 TCL: Center of mass = 4.70234412549 0.22969719426 -1.30065477305 TCL: atom 1: phi = -0.414198420194 TCL: Center of mass = 4.70519750429 0.229348632618 -1.3009302308 TCL: atom 1: phi = -0.414064114802 TCL: Center of mass = 4.7080533296 0.229012847015 -1.30120265047 TCL: atom 1: phi = -0.413958457555 TCL: Center of mass = 4.71092143355 0.228671544298 -1.3014808061 TCL: atom 1: phi = -0.413489151111 TCL: Center of mass = 4.71378020255 0.228329230389 -1.30176091864 TCL: atom 1: phi = -0.413132629996 TCL: Center of mass = 4.71662618102 0.227984906728 -1.30204545276 TCL: atom 1: phi = -0.412557064285 TCL: Center of mass = 4.71948467078 0.227626716754 -1.30233742088 TCL: atom 1: phi = -0.412234188226 TCL: Center of mass = 4.72234163477 0.227271155058 -1.30262532748 TCL: atom 1: phi = -0.411787439685 TCL: Center of mass = 4.72520561826 0.226926732933 -1.30290136121 TCL: atom 1: phi = -0.411679633283 TCL: Center of mass = 4.72805795499 0.226585592513 -1.30318091282 TCL: atom 1: phi = -0.411442032203 TCL: Center of mass = 4.73091022337 0.226242117044 -1.30345084983 TCL: atom 1: phi = -0.411448581735 TCL: Center of mass = 4.73375068875 0.225889942641 -1.30372648438 TCL: atom 1: phi = -0.411191891152 TCL: Center of mass = 4.73658768212 0.225544555074 -1.30398483704 TCL: atom 1: phi = -0.411147361483 TCL: Center of mass = 4.73942090241 0.225203597461 -1.30425108972 TCL: atom 1: phi = -0.41081792707 TCL: Center of mass = 4.7422532245 0.224862374581 -1.30450489984 TCL: atom 1: phi = -0.410685004343 TCL: Center of mass = 4.74509278422 0.224528549324 -1.30475436363 TCL: atom 1: phi = -0.410347883688 TCL: Center of mass = 4.74794078964 0.224182214634 -1.30500163915 TCL: atom 1: phi = -0.410306381831 TCL: Center of mass = 4.75079354046 0.22383051736 -1.30525292937 TCL: atom 1: phi = -0.410048852633 TCL: Center of mass = 4.75365455133 0.223483992955 -1.30550488278 TCL: atom 1: phi = -0.410089949331 TCL: Center of mass = 4.75651686488 0.223140106945 -1.30576183496 TCL: atom 1: phi = -0.409934351503 TCL: Center of mass = 4.75938394463 0.222798412212 -1.30602529206 TCL: atom 1: phi = -0.410020408872 TCL: Center of mass = 4.76223620932 0.222459157941 -1.3062857165 TCL: atom 1: phi = -0.409715153449 TCL: Center of mass = 4.76507957901 0.222110813963 -1.30655132699 TCL: atom 1: phi = -0.409597469939 TCL: Center of mass = 4.76792546528 0.221776707036 -1.30682886152 TCL: atom 1: phi = -0.409035733796 TCL: Center of mass = 4.77077343762 0.221439526426 -1.30711019402 TCL: atom 1: phi = -0.408700543611 TCL: Center of mass = 4.77363297513 0.221100473751 -1.3073884769 TCL: atom 1: phi = -0.408044563684 TCL: Center of mass = 4.776478424 0.220758647529 -1.30767675297 TCL: atom 1: phi = -0.407863883146 TCL: Center of mass = 4.77932561189 0.220406504282 -1.30795539969 TCL: atom 1: phi = -0.407529489742 TCL: Center of mass = 4.78216370926 0.220049636149 -1.30822944917 TCL: atom 1: phi = -0.407813451182 TCL: Center of mass = 4.78500906986 0.219702603457 -1.3085102546 TCL: atom 1: phi = -0.407925976265 TCL: Center of mass = 4.7878576455 0.219352159558 -1.30878875847 TCL: atom 1: phi = -0.408584435818 TCL: Center of mass = 4.79071056574 0.2190079887 -1.30906874559 TCL: atom 1: phi = -0.408975919178 TCL: Center of mass = 4.79356745467 0.218671503391 -1.30935271082 TCL: atom 1: phi = -0.409764804126 TCL: Center of mass = 4.79642248546 0.218336681898 -1.30964364472 TCL: atom 1: phi = -0.410184640147 TCL: Center of mass = 4.79928469609 0.218002707387 -1.30992820879 TCL: atom 1: phi = -0.410983830773 TCL: Center of mass = 4.80214711751 0.217657409937 -1.31021155787 TCL: atom 1: phi = -0.411465197472 TCL: Center of mass = 4.80500302382 0.217330632075 -1.3104962833 TCL: atom 1: phi = -0.412342234286 TCL: Center of mass = 4.807837953 0.216999774377 -1.31078345335 TCL: atom 1: phi = -0.412858480185 TCL: Center of mass = 4.81068048026 0.216660532053 -1.31107034599 TCL: atom 1: phi = -0.413722294242 TCL: Center of mass = 4.8135304005 0.216315682384 -1.31136286437 TCL: atom 1: phi = -0.414238362135 TCL: Center of mass = 4.8163704352 0.215969363243 -1.31165387999 TCL: atom 1: phi = -0.414920132368 TCL: Center of mass = 4.81920967434 0.215620450898 -1.31194931954 TCL: atom 1: phi = -0.415116518234 TCL: Center of mass = 4.82205422032 0.215259886927 -1.31224388303 TCL: atom 1: phi = -0.415317594947 TCL: Center of mass = 4.82489694391 0.214902010587 -1.31254031397 TCL: atom 1: phi = -0.41487662889 TIMING: 2700 CPU: 456.788, 0.169394/step Wall: 558.781, 0.207465/step, 0.996985 hours remaining, 20297 kB of memory in use. ENERGY: 2700 399.8558 707.6664 424.2183 36.3057 -2787.3845 -215.6329 0.0000 0.0000 1141.6890 -293.2821 311.1422 -284.7335 -283.9470 309.4708 398.6499 700.4684 64000.0000 346.1959 350.7375 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700 WRITING COORDINATES TO DCD FILE AT STEP 2700 WRITING COORDINATES TO RESTART FILE AT STEP 2700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 4.82774159503 0.214555594222 -1.31284583002 TCL: atom 1: phi = -0.414502663165 TCL: Center of mass = 4.83058187159 0.21420984997 -1.31314974307 TCL: atom 1: phi = -0.413669966097 TCL: Center of mass = 4.83341101341 0.213868394683 -1.31345426639 TCL: atom 1: phi = -0.413007013606 TCL: Center of mass = 4.83623896298 0.213533954133 -1.3137530707 TCL: atom 1: phi = -0.412064156133 TCL: Center of mass = 4.83906726748 0.213199403208 -1.31404875584 TCL: atom 1: phi = -0.411456479516 TCL: Center of mass = 4.84190016587 0.212861558598 -1.31434769465 TCL: atom 1: phi = -0.41057930205 TCL: Center of mass = 4.84473031109 0.212530009829 -1.3146439633 TCL: atom 1: phi = -0.410006253448 TCL: Center of mass = 4.84755356436 0.212208124008 -1.31493551618 TCL: atom 1: phi = -0.409136358737 TCL: Center of mass = 4.85037514474 0.21188441193 -1.31521888678 TCL: atom 1: phi = -0.408507965908 TCL: Center of mass = 4.85320142736 0.211573860998 -1.3155185543 TCL: atom 1: phi = -0.40749889185 TCL: Center of mass = 4.85601924516 0.211259462562 -1.31581674203 TCL: atom 1: phi = -0.406617248798 TCL: Center of mass = 4.85883547013 0.210943326111 -1.31610779112 TCL: atom 1: phi = -0.405417888909 TCL: Center of mass = 4.86164593821 0.210627536088 -1.31639920531 TCL: atom 1: phi = -0.404499690832 TCL: Center of mass = 4.8644560501 0.210327941642 -1.31669205292 TCL: atom 1: phi = -0.403335209053 TCL: Center of mass = 4.86727696434 0.210022404733 -1.31698910999 TCL: atom 1: phi = -0.402574290739 TCL: Center of mass = 4.87010795906 0.209709523697 -1.3172770846 TCL: atom 1: phi = -0.401597751278 TCL: Center of mass = 4.87295259202 0.209396597585 -1.31756633316 TCL: atom 1: phi = -0.401011149622 TCL: Center of mass = 4.87579320072 0.209092702202 -1.31784873519 TCL: atom 1: phi = -0.400053938289 TCL: Center of mass = 4.87863689043 0.20879712379 -1.31814337821 TCL: atom 1: phi = -0.399352029418 TCL: Center of mass = 4.88148231539 0.208505192822 -1.31844144256 TCL: atom 1: phi = -0.398221633661 TCL: Center of mass = 4.88433917106 0.208210918561 -1.31873857548 TCL: atom 1: phi = -0.397310628434 TCL: Center of mass = 4.88718473071 0.207915162371 -1.31903626365 TCL: atom 1: phi = -0.396069875589 TCL: Center of mass = 4.89002618976 0.207621105261 -1.3193224861 TCL: atom 1: phi = -0.395216963121 TCL: Center of mass = 4.89287241534 0.2073417354 -1.3196113682 TCL: atom 1: phi = -0.394213809125 TCL: Center of mass = 4.89573333004 0.207064107283 -1.31989422433 TCL: atom 1: phi = -0.393797176992 TCL: Center of mass = 4.89859205679 0.206798176376 -1.32018285016 TCL: atom 1: phi = -0.393244732018 TCL: Center of mass = 4.90145449925 0.206526829579 -1.32047336303 TCL: atom 1: phi = -0.393284523389 TCL: Center of mass = 4.90431470138 0.206249871362 -1.32076692155 TCL: atom 1: phi = -0.393079992524 TCL: Center of mass = 4.90716405107 0.205961240019 -1.32105352294 TCL: atom 1: phi = -0.393242287258 TCL: Center of mass = 4.91001671227 0.205659979299 -1.32133372067 TCL: atom 1: phi = -0.393017753934 TCL: Center of mass = 4.91288036874 0.205347493023 -1.32162501316 TCL: atom 1: phi = -0.392985869022 TCL: Center of mass = 4.91573687118 0.205039999643 -1.3219125167 TCL: atom 1: phi = -0.392467992534 TCL: Center of mass = 4.9186053887 0.204736844282 -1.32218644746 TCL: atom 1: phi = -0.392206872938 TCL: Center of mass = 4.92147327098 0.204429450569 -1.32245582968 TCL: atom 1: phi = -0.391508294716 TCL: Center of mass = 4.92433801903 0.204124912599 -1.32273512502 TCL: atom 1: phi = -0.391082104698 TCL: Center of mass = 4.92720033223 0.203818019321 -1.32302160245 TCL: atom 1: phi = -0.390215337459 TCL: Center of mass = 4.93005605104 0.203516326638 -1.32331935467 TCL: atom 1: phi = -0.389657699775 TCL: Center of mass = 4.93292236722 0.203205337066 -1.32360961427 TCL: atom 1: phi = -0.388573936247 TCL: Center of mass = 4.93578884565 0.202894317241 -1.32389622457 TCL: atom 1: phi = -0.387668381573 TCL: Center of mass = 4.93866404439 0.202576674123 -1.32417964068 TCL: atom 1: phi = -0.386171200535 TCL: Center of mass = 4.94154654975 0.202264491575 -1.32446658522 TCL: atom 1: phi = -0.384849932153 TCL: Center of mass = 4.94443124474 0.201949436081 -1.32476000658 TCL: atom 1: phi = -0.383011083517 TCL: Center of mass = 4.94732077362 0.201636810537 -1.32505057494 TCL: atom 1: phi = -0.381578575764 TCL: Center of mass = 4.95020661413 0.201325894828 -1.32534642304 TCL: atom 1: phi = -0.379788663862 TCL: Center of mass = 4.95309788461 0.201016304968 -1.32565681013 TCL: atom 1: phi = -0.378577070624 TCL: Center of mass = 4.95600123096 0.200701480017 -1.32595949304 TCL: atom 1: phi = -0.37718412979 TCL: Center of mass = 4.9589028815 0.200397264886 -1.32626295709 TCL: atom 1: phi = -0.376486304302 TCL: Center of mass = 4.96180644357 0.200091777387 -1.3265686941 TCL: atom 1: phi = -0.37564727293 TCL: Center of mass = 4.9647075814 0.199773727067 -1.32688136345 TCL: atom 1: phi = -0.375377923237 TCL: Center of mass = 4.96761177879 0.19946366174 -1.32719461402 TCL: atom 1: phi = -0.374821715164 TCL: Center of mass = 4.97050667005 0.199146913591 -1.3275086161 TCL: atom 1: phi = -0.374624107892 TCL: Center of mass = 4.97340495878 0.198836236093 -1.32782583745 TCL: atom 1: phi = -0.374044657012 TCL: Center of mass = 4.97629720215 0.19853010251 -1.3281465468 TCL: atom 1: phi = -0.373837953153 TCL: Center of mass = 4.97919968881 0.19822480022 -1.32845874807 TCL: atom 1: phi = -0.37324803833 TCL: Center of mass = 4.98211117284 0.197923543435 -1.32877353509 TCL: atom 1: phi = -0.373015016412 TCL: Center of mass = 4.98502827792 0.197623358779 -1.3290727497 TCL: atom 1: phi = -0.372502094481 TCL: Center of mass = 4.98794005967 0.197319469584 -1.32936357113 TCL: atom 1: phi = -0.372337357841 TCL: Center of mass = 4.99085059964 0.197017025944 -1.32965431122 TCL: atom 1: phi = -0.3717997404 TCL: Center of mass = 4.99374693077 0.196707245896 -1.32993511556 TCL: atom 1: phi = -0.371483672521 TCL: Center of mass = 4.99663885879 0.196399056199 -1.33021847086 TCL: atom 1: phi = -0.37083956039 TCL: Center of mass = 4.99953657894 0.19609136573 -1.33050110036 TCL: atom 1: phi = -0.370444087576 TCL: Center of mass = 5.00244083478 0.19578136063 -1.33080565444 TCL: atom 1: phi = -0.369625879576 TCL: Center of mass = 5.00534547267 0.195476036819 -1.33110327557 TCL: atom 1: phi = -0.369143305077 TCL: Center of mass = 5.0082623773 0.195173888085 -1.33139895009 TCL: atom 1: phi = -0.368443662367 TCL: Center of mass = 5.01117760419 0.194853194735 -1.33169821939 TCL: atom 1: phi = -0.368200334856 TCL: Center of mass = 5.01410912465 0.19453032043 -1.3319972919 TCL: atom 1: phi = -0.367832322138 TCL: Center of mass = 5.01703643908 0.194202292782 -1.33229149298 TCL: atom 1: phi = -0.367916753366 TCL: Center of mass = 5.01996637892 0.193879038538 -1.33259439888 TCL: atom 1: phi = -0.367798542492 TCL: Center of mass = 5.02290819409 0.193551756403 -1.33290146128 TCL: atom 1: phi = -0.368026833502 TCL: Center of mass = 5.02584763745 0.193234842435 -1.33321092606 TCL: atom 1: phi = -0.368012858581 TCL: Center of mass = 5.02878391241 0.192916437864 -1.33351866763 TCL: atom 1: phi = -0.368266610929 TCL: Center of mass = 5.03172291825 0.192600654096 -1.3338199808 TCL: atom 1: phi = -0.368115103509 TCL: Center of mass = 5.03465929179 0.192294318127 -1.33410930594 TCL: atom 1: phi = -0.368107526915 TCL: Center of mass = 5.03760659131 0.191982215417 -1.33438615571 TCL: atom 1: phi = -0.367701405167 TCL: Center of mass = 5.04054002665 0.191654832399 -1.33466388348 TCL: atom 1: phi = -0.367493268601 TCL: Center of mass = 5.04346291152 0.191322030138 -1.33494166833 TCL: atom 1: phi = -0.366938313277 TCL: Center of mass = 5.04638827397 0.190993714505 -1.33522229757 TCL: atom 1: phi = -0.366583032712 TCL: Center of mass = 5.04931720814 0.190654098725 -1.33550238435 TCL: atom 1: phi = -0.36592388216 TCL: Center of mass = 5.05223748642 0.190315601383 -1.33578215542 TCL: atom 1: phi = -0.365441891531 TCL: Center of mass = 5.05516583954 0.189989015705 -1.33606457649 TCL: atom 1: phi = -0.364625129116 TCL: Center of mass = 5.05810301482 0.189654018083 -1.33635771035 TCL: atom 1: phi = -0.364010627189 TCL: Center of mass = 5.06105770603 0.189325827881 -1.33664615735 TCL: atom 1: phi = -0.362992243762 TCL: Center of mass = 5.06402519132 0.188988703898 -1.33693305519 TCL: atom 1: phi = -0.362223773918 TCL: Center of mass = 5.06700006209 0.188649950886 -1.33722919546 TCL: atom 1: phi = -0.36120753232 TCL: Center of mass = 5.06996835499 0.188301162257 -1.33751578336 TCL: atom 1: phi = -0.360603269883 TCL: Center of mass = 5.07292293468 0.18796722783 -1.33780900818 TCL: atom 1: phi = -0.359845493289 TCL: Center of mass = 5.07587269396 0.187633682139 -1.33810074464 TCL: atom 1: phi = -0.359472570436 TCL: Center of mass = 5.07881976411 0.187294786165 -1.33839081322 TCL: atom 1: phi = -0.35900730427 TCL: Center of mass = 5.08176704864 0.186958080023 -1.33867281372 TCL: atom 1: phi = -0.358875711614 TCL: Center of mass = 5.08471456314 0.18662795819 -1.33895897786 TCL: atom 1: phi = -0.358566227359 TCL: Center of mass = 5.08766985265 0.186280703275 -1.33924317449 TCL: atom 1: phi = -0.358498951928 TCL: Center of mass = 5.09062430423 0.185947586113 -1.33953230599 TCL: atom 1: phi = -0.35811904133 TCL: Center of mass = 5.09358828234 0.185619783086 -1.33982431658 TCL: atom 1: phi = -0.357920879727 TCL: Center of mass = 5.09655198385 0.185293839818 -1.34012841241 TCL: atom 1: phi = -0.357386002219 TCL: Center of mass = 5.09953242415 0.18495644799 -1.34042766895 TCL: atom 1: phi = -0.357029068928 TCL: Center of mass = 5.1025132058 0.184614311486 -1.3407308244 TCL: atom 1: phi = -0.356389748221 TCL: Center of mass = 5.10548369477 0.184275731007 -1.34103999691 TCL: atom 1: phi = -0.355891190432 TCL: Center of mass = 5.10844661855 0.183951820824 -1.34134705165 TCL: atom 1: phi = -0.355111539837 TCL: Center of mass = 5.11140301398 0.183613455431 -1.34165006045 TCL: atom 1: phi = -0.354471737383 TCL: Center of mass = 5.11436274236 0.183274990968 -1.341951714 TCL: atom 1: phi = -0.353527841791 TIMING: 2800 CPU: 473.821, 0.170334/step Wall: 579.653, 0.208719/step, 0.997214 hours remaining, 20299 kB of memory in use. ENERGY: 2800 402.1051 727.9297 414.9043 41.6778 -2773.6614 -239.6068 0.0000 0.0000 1126.7195 -299.9319 307.0626 -291.1627 -291.2968 311.5892 -239.2383 -0.2525 64000.0000 3.0333 -4.4350 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800 WRITING COORDINATES TO DCD FILE AT STEP 2800 WRITING COORDINATES TO RESTART FILE AT STEP 2800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.11732287553 0.182944710555 -1.34223965943 TCL: atom 1: phi = -0.352685420033 TCL: Center of mass = 5.12027271335 0.182611154613 -1.34252898282 TCL: atom 1: phi = -0.351549244316 TCL: Center of mass = 5.12322743325 0.182283415383 -1.342832594 TCL: atom 1: phi = -0.35059178292 TCL: Center of mass = 5.12619437037 0.181956014493 -1.34313125868 TCL: atom 1: phi = -0.349347695169 TCL: Center of mass = 5.12915458735 0.18163181924 -1.34343325046 TCL: atom 1: phi = -0.348347606186 TCL: Center of mass = 5.13211335658 0.181306901987 -1.34372278497 TCL: atom 1: phi = -0.34718515161 TCL: Center of mass = 5.13508331465 0.180969361705 -1.34400797311 TCL: atom 1: phi = -0.34635139358 TCL: Center of mass = 5.13804629169 0.180634111099 -1.34428517488 TCL: atom 1: phi = -0.345386863252 TCL: Center of mass = 5.14101152516 0.18029015781 -1.34455799581 TCL: atom 1: phi = -0.344802383926 TCL: Center of mass = 5.14397501156 0.17994134154 -1.34482892033 TCL: atom 1: phi = -0.344028936578 TCL: Center of mass = 5.14693130274 0.17957946232 -1.34510071842 TCL: atom 1: phi = -0.343478313905 TCL: Center of mass = 5.14989329373 0.179212700586 -1.34538228217 TCL: atom 1: phi = -0.342653675002 TCL: Center of mass = 5.15285817823 0.178832615242 -1.3456652906 TCL: atom 1: phi = -0.342004314761 TCL: Center of mass = 5.15582939878 0.178460431971 -1.34593957136 TCL: atom 1: phi = -0.340965657416 TCL: Center of mass = 5.15880738455 0.178107118644 -1.34620733188 TCL: atom 1: phi = -0.340005780291 TCL: Center of mass = 5.16178524619 0.177763327901 -1.3464706144 TCL: atom 1: phi = -0.338733955533 TCL: Center of mass = 5.16476581884 0.177415445329 -1.34673095421 TCL: atom 1: phi = -0.337705339103 TCL: Center of mass = 5.16776064159 0.177068381885 -1.34699380819 TCL: atom 1: phi = -0.336424902471 TCL: Center of mass = 5.17076997687 0.176723755804 -1.34726393911 TCL: atom 1: phi = -0.335450038217 TCL: Center of mass = 5.17378989466 0.176372012732 -1.34754034266 TCL: atom 1: phi = -0.334203514261 TCL: Center of mass = 5.17680998591 0.176013589642 -1.3478195295 TCL: atom 1: phi = -0.333289773044 TCL: Center of mass = 5.17982521706 0.175654537828 -1.34810395036 TCL: atom 1: phi = -0.33218573738 TCL: Center of mass = 5.18283307737 0.175294443268 -1.34839137575 TCL: atom 1: phi = -0.331424051569 TCL: Center of mass = 5.1858467528 0.17494384014 -1.34866766303 TCL: atom 1: phi = -0.330438167483 TCL: Center of mass = 5.18885467217 0.174597567726 -1.34895238856 TCL: atom 1: phi = -0.329847690798 TCL: Center of mass = 5.19186759861 0.174248071481 -1.34922503152 TCL: atom 1: phi = -0.329121263447 TCL: Center of mass = 5.19488531846 0.173903504995 -1.349484479 TCL: atom 1: phi = -0.328901886503 TCL: Center of mass = 5.19790015183 0.173560969521 -1.34974908167 TCL: atom 1: phi = -0.328560950941 TCL: Center of mass = 5.20091281781 0.173210129207 -1.35001646755 TCL: atom 1: phi = -0.328658601951 TCL: Center of mass = 5.20392873886 0.172864771719 -1.35028533157 TCL: atom 1: phi = -0.32855072803 TCL: Center of mass = 5.20694980791 0.172529289994 -1.35055102333 TCL: atom 1: phi = -0.328746742628 TCL: Center of mass = 5.2099708908 0.17221171726 -1.35082885147 TCL: atom 1: phi = -0.328568813162 TCL: Center of mass = 5.21299310722 0.171887560225 -1.3511050153 TCL: atom 1: phi = -0.328552994519 TCL: Center of mass = 5.21602152855 0.171559591517 -1.35138048185 TCL: atom 1: phi = -0.328175890358 TCL: Center of mass = 5.21904319009 0.171231245188 -1.35164874745 TCL: atom 1: phi = -0.328025752954 TCL: Center of mass = 5.22206823418 0.170904669245 -1.35192045754 TCL: atom 1: phi = -0.327568859075 TCL: Center of mass = 5.22509218394 0.170577207494 -1.35218614796 TCL: atom 1: phi = -0.327389443184 TCL: Center of mass = 5.22812468697 0.17024837236 -1.35244922266 TCL: atom 1: phi = -0.326974151476 TCL: Center of mass = 5.23115587683 0.169927123226 -1.35272061913 TCL: atom 1: phi = -0.326858657858 TCL: Center of mass = 5.23417685386 0.169606696574 -1.35299131241 TCL: atom 1: phi = -0.326515055109 TCL: Center of mass = 5.23720905297 0.169287605832 -1.35326406094 TCL: atom 1: phi = -0.326379302748 TCL: Center of mass = 5.24024373275 0.168962807995 -1.35354021886 TCL: atom 1: phi = -0.326007082523 TCL: Center of mass = 5.24327014517 0.168626364116 -1.35381718091 TCL: atom 1: phi = -0.325771030222 TCL: Center of mass = 5.24629357662 0.168287808155 -1.35409755507 TCL: atom 1: phi = -0.325221711784 TCL: Center of mass = 5.24932471103 0.16795141202 -1.35437610863 TCL: atom 1: phi = -0.324919950443 TCL: Center of mass = 5.25236028724 0.167620236489 -1.35467255158 TCL: atom 1: phi = -0.324412911103 TCL: Center of mass = 5.25540568098 0.167288221552 -1.35497061642 TCL: atom 1: phi = -0.32418798762 TCL: Center of mass = 5.2584444688 0.166961281315 -1.35527518778 TCL: atom 1: phi = -0.323752167927 TCL: Center of mass = 5.26148519752 0.166624550172 -1.35557681522 TCL: atom 1: phi = -0.323655218992 TCL: Center of mass = 5.26452359708 0.166270497621 -1.3558830646 TCL: atom 1: phi = -0.323354607392 TCL: Center of mass = 5.26756462116 0.165917704127 -1.35619431101 TCL: atom 1: phi = -0.323334778522 TCL: Center of mass = 5.27060453811 0.165565091316 -1.35649391335 TCL: atom 1: phi = -0.32298969752 TCL: Center of mass = 5.27363932845 0.165216692959 -1.35679667572 TCL: atom 1: phi = -0.322811257881 TCL: Center of mass = 5.27668794141 0.164874273605 -1.35710574586 TCL: atom 1: phi = -0.322370370598 TCL: Center of mass = 5.27974207575 0.164538531514 -1.35740852007 TCL: atom 1: phi = -0.32213669941 TCL: Center of mass = 5.28280194709 0.164203496739 -1.35771872382 TCL: atom 1: phi = -0.321607581357 TCL: Center of mass = 5.28585857578 0.163861713118 -1.35801823746 TCL: atom 1: phi = -0.321378988269 TCL: Center of mass = 5.28892003131 0.163521211093 -1.3583038598 TCL: atom 1: phi = -0.321012127655 TCL: Center of mass = 5.29199447087 0.163178680337 -1.35859417974 TCL: atom 1: phi = -0.320901192771 TCL: Center of mass = 5.29507120036 0.162834688501 -1.35889691456 TCL: atom 1: phi = -0.320591190218 TCL: Center of mass = 5.29814756882 0.162483892563 -1.35920418187 TCL: atom 1: phi = -0.320568204305 TCL: Center of mass = 5.30122824627 0.162128707774 -1.35951236706 TCL: atom 1: phi = -0.320317414392 TCL: Center of mass = 5.30430685354 0.16177503375 -1.35981988954 TCL: atom 1: phi = -0.32032463209 TCL: Center of mass = 5.30739666865 0.161423553332 -1.36012279732 TCL: atom 1: phi = -0.320086632261 TCL: Center of mass = 5.31048740951 0.161067833667 -1.36042271514 TCL: atom 1: phi = -0.32013547893 TCL: Center of mass = 5.31358057627 0.160709387636 -1.3607164291 TCL: atom 1: phi = -0.320001181085 TCL: Center of mass = 5.31666876831 0.160348519648 -1.36100924016 TCL: atom 1: phi = -0.320112906877 TCL: Center of mass = 5.31976655532 0.159984407604 -1.36130060402 TCL: atom 1: phi = -0.319974514005 TCL: Center of mass = 5.32287114784 0.159605256812 -1.36157705235 TCL: atom 1: phi = -0.32015459899 TCL: Center of mass = 5.32598102147 0.159228107577 -1.36186456005 TCL: atom 1: phi = -0.320104535991 TCL: Center of mass = 5.32908220441 0.158856886699 -1.36215015345 TCL: atom 1: phi = -0.320231444535 TCL: Center of mass = 5.33217510372 0.158489098686 -1.36243436116 TCL: atom 1: phi = -0.32007101185 TCL: Center of mass = 5.33526954399 0.158123377096 -1.36272862523 TCL: atom 1: phi = -0.320087774432 TCL: Center of mass = 5.33837831319 0.157756126078 -1.36302691238 TCL: atom 1: phi = -0.319743356994 TCL: Center of mass = 5.3414762402 0.157393214784 -1.36333077111 TCL: atom 1: phi = -0.319637177502 TCL: Center of mass = 5.34456908414 0.157028600932 -1.36363799616 TCL: atom 1: phi = -0.319306138954 TCL: Center of mass = 5.34765798831 0.156655235387 -1.36394490534 TCL: atom 1: phi = -0.319291533531 TCL: Center of mass = 5.35074465614 0.156282114951 -1.36424456248 TCL: atom 1: phi = -0.319117233343 TCL: Center of mass = 5.35383063061 0.155899467468 -1.36455323717 TCL: atom 1: phi = -0.319221583493 TCL: Center of mass = 5.3569149609 0.155524401668 -1.36486770955 TCL: atom 1: phi = -0.319135370868 TCL: Center of mass = 5.3600139904 0.15514272275 -1.36517973352 TCL: atom 1: phi = -0.319284078049 TCL: Center of mass = 5.3631199403 0.154763417532 -1.36548788118 TCL: atom 1: phi = -0.319165664757 TCL: Center of mass = 5.36623261493 0.154373783616 -1.36580492157 TCL: atom 1: phi = -0.319270496577 TCL: Center of mass = 5.36935083054 0.153981189361 -1.36611124544 TCL: atom 1: phi = -0.31907792185 TCL: Center of mass = 5.37245464247 0.153586604379 -1.36641623286 TCL: atom 1: phi = -0.319099654472 TCL: Center of mass = 5.375558872 0.153187002775 -1.36671939866 TCL: atom 1: phi = -0.318854800439 TCL: Center of mass = 5.37865830448 0.152782914473 -1.36701962783 TCL: atom 1: phi = -0.318907044668 TCL: Center of mass = 5.38176251682 0.152375604759 -1.36732753965 TCL: atom 1: phi = -0.318687562221 TCL: Center of mass = 5.38486776566 0.151963287542 -1.36764109774 TCL: atom 1: phi = -0.318779756889 TCL: Center of mass = 5.38797536582 0.151548450078 -1.3679437832 TCL: atom 1: phi = -0.318645155662 TCL: Center of mass = 5.39108675103 0.151128293034 -1.36823564583 TCL: atom 1: phi = -0.318798260701 TCL: Center of mass = 5.39417401463 0.150697278319 -1.36852154328 TCL: atom 1: phi = -0.318730141862 TCL: Center of mass = 5.3972569469 0.150284028399 -1.36879929164 TCL: atom 1: phi = -0.318883182915 TCL: Center of mass = 5.40032417015 0.149874501807 -1.36906651252 TCL: atom 1: phi = -0.318844551029 TCL: Center of mass = 5.40338804622 0.149467027222 -1.36934041776 TCL: atom 1: phi = -0.318997741413 TCL: Center of mass = 5.40645214393 0.149044334332 -1.36959162385 TCL: atom 1: phi = -0.318946841581 TCL: Center of mass = 5.40951503193 0.148627652478 -1.36984322815 TCL: atom 1: phi = -0.319165371211 TCL: Center of mass = 5.41258037463 0.148215152959 -1.37009171618 TCL: atom 1: phi = -0.319265886069 TCL: Center of mass = 5.41564589789 0.147794007734 -1.37034041376 TCL: atom 1: phi = -0.319614431011 TCL: Center of mass = 5.41871975802 0.147359235479 -1.37058527015 TCL: atom 1: phi = -0.319843322854 TIMING: 2900 CPU: 490.875, 0.170544/step Wall: 600.53, 0.208763/step, 0.991623 hours remaining, 20303 kB of memory in use. ENERGY: 2900 386.3337 729.9093 402.0810 37.5681 -2750.1867 -243.2968 0.0000 0.0000 1149.7543 -287.8371 313.3402 -279.0946 -278.9617 314.0721 131.3188 140.9030 64000.0000 340.7444 341.6426 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900 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 TCL: Center of mass = 5.42179869725 0.14691732878 -1.37082510662 TCL: atom 1: phi = -0.320249198768 TCL: Center of mass = 5.42487597862 0.14647463757 -1.37107294032 TCL: atom 1: phi = -0.320361378748 TCL: Center of mass = 5.42794793405 0.146026949739 -1.37131910055 TCL: atom 1: phi = -0.320561209066 TCL: Center of mass = 5.43102442623 0.145589210587 -1.37157191096 TCL: atom 1: phi = -0.320491171976 TCL: Center of mass = 5.43410937195 0.145161342921 -1.37183546559 TCL: atom 1: phi = -0.320605137522 TCL: Center of mass = 5.43720091503 0.144741290087 -1.37209289351 TCL: atom 1: phi = -0.320495567355 TCL: Center of mass = 5.44027879883 0.144327176845 -1.37235545554 TCL: atom 1: phi = -0.320555882168 TCL: Center of mass = 5.44335422922 0.143920954541 -1.3726156965 TCL: atom 1: phi = -0.320404083069 TCL: Center of mass = 5.44643573321 0.143512969378 -1.37287192702 TCL: atom 1: phi = -0.320454116336 TCL: Center of mass = 5.4495086315 0.143110276778 -1.37313562915 TCL: atom 1: phi = -0.320238132414 TCL: Center of mass = 5.45256390569 0.142706314566 -1.37340920955 TCL: atom 1: phi = -0.320052853422 TCL: Center of mass = 5.45562869617 0.142308060281 -1.37368595901 TCL: atom 1: phi = -0.319410622888 TCL: Center of mass = 5.45870761895 0.141910031761 -1.37397458565 TCL: atom 1: phi = -0.318810618734 TCL: Center of mass = 5.46179562834 0.141511548527 -1.37427659654 TCL: atom 1: phi = -0.317788429027 TCL: Center of mass = 5.46488562465 0.141111764694 -1.37458230976 TCL: atom 1: phi = -0.316914447888 TCL: Center of mass = 5.46797493685 0.140713127854 -1.37489572517 TCL: atom 1: phi = -0.315752280117 TCL: Center of mass = 5.47107069029 0.140309389612 -1.37520929791 TCL: atom 1: phi = -0.314886877276 TCL: Center of mass = 5.47415191629 0.139916643379 -1.3755237647 TCL: atom 1: phi = -0.313788227808 TCL: Center of mass = 5.47723065407 0.139535216596 -1.37583732916 TCL: atom 1: phi = -0.313020009515 TCL: Center of mass = 5.48030839957 0.139157177549 -1.37614365555 TCL: atom 1: phi = -0.312023663158 TCL: Center of mass = 5.48338286224 0.138767578023 -1.37643828339 TCL: atom 1: phi = -0.311353566151 TCL: Center of mass = 5.48646266356 0.138382049671 -1.37672909254 TCL: atom 1: phi = -0.31037804908 TCL: Center of mass = 5.48953819517 0.137996388675 -1.37703413296 TCL: atom 1: phi = -0.309708015579 TCL: Center of mass = 5.49261877393 0.137601363246 -1.37733768508 TCL: atom 1: phi = -0.308740454174 TCL: Center of mass = 5.49569294033 0.137215607335 -1.37765097192 TCL: atom 1: phi = -0.308071840899 TCL: Center of mass = 5.49876680841 0.136837210979 -1.37795472639 TCL: atom 1: phi = -0.307151915918 TCL: Center of mass = 5.5018618041 0.136468466358 -1.37825989077 TCL: atom 1: phi = -0.306583166091 TCL: Center of mass = 5.50495355546 0.136100259997 -1.37856462809 TCL: atom 1: phi = -0.305803479277 TCL: Center of mass = 5.50803686833 0.135740202078 -1.37886631375 TCL: atom 1: phi = -0.305450480068 TCL: Center of mass = 5.51112293483 0.135380410823 -1.37917238909 TCL: atom 1: phi = -0.304836456474 TCL: Center of mass = 5.51422035533 0.135023582108 -1.37947612183 TCL: atom 1: phi = -0.304584665565 TCL: Center of mass = 5.51730765378 0.134660575669 -1.37976904565 TCL: atom 1: phi = -0.304042456951 TCL: Center of mass = 5.52038932939 0.134293568809 -1.38005787889 TCL: atom 1: phi = -0.303881438708 TCL: Center of mass = 5.5234652764 0.133921624138 -1.38033850176 TCL: atom 1: phi = -0.303455716196 TCL: Center of mass = 5.52654122135 0.133557665866 -1.38060588452 TCL: atom 1: phi = -0.303497191154 TCL: Center of mass = 5.52962088332 0.133193020267 -1.38087701852 TCL: atom 1: phi = -0.303450643742 TCL: Center of mass = 5.53269043245 0.132830281969 -1.38114323406 TCL: atom 1: phi = -0.303989493519 TCL: Center of mass = 5.53576028693 0.132468853843 -1.38141192418 TCL: atom 1: phi = -0.30458550641 TCL: Center of mass = 5.53883551764 0.132109168451 -1.3816826205 TCL: atom 1: phi = -0.305804307793 TCL: Center of mass = 5.54190162756 0.131743597068 -1.38196183253 TCL: atom 1: phi = -0.307030289454 TCL: Center of mass = 5.54497277166 0.131377053751 -1.38223711408 TCL: atom 1: phi = -0.308683293408 TCL: Center of mass = 5.54804577404 0.131003393217 -1.3825110704 TCL: atom 1: phi = -0.310203616589 TCL: Center of mass = 5.55109703439 0.130630397098 -1.38277729148 TCL: atom 1: phi = -0.312071971533 TCL: Center of mass = 5.55414550759 0.130252394626 -1.38304635558 TCL: atom 1: phi = -0.313765625235 TCL: Center of mass = 5.55719627118 0.129866833154 -1.38332421611 TCL: atom 1: phi = -0.315775491062 TCL: Center of mass = 5.56024560021 0.129490270489 -1.38359421679 TCL: atom 1: phi = -0.317608726621 TCL: Center of mass = 5.56330618955 0.129109566333 -1.38387327575 TCL: atom 1: phi = -0.319631199662 TCL: Center of mass = 5.56636017223 0.128717162799 -1.38415707868 TCL: atom 1: phi = -0.321426384532 TCL: Center of mass = 5.56940770902 0.128315074978 -1.38443981098 TCL: atom 1: phi = -0.323378697085 TCL: Center of mass = 5.57244730203 0.127921975382 -1.38473133931 TCL: atom 1: phi = -0.325004027281 TCL: Center of mass = 5.5754875741 0.12751746368 -1.38502570251 TCL: atom 1: phi = -0.326679165054 TCL: Center of mass = 5.57852418647 0.127112726579 -1.38531879709 TCL: atom 1: phi = -0.328003867454 TCL: Center of mass = 5.5815595391 0.126708202788 -1.38561409943 TCL: atom 1: phi = -0.329319622388 TCL: Center of mass = 5.58460401749 0.126300779217 -1.38591637837 TCL: atom 1: phi = -0.330340288479 TCL: Center of mass = 5.58764974038 0.125888623088 -1.38623071829 TCL: atom 1: phi = -0.331384543186 TCL: Center of mass = 5.59068906944 0.125471058733 -1.38653498075 TCL: atom 1: phi = -0.332192957785 TCL: Center of mass = 5.59371628953 0.125058372041 -1.3868344513 TCL: atom 1: phi = -0.333107138564 TCL: Center of mass = 5.5967493724 0.124642582441 -1.38712594322 TCL: atom 1: phi = -0.333871153912 TCL: Center of mass = 5.59977628127 0.124221180046 -1.38743047175 TCL: atom 1: phi = -0.334753747472 TCL: Center of mass = 5.60279422517 0.123803329765 -1.38772919107 TCL: atom 1: phi = -0.335480272646 TCL: Center of mass = 5.60580815278 0.123390466949 -1.38802480828 TCL: atom 1: phi = -0.336383105553 TCL: Center of mass = 5.60881797904 0.122975661925 -1.38830922402 TCL: atom 1: phi = -0.337127431644 TCL: Center of mass = 5.61182614655 0.122558823802 -1.38859700086 TCL: atom 1: phi = -0.337995208773 TCL: Center of mass = 5.61483646555 0.122142117031 -1.38888883061 TCL: atom 1: phi = -0.338675505485 TCL: Center of mass = 5.61785047188 0.121718259225 -1.38917904475 TCL: atom 1: phi = -0.339405629956 TCL: Center of mass = 5.6208611483 0.121299374615 -1.38947501432 TCL: atom 1: phi = -0.339867869336 TCL: Center of mass = 5.62387467111 0.120875835805 -1.38978675886 TCL: atom 1: phi = -0.340358013241 TCL: Center of mass = 5.62689111277 0.120461479789 -1.39009055453 TCL: atom 1: phi = -0.340547771492 TCL: Center of mass = 5.62992173747 0.120039814528 -1.39040109736 TCL: atom 1: phi = -0.340787857684 TCL: Center of mass = 5.63294594319 0.119601406731 -1.39071616604 TCL: atom 1: phi = -0.340697277796 TCL: Center of mass = 5.63597227668 0.119163784247 -1.3910279058 TCL: atom 1: phi = -0.340631881469 TCL: Center of mass = 5.63899699351 0.118736066127 -1.39133727732 TCL: atom 1: phi = -0.340217770313 TCL: Center of mass = 5.64202444747 0.118314600637 -1.39164540734 TCL: atom 1: phi = -0.339802769294 TCL: Center of mass = 5.64505372605 0.117903269131 -1.39195675148 TCL: atom 1: phi = -0.339050618067 TCL: Center of mass = 5.64809368032 0.117498629536 -1.39224669671 TCL: atom 1: phi = -0.338402435098 TCL: Center of mass = 5.65112413717 0.117113767514 -1.39254407808 TCL: atom 1: phi = -0.337455292946 TCL: Center of mass = 5.65415243194 0.116724715427 -1.39283835821 TCL: atom 1: phi = -0.336748688677 TCL: Center of mass = 5.6571743864 0.11633968938 -1.39313569546 TCL: atom 1: phi = -0.335852962451 TCL: Center of mass = 5.66018936851 0.115947532526 -1.39345474229 TCL: atom 1: phi = -0.335251096323 TCL: Center of mass = 5.66321280706 0.115549599557 -1.39377005496 TCL: atom 1: phi = -0.334542865537 TCL: Center of mass = 5.66623416965 0.115146572727 -1.39409671555 TCL: atom 1: phi = -0.334173317526 TCL: Center of mass = 5.66925563511 0.114743526854 -1.39442688404 TCL: atom 1: phi = -0.33367488445 TCL: Center of mass = 5.67228218434 0.114344706524 -1.39474653684 TCL: atom 1: phi = -0.333496048647 TCL: Center of mass = 5.67531479659 0.113947443425 -1.39507211846 TCL: atom 1: phi = -0.333102346116 TCL: Center of mass = 5.67834104836 0.113546840983 -1.39538414922 TCL: atom 1: phi = -0.333046201181 TCL: Center of mass = 5.68136303907 0.113143231095 -1.3957037716 TCL: atom 1: phi = -0.332757588457 TCL: Center of mass = 5.68438381012 0.112741659038 -1.39602958375 TCL: atom 1: phi = -0.332741349795 TCL: Center of mass = 5.68739799749 0.112329365136 -1.39635165091 TCL: atom 1: phi = -0.332380969132 TCL: Center of mass = 5.69041226133 0.111923043109 -1.39666146407 TCL: atom 1: phi = -0.332353100687 TCL: Center of mass = 5.69343331641 0.111537892016 -1.39696741007 TCL: atom 1: phi = -0.332037675827 TCL: Center of mass = 5.69645837541 0.111153301541 -1.39728016701 TCL: atom 1: phi = -0.331967755057 TCL: Center of mass = 5.69948827451 0.110770562654 -1.39758767914 TCL: atom 1: phi = -0.331595481671 TCL: Center of mass = 5.70253114378 0.110386174013 -1.39788141566 TCL: atom 1: phi = -0.331536819903 TCL: Center of mass = 5.70557095357 0.110007073278 -1.39816763609 TCL: atom 1: phi = -0.331210609427 TCL: Center of mass = 5.70860559266 0.109639038079 -1.39845270018 TCL: atom 1: phi = -0.331271502085 TCL: Center of mass = 5.71164553838 0.109276360806 -1.39873686287 TCL: atom 1: phi = -0.331106957323 TCL: Center of mass = 5.71467571638 0.108922709426 -1.39902335328 TCL: atom 1: phi = -0.331348815525 TCL: Center of mass = 5.71770697876 0.108558341637 -1.39931439621 TCL: atom 1: phi = -0.33138499411 TCL: Center of mass = 5.72073322624 0.108214832891 -1.39960487555 TCL: atom 1: phi = -0.331793375846 TCL: Center of mass = 5.72376984824 0.107865835778 -1.39990203107 TCL: atom 1: phi = -0.331989382752 TIMING: 3000 CPU: 507.829, 0.169534/step Wall: 621.302, 0.207727/step, 0.980932 hours remaining, 20305 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 402.8253 669.7742 404.1743 49.6785 -2787.4696 -193.3316 0.0000 0.0000 1161.0142 -293.3346 316.4088 -284.9684 -283.5643 313.3149 244.8713 213.7615 64000.0000 25.0924 31.1587 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000 WRITING COORDINATES TO DCD FILE AT STEP 3000 WRITING COORDINATES TO RESTART FILE AT STEP 3000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 5.72680222178 0.107510997029 -1.4001981957 TCL: atom 1: phi = -0.332659703505 TCL: Center of mass = 5.72985386165 0.107157809337 -1.40048144254 TCL: atom 1: phi = -0.333171880867 TCL: Center of mass = 5.73290869512 0.106802044047 -1.40077144717 TCL: atom 1: phi = -0.334153979887 TCL: Center of mass = 5.73595334798 0.106452764904 -1.40106142148 TCL: atom 1: phi = -0.334892103429 TCL: Center of mass = 5.73899669886 0.106092248217 -1.40134912486 TCL: atom 1: phi = -0.335950242677 TCL: Center of mass = 5.74203718436 0.10573170308 -1.40164595539 TCL: atom 1: phi = -0.336684313472 TCL: Center of mass = 5.74506781748 0.10537356748 -1.40194227894 TCL: atom 1: phi = -0.337754082401 TCL: Center of mass = 5.74810352134 0.10500885657 -1.40224241643 TCL: atom 1: phi = -0.338441297918 TCL: Center of mass = 5.75113942449 0.104649294755 -1.40254341208 TCL: atom 1: phi = -0.339387496987 TCL: Center of mass = 5.7541767164 0.104290709209 -1.40284033869 TCL: atom 1: phi = -0.339902284456 TCL: Center of mass = 5.75721070138 0.10393726445 -1.40314020864 TCL: atom 1: phi = -0.340576689701 TCL: Center of mass = 5.76024122863 0.103596662693 -1.40343206394 TCL: atom 1: phi = -0.340849987932 TCL: Center of mass = 5.76327610134 0.103251949966 -1.40371745108 TCL: atom 1: phi = -0.34125405816 TCL: Center of mass = 5.76631096256 0.102904653053 -1.40401170319 TCL: atom 1: phi = -0.341231105362 TCL: Center of mass = 5.76934485079 0.102567546627 -1.40430541113 TCL: atom 1: phi = -0.341422448728 TCL: Center of mass = 5.77239150444 0.102235418937 -1.40460185228 TCL: atom 1: phi = -0.341326855518 TCL: Center of mass = 5.775443243 0.101902374046 -1.40490291547 TCL: atom 1: phi = -0.341478595519 TCL: Center of mass = 5.77849622787 0.101571561903 -1.40520194786 TCL: atom 1: phi = -0.341312052353 TCL: Center of mass = 5.7815622459 0.101243630517 -1.4055047341 TCL: atom 1: phi = -0.341434696676 TCL: Center of mass = 5.78462893877 0.100922106971 -1.4057970666 TCL: atom 1: phi = -0.341278008466 TCL: Center of mass = 5.78769788978 0.100603049941 -1.40609812948 TCL: atom 1: phi = -0.341472546271 TCL: Center of mass = 5.79077164432 0.100276422957 -1.40640592832 TCL: atom 1: phi = -0.341435149783 TCL: Center of mass = 5.79383766563 0.0999572080299 -1.40670879644 TCL: atom 1: phi = -0.341751745089 TCL: Center of mass = 5.79691228964 0.0996415776722 -1.4070173974 TCL: atom 1: phi = -0.34186183683 TCL: Center of mass = 5.79999248735 0.0993247912884 -1.40732961173 TCL: atom 1: phi = -0.342299687377 TCL: Center of mass = 5.80307747813 0.0990119077561 -1.40762680945 TCL: atom 1: phi = -0.34250672566 TCL: Center of mass = 5.80617382111 0.0987043542371 -1.40793999554 TCL: atom 1: phi = -0.342904794916 TCL: Center of mass = 5.80928517818 0.098406374496 -1.40824903747 TCL: atom 1: phi = -0.343052018671 TCL: Center of mass = 5.81237280538 0.0981138306169 -1.40854847989 TCL: atom 1: phi = -0.343311338292 TCL: Center of mass = 5.81547391557 0.097831808133 -1.40884290679 TCL: atom 1: phi = -0.34327258302 TCL: Center of mass = 5.81856934349 0.0975484724605 -1.4091338827 TCL: atom 1: phi = -0.343341092568 TCL: Center of mass = 5.82165669054 0.0972714089064 -1.40940649864 TCL: atom 1: phi = -0.343103298564 TCL: Center of mass = 5.8247374691 0.0969926599789 -1.40968226508 TCL: atom 1: phi = -0.342974832972 TCL: Center of mass = 5.82782346729 0.0967107432449 -1.40995680939 TCL: atom 1: phi = -0.342536907913 TCL: Center of mass = 5.83091174086 0.0964251354428 -1.41023129038 TCL: atom 1: phi = -0.342261510394 TCL: Center of mass = 5.83399609937 0.0961288935709 -1.41050626209 TCL: atom 1: phi = -0.341775834544 TCL: Center of mass = 5.83708104059 0.0958249682517 -1.41079731144 TCL: atom 1: phi = -0.341420503914 TCL: Center of mass = 5.84016011613 0.0955123731703 -1.41107787919 TCL: atom 1: phi = -0.340895496407 TCL: Center of mass = 5.84322659721 0.0951958662863 -1.41136461583 TCL: atom 1: phi = -0.340647300984 TCL: Center of mass = 5.84628839804 0.0948704150265 -1.41165476407 TCL: atom 1: phi = -0.340200982772 TCL: Center of mass = 5.84934392078 0.0945452250632 -1.41195649286 TCL: atom 1: phi = -0.339933571106 TCL: Center of mass = 5.85240218943 0.094213187164 -1.41225658971 TCL: atom 1: phi = -0.339465080418 TCL: Center of mass = 5.85547247398 0.0938769612332 -1.41254286807 TCL: atom 1: phi = -0.339199817041 TCL: Center of mass = 5.85853893621 0.0935455685453 -1.41281845116 TCL: atom 1: phi = -0.338705383879 TCL: Center of mass = 5.86161584573 0.0932167208863 -1.41309276564 TCL: atom 1: phi = -0.338457780782 TCL: Center of mass = 5.8646947053 0.0928849891938 -1.41337039546 TCL: atom 1: phi = -0.337969590157 TCL: Center of mass = 5.86775977251 0.092570617145 -1.41364489434 TCL: atom 1: phi = -0.337683818318 TCL: Center of mass = 5.87083144349 0.0922485760421 -1.41391748335 TCL: atom 1: phi = -0.337160478849 TCL: Center of mass = 5.87389968031 0.0919295969491 -1.41418779415 TCL: atom 1: phi = -0.336870083153 TCL: Center of mass = 5.87696221376 0.091605769525 -1.4144693702 TCL: atom 1: phi = -0.33626912189 TCL: Center of mass = 5.8800387476 0.0912720256415 -1.41475302256 TCL: atom 1: phi = -0.33584753021 TCL: Center of mass = 5.88311962867 0.0909398190197 -1.41505049301 TCL: atom 1: phi = -0.335190302975 TCL: Center of mass = 5.88619801487 0.0905977584584 -1.41536311682 TCL: atom 1: phi = -0.334779139688 TCL: Center of mass = 5.88926728949 0.090262941143 -1.41568895844 TCL: atom 1: phi = -0.334224622779 TCL: Center of mass = 5.89231793454 0.0899176982143 -1.41601411886 TCL: atom 1: phi = -0.333987432082 TCL: Center of mass = 5.89535757864 0.0895790717593 -1.41634567237 TCL: atom 1: phi = -0.333604903568 TCL: Center of mass = 5.89840150798 0.0892382334585 -1.41667656903 TCL: atom 1: phi = -0.333591633657 TCL: Center of mass = 5.90145178754 0.0889124483974 -1.41701608183 TCL: atom 1: phi = -0.333330660012 TCL: Center of mass = 5.90451283031 0.0885850484408 -1.41735520129 TCL: atom 1: phi = -0.333356821646 TCL: Center of mass = 5.9075674588 0.0882635883126 -1.4176885156 TCL: atom 1: phi = -0.333190228683 TCL: Center of mass = 5.91062399299 0.0879404091391 -1.41801400129 TCL: atom 1: phi = -0.333391877886 TCL: Center of mass = 5.9136905067 0.0876144855533 -1.41832192064 TCL: atom 1: phi = -0.33340606765 TCL: Center of mass = 5.91677285704 0.0872974040973 -1.4186202951 TCL: atom 1: phi = -0.333797867493 TCL: Center of mass = 5.91985662862 0.086982907008 -1.41892044868 TCL: atom 1: phi = -0.334112174672 TCL: Center of mass = 5.92294083976 0.0866693214278 -1.41922577543 TCL: atom 1: phi = -0.334817937618 TCL: Center of mass = 5.92601773653 0.0863702747025 -1.41953111253 TCL: atom 1: phi = -0.335362858675 TCL: Center of mass = 5.92911008968 0.0860652899938 -1.41983579037 TCL: atom 1: phi = -0.336204812519 TCL: Center of mass = 5.93219014679 0.0857570955777 -1.42014564459 TCL: atom 1: phi = -0.336743639018 TCL: Center of mass = 5.93526655205 0.0854445392798 -1.42045014735 TCL: atom 1: phi = -0.337517082835 TCL: Center of mass = 5.93833605452 0.0851344945515 -1.4207633536 TCL: atom 1: phi = -0.337924663317 TCL: Center of mass = 5.94140926852 0.0848197556704 -1.4210759129 TCL: atom 1: phi = -0.338470145156 TCL: Center of mass = 5.94448262534 0.0845062208861 -1.42138431639 TCL: atom 1: phi = -0.338741827973 TCL: Center of mass = 5.94756178816 0.0841926148199 -1.4216827681 TCL: atom 1: phi = -0.339215300617 TCL: Center of mass = 5.95063751157 0.0838770687832 -1.42197509446 TCL: atom 1: phi = -0.339434798561 TCL: Center of mass = 5.95371506386 0.0835669357554 -1.42226356439 TCL: atom 1: phi = -0.33986307657 TCL: Center of mass = 5.95679072636 0.0832471853377 -1.42255540675 TCL: atom 1: phi = -0.34012398562 TCL: Center of mass = 5.95987704359 0.082929400318 -1.42283319265 TCL: atom 1: phi = -0.340658425618 TCL: Center of mass = 5.96297266294 0.0826171971909 -1.42311142031 TCL: atom 1: phi = -0.340956942952 TCL: Center of mass = 5.96609247747 0.0823046297687 -1.42339005684 TCL: atom 1: phi = -0.341500119181 TCL: Center of mass = 5.96920750009 0.0819917855499 -1.42367921358 TCL: atom 1: phi = -0.34184718459 TCL: Center of mass = 5.97231956228 0.0816852568828 -1.42396582662 TCL: atom 1: phi = -0.342385849924 TCL: Center of mass = 5.97544214782 0.0813777037097 -1.42424752514 TCL: atom 1: phi = -0.342611533488 TCL: Center of mass = 5.97856413821 0.0810644505902 -1.42452548412 TCL: atom 1: phi = -0.342949038649 TCL: Center of mass = 5.98168343467 0.0807471242762 -1.42480679455 TCL: atom 1: phi = -0.343090934851 TCL: Center of mass = 5.98479453439 0.0804361523522 -1.42509269517 TCL: atom 1: phi = -0.343437335243 TCL: Center of mass = 5.98792548366 0.0801278806224 -1.42537567888 TCL: atom 1: phi = -0.343564880185 TCL: Center of mass = 5.99104773691 0.0798174535901 -1.42565543441 TCL: atom 1: phi = -0.34380639252 TCL: Center of mass = 5.99416705926 0.0795128097324 -1.42592862839 TCL: atom 1: phi = -0.343747407766 TCL: Center of mass = 5.9972933921 0.0792096182174 -1.42619819662 TCL: atom 1: phi = -0.343709331031 TCL: Center of mass = 6.00042547125 0.0789083501202 -1.42648982846 TCL: atom 1: phi = -0.343193270824 TCL: Center of mass = 6.00355120262 0.0786011851752 -1.42678499904 TCL: atom 1: phi = -0.342642075142 TCL: Center of mass = 6.006669077 0.0783066828634 -1.42707425329 TCL: atom 1: phi = -0.341649878082 TCL: Center of mass = 6.00977949548 0.0780160792881 -1.42735686206 TCL: atom 1: phi = -0.340703639465 TCL: Center of mass = 6.01289339428 0.0777234893227 -1.42764157838 TCL: atom 1: phi = -0.339439510081 TCL: Center of mass = 6.0160156881 0.0774183246769 -1.42791485327 TCL: atom 1: phi = -0.338331030102 TCL: Center of mass = 6.0191389707 0.0771002783282 -1.42820305975 TCL: atom 1: phi = -0.337013495895 TCL: Center of mass = 6.02226175271 0.0767841044103 -1.42847922992 TCL: atom 1: phi = -0.335974006567 TCL: Center of mass = 6.02537704391 0.0764676250677 -1.42875722019 TCL: atom 1: phi = -0.33473934005 TCL: Center of mass = 6.02849366981 0.0761565802534 -1.42903535858 TCL: atom 1: phi = -0.333865119079 TCL: Center of mass = 6.03161849145 0.0758528184393 -1.42930299438 TCL: atom 1: phi = -0.332763729436 TIMING: 3100 CPU: 524.807, 0.169784/step Wall: 642.088, 0.207854/step, 0.975758 hours remaining, 20307 kB of memory in use. ENERGY: 3100 398.9779 692.9248 414.3461 54.0411 -2791.3203 -198.5807 0.0000 0.0000 1133.4047 -296.2065 308.8845 -287.1654 -288.4259 314.1988 536.2464 600.1871 64000.0000 257.9081 253.8604 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100 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 TCL: Center of mass = 6.03474144619 0.0755548863462 -1.42956682373 TCL: atom 1: phi = -0.332037635231 TCL: Center of mass = 6.03787322893 0.0752528647588 -1.42982572895 TCL: atom 1: phi = -0.331135278987 TCL: Center of mass = 6.04099728659 0.0749570826315 -1.43008707226 TCL: atom 1: phi = -0.330644211562 TCL: Center of mass = 6.04412181588 0.074663980644 -1.43035867646 TCL: atom 1: phi = -0.329963982505 TCL: Center of mass = 6.04725850289 0.0743590179183 -1.43062510569 TCL: atom 1: phi = -0.329883382017 TCL: Center of mass = 6.05039280218 0.074059887132 -1.43088827988 TCL: atom 1: phi = -0.329677933129 TCL: Center of mass = 6.05351973783 0.0737626574161 -1.43116465354 TCL: atom 1: phi = -0.330000164855 TCL: Center of mass = 6.05663365364 0.0734854834412 -1.43144058147 TCL: atom 1: phi = -0.330135229621 TCL: Center of mass = 6.05974174011 0.0732062874157 -1.43170850801 TCL: atom 1: phi = -0.330644477266 TCL: Center of mass = 6.06284899291 0.0729187439719 -1.43196368854 TCL: atom 1: phi = -0.330854960996 TCL: Center of mass = 6.06595452503 0.0726263493419 -1.43221140179 TCL: atom 1: phi = -0.331339779186 TCL: Center of mass = 6.06906129875 0.0723356792167 -1.43246391639 TCL: atom 1: phi = -0.33148668303 TCL: Center of mass = 6.07216955981 0.072040991275 -1.43272632485 TCL: atom 1: phi = -0.331934262277 TCL: Center of mass = 6.07527413884 0.0717493577196 -1.43299269207 TCL: atom 1: phi = -0.332144387856 TCL: Center of mass = 6.0783877212 0.0714649950547 -1.43326982235 TCL: atom 1: phi = -0.3326942329 TCL: Center of mass = 6.0814888453 0.0711853207555 -1.43355670626 TCL: atom 1: phi = -0.332975197105 TCL: Center of mass = 6.08458529816 0.0709114711051 -1.43385129294 TCL: atom 1: phi = -0.33371019742 TCL: Center of mass = 6.08767208664 0.0706432550561 -1.43414260551 TCL: atom 1: phi = -0.334190510808 TCL: Center of mass = 6.09075881183 0.0703722938244 -1.4344344021 TCL: atom 1: phi = -0.335088991139 TCL: Center of mass = 6.09383835277 0.070115293851 -1.43472656722 TCL: atom 1: phi = -0.335692637596 TCL: Center of mass = 6.09692247846 0.0698539234003 -1.43502198097 TCL: atom 1: phi = -0.336642005867 TCL: Center of mass = 6.100010323 0.0695891395849 -1.43530696433 TCL: atom 1: phi = -0.337300969383 TCL: Center of mass = 6.10309551142 0.0693334250176 -1.43560091388 TCL: atom 1: phi = -0.338252137688 TCL: Center of mass = 6.10618454549 0.0690694093603 -1.43589088694 TCL: atom 1: phi = -0.339002356022 TCL: Center of mass = 6.10926469001 0.0688053999735 -1.43617612048 TCL: atom 1: phi = -0.340078417907 TCL: Center of mass = 6.11234912179 0.0685454056322 -1.43646545888 TCL: atom 1: phi = -0.340957929507 TCL: Center of mass = 6.11543832007 0.0682858095757 -1.43675060456 TCL: atom 1: phi = -0.342189604178 TCL: Center of mass = 6.11851589284 0.0680170464159 -1.43704854004 TCL: atom 1: phi = -0.343157147335 TCL: Center of mass = 6.12158521405 0.0677429151648 -1.43734007345 TCL: atom 1: phi = -0.344312382166 TCL: Center of mass = 6.12464118117 0.0674675615859 -1.43761974743 TCL: atom 1: phi = -0.345083316277 TCL: Center of mass = 6.12769990079 0.0671813450672 -1.43790593272 TCL: atom 1: phi = -0.345861435131 TCL: Center of mass = 6.13075601823 0.0669035463641 -1.43818328997 TCL: atom 1: phi = -0.346248647281 TCL: Center of mass = 6.13381346702 0.0666228311825 -1.43846274389 TCL: atom 1: phi = -0.346709588497 TCL: Center of mass = 6.13686652836 0.0663447670693 -1.43873183491 TCL: atom 1: phi = -0.346815654742 TCL: Center of mass = 6.13992535225 0.0660541467954 -1.43899982674 TCL: atom 1: phi = -0.347056992159 TCL: Center of mass = 6.14298706653 0.0657602466133 -1.43926960659 TCL: atom 1: phi = -0.347031294617 TCL: Center of mass = 6.14604460937 0.0654647663686 -1.4395503468 TCL: atom 1: phi = -0.347284469124 TCL: Center of mass = 6.14910313215 0.0651606397379 -1.439819214 TCL: atom 1: phi = -0.347389861151 TCL: Center of mass = 6.15216452769 0.0648531509274 -1.44007991318 TCL: atom 1: phi = -0.347783891456 TCL: Center of mass = 6.15522426935 0.064543756265 -1.44033899928 TCL: atom 1: phi = -0.347991863836 TCL: Center of mass = 6.15827957976 0.0642364711558 -1.4405991918 TCL: atom 1: phi = -0.348406081939 TCL: Center of mass = 6.16133677812 0.0639440257691 -1.44087219448 TCL: atom 1: phi = -0.34862360536 TCL: Center of mass = 6.16439824321 0.0636554694429 -1.44115066755 TCL: atom 1: phi = -0.349050718089 TCL: Center of mass = 6.16746531141 0.0633635443707 -1.4414187875 TCL: atom 1: phi = -0.349219703196 TCL: Center of mass = 6.17052703531 0.0630627131316 -1.44169487067 TCL: atom 1: phi = -0.349661489395 TCL: Center of mass = 6.17358157965 0.0627752952377 -1.4419677568 TCL: atom 1: phi = -0.349907128099 TCL: Center of mass = 6.17663967945 0.0624875300333 -1.4422367221 TCL: atom 1: phi = -0.350387427094 TCL: Center of mass = 6.17969023045 0.0622045281599 -1.44250387069 TCL: atom 1: phi = -0.350683255968 TCL: Center of mass = 6.18272901244 0.0619165287337 -1.44276234357 TCL: atom 1: phi = -0.351142940916 TCL: Center of mass = 6.18575703426 0.0616168046516 -1.4430230101 TCL: atom 1: phi = -0.351360901631 TCL: Center of mass = 6.18879054313 0.0613271972714 -1.44329393117 TCL: atom 1: phi = -0.351620920113 TCL: Center of mass = 6.19181786528 0.0610316271433 -1.44355927405 TCL: atom 1: phi = -0.351526983413 TCL: Center of mass = 6.1948465107 0.0607382794578 -1.44383358224 TCL: atom 1: phi = -0.351467454341 TCL: Center of mass = 6.19787103876 0.0604386175007 -1.4440945626 TCL: atom 1: phi = -0.351056628578 TCL: Center of mass = 6.20089122487 0.0601382372406 -1.4443523023 TCL: atom 1: phi = -0.350768684592 TCL: Center of mass = 6.20389994493 0.0598385891095 -1.44461666334 TCL: atom 1: phi = -0.350258206772 TCL: Center of mass = 6.20690686088 0.0595394753696 -1.44488100063 TCL: atom 1: phi = -0.350043444732 TCL: Center of mass = 6.20990635695 0.0592421935703 -1.44513683687 TCL: atom 1: phi = -0.349666416356 TCL: Center of mass = 6.21288946024 0.0589397310958 -1.44538797127 TCL: atom 1: phi = -0.349553437374 TCL: Center of mass = 6.21587183095 0.0586402454671 -1.4456407165 TCL: atom 1: phi = -0.349213020825 TCL: Center of mass = 6.21885713646 0.0583436303104 -1.44589552491 TCL: atom 1: phi = -0.349124366202 TCL: Center of mass = 6.22185351367 0.0580511812311 -1.44615260633 TCL: atom 1: phi = -0.348721446322 TCL: Center of mass = 6.22484210185 0.0577596228126 -1.44641750307 TCL: atom 1: phi = -0.348524597837 TCL: Center of mass = 6.22783233204 0.0574790630201 -1.44667686684 TCL: atom 1: phi = -0.348019255088 TCL: Center of mass = 6.23081371072 0.0571971201681 -1.44693880713 TCL: atom 1: phi = -0.347857898655 TCL: Center of mass = 6.23379225101 0.0569242140844 -1.44719589589 TCL: atom 1: phi = -0.347395842135 TCL: Center of mass = 6.23677179919 0.0566452970457 -1.4474479899 TCL: atom 1: phi = -0.34728386137 TCL: Center of mass = 6.23976001598 0.0563716491288 -1.44770614683 TCL: atom 1: phi = -0.346931814161 TCL: Center of mass = 6.24273838846 0.0560965760876 -1.4479672423 TCL: atom 1: phi = -0.346893175854 TCL: Center of mass = 6.24571765209 0.0558206819889 -1.4482318397 TCL: atom 1: phi = -0.346546730983 TCL: Center of mass = 6.24869099641 0.0555266427857 -1.4485023041 TCL: atom 1: phi = -0.346444661573 TCL: Center of mass = 6.25166684188 0.0552328583262 -1.44876160312 TCL: atom 1: phi = -0.346045624332 TCL: Center of mass = 6.25464533097 0.0549425372419 -1.44902577322 TCL: atom 1: phi = -0.34587610541 TCL: Center of mass = 6.25761648613 0.0546628977468 -1.44928510768 TCL: atom 1: phi = -0.345404078566 TCL: Center of mass = 6.26059493912 0.0543813755208 -1.44955073967 TCL: atom 1: phi = -0.345273918284 TCL: Center of mass = 6.26356823125 0.054088969192 -1.44981368093 TCL: atom 1: phi = -0.344938643553 TCL: Center of mass = 6.26653197493 0.0537904558104 -1.45008809155 TCL: atom 1: phi = -0.345050203197 TCL: Center of mass = 6.26950169836 0.0534980138194 -1.45037064049 TCL: atom 1: phi = -0.344977309063 TCL: Center of mass = 6.27245712178 0.0532007194009 -1.45066863841 TCL: atom 1: phi = -0.345323248775 TCL: Center of mass = 6.27541058247 0.0529094886694 -1.45097030719 TCL: atom 1: phi = -0.345547645453 TCL: Center of mass = 6.27837435804 0.0526205318524 -1.4512784892 TCL: atom 1: phi = -0.346163801041 TCL: Center of mass = 6.28133549357 0.0523293125556 -1.45158590339 TCL: atom 1: phi = -0.346613560045 TCL: Center of mass = 6.28430341328 0.0520346086406 -1.45189705258 TCL: atom 1: phi = -0.34740635404 TCL: Center of mass = 6.28727484897 0.0517401208716 -1.45221824511 TCL: atom 1: phi = -0.348006561776 TCL: Center of mass = 6.29024583763 0.0514400489079 -1.45254177468 TCL: atom 1: phi = -0.348891826764 TCL: Center of mass = 6.29321661838 0.0511460195988 -1.45286474563 TCL: atom 1: phi = -0.349625112118 TCL: Center of mass = 6.29619541878 0.0508589171335 -1.45320240837 TCL: atom 1: phi = -0.350582615194 TCL: Center of mass = 6.29916652306 0.0505733667165 -1.45354081312 TCL: atom 1: phi = -0.351366783052 TCL: Center of mass = 6.30214523405 0.050285799097 -1.45388150082 TCL: atom 1: phi = -0.352423795431 TCL: Center of mass = 6.30512376882 0.0500009720676 -1.45422044763 TCL: atom 1: phi = -0.353258502938 TCL: Center of mass = 6.30810129588 0.0497176046109 -1.45455490299 TCL: atom 1: phi = -0.354249411606 TCL: Center of mass = 6.31107607045 0.049436456521 -1.45487648726 TCL: atom 1: phi = -0.354975505207 TCL: Center of mass = 6.31405607045 0.0491544641949 -1.45519048196 TCL: atom 1: phi = -0.355752040304 TCL: Center of mass = 6.31702683833 0.0488622088501 -1.4555123429 TCL: atom 1: phi = -0.356231459512 TCL: Center of mass = 6.32000226403 0.0485715934234 -1.45584360704 TCL: atom 1: phi = -0.356805434392 TCL: Center of mass = 6.32297604854 0.0482815628965 -1.45616204356 TCL: atom 1: phi = -0.357134079714 TCL: Center of mass = 6.32595329647 0.0479892550695 -1.45647194329 TCL: atom 1: phi = -0.357665471827 TCL: Center of mass = 6.3289325614 0.047686904113 -1.45678437566 TCL: atom 1: phi = -0.358148339809 TCL: Center of mass = 6.33192863701 0.0473897513377 -1.45708183938 TCL: atom 1: phi = -0.35887234998 TCL: Center of mass = 6.33491553672 0.0470954428224 -1.45737857126 TCL: atom 1: phi = -0.359479772991 TIMING: 3200 CPU: 541.87, 0.170624/step Wall: 662.98, 0.208925/step, 0.974983 hours remaining, 20311 kB of memory in use. ENERGY: 3200 399.4067 679.3985 413.0801 44.4777 -2776.7564 -215.9625 0.0000 0.0000 1146.7286 -309.6273 312.5156 -300.8409 -300.8423 309.9018 16.8134 -83.7071 64000.0000 183.6463 179.3774 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200 WRITING COORDINATES TO DCD FILE AT STEP 3200 WRITING COORDINATES TO RESTART FILE AT STEP 3200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.33791505889 0.0468137213104 -1.45767251531 TCL: atom 1: phi = -0.360311359615 TCL: Center of mass = 6.34091881436 0.0465328537558 -1.45796019749 TCL: atom 1: phi = -0.361046878122 TCL: Center of mass = 6.34392116011 0.0462502745293 -1.4582543869 TCL: atom 1: phi = -0.361873882109 TCL: Center of mass = 6.34692662453 0.0459711459907 -1.45856125502 TCL: atom 1: phi = -0.362433362184 TCL: Center of mass = 6.3499340777 0.0456951064269 -1.45887829111 TCL: atom 1: phi = -0.363013553635 TCL: Center of mass = 6.35294693373 0.0454228009152 -1.45919432769 TCL: atom 1: phi = -0.363290176647 TCL: Center of mass = 6.35595580467 0.045155269137 -1.45951696495 TCL: atom 1: phi = -0.363610179134 TCL: Center of mass = 6.35896632951 0.0448830501656 -1.45983585187 TCL: atom 1: phi = -0.363709763136 TCL: Center of mass = 6.3619948214 0.0446080098565 -1.46015906499 TCL: atom 1: phi = -0.363923794874 TCL: Center of mass = 6.36502293178 0.0443198046987 -1.46049600981 TCL: atom 1: phi = -0.363898513521 TCL: Center of mass = 6.36805152523 0.0440350899744 -1.46083815448 TCL: atom 1: phi = -0.363934756835 TCL: Center of mass = 6.37108026437 0.0437575722347 -1.46118264006 TCL: atom 1: phi = -0.363711340252 TCL: Center of mass = 6.37411241816 0.0434811979143 -1.46152968705 TCL: atom 1: phi = -0.363488820777 TCL: Center of mass = 6.37713256297 0.043203662699 -1.46186573341 TCL: atom 1: phi = -0.362895510537 TCL: Center of mass = 6.38015670455 0.0429185313336 -1.46219977258 TCL: atom 1: phi = -0.36233561717 TCL: Center of mass = 6.38319132799 0.0426389388859 -1.46252955236 TCL: atom 1: phi = -0.361521050443 TCL: Center of mass = 6.38622902045 0.0423495967784 -1.46285724887 TCL: atom 1: phi = -0.360866709116 TCL: Center of mass = 6.3892637512 0.0420514761485 -1.46317792651 TCL: atom 1: phi = -0.359994774435 TCL: Center of mass = 6.39228571304 0.0417510010751 -1.46349454213 TCL: atom 1: phi = -0.359416586893 TCL: Center of mass = 6.3953096278 0.041444692791 -1.46380131802 TCL: atom 1: phi = -0.358767677979 TCL: Center of mass = 6.3983306282 0.0411437988234 -1.46410116785 TCL: atom 1: phi = -0.358469403349 TCL: Center of mass = 6.40134718681 0.0408384604683 -1.4643943008 TCL: atom 1: phi = -0.358090861121 TCL: Center of mass = 6.40435858823 0.0405330084671 -1.46467686682 TCL: atom 1: phi = -0.357961429395 TCL: Center of mass = 6.40737218086 0.0402265249278 -1.46496036429 TCL: atom 1: phi = -0.357545703075 TCL: Center of mass = 6.41039345154 0.0399147218074 -1.46524316761 TCL: atom 1: phi = -0.357332661213 TCL: Center of mass = 6.41341798975 0.0396129642058 -1.46552419449 TCL: atom 1: phi = -0.356867433803 TCL: Center of mass = 6.41643669435 0.0393187456974 -1.46579913229 TCL: atom 1: phi = -0.356635368837 TCL: Center of mass = 6.41946414348 0.0390057091205 -1.46606810879 TCL: atom 1: phi = -0.356170388423 TCL: Center of mass = 6.42247476186 0.0386972219818 -1.46633258031 TCL: atom 1: phi = -0.356049915798 TCL: Center of mass = 6.42547992362 0.0383856479942 -1.46658244625 TCL: atom 1: phi = -0.355781135969 TCL: Center of mass = 6.42848484707 0.0380818584194 -1.4668288821 TCL: atom 1: phi = -0.355859978129 TCL: Center of mass = 6.4314839626 0.0377893151619 -1.46707812048 TCL: atom 1: phi = -0.355754556113 TCL: Center of mass = 6.43448044579 0.0374917074902 -1.46732621864 TCL: atom 1: phi = -0.355859612063 TCL: Center of mass = 6.43747346167 0.0371899265995 -1.46757933707 TCL: atom 1: phi = -0.355680016351 TCL: Center of mass = 6.44045811771 0.03688356342 -1.46782930596 TCL: atom 1: phi = -0.355712603123 TCL: Center of mass = 6.44344758509 0.0365801632697 -1.46806859808 TCL: atom 1: phi = -0.355401711688 TCL: Center of mass = 6.44643822664 0.0362865376206 -1.46830775314 TCL: atom 1: phi = -0.355296855681 TCL: Center of mass = 6.44942502535 0.0360082350187 -1.46854595548 TCL: atom 1: phi = -0.354946873771 TCL: Center of mass = 6.4524182168 0.0357275943935 -1.46878277804 TCL: atom 1: phi = -0.354942752448 TCL: Center of mass = 6.45540511039 0.0354494670185 -1.4690261215 TCL: atom 1: phi = -0.354756944909 TCL: Center of mass = 6.45839653326 0.0351711427708 -1.46926404145 TCL: atom 1: phi = -0.354960134179 TCL: Center of mass = 6.46139215749 0.0348865120566 -1.46951002232 TCL: atom 1: phi = -0.355044501582 TCL: Center of mass = 6.46439742722 0.0345865497465 -1.46976871736 TCL: atom 1: phi = -0.355453216808 TCL: Center of mass = 6.46740157625 0.0342853103665 -1.47003111546 TCL: atom 1: phi = -0.35568546641 TCL: Center of mass = 6.47040154165 0.0339840434547 -1.4702897322 TCL: atom 1: phi = -0.356093640516 TCL: Center of mass = 6.47340027424 0.0336768358059 -1.47054740796 TCL: atom 1: phi = -0.356234445131 TCL: Center of mass = 6.47639630391 0.033364732279 -1.4707918334 TCL: atom 1: phi = -0.356556918401 TCL: Center of mass = 6.47938337974 0.0330474696686 -1.47103461814 TCL: atom 1: phi = -0.356617659864 TCL: Center of mass = 6.48238626392 0.032729516648 -1.47127414394 TCL: atom 1: phi = -0.356897045161 TCL: Center of mass = 6.48539810952 0.0324234594297 -1.47150958188 TCL: atom 1: phi = -0.35686560983 TCL: Center of mass = 6.48841012032 0.0321149775913 -1.47174297754 TCL: atom 1: phi = -0.357091721346 TCL: Center of mass = 6.4914211878 0.031807061811 -1.4719826834 TCL: atom 1: phi = -0.357058643513 TCL: Center of mass = 6.494430436 0.0315121256479 -1.47222054151 TCL: atom 1: phi = -0.357318643793 TCL: Center of mass = 6.49743657584 0.0312140988736 -1.47246396896 TCL: atom 1: phi = -0.357276964799 TCL: Center of mass = 6.50045432697 0.0309208010046 -1.47270831605 TCL: atom 1: phi = -0.357428123998 TCL: Center of mass = 6.50346758647 0.0306280859311 -1.47295952633 TCL: atom 1: phi = -0.357185296201 TCL: Center of mass = 6.50647732495 0.030328176915 -1.47321146717 TCL: atom 1: phi = -0.357151521874 TCL: Center of mass = 6.50948712979 0.0300203599431 -1.47346408679 TCL: atom 1: phi = -0.356803921768 TCL: Center of mass = 6.51250795073 0.029707723706 -1.47371113611 TCL: atom 1: phi = -0.356741198979 TCL: Center of mass = 6.5155431738 0.0293894336454 -1.47397440269 TCL: atom 1: phi = -0.356431452782 TCL: Center of mass = 6.51857201602 0.0290629776258 -1.47423149926 TCL: atom 1: phi = -0.356497694101 TCL: Center of mass = 6.52160424805 0.0287455581303 -1.47449880168 TCL: atom 1: phi = -0.356365952676 TCL: Center of mass = 6.5246416168 0.0284449377041 -1.47476433826 TCL: atom 1: phi = -0.356616905944 TCL: Center of mass = 6.52768225869 0.0281463332675 -1.47503257097 TCL: atom 1: phi = -0.356572943142 TCL: Center of mass = 6.53073465789 0.0278535413589 -1.47529530588 TCL: atom 1: phi = -0.356862483602 TCL: Center of mass = 6.5337897869 0.0275630617082 -1.47557045123 TCL: atom 1: phi = -0.356832542257 TCL: Center of mass = 6.53684356185 0.0272734325153 -1.47583991487 TCL: atom 1: phi = -0.357180248729 TCL: Center of mass = 6.53990943745 0.0269778458629 -1.47609946494 TCL: atom 1: phi = -0.357196289535 TCL: Center of mass = 6.54297948566 0.0266786116513 -1.47635633099 TCL: atom 1: phi = -0.357632532205 TCL: Center of mass = 6.54604232306 0.02637663275 -1.47660589939 TCL: atom 1: phi = -0.357844074009 TCL: Center of mass = 6.54911686445 0.0260613453803 -1.47686164449 TCL: atom 1: phi = -0.358529120203 TCL: Center of mass = 6.55219990722 0.0257487159662 -1.47711100518 TCL: atom 1: phi = -0.359083042021 TCL: Center of mass = 6.55528577368 0.0254465394208 -1.47735814626 TCL: atom 1: phi = -0.36013005144 TCL: Center of mass = 6.55837961206 0.0251468405126 -1.47761660624 TCL: atom 1: phi = -0.361030185429 TCL: Center of mass = 6.56147812374 0.0248490602977 -1.47787735107 TCL: atom 1: phi = -0.362351518537 TCL: Center of mass = 6.5645703278 0.0245484958859 -1.47813771127 TCL: atom 1: phi = -0.363375531012 TCL: Center of mass = 6.56766975531 0.0242520820829 -1.4783951294 TCL: atom 1: phi = -0.364655869098 TCL: Center of mass = 6.57075778347 0.0239528948515 -1.4786516312 TCL: atom 1: phi = -0.365585706072 TCL: Center of mass = 6.57384185349 0.0236586868826 -1.47890596283 TCL: atom 1: phi = -0.366709255595 TCL: Center of mass = 6.57692272364 0.0233619487623 -1.47915991008 TCL: atom 1: phi = -0.367562569171 TCL: Center of mass = 6.57999534451 0.0230664123844 -1.47941528677 TCL: atom 1: phi = -0.368601987585 TCL: Center of mass = 6.58305884116 0.0227689698586 -1.47967276001 TCL: atom 1: phi = -0.36932488071 TCL: Center of mass = 6.58611815052 0.0224793108519 -1.47992561981 TCL: atom 1: phi = -0.370288330783 TCL: Center of mass = 6.58918614369 0.0221912986889 -1.48018109159 TCL: atom 1: phi = -0.370907822751 TCL: Center of mass = 6.59224514765 0.0218934983625 -1.48043446706 TCL: atom 1: phi = -0.371560026325 TCL: Center of mass = 6.59530177763 0.0216029151595 -1.48068086579 TCL: atom 1: phi = -0.371671805364 TCL: Center of mass = 6.59836267569 0.0213102847637 -1.48092834611 TCL: atom 1: phi = -0.37177923382 TCL: Center of mass = 6.60141421998 0.0210225148875 -1.48117211127 TCL: atom 1: phi = -0.371331236817 TCL: Center of mass = 6.60446966172 0.0207413901516 -1.4814214999 TCL: atom 1: phi = -0.370925985472 TCL: Center of mass = 6.60751347513 0.0204595482216 -1.4816670213 TCL: atom 1: phi = -0.370069484005 TCL: Center of mass = 6.61056470612 0.0201827213076 -1.48190469636 TCL: atom 1: phi = -0.369460366554 TCL: Center of mass = 6.61362011384 0.0199134296021 -1.48214743661 TCL: atom 1: phi = -0.368554956174 TCL: Center of mass = 6.61667423404 0.0196441850545 -1.48239443993 TCL: atom 1: phi = -0.36801348957 TCL: Center of mass = 6.61973602425 0.0193873089229 -1.48263818196 TCL: atom 1: phi = -0.367324035896 TCL: Center of mass = 6.62280191812 0.0191174010613 -1.4828741926 TCL: atom 1: phi = -0.36707789519 TCL: Center of mass = 6.62587196947 0.0188435025838 -1.48311693513 TCL: atom 1: phi = -0.366603618905 TCL: Center of mass = 6.62895107282 0.01857910292 -1.48336080169 TCL: atom 1: phi = -0.366511721358 TCL: Center of mass = 6.63202633664 0.0183131523157 -1.48361130121 TCL: atom 1: phi = -0.366181239997 TCL: Center of mass = 6.63509912274 0.0180415392526 -1.48386492021 TCL: atom 1: phi = -0.366323156596 TCL: Center of mass = 6.63817480005 0.0177744759715 -1.48411884696 TCL: atom 1: phi = -0.366318824122 TIMING: 3300 CPU: 558.989, 0.171194/step Wall: 683.945, 0.209646/step, 0.972523 hours remaining, 20313 kB of memory in use. ENERGY: 3300 411.3093 688.4048 410.8827 44.4088 -2806.6545 -198.7564 0.0000 0.0000 1152.1341 -298.2712 313.9888 -288.7279 -291.4258 313.8432 898.7232 648.1967 64000.0000 129.2993 128.7739 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300 WRITING COORDINATES TO DCD FILE AT STEP 3300 WRITING COORDINATES TO RESTART FILE AT STEP 3300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.64123349104 0.0175042079001 -1.48437804942 TCL: atom 1: phi = -0.366961969001 TCL: Center of mass = 6.64429608241 0.0172353131813 -1.48463804865 TCL: atom 1: phi = -0.367514941155 TCL: Center of mass = 6.64734914044 0.0169757484845 -1.48489921132 TCL: atom 1: phi = -0.368644088435 TCL: Center of mass = 6.6503987081 0.0167129839181 -1.4851686977 TCL: atom 1: phi = -0.369589477851 TCL: Center of mass = 6.65344819226 0.0164476786477 -1.48542957992 TCL: atom 1: phi = -0.370868714668 TCL: Center of mass = 6.65649230353 0.0161884063073 -1.48569106894 TCL: atom 1: phi = -0.371806884914 TCL: Center of mass = 6.65954353975 0.0159325375845 -1.485956171 TCL: atom 1: phi = -0.372858116255 TCL: Center of mass = 6.66259850603 0.0156803145384 -1.48622154529 TCL: atom 1: phi = -0.37355303356 TCL: Center of mass = 6.66564435296 0.0154193412445 -1.48649484864 TCL: atom 1: phi = -0.374349893034 TCL: Center of mass = 6.6686837752 0.0151586021606 -1.48676806871 TCL: atom 1: phi = -0.374801709438 TCL: Center of mass = 6.6717219227 0.0148946927549 -1.4870439855 TCL: atom 1: phi = -0.375453902032 TCL: Center of mass = 6.67475735703 0.0146419356862 -1.48731285618 TCL: atom 1: phi = -0.375825032307 TCL: Center of mass = 6.67778534301 0.0143850991476 -1.48758506487 TCL: atom 1: phi = -0.37643003307 TCL: Center of mass = 6.6808169102 0.0141201392863 -1.4878518199 TCL: atom 1: phi = -0.376805744411 TCL: Center of mass = 6.68384475873 0.0138568203557 -1.48810785061 TCL: atom 1: phi = -0.377382300218 TCL: Center of mass = 6.68686650754 0.0136086000382 -1.48836949465 TCL: atom 1: phi = -0.37764327223 TCL: Center of mass = 6.68988639958 0.0133565271756 -1.48862607213 TCL: atom 1: phi = -0.377942956217 TCL: Center of mass = 6.69291469716 0.0131072458788 -1.48888126404 TCL: atom 1: phi = -0.377842146562 TCL: Center of mass = 6.69594325938 0.0128630624854 -1.48913504923 TCL: atom 1: phi = -0.377787550225 TCL: Center of mass = 6.69896702263 0.0126251114011 -1.48939160612 TCL: atom 1: phi = -0.377447229027 TCL: Center of mass = 6.70200037437 0.0123851527106 -1.4896483734 TCL: atom 1: phi = -0.377246189616 TCL: Center of mass = 6.70503531238 0.0121482580747 -1.48991384639 TCL: atom 1: phi = -0.376803011899 TCL: Center of mass = 6.70807415681 0.0119080549095 -1.49018002829 TCL: atom 1: phi = -0.37652287441 TCL: Center of mass = 6.71111616963 0.0116633660873 -1.49044984965 TCL: atom 1: phi = -0.375970225165 TCL: Center of mass = 6.7141616646 0.011406670444 -1.49071565703 TCL: atom 1: phi = -0.375568280389 TCL: Center of mass = 6.7172134633 0.011152528588 -1.49098460874 TCL: atom 1: phi = -0.374853746958 TCL: Center of mass = 6.72026433851 0.0108934484976 -1.49125449569 TCL: atom 1: phi = -0.374227619879 TCL: Center of mass = 6.72331663063 0.0106303835397 -1.49153691005 TCL: atom 1: phi = -0.373246620096 TCL: Center of mass = 6.72637373151 0.0103847476666 -1.49182576852 TCL: atom 1: phi = -0.372356968051 TCL: Center of mass = 6.72942587292 0.0101533779226 -1.49210522721 TCL: atom 1: phi = -0.371253909349 TCL: Center of mass = 6.73248432614 0.00991458530876 -1.4923795457 TCL: atom 1: phi = -0.370453673037 TCL: Center of mass = 6.73554890952 0.00966469209483 -1.49265748934 TCL: atom 1: phi = -0.369614824184 TCL: Center of mass = 6.73860611637 0.00940890429296 -1.49292583064 TCL: atom 1: phi = -0.369187367521 TCL: Center of mass = 6.74165737015 0.00915659556235 -1.49318933941 TCL: atom 1: phi = -0.36865282217 TCL: Center of mass = 6.74471473943 0.00890617752526 -1.4934403915 TCL: atom 1: phi = -0.368435692792 TCL: Center of mass = 6.74775682341 0.00866376152702 -1.4936869831 TCL: atom 1: phi = -0.368046858302 TCL: Center of mass = 6.75080590951 0.00842229311746 -1.49393966699 TCL: atom 1: phi = -0.367936731415 TCL: Center of mass = 6.75384921232 0.00817670893723 -1.49419378439 TCL: atom 1: phi = -0.367656144647 TCL: Center of mass = 6.75689290439 0.00793599766165 -1.49445043394 TCL: atom 1: phi = -0.367703905611 TCL: Center of mass = 6.75992845728 0.00769950420012 -1.49471451463 TCL: atom 1: phi = -0.367613353347 TCL: Center of mass = 6.76295349062 0.00746510290999 -1.49495757818 TCL: atom 1: phi = -0.367802681747 TCL: Center of mass = 6.76598031315 0.00723411140349 -1.49519441366 TCL: atom 1: phi = -0.367882957671 TCL: Center of mass = 6.76900635618 0.00699480640805 -1.49543093587 TCL: atom 1: phi = -0.368309138288 TCL: Center of mass = 6.77203153602 0.00675968705837 -1.49566117376 TCL: atom 1: phi = -0.368532869228 TCL: Center of mass = 6.77505582586 0.00652554544753 -1.49590150121 TCL: atom 1: phi = -0.368993645772 TCL: Center of mass = 6.77807582033 0.00628387849669 -1.4961460676 TCL: atom 1: phi = -0.369110849692 TCL: Center of mass = 6.78109689422 0.00604963717209 -1.49639305557 TCL: atom 1: phi = -0.36930869584 TCL: Center of mass = 6.78411774428 0.00581983757304 -1.4966397482 TCL: atom 1: phi = -0.369122368449 TCL: Center of mass = 6.78713855932 0.00559854165804 -1.496876951 TCL: atom 1: phi = -0.368953278156 TCL: Center of mass = 6.79015495094 0.00536623066175 -1.49710842712 TCL: atom 1: phi = -0.368397296509 TCL: Center of mass = 6.79316731099 0.00514082373645 -1.4973371343 TCL: atom 1: phi = -0.367920599589 TCL: Center of mass = 6.79618364268 0.00491778360139 -1.49756494537 TCL: atom 1: phi = -0.367167095038 TCL: Center of mass = 6.79920317464 0.00469083228342 -1.49779283663 TCL: atom 1: phi = -0.366649503886 TCL: Center of mass = 6.80222803883 0.0044553381631 -1.49802263321 TCL: atom 1: phi = -0.365907610404 TCL: Center of mass = 6.80525535958 0.00421971844294 -1.49825113654 TCL: atom 1: phi = -0.36539904169 TCL: Center of mass = 6.80828324246 0.00397533396667 -1.49847800872 TCL: atom 1: phi = -0.364701553472 TCL: Center of mass = 6.81130539144 0.00373434160119 -1.49869205994 TCL: atom 1: phi = -0.364259185932 TCL: Center of mass = 6.81433564893 0.00349114954127 -1.49891961599 TCL: atom 1: phi = -0.363560093847 TCL: Center of mass = 6.81737752531 0.00324410122768 -1.49915479275 TCL: atom 1: phi = -0.363005850198 TCL: Center of mass = 6.82042909909 0.00300277806339 -1.49939838087 TCL: atom 1: phi = -0.362154132092 TCL: Center of mass = 6.82348890889 0.00274761179687 -1.49964016632 TCL: atom 1: phi = -0.361523089658 TCL: Center of mass = 6.82654593878 0.00249413485994 -1.49988565226 TCL: atom 1: phi = -0.3606172975 TCL: Center of mass = 6.82960041073 0.00223728027829 -1.50014193688 TCL: atom 1: phi = -0.360046478658 TCL: Center of mass = 6.83265307405 0.00197833645878 -1.5003869577 TCL: atom 1: phi = -0.359268123688 TCL: Center of mass = 6.83569498015 0.0017161080897 -1.50061893253 TCL: atom 1: phi = -0.358786631332 TCL: Center of mass = 6.83873722635 0.00145412609798 -1.50084693309 TCL: atom 1: phi = -0.358059756237 TCL: Center of mass = 6.84178413564 0.00118523200925 -1.50107560788 TCL: atom 1: phi = -0.357651771778 TCL: Center of mass = 6.84483490285 0.000917453725467 -1.50130113315 TCL: atom 1: phi = -0.35695932653 TCL: Center of mass = 6.84789573338 0.000649971125798 -1.50152550348 TCL: atom 1: phi = -0.356604713988 TCL: Center of mass = 6.85095335075 0.000377372371399 -1.50175476036 TCL: atom 1: phi = -0.356041068805 TCL: Center of mass = 6.85399497404 9.68181388652e-05 -1.50198245534 TCL: atom 1: phi = -0.355933944544 TCL: Center of mass = 6.85703815906 -0.000177456778837 -1.50220106771 TCL: atom 1: phi = -0.355749767921 TCL: Center of mass = 6.86008688058 -0.000451883434554 -1.50243200673 TCL: atom 1: phi = -0.356154689701 TCL: Center of mass = 6.86313253873 -0.000714212168528 -1.50266533557 TCL: atom 1: phi = -0.356535319204 TCL: Center of mass = 6.86617299729 -0.000965925739223 -1.50290165245 TCL: atom 1: phi = -0.357403627728 TCL: Center of mass = 6.86920847823 -0.00122013561778 -1.50314647627 TCL: atom 1: phi = -0.358240062679 TCL: Center of mass = 6.8722463642 -0.00148174489478 -1.50338783199 TCL: atom 1: phi = -0.359527319092 TCL: Center of mass = 6.87530085065 -0.00173493439472 -1.50363900215 TCL: atom 1: phi = -0.360667827885 TCL: Center of mass = 6.8783424264 -0.0019839205371 -1.50390393118 TCL: atom 1: phi = -0.362062869064 TCL: Center of mass = 6.88139458416 -0.00223416897508 -1.50417393194 TCL: atom 1: phi = -0.363223381552 TCL: Center of mass = 6.88443928133 -0.00249129997504 -1.50444083492 TCL: atom 1: phi = -0.364597171448 TCL: Center of mass = 6.88747783262 -0.0027570784969 -1.50469381869 TCL: atom 1: phi = -0.365656424932 TCL: Center of mass = 6.89050601964 -0.00302080803833 -1.50494703157 TCL: atom 1: phi = -0.366868343065 TCL: Center of mass = 6.89354343609 -0.00328252607473 -1.50519289824 TCL: atom 1: phi = -0.367663500916 TCL: Center of mass = 6.89658552481 -0.00354715923856 -1.50543136419 TCL: atom 1: phi = -0.368572027994 TCL: Center of mass = 6.89961426797 -0.00381834988042 -1.50566165457 TCL: atom 1: phi = -0.36905878583 TCL: Center of mass = 6.90264155699 -0.00409186670112 -1.50588338345 TCL: atom 1: phi = -0.369498626603 TCL: Center of mass = 6.90566957941 -0.00436678095136 -1.50610358523 TCL: atom 1: phi = -0.369457058697 TCL: Center of mass = 6.9086806383 -0.00464960391826 -1.50632366093 TCL: atom 1: phi = -0.369329970703 TCL: Center of mass = 6.91169143784 -0.00492842382693 -1.50655407005 TCL: atom 1: phi = -0.368670271006 TCL: Center of mass = 6.91471064668 -0.00520626574509 -1.50677633953 TCL: atom 1: phi = -0.367974675821 TCL: Center of mass = 6.91773148533 -0.00549276712953 -1.50699749807 TCL: atom 1: phi = -0.366900923334 TCL: Center of mass = 6.92075076217 -0.00576416499823 -1.5072198046 TCL: atom 1: phi = -0.366007610764 TCL: Center of mass = 6.92376533007 -0.00604276862853 -1.50745368374 TCL: atom 1: phi = -0.3648570018 TCL: Center of mass = 6.92678309227 -0.00632542503114 -1.50769049589 TCL: atom 1: phi = -0.364010407964 TCL: Center of mass = 6.92981276486 -0.00659429214652 -1.5079279921 TCL: atom 1: phi = -0.363043824163 TCL: Center of mass = 6.93284544986 -0.00686483401855 -1.50815836818 TCL: atom 1: phi = -0.362466324329 TCL: Center of mass = 6.93587943471 -0.0071307177244 -1.50839120797 TCL: atom 1: phi = -0.361719246861 TCL: Center of mass = 6.9389244302 -0.0073984834196 -1.50863894662 TCL: atom 1: phi = -0.361336736485 TCL: Center of mass = 6.94197379791 -0.00766318339619 -1.5088928073 TCL: atom 1: phi = -0.360821212247 TIMING: 3400 CPU: 575.986, 0.169974/step Wall: 704.761, 0.208162/step, 0.959856 hours remaining, 20314 kB of memory in use. ENERGY: 3400 396.4924 648.9533 428.8363 46.4441 -2799.7434 -204.5793 0.0000 0.0000 1183.4361 -300.1605 322.5194 -291.4847 -291.0840 315.6301 443.1096 224.9698 64000.0000 229.4518 236.9478 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400 WRITING COORDINATES TO DCD FILE AT STEP 3400 WRITING COORDINATES TO RESTART FILE AT STEP 3400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 6.94502508087 -0.00793405213944 -1.50914483792 TCL: atom 1: phi = -0.360679769357 TCL: Center of mass = 6.94807322883 -0.00819950940901 -1.50940916274 TCL: atom 1: phi = -0.360342409095 TCL: Center of mass = 6.95112803236 -0.00845892384363 -1.50968210028 TCL: atom 1: phi = -0.360372130481 TCL: Center of mass = 6.95418616789 -0.00871909605357 -1.50996578141 TCL: atom 1: phi = -0.360199967416 TCL: Center of mass = 6.9572473927 -0.00897822962632 -1.51024101184 TCL: atom 1: phi = -0.360367696197 TCL: Center of mass = 6.96030647876 -0.00923531238538 -1.51052552021 TCL: atom 1: phi = -0.360344064545 TCL: Center of mass = 6.96336839673 -0.00949781527379 -1.51081340693 TCL: atom 1: phi = -0.360677420817 TCL: Center of mass = 6.96642508006 -0.00976111215115 -1.51108743325 TCL: atom 1: phi = -0.360783376383 TCL: Center of mass = 6.96946681194 -0.0100230390733 -1.51136248769 TCL: atom 1: phi = -0.361233648151 TCL: Center of mass = 6.97251832844 -0.0102861331939 -1.51163915751 TCL: atom 1: phi = -0.361453362228 TCL: Center of mass = 6.97557377026 -0.0105416012203 -1.51191080407 TCL: atom 1: phi = -0.361897844831 TCL: Center of mass = 6.9786247187 -0.0107979404998 -1.51218439188 TCL: atom 1: phi = -0.362102943298 TCL: Center of mass = 6.98166589171 -0.0110655919678 -1.51245754115 TCL: atom 1: phi = -0.362695870145 TCL: Center of mass = 6.9847070993 -0.0113193387038 -1.51274044815 TCL: atom 1: phi = -0.363063976636 TCL: Center of mass = 6.98774309257 -0.0115695894412 -1.51302369607 TCL: atom 1: phi = -0.363772012934 TCL: Center of mass = 6.99079255573 -0.0118223261292 -1.51331034969 TCL: atom 1: phi = -0.364391009142 TCL: Center of mass = 6.99383961042 -0.0120715011211 -1.51360171569 TCL: atom 1: phi = -0.365325097783 TCL: Center of mass = 6.99688004515 -0.0123223454425 -1.51389352317 TCL: atom 1: phi = -0.366039896933 TCL: Center of mass = 6.99992090342 -0.0125705637817 -1.51419222406 TCL: atom 1: phi = -0.366912696541 TCL: Center of mass = 7.00295722623 -0.012818160261 -1.51448674499 TCL: atom 1: phi = -0.367455186741 TCL: Center of mass = 7.00598620523 -0.0130603208331 -1.51479341512 TCL: atom 1: phi = -0.368135255919 TCL: Center of mass = 7.00901703517 -0.0133021553168 -1.5151093589 TCL: atom 1: phi = -0.368384123825 TCL: Center of mass = 7.01204846208 -0.0135406488408 -1.51542325694 TCL: atom 1: phi = -0.368672481043 TCL: Center of mass = 7.01508208555 -0.0137726244224 -1.51574212414 TCL: atom 1: phi = -0.368576373138 TCL: Center of mass = 7.01812080362 -0.0140008722826 -1.51605309976 TCL: atom 1: phi = -0.368491658432 TCL: Center of mass = 7.0211663025 -0.0142293688608 -1.51635345318 TCL: atom 1: phi = -0.368020762417 TCL: Center of mass = 7.02420519928 -0.0144566054756 -1.51665189536 TCL: atom 1: phi = -0.367557625162 TCL: Center of mass = 7.0272538642 -0.0146722130781 -1.51695837203 TCL: atom 1: phi = -0.366757411588 TCL: Center of mass = 7.03029288083 -0.0148874643606 -1.51725559539 TCL: atom 1: phi = -0.366063975184 TCL: Center of mass = 7.03335278926 -0.0151022569062 -1.51755791155 TCL: atom 1: phi = -0.364980456531 TCL: Center of mass = 7.03641392134 -0.0153122654755 -1.51785922929 TCL: atom 1: phi = -0.363951046198 TCL: Center of mass = 7.03948055306 -0.0155307046829 -1.51815189735 TCL: atom 1: phi = -0.362617354428 TCL: Center of mass = 7.04254340999 -0.0157554185771 -1.51844496244 TCL: atom 1: phi = -0.361465094529 TCL: Center of mass = 7.04559764654 -0.0159819275921 -1.51874571079 TCL: atom 1: phi = -0.360154334201 TCL: Center of mass = 7.04865382565 -0.0162144045905 -1.51903463862 TCL: atom 1: phi = -0.359215394178 TCL: Center of mass = 7.05170691278 -0.016452633737 -1.51932520511 TCL: atom 1: phi = -0.358223698871 TCL: Center of mass = 7.05475446275 -0.0166851348302 -1.51961811252 TCL: atom 1: phi = -0.357615455526 TCL: Center of mass = 7.05779852545 -0.0169140647789 -1.5199181436 TCL: atom 1: phi = -0.356965331026 TCL: Center of mass = 7.06085004394 -0.0171412389133 -1.5202125035 TCL: atom 1: phi = -0.356743820216 TCL: Center of mass = 7.06390799306 -0.0173765630044 -1.5205063721 TCL: atom 1: phi = -0.356463687389 TCL: Center of mass = 7.06694601009 -0.0176102439446 -1.52078323293 TCL: atom 1: phi = -0.356511731112 TCL: Center of mass = 7.06997312098 -0.0178467901566 -1.5210746917 TCL: atom 1: phi = -0.356410017427 TCL: Center of mass = 7.07299339486 -0.0180782987291 -1.52136582498 TCL: atom 1: phi = -0.356624054088 TCL: Center of mass = 7.07601844723 -0.0183069571773 -1.52165229631 TCL: atom 1: phi = -0.356633455167 TCL: Center of mass = 7.0790466562 -0.0185278337294 -1.52193929064 TCL: atom 1: phi = -0.356824686908 TCL: Center of mass = 7.08207308484 -0.0187458184307 -1.52223463925 TCL: atom 1: phi = -0.356781752685 TCL: Center of mass = 7.08510747816 -0.0189640409485 -1.52253812561 TCL: atom 1: phi = -0.356954398176 TCL: Center of mass = 7.08813772789 -0.019176607695 -1.52284659107 TCL: atom 1: phi = -0.356915323554 TCL: Center of mass = 7.09116735339 -0.0193979316511 -1.52316487894 TCL: atom 1: phi = -0.357081001108 TCL: Center of mass = 7.09418927549 -0.0196131582923 -1.52348259476 TCL: atom 1: phi = -0.357005956604 TCL: Center of mass = 7.09720581789 -0.0198284443904 -1.52380832843 TCL: atom 1: phi = -0.357148050697 TCL: Center of mass = 7.10021542009 -0.0200351590046 -1.5241408144 TCL: atom 1: phi = -0.357047542841 TCL: Center of mass = 7.10322936549 -0.0202451271344 -1.52447557329 TCL: atom 1: phi = -0.357191751173 TCL: Center of mass = 7.10625666233 -0.0204488683479 -1.52480358818 TCL: atom 1: phi = -0.357111432218 TCL: Center of mass = 7.10928489975 -0.0206623264341 -1.52512763645 TCL: atom 1: phi = -0.357214691087 TCL: Center of mass = 7.11231625215 -0.0208746831484 -1.52545526458 TCL: atom 1: phi = -0.35703738248 TCL: Center of mass = 7.11534368847 -0.0210888601197 -1.52578147686 TCL: atom 1: phi = -0.357097485483 TCL: Center of mass = 7.11837578583 -0.0213087225324 -1.52610518894 TCL: atom 1: phi = -0.356910150549 TCL: Center of mass = 7.12141333857 -0.0215287823135 -1.52642105931 TCL: atom 1: phi = -0.356976860903 TCL: Center of mass = 7.12445608747 -0.0217516312142 -1.52672961413 TCL: atom 1: phi = -0.356844010218 TCL: Center of mass = 7.12749167146 -0.0219864502834 -1.52705214228 TCL: atom 1: phi = -0.356911402146 TCL: Center of mass = 7.1305354229 -0.0222169230968 -1.52736506446 TCL: atom 1: phi = -0.356665324239 TCL: Center of mass = 7.13356816734 -0.0224529518382 -1.52767929717 TCL: atom 1: phi = -0.35653706849 TCL: Center of mass = 7.13660398536 -0.022682899087 -1.52797954833 TCL: atom 1: phi = -0.356014582845 TCL: Center of mass = 7.1396333513 -0.0228997889918 -1.5282745507 TCL: atom 1: phi = -0.355610396782 TCL: Center of mass = 7.14265440139 -0.0231185083747 -1.52857414823 TCL: atom 1: phi = -0.354781556878 TCL: Center of mass = 7.14567762745 -0.0233375986839 -1.52886340111 TCL: atom 1: phi = -0.354066889801 TCL: Center of mass = 7.1486955026 -0.0235544376395 -1.52915921618 TCL: atom 1: phi = -0.353086550131 TCL: Center of mass = 7.15172043246 -0.0237703066429 -1.5294639555 TCL: atom 1: phi = -0.352374067942 TCL: Center of mass = 7.15474436387 -0.0239926859652 -1.52977031089 TCL: atom 1: phi = -0.351510605927 TCL: Center of mass = 7.15777431557 -0.02421835211 -1.5300764458 TCL: atom 1: phi = -0.350953334731 TCL: Center of mass = 7.16081347841 -0.024456934875 -1.53038188064 TCL: atom 1: phi = -0.350211330142 TCL: Center of mass = 7.16385752706 -0.0246890030154 -1.53068703746 TCL: atom 1: phi = -0.349829690751 TCL: Center of mass = 7.16691561488 -0.0249253195226 -1.53100199549 TCL: atom 1: phi = -0.349265176166 TCL: Center of mass = 7.16996319565 -0.0251552385919 -1.53130829758 TCL: atom 1: phi = -0.349102565503 TCL: Center of mass = 7.17301502689 -0.025394129888 -1.53162610886 TCL: atom 1: phi = -0.348843991627 TCL: Center of mass = 7.17606809646 -0.025646785452 -1.5319440627 TCL: atom 1: phi = -0.348997117905 TCL: Center of mass = 7.17912371027 -0.0258931931352 -1.53226712303 TCL: atom 1: phi = -0.349048791199 TCL: Center of mass = 7.1821849907 -0.026143983668 -1.53259370362 TCL: atom 1: phi = -0.349494541777 TCL: Center of mass = 7.18524930686 -0.026398168151 -1.5329178746 TCL: atom 1: phi = -0.349827491781 TCL: Center of mass = 7.18829884398 -0.0266435562761 -1.5332517991 TCL: atom 1: phi = -0.350607788398 TCL: Center of mass = 7.19134196079 -0.0268940639934 -1.53358040954 TCL: atom 1: phi = -0.351307934503 TCL: Center of mass = 7.19437960316 -0.0271360921553 -1.53391416255 TCL: atom 1: phi = -0.352310633154 TCL: Center of mass = 7.19742125374 -0.0273894111324 -1.53424651265 TCL: atom 1: phi = -0.353035388742 TCL: Center of mass = 7.20046019939 -0.0276458886729 -1.53457386153 TCL: atom 1: phi = -0.353943961309 TCL: Center of mass = 7.20350356813 -0.0278983706184 -1.53491581306 TCL: atom 1: phi = -0.354541024678 TCL: Center of mass = 7.20655627315 -0.0281513635144 -1.53524848185 TCL: atom 1: phi = -0.355248381725 TCL: Center of mass = 7.20962224794 -0.0284017300026 -1.53558309447 TCL: atom 1: phi = -0.355607415709 TCL: Center of mass = 7.21269797295 -0.0286550712284 -1.53590421738 TCL: atom 1: phi = -0.356199283341 TCL: Center of mass = 7.21577451681 -0.0289137341971 -1.53622458452 TCL: atom 1: phi = -0.356571875298 TCL: Center of mass = 7.21883583944 -0.0291663271718 -1.5365526319 TCL: atom 1: phi = -0.357242269368 TCL: Center of mass = 7.22188981891 -0.0294238785346 -1.53686788524 TCL: atom 1: phi = -0.357686849961 TCL: Center of mass = 7.22493800058 -0.0296793608702 -1.53718251463 TCL: atom 1: phi = -0.358511855446 TCL: Center of mass = 7.22797058152 -0.0299321039932 -1.53749503308 TCL: atom 1: phi = -0.359143370381 TCL: Center of mass = 7.23100472556 -0.0301798918833 -1.5378027031 TCL: atom 1: phi = -0.360165446211 TCL: Center of mass = 7.23403589096 -0.030421969881 -1.53812024459 TCL: atom 1: phi = -0.360957243897 TCL: Center of mass = 7.23705501577 -0.0306775590525 -1.53843634491 TCL: atom 1: phi = -0.362013561901 TCL: Center of mass = 7.24007025751 -0.0309394733066 -1.53875231399 TCL: atom 1: phi = -0.362829796345 TCL: Center of mass = 7.243088935 -0.0311918826062 -1.53907639646 TCL: atom 1: phi = -0.364016707604 TCL: Center of mass = 7.24609738352 -0.0314481846673 -1.53939766639 TCL: atom 1: phi = -0.36506274145 TIMING: 3500 CPU: 593.099, 0.171124/step Wall: 725.725, 0.209638/step, 0.960841 hours remaining, 20323 kB of memory in use. ENERGY: 3500 424.2644 680.3905 416.4122 43.1134 -2809.0606 -209.1379 0.0000 0.0000 1153.0500 -300.9681 314.2384 -292.3295 -292.1129 312.4536 91.2573 -73.6986 64000.0000 325.4518 323.7994 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500 WRITING COORDINATES TO DCD FILE AT STEP 3500 WRITING COORDINATES TO RESTART FILE AT STEP 3500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 7.24910432157 -0.0317086650615 -1.53971503545 TCL: atom 1: phi = -0.366451967395 TCL: Center of mass = 7.25213060248 -0.031970188575 -1.54001699265 TCL: atom 1: phi = -0.367628948285 TCL: Center of mass = 7.25515837773 -0.0322362384131 -1.5403178186 TCL: atom 1: phi = -0.369035992975 TCL: Center of mass = 7.2581814635 -0.0324890589665 -1.54061008695 TCL: atom 1: phi = -0.370039129097 TCL: Center of mass = 7.26121979656 -0.0327460755394 -1.54089553876 TCL: atom 1: phi = -0.371098233217 TCL: Center of mass = 7.26425631698 -0.032995750321 -1.5411861534 TCL: atom 1: phi = -0.371689878173 TCL: Center of mass = 7.26730035508 -0.0332524232677 -1.54148556021 TCL: atom 1: phi = -0.372272740801 TCL: Center of mass = 7.27034005282 -0.0335119861549 -1.54177531381 TCL: atom 1: phi = -0.37238712599 TCL: Center of mass = 7.27338768182 -0.0337789594063 -1.5420542548 TCL: atom 1: phi = -0.372558022677 TCL: Center of mass = 7.27643927875 -0.0340392377442 -1.54232512977 TCL: atom 1: phi = -0.372395619679 TCL: Center of mass = 7.2794845515 -0.0342997925105 -1.54260226158 TCL: atom 1: phi = -0.372387275552 TCL: Center of mass = 7.28253573369 -0.0345634863342 -1.54286392298 TCL: atom 1: phi = -0.37203540911 TCL: Center of mass = 7.28557555609 -0.034822473662 -1.54312628127 TCL: atom 1: phi = -0.371845557448 TCL: Center of mass = 7.28862499705 -0.035088749692 -1.54337406808 TCL: atom 1: phi = -0.371344385563 TCL: Center of mass = 7.29167500916 -0.0353454930069 -1.54360831446 TCL: atom 1: phi = -0.371028658005 TCL: Center of mass = 7.29471001943 -0.0356103341297 -1.54384264746 TCL: atom 1: phi = -0.370341328262 TCL: Center of mass = 7.29773406033 -0.035880455164 -1.54407596084 TCL: atom 1: phi = -0.369846313476 TCL: Center of mass = 7.30075950416 -0.0361614557143 -1.54430220487 TCL: atom 1: phi = -0.369069606061 TCL: Center of mass = 7.30379390698 -0.036445333006 -1.54454163346 TCL: atom 1: phi = -0.368619127988 TCL: Center of mass = 7.30682512431 -0.0367380874766 -1.54478775089 TCL: atom 1: phi = -0.368010900963 TCL: Center of mass = 7.30985702217 -0.0370315327539 -1.54504258093 TCL: atom 1: phi = -0.367893361969 TCL: Center of mass = 7.31288665141 -0.0373350710783 -1.54529384125 TCL: atom 1: phi = -0.367572148636 TCL: Center of mass = 7.31592696428 -0.0376414457408 -1.54554847534 TCL: atom 1: phi = -0.367630466432 TCL: Center of mass = 7.31896811881 -0.0379360404343 -1.54579845889 TCL: atom 1: phi = -0.367383130437 TCL: Center of mass = 7.32200429449 -0.0382387549216 -1.54604503095 TCL: atom 1: phi = -0.367399455296 TCL: Center of mass = 7.32504799019 -0.038540391049 -1.54628929245 TCL: atom 1: phi = -0.366981810568 TCL: Center of mass = 7.32810077768 -0.0388382157687 -1.54653925657 TCL: atom 1: phi = -0.366733622133 TCL: Center of mass = 7.33117003921 -0.0391402913672 -1.54680484948 TCL: atom 1: phi = -0.366080288244 TCL: Center of mass = 7.33423914545 -0.0394441103313 -1.54705649003 TCL: atom 1: phi = -0.365696699633 TCL: Center of mass = 7.33730905866 -0.039748306063 -1.54731788058 TCL: atom 1: phi = -0.365004247504 TCL: Center of mass = 7.34038003818 -0.0400531711051 -1.54759236002 TCL: atom 1: phi = -0.364673453008 TCL: Center of mass = 7.34343334954 -0.0403588874325 -1.54788042372 TCL: atom 1: phi = -0.36416211625 TCL: Center of mass = 7.34649007224 -0.0406554162765 -1.54818027094 TCL: atom 1: phi = -0.364055609052 TCL: Center of mass = 7.34954604027 -0.0409524741678 -1.54847515799 TCL: atom 1: phi = -0.363710795697 TCL: Center of mass = 7.35260468579 -0.0412377202937 -1.54877342184 TCL: atom 1: phi = -0.363812532311 TCL: Center of mass = 7.35566614787 -0.041520117846 -1.54905822411 TCL: atom 1: phi = -0.363745489522 TCL: Center of mass = 7.3587213716 -0.041802936495 -1.54934511844 TCL: atom 1: phi = -0.364082414722 TCL: Center of mass = 7.36177449263 -0.0420818971473 -1.54962723389 TCL: atom 1: phi = -0.364235141481 TCL: Center of mass = 7.3648261525 -0.0423532909468 -1.54991335138 TCL: atom 1: phi = -0.364910319228 TCL: Center of mass = 7.36788156746 -0.0426265709912 -1.55019547551 TCL: atom 1: phi = -0.365473444017 TCL: Center of mass = 7.37093073566 -0.0428968550578 -1.55047364061 TCL: atom 1: phi = -0.366526400691 TCL: Center of mass = 7.37396982202 -0.043169455758 -1.55076006368 TCL: atom 1: phi = -0.367457533596 TCL: Center of mass = 7.37700723078 -0.0434283116995 -1.55105445295 TCL: atom 1: phi = -0.368792576732 TCL: Center of mass = 7.3800542108 -0.0436891170927 -1.55135454319 TCL: atom 1: phi = -0.369923650985 TCL: Center of mass = 7.38310670029 -0.0439510277969 -1.55165707029 TCL: atom 1: phi = -0.37126422454 TCL: Center of mass = 7.38615523346 -0.0442213930022 -1.55196309426 TCL: atom 1: phi = -0.372250948103 TCL: Center of mass = 7.38920415006 -0.0445111996909 -1.5522778489 TCL: atom 1: phi = -0.373264260574 TCL: Center of mass = 7.39225580295 -0.0447946194334 -1.5525902023 TCL: atom 1: phi = -0.373889080445 TCL: Center of mass = 7.39531363235 -0.0450736415544 -1.55290448982 TCL: atom 1: phi = -0.374551858139 TCL: Center of mass = 7.39838392995 -0.0453512578072 -1.55320352787 TCL: atom 1: phi = -0.374897909357 TCL: Center of mass = 7.4014560591 -0.0456375675774 -1.55350553797 TCL: atom 1: phi = -0.375308534266 TCL: Center of mass = 7.40452666838 -0.045924016788 -1.55378993494 TCL: atom 1: phi = -0.37540626371 TCL: Center of mass = 7.40758861044 -0.0461975515653 -1.5540827544 TCL: atom 1: phi = -0.375676084087 TCL: Center of mass = 7.41065247115 -0.0464713164305 -1.55437660649 TCL: atom 1: phi = -0.375634068271 TCL: Center of mass = 7.41373230055 -0.046750694605 -1.55467690487 TCL: atom 1: phi = -0.375709626409 TCL: Center of mass = 7.41680513335 -0.0470290621296 -1.55496793947 TCL: atom 1: phi = -0.375461739102 TCL: Center of mass = 7.41988079735 -0.047295844389 -1.55525257592 TCL: atom 1: phi = -0.375292596908 TCL: Center of mass = 7.42294657479 -0.0475756620786 -1.55553353027 TCL: atom 1: phi = -0.37485511566 TCL: Center of mass = 7.42600856934 -0.0478572609824 -1.55582488384 TCL: atom 1: phi = -0.374592393699 TCL: Center of mass = 7.42907724454 -0.0481344364062 -1.55611556596 TCL: atom 1: phi = -0.374144545376 TCL: Center of mass = 7.43214674311 -0.0484083110669 -1.55640287081 TCL: atom 1: phi = -0.374051565478 TCL: Center of mass = 7.43521709807 -0.0486847134842 -1.55667595053 TCL: atom 1: phi = -0.373909035243 TCL: Center of mass = 7.43828044149 -0.0489559243118 -1.55693090632 TCL: atom 1: phi = -0.374136456292 TCL: Center of mass = 7.44133901214 -0.0492258925965 -1.55718275759 TCL: atom 1: phi = -0.374268169299 TCL: Center of mass = 7.44439527777 -0.0494959070101 -1.55743819194 TCL: atom 1: phi = -0.374683432603 TCL: Center of mass = 7.4474464951 -0.0497632315945 -1.55769533527 TCL: atom 1: phi = -0.374962482025 TCL: Center of mass = 7.45049662576 -0.0500317585131 -1.55795404349 TCL: atom 1: phi = -0.375436513348 TCL: Center of mass = 7.45354457553 -0.0503100304012 -1.55821179763 TCL: atom 1: phi = -0.375671828846 TCL: Center of mass = 7.45659350156 -0.0505841931173 -1.55845914879 TCL: atom 1: phi = -0.376138485212 TCL: Center of mass = 7.45964906072 -0.0508612645691 -1.55868636633 TCL: atom 1: phi = -0.376435532928 TCL: Center of mass = 7.46271580783 -0.0511395673762 -1.55892145276 TCL: atom 1: phi = -0.377031234586 TCL: Center of mass = 7.46577891162 -0.0514210733088 -1.55914721155 TCL: atom 1: phi = -0.37755738934 TCL: Center of mass = 7.46883654567 -0.0517104567309 -1.55937827428 TCL: atom 1: phi = -0.378473896177 TCL: Center of mass = 7.47189601688 -0.0519957122801 -1.55961655395 TCL: atom 1: phi = -0.379389176085 TCL: Center of mass = 7.4749490621 -0.0522626071363 -1.55986146309 TCL: atom 1: phi = -0.380586457359 TCL: Center of mass = 7.47800498093 -0.0525166390866 -1.56011936641 TCL: atom 1: phi = -0.381611911978 TCL: Center of mass = 7.48105701469 -0.0527651059814 -1.56037542627 TCL: atom 1: phi = -0.38289786882 TCL: Center of mass = 7.48410486807 -0.0530120102104 -1.56063392459 TCL: atom 1: phi = -0.383969518501 TCL: Center of mass = 7.48715638342 -0.0532617997686 -1.56089466945 TCL: atom 1: phi = -0.385259611326 TCL: Center of mass = 7.49020409541 -0.0535104471649 -1.56115127561 TCL: atom 1: phi = -0.386311816356 TCL: Center of mass = 7.49325130556 -0.0537547645758 -1.56142144028 TCL: atom 1: phi = -0.38762077351 TCL: Center of mass = 7.49630875088 -0.0540007944337 -1.56169031958 TCL: atom 1: phi = -0.388757493961 TCL: Center of mass = 7.49936248419 -0.0542564088487 -1.56194680332 TCL: atom 1: phi = -0.390122369298 TCL: Center of mass = 7.50241223994 -0.0545054957051 -1.56221031659 TCL: atom 1: phi = -0.391250699776 TCL: Center of mass = 7.50545819985 -0.0547459787316 -1.56247717765 TCL: atom 1: phi = -0.392507928084 TCL: Center of mass = 7.50849103901 -0.0549841753663 -1.56273970108 TCL: atom 1: phi = -0.393363027862 TCL: Center of mass = 7.51152195718 -0.0552231530047 -1.56301085253 TCL: atom 1: phi = -0.394100010616 TCL: Center of mass = 7.51454083537 -0.0554582913956 -1.56329608497 TCL: atom 1: phi = -0.394349161355 TCL: Center of mass = 7.51756438441 -0.0556868699126 -1.56359745551 TCL: atom 1: phi = -0.394503195128 TCL: Center of mass = 7.52058945496 -0.055909113746 -1.56390030588 TCL: atom 1: phi = -0.394165463158 TCL: Center of mass = 7.52360584227 -0.0561423036052 -1.56420899455 TCL: atom 1: phi = -0.393828183194 TCL: Center of mass = 7.52662355508 -0.0563842094146 -1.56451158804 TCL: atom 1: phi = -0.393171623568 TCL: Center of mass = 7.52963143057 -0.0566359281678 -1.56480968457 TCL: atom 1: phi = -0.39269371051 TCL: Center of mass = 7.53265132858 -0.0568922900621 -1.5651171227 TCL: atom 1: phi = -0.391939630331 TCL: Center of mass = 7.53566478754 -0.0571385875845 -1.56542944915 TCL: atom 1: phi = -0.391411694864 TCL: Center of mass = 7.53866347179 -0.057379588472 -1.56573604197 TCL: atom 1: phi = -0.390584794205 TCL: Center of mass = 7.54166660303 -0.0576268988658 -1.56604342647 TCL: atom 1: phi = -0.389976718678 TCL: Center of mass = 7.54468056901 -0.0578821095492 -1.56635579958 TCL: atom 1: phi = -0.389050633348 TCL: Center of mass = 7.54769836531 -0.0581485621735 -1.56667146923 TCL: atom 1: phi = -0.38836183716 TCL: Center of mass = 7.55071447253 -0.0584140119561 -1.56698091529 TCL: atom 1: phi = -0.387337313172 TIMING: 3600 CPU: 610.112, 0.170134/step Wall: 746.557, 0.208324/step, 0.949032 hours remaining, 20325 kB of memory in use. ENERGY: 3600 411.0213 713.9002 410.5340 55.2021 -2783.4204 -223.6416 0.0000 0.0000 1104.9753 -311.4291 301.1367 -302.8804 -302.6596 310.8454 331.1250 -83.2525 64000.0000 288.6786 291.3142 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600 WRITING COORDINATES TO DCD FILE AT STEP 3600 WRITING COORDINATES TO RESTART FILE AT STEP 3600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 7.55372041336 -0.0586927134082 -1.56729103321 TCL: atom 1: phi = -0.386649087279 TCL: Center of mass = 7.55672293915 -0.0589761046049 -1.56758784864 TCL: atom 1: phi = -0.385731588142 TCL: Center of mass = 7.55971711304 -0.0592654073957 -1.56787505259 TCL: atom 1: phi = -0.385319939601 TCL: Center of mass = 7.56271705516 -0.0595597895924 -1.56815567379 TCL: atom 1: phi = -0.384790949226 TCL: Center of mass = 7.56571276485 -0.0598481668807 -1.56844002179 TCL: atom 1: phi = -0.384800276924 TCL: Center of mass = 7.56871126648 -0.0601447218585 -1.56872324063 TCL: atom 1: phi = -0.384572859502 TCL: Center of mass = 7.5717084384 -0.0604404315966 -1.56901304033 TCL: atom 1: phi = -0.384757944362 TCL: Center of mass = 7.57470336875 -0.0607304359582 -1.56929756079 TCL: atom 1: phi = -0.384659293923 TCL: Center of mass = 7.57769028834 -0.0610181496035 -1.569563675 TCL: atom 1: phi = -0.384981186945 TCL: Center of mass = 7.58068031718 -0.0613135642748 -1.56984328127 TCL: atom 1: phi = -0.385041578063 TCL: Center of mass = 7.58368137042 -0.0616146836489 -1.57012054732 TCL: atom 1: phi = -0.385522154882 TCL: Center of mass = 7.58667967395 -0.0619149806661 -1.57039183227 TCL: atom 1: phi = -0.38579944453 TCL: Center of mass = 7.5896785538 -0.0622235236559 -1.5706532178 TCL: atom 1: phi = -0.386547203736 TCL: Center of mass = 7.59267489861 -0.0625421693966 -1.57092095409 TCL: atom 1: phi = -0.38713867467 TCL: Center of mass = 7.5956637651 -0.0628530657647 -1.57119398887 TCL: atom 1: phi = -0.388214415999 TCL: Center of mass = 7.59866825139 -0.0631634344403 -1.57147808195 TCL: atom 1: phi = -0.389117551183 TCL: Center of mass = 7.60167251133 -0.0634680540448 -1.57176421141 TCL: atom 1: phi = -0.390403783253 TCL: Center of mass = 7.60467691665 -0.0637818192423 -1.5720562263 TCL: atom 1: phi = -0.391371291281 TCL: Center of mass = 7.60767800382 -0.0641012110658 -1.5723595201 TCL: atom 1: phi = -0.392552407716 TCL: Center of mass = 7.61067163291 -0.0644268295758 -1.57266377646 TCL: atom 1: phi = -0.393314272788 TCL: Center of mass = 7.61366329489 -0.0647623895264 -1.57296043595 TCL: atom 1: phi = -0.394233302598 TCL: Center of mass = 7.61666360438 -0.0650930975531 -1.57325286255 TCL: atom 1: phi = -0.394720577285 TCL: Center of mass = 7.61966527156 -0.065415723012 -1.57354646935 TCL: atom 1: phi = -0.395371842528 TCL: Center of mass = 7.62266174889 -0.0657358836817 -1.57384072028 TCL: atom 1: phi = -0.395696904643 TCL: Center of mass = 7.62566282067 -0.0660709460301 -1.57413907595 TCL: atom 1: phi = -0.396239599655 TCL: Center of mass = 7.62865199511 -0.0664111842929 -1.57444478582 TCL: atom 1: phi = -0.396384022208 TCL: Center of mass = 7.63163671726 -0.0667497818688 -1.57474774283 TCL: atom 1: phi = -0.396690954604 TCL: Center of mass = 7.63462177878 -0.0670994218097 -1.57505708467 TCL: atom 1: phi = -0.396587872096 TCL: Center of mass = 7.6376144984 -0.0674484639701 -1.57536995138 TCL: atom 1: phi = -0.396560017091 TCL: Center of mass = 7.64061066131 -0.0678048704053 -1.57567970197 TCL: atom 1: phi = -0.396078348555 TCL: Center of mass = 7.64360815069 -0.0681678724514 -1.57598887605 TCL: atom 1: phi = -0.395769504651 TCL: Center of mass = 7.64661022623 -0.0685252407677 -1.57630375576 TCL: atom 1: phi = -0.395088551805 TCL: Center of mass = 7.64959596091 -0.0688739039377 -1.57661178759 TCL: atom 1: phi = -0.394765124309 TCL: Center of mass = 7.65258132937 -0.069220889079 -1.57691940709 TCL: atom 1: phi = -0.394185054316 TCL: Center of mass = 7.65557765995 -0.0695651960323 -1.57722190263 TCL: atom 1: phi = -0.394080143953 TCL: Center of mass = 7.65857586036 -0.0699054353942 -1.57751498005 TCL: atom 1: phi = -0.393838109331 TCL: Center of mass = 7.66156927894 -0.0702404040484 -1.57779865895 TCL: atom 1: phi = -0.394006449587 TCL: Center of mass = 7.66457601082 -0.0705773785118 -1.57808284379 TCL: atom 1: phi = -0.393951341697 TCL: Center of mass = 7.66758929391 -0.070908654586 -1.57836810207 TCL: atom 1: phi = -0.394194222758 TCL: Center of mass = 7.67059284985 -0.0712376654277 -1.57865411672 TCL: atom 1: phi = -0.394073908449 TCL: Center of mass = 7.67360442294 -0.071559007219 -1.5789410034 TCL: atom 1: phi = -0.394162544726 TCL: Center of mass = 7.67661820678 -0.0718975868252 -1.57922884428 TCL: atom 1: phi = -0.393937942682 TCL: Center of mass = 7.67962722506 -0.0722458589751 -1.57951823737 TCL: atom 1: phi = -0.393972799758 TCL: Center of mass = 7.68263948798 -0.0725892861073 -1.57980280781 TCL: atom 1: phi = -0.393737452562 TCL: Center of mass = 7.68565908104 -0.0729256731077 -1.58009500582 TCL: atom 1: phi = -0.393839520797 TCL: Center of mass = 7.6886728811 -0.0732583398177 -1.58038003391 TCL: atom 1: phi = -0.393724312547 TCL: Center of mass = 7.69167167915 -0.0735914265815 -1.58066414622 TCL: atom 1: phi = -0.393864669139 TCL: Center of mass = 7.69466789628 -0.0739226280581 -1.58094288894 TCL: atom 1: phi = -0.393682993562 TCL: Center of mass = 7.6976636193 -0.0742587591148 -1.58121831479 TCL: atom 1: phi = -0.393702905962 TCL: Center of mass = 7.70066474366 -0.07460073672 -1.58148616443 TCL: atom 1: phi = -0.393349470683 TCL: Center of mass = 7.70367213154 -0.0749517075867 -1.58175370963 TCL: atom 1: phi = -0.393236672616 TCL: Center of mass = 7.70668949998 -0.0753038171981 -1.58201691049 TCL: atom 1: phi = -0.392825798341 TCL: Center of mass = 7.70970611799 -0.0756534644999 -1.58228270763 TCL: atom 1: phi = -0.392783865984 TCL: Center of mass = 7.71271365896 -0.0759953004169 -1.58255121564 TCL: atom 1: phi = -0.392524533375 TCL: Center of mass = 7.71571988074 -0.076340390614 -1.58282241995 TCL: atom 1: phi = -0.392636612088 TCL: Center of mass = 7.71872130499 -0.0766959332589 -1.58308982899 TCL: atom 1: phi = -0.392545073352 TCL: Center of mass = 7.72172247521 -0.0770753809325 -1.58336359179 TCL: atom 1: phi = -0.392805917718 TCL: Center of mass = 7.72473062425 -0.0774472073573 -1.5836527065 TCL: atom 1: phi = -0.392784049881 TCL: Center of mass = 7.72774503566 -0.0778153409891 -1.58394262512 TCL: atom 1: phi = -0.392938058047 TCL: Center of mass = 7.73075622031 -0.0781842826851 -1.58423444395 TCL: atom 1: phi = -0.392702956997 TCL: Center of mass = 7.73375668863 -0.0785599432415 -1.58453312102 TCL: atom 1: phi = -0.392577287197 TCL: Center of mass = 7.73676007147 -0.0789310519307 -1.58482807753 TCL: atom 1: phi = -0.392028474422 TCL: Center of mass = 7.73976441167 -0.0793080348834 -1.58512365868 TCL: atom 1: phi = -0.39162806913 TCL: Center of mass = 7.74278327615 -0.0796795922891 -1.58540921208 TCL: atom 1: phi = -0.390864251988 TCL: Center of mass = 7.74580581768 -0.0800502828376 -1.58569964054 TCL: atom 1: phi = -0.390364970939 TCL: Center of mass = 7.74883656397 -0.0804262001826 -1.58599951104 TCL: atom 1: phi = -0.38952909815 TCL: Center of mass = 7.7518734142 -0.0808003364386 -1.58630646905 TCL: atom 1: phi = -0.388918984852 TCL: Center of mass = 7.75491226762 -0.0811607868003 -1.58660346193 TCL: atom 1: phi = -0.387998140561 TCL: Center of mass = 7.75795871467 -0.081518765953 -1.58691185107 TCL: atom 1: phi = -0.38731188932 TCL: Center of mass = 7.76099918273 -0.0818801589105 -1.58722792451 TCL: atom 1: phi = -0.386298362223 TCL: Center of mass = 7.76404147146 -0.0822449725549 -1.5875373558 TCL: atom 1: phi = -0.385531222097 TCL: Center of mass = 7.76707780088 -0.0826148249234 -1.58785203447 TCL: atom 1: phi = -0.384489904001 TCL: Center of mass = 7.7701243109 -0.0829918707549 -1.58815921296 TCL: atom 1: phi = -0.38386218039 TCL: Center of mass = 7.77316797684 -0.0833807638495 -1.58847026819 TCL: atom 1: phi = -0.383094717203 TCL: Center of mass = 7.7762045307 -0.0837616311288 -1.5887895185 TCL: atom 1: phi = -0.382783217892 TCL: Center of mass = 7.77923634304 -0.08414640837 -1.58911214828 TCL: atom 1: phi = -0.382376968501 TCL: Center of mass = 7.782266068 -0.0845368540868 -1.58943955774 TCL: atom 1: phi = -0.382423715149 TCL: Center of mass = 7.78529246398 -0.0849259812976 -1.58977965742 TCL: atom 1: phi = -0.382231389784 TCL: Center of mass = 7.78831583809 -0.0853127334638 -1.59011759153 TCL: atom 1: phi = -0.382375881759 TCL: Center of mass = 7.79133516088 -0.08569931656 -1.59045728251 TCL: atom 1: phi = -0.382254577271 TCL: Center of mass = 7.79436795298 -0.086087610331 -1.59079206706 TCL: atom 1: phi = -0.382337412949 TCL: Center of mass = 7.79738986374 -0.0864831186563 -1.59113013692 TCL: atom 1: phi = -0.382011345239 TCL: Center of mass = 7.80041368488 -0.0868883100016 -1.59147730429 TCL: atom 1: phi = -0.381936056894 TCL: Center of mass = 7.80344681966 -0.0873031611579 -1.59182978326 TCL: atom 1: phi = -0.381605408398 TCL: Center of mass = 7.80648459507 -0.0877197500165 -1.59217711606 TCL: atom 1: phi = -0.381538393823 TCL: Center of mass = 7.80953099334 -0.0881294745649 -1.59253589881 TCL: atom 1: phi = -0.381299563197 TCL: Center of mass = 7.81256578142 -0.0885409562498 -1.59289165972 TCL: atom 1: phi = -0.381397703538 TCL: Center of mass = 7.81560962207 -0.0889490954789 -1.59325135254 TCL: atom 1: phi = -0.381283234054 TCL: Center of mass = 7.81865782587 -0.0893546857655 -1.59360178888 TCL: atom 1: phi = -0.381485209926 TCL: Center of mass = 7.82169741676 -0.0897605080214 -1.59395447638 TCL: atom 1: phi = -0.381393635242 TCL: Center of mass = 7.82474202311 -0.090167497283 -1.59430236065 TCL: atom 1: phi = -0.381552003925 TCL: Center of mass = 7.82779212998 -0.0905707357971 -1.59464610142 TCL: atom 1: phi = -0.381397309458 TCL: Center of mass = 7.83083718055 -0.0909759511034 -1.59498076385 TCL: atom 1: phi = -0.381620808247 TCL: Center of mass = 7.83386738699 -0.0913770570559 -1.59531000587 TCL: atom 1: phi = -0.381634914557 TCL: Center of mass = 7.83689090078 -0.0917810690574 -1.59564934405 TCL: atom 1: phi = -0.382139958943 TCL: Center of mass = 7.83991050474 -0.0921893851835 -1.59600615929 TCL: atom 1: phi = -0.382535609781 TCL: Center of mass = 7.84292950653 -0.0926032315745 -1.59636494327 TCL: atom 1: phi = -0.383358062764 TCL: Center of mass = 7.84596056695 -0.0930190650976 -1.5967282397 TCL: atom 1: phi = -0.383969836078 TCL: Center of mass = 7.8489897952 -0.0934381564987 -1.59709894176 TCL: atom 1: phi = -0.384831524429 TCL: Center of mass = 7.85201236151 -0.0938707137588 -1.59748179878 TCL: atom 1: phi = -0.385370013074 TIMING: 3700 CPU: 627.157, 0.170444/step Wall: 767.469, 0.209123/step, 0.946861 hours remaining, 20348 kB of memory in use. ENERGY: 3700 389.5820 684.6022 415.5291 46.7574 -2766.6839 -220.1415 0.0000 0.0000 1147.6892 -302.6655 312.7774 -294.2551 -293.3488 310.9270 243.2878 70.1850 64000.0000 228.3895 227.6774 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700 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 TCL: Center of mass = 7.85503164649 -0.0943098322155 -1.59786518339 TCL: atom 1: phi = -0.385982754138 TCL: Center of mass = 7.85805636329 -0.0947449931339 -1.5982442852 TCL: atom 1: phi = -0.386202091182 TCL: Center of mass = 7.86107778789 -0.0951774878642 -1.59861995431 TCL: atom 1: phi = -0.386434862412 TCL: Center of mass = 7.86410338174 -0.0956161555236 -1.59899719676 TCL: atom 1: phi = -0.38627030768 TCL: Center of mass = 7.86711916062 -0.0960641893827 -1.5993690048 TCL: atom 1: phi = -0.386237756288 TCL: Center of mass = 7.87013373237 -0.0965156871233 -1.59973508385 TCL: atom 1: phi = -0.38592353841 TCL: Center of mass = 7.87315143191 -0.0969660385602 -1.60010406679 TCL: atom 1: phi = -0.385779954166 TCL: Center of mass = 7.87618327079 -0.0974159541893 -1.60048050141 TCL: atom 1: phi = -0.385394941289 TCL: Center of mass = 7.87921026574 -0.0978728015952 -1.60085914037 TCL: atom 1: phi = -0.385216108299 TCL: Center of mass = 7.8822323904 -0.0983313263676 -1.60123338319 TCL: atom 1: phi = -0.38477666813 TCL: Center of mass = 7.88525320794 -0.0987821536122 -1.60159530646 TCL: atom 1: phi = -0.384551345616 TCL: Center of mass = 7.8882638533 -0.0992289167819 -1.60195684106 TCL: atom 1: phi = -0.384134221629 TCL: Center of mass = 7.89127257904 -0.0996815446401 -1.60230607634 TCL: atom 1: phi = -0.383894344401 TCL: Center of mass = 7.89427000312 -0.100128844258 -1.60264757607 TCL: atom 1: phi = -0.383494100812 TCL: Center of mass = 7.89727389196 -0.100566344282 -1.6030026346 TCL: atom 1: phi = -0.383362705894 TCL: Center of mass = 7.90028010197 -0.101009056062 -1.60335241012 TCL: atom 1: phi = -0.383149003397 TCL: Center of mass = 7.90330206552 -0.101462105422 -1.60371451909 TCL: atom 1: phi = -0.383279301058 TCL: Center of mass = 7.90631360063 -0.101904935845 -1.604075552 TCL: atom 1: phi = -0.383294062132 TCL: Center of mass = 7.90932313845 -0.102343223776 -1.60444609916 TCL: atom 1: phi = -0.38355859173 TCL: Center of mass = 7.91233444099 -0.10278671562 -1.60482097426 TCL: atom 1: phi = -0.38369472857 TCL: Center of mass = 7.91534427633 -0.103232308885 -1.60520016681 TCL: atom 1: phi = -0.383992986502 TCL: Center of mass = 7.91834404626 -0.103664257311 -1.60558371118 TCL: atom 1: phi = -0.384022416233 TCL: Center of mass = 7.92134649421 -0.104087146777 -1.60597288228 TCL: atom 1: phi = -0.384132361906 TCL: Center of mass = 7.92435613123 -0.104509387959 -1.60636842153 TCL: atom 1: phi = -0.383942469033 TCL: Center of mass = 7.92735830856 -0.104940498643 -1.60675667893 TCL: atom 1: phi = -0.383860616865 TCL: Center of mass = 7.93034783805 -0.10536781154 -1.60715252625 TCL: atom 1: phi = -0.383563828223 TCL: Center of mass = 7.93332800333 -0.105803832701 -1.60753375205 TCL: atom 1: phi = -0.383445343194 TCL: Center of mass = 7.93631173297 -0.106243585674 -1.60791434093 TCL: atom 1: phi = -0.383225146184 TCL: Center of mass = 7.9392926155 -0.106686580122 -1.60829113292 TCL: atom 1: phi = -0.383266057992 TCL: Center of mass = 7.94228213073 -0.107140886624 -1.60866136024 TCL: atom 1: phi = -0.383229656522 TCL: Center of mass = 7.94526822786 -0.107592553868 -1.60903185432 TCL: atom 1: phi = -0.383388840289 TCL: Center of mass = 7.94825486896 -0.108040404201 -1.60940938057 TCL: atom 1: phi = -0.383376631626 TCL: Center of mass = 7.95123562034 -0.108481022833 -1.60978926597 TCL: atom 1: phi = -0.383498166164 TCL: Center of mass = 7.95422611479 -0.108920090423 -1.61016837758 TCL: atom 1: phi = -0.38346405094 TCL: Center of mass = 7.95721579339 -0.109363931286 -1.61054017334 TCL: atom 1: phi = -0.383629197497 TCL: Center of mass = 7.96019375891 -0.109806689356 -1.61091564738 TCL: atom 1: phi = -0.383685141762 TCL: Center of mass = 7.96316571941 -0.110249044099 -1.61127900057 TCL: atom 1: phi = -0.3839521613 TCL: Center of mass = 7.96614282207 -0.110687264417 -1.61164101463 TCL: atom 1: phi = -0.384082257329 TCL: Center of mass = 7.96911653584 -0.111120847997 -1.61198625014 TCL: atom 1: phi = -0.38438011275 TCL: Center of mass = 7.9720824793 -0.111561907027 -1.61233592233 TCL: atom 1: phi = -0.384417856501 TCL: Center of mass = 7.9750563421 -0.112000966613 -1.61267990376 TCL: atom 1: phi = -0.384474179401 TCL: Center of mass = 7.97803350241 -0.112443425209 -1.61301462126 TCL: atom 1: phi = -0.38418789402 TCL: Center of mass = 7.98100971404 -0.112892105297 -1.61335538543 TCL: atom 1: phi = -0.383755913936 TCL: Center of mass = 7.98399032511 -0.113347577351 -1.61369979128 TCL: atom 1: phi = -0.382921470923 TCL: Center of mass = 7.9869586748 -0.11380562194 -1.61403411265 TCL: atom 1: phi = -0.38203835998 TCL: Center of mass = 7.98993466706 -0.114267721383 -1.61437184934 TCL: atom 1: phi = -0.380914530752 TCL: Center of mass = 7.99291150534 -0.114724217589 -1.61471264847 TCL: atom 1: phi = -0.379951376822 TCL: Center of mass = 7.99589756128 -0.11519311555 -1.61506974581 TCL: atom 1: phi = -0.378861171736 TCL: Center of mass = 7.99887668694 -0.115656774934 -1.61542809609 TCL: atom 1: phi = -0.377978253473 TCL: Center of mass = 8.00184700364 -0.116112115421 -1.61578720368 TCL: atom 1: phi = -0.37698564918 TCL: Center of mass = 8.00482420562 -0.116568218489 -1.61615049514 TCL: atom 1: phi = -0.376223488924 TCL: Center of mass = 8.00781383406 -0.117036844666 -1.6165094606 TCL: atom 1: phi = -0.37532246932 TCL: Center of mass = 8.01080494224 -0.11749618087 -1.61685847327 TCL: atom 1: phi = -0.374628618205 TCL: Center of mass = 8.0137988058 -0.117958758562 -1.61721138838 TCL: atom 1: phi = -0.373787828104 TCL: Center of mass = 8.01679086746 -0.118426643324 -1.61755961263 TCL: atom 1: phi = -0.373199993653 TCL: Center of mass = 8.01978119333 -0.11889606369 -1.61790595025 TCL: atom 1: phi = -0.372487997721 TCL: Center of mass = 8.02278107371 -0.119367443682 -1.61824425283 TCL: atom 1: phi = -0.372068267042 TCL: Center of mass = 8.02579177748 -0.11984386944 -1.61858149032 TCL: atom 1: phi = -0.371483654483 TCL: Center of mass = 8.02880140044 -0.12032664986 -1.6189290264 TCL: atom 1: phi = -0.37117482965 TCL: Center of mass = 8.03181636169 -0.120810054397 -1.61927360011 TCL: atom 1: phi = -0.370697854505 TCL: Center of mass = 8.03482676976 -0.121296781845 -1.6196137728 TCL: atom 1: phi = -0.370444093257 TCL: Center of mass = 8.03783693306 -0.121776212832 -1.61995282599 TCL: atom 1: phi = -0.36990720622 TCL: Center of mass = 8.0408427567 -0.122257490255 -1.62029384314 TCL: atom 1: phi = -0.369476121303 TCL: Center of mass = 8.04384291124 -0.122730652016 -1.62063755515 TCL: atom 1: phi = -0.368761135535 TCL: Center of mass = 8.04684840219 -0.123196280676 -1.62099340367 TCL: atom 1: phi = -0.368234990258 TCL: Center of mass = 8.04986216826 -0.123662697415 -1.62133899165 TCL: atom 1: phi = -0.367515006268 TCL: Center of mass = 8.05287276899 -0.124127642446 -1.62169269859 TCL: atom 1: phi = -0.367142798395 TCL: Center of mass = 8.05587615428 -0.124588593107 -1.62204963338 TCL: atom 1: phi = -0.36667108362 TCL: Center of mass = 8.05888381117 -0.125051713646 -1.62240463322 TCL: atom 1: phi = -0.36662186207 TCL: Center of mass = 8.06191022092 -0.125523536531 -1.62274524897 TCL: atom 1: phi = -0.366437213828 TCL: Center of mass = 8.06493117721 -0.126002160268 -1.62307252212 TCL: atom 1: phi = -0.366660146571 TCL: Center of mass = 8.06795633966 -0.12646917924 -1.62338794533 TCL: atom 1: phi = -0.366721442675 TCL: Center of mass = 8.07099372768 -0.126935293619 -1.6237116474 TCL: atom 1: phi = -0.367126059273 TCL: Center of mass = 8.07403317078 -0.127421477177 -1.62404493862 TCL: atom 1: phi = -0.367314301389 TCL: Center of mass = 8.07706995646 -0.127899666545 -1.62437498474 TCL: atom 1: phi = -0.367781038047 TCL: Center of mass = 8.08011308665 -0.128385333097 -1.62469986847 TCL: atom 1: phi = -0.367975489226 TCL: Center of mass = 8.08316551649 -0.128866973995 -1.6250211377 TCL: atom 1: phi = -0.368473406 TCL: Center of mass = 8.08623675097 -0.129349696146 -1.62533198352 TCL: atom 1: phi = -0.36861678258 TCL: Center of mass = 8.08930174019 -0.129839150071 -1.62565082489 TCL: atom 1: phi = -0.368956026212 TCL: Center of mass = 8.09237705889 -0.130328298997 -1.62597709359 TCL: atom 1: phi = -0.368900775224 TCL: Center of mass = 8.09544758179 -0.130822295248 -1.62629551549 TCL: atom 1: phi = -0.368995038311 TCL: Center of mass = 8.0985290107 -0.131304790843 -1.62660997982 TCL: atom 1: phi = -0.368659511567 TCL: Center of mass = 8.10160525049 -0.131793196635 -1.6269291796 TCL: atom 1: phi = -0.368416688063 TCL: Center of mass = 8.10468874082 -0.132276609136 -1.62724805901 TCL: atom 1: phi = -0.367700073965 TCL: Center of mass = 8.10778716148 -0.132759146339 -1.62756281785 TCL: atom 1: phi = -0.367098729518 TCL: Center of mass = 8.11088459282 -0.133244489102 -1.62787839056 TCL: atom 1: phi = -0.366044979825 TCL: Center of mass = 8.11398505603 -0.133731053136 -1.62819246586 TCL: atom 1: phi = -0.365261655599 TCL: Center of mass = 8.11708391241 -0.134217809329 -1.62850016518 TCL: atom 1: phi = -0.364203756832 TCL: Center of mass = 8.12018265782 -0.134711424588 -1.62880550976 TCL: atom 1: phi = -0.363565997633 TCL: Center of mass = 8.12328768663 -0.135203643221 -1.62912121295 TCL: atom 1: phi = -0.362686852234 TCL: Center of mass = 8.12637888392 -0.135695382226 -1.62943266295 TCL: atom 1: phi = -0.362273758449 TCL: Center of mass = 8.12946840804 -0.136179022257 -1.62974355225 TCL: atom 1: phi = -0.361642868 TCL: Center of mass = 8.13256701556 -0.136658379894 -1.63005103628 TCL: atom 1: phi = -0.36143496068 TCL: Center of mass = 8.13567239689 -0.137155600128 -1.63035946775 TCL: atom 1: phi = -0.361007977181 TCL: Center of mass = 8.138785279 -0.137652243181 -1.63065949105 TCL: atom 1: phi = -0.361003446416 TCL: Center of mass = 8.14190588406 -0.138150269274 -1.63095753873 TCL: atom 1: phi = -0.360740725483 TCL: Center of mass = 8.14503707669 -0.138648374369 -1.63123823154 TCL: atom 1: phi = -0.360930808598 TCL: Center of mass = 8.14817143134 -0.139150138502 -1.63151529147 TCL: atom 1: phi = -0.360907428856 TCL: Center of mass = 8.151290228 -0.139651068606 -1.63179255114 TCL: atom 1: phi = -0.361303998318 TCL: Center of mass = 8.15440279848 -0.14014309331 -1.63208530255 TCL: atom 1: phi = -0.361395130231 TIMING: 3800 CPU: 644.13, 0.169734/step Wall: 788.252, 0.207824/step, 0.935208 hours remaining, 20349 kB of memory in use. ENERGY: 3800 410.6527 689.6072 421.4956 54.0205 -2793.6712 -204.6853 0.0000 0.0000 1131.5072 -291.0734 308.3674 -282.2769 -282.7406 310.3176 433.5770 526.6223 64000.0000 64.8002 66.4080 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800 WRITING COORDINATES TO DCD FILE AT STEP 3800 WRITING COORDINATES TO RESTART FILE AT STEP 3800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.1575176617 -0.140638909762 -1.63237021947 TCL: atom 1: phi = -0.361803529882 TCL: Center of mass = 8.16061748068 -0.141141078817 -1.63266586586 TCL: atom 1: phi = -0.36190894894 TCL: Center of mass = 8.16371862624 -0.1416436087 -1.63296089247 TCL: atom 1: phi = -0.36233987339 TCL: Center of mass = 8.16681382871 -0.142140050127 -1.63325143815 TCL: atom 1: phi = -0.362427113557 TCL: Center of mass = 8.16990142041 -0.142632170266 -1.63353684242 TCL: atom 1: phi = -0.362855857309 TCL: Center of mass = 8.1729929513 -0.143123744378 -1.63383780388 TCL: atom 1: phi = -0.362987861689 TCL: Center of mass = 8.17607994059 -0.143613886406 -1.63414197748 TCL: atom 1: phi = -0.363523458657 TCL: Center of mass = 8.17917350022 -0.144117224792 -1.63443677533 TCL: atom 1: phi = -0.36380682956 TCL: Center of mass = 8.18226606278 -0.144608036242 -1.63472132361 TCL: atom 1: phi = -0.364621620259 TCL: Center of mass = 8.18535982471 -0.145093539141 -1.63499843067 TCL: atom 1: phi = -0.365288619767 TCL: Center of mass = 8.18844609801 -0.145572937109 -1.6352806871 TCL: atom 1: phi = -0.366446371108 TCL: Center of mass = 8.19154357539 -0.14604974008 -1.63555595642 TCL: atom 1: phi = -0.367468070653 TCL: Center of mass = 8.19463373011 -0.146529172804 -1.63582410925 TCL: atom 1: phi = -0.368868905813 TCL: Center of mass = 8.19772024343 -0.147009325783 -1.63610260479 TCL: atom 1: phi = -0.370029946737 TCL: Center of mass = 8.20080575265 -0.14748653744 -1.63637925773 TCL: atom 1: phi = -0.371588578519 TCL: Center of mass = 8.20390501742 -0.147978550095 -1.6366577675 TCL: atom 1: phi = -0.372867053968 TCL: Center of mass = 8.20700729752 -0.148474453401 -1.63694295375 TCL: atom 1: phi = -0.374407721259 TCL: Center of mass = 8.21012290069 -0.14896510148 -1.63723322866 TCL: atom 1: phi = -0.375655433609 TCL: Center of mass = 8.21324032721 -0.149462118495 -1.63752001946 TCL: atom 1: phi = -0.377098319432 TCL: Center of mass = 8.21636381335 -0.14996538464 -1.6378013737 TCL: atom 1: phi = -0.378166351143 TCL: Center of mass = 8.21948828009 -0.150467329198 -1.63807541863 TCL: atom 1: phi = -0.37932560056 TCL: Center of mass = 8.2226116317 -0.150968835346 -1.63834876803 TCL: atom 1: phi = -0.380052753222 TCL: Center of mass = 8.22575157057 -0.151481383973 -1.63861945786 TCL: atom 1: phi = -0.380802813164 TCL: Center of mass = 8.22889100142 -0.151997561987 -1.63889309463 TCL: atom 1: phi = -0.381129237352 TCL: Center of mass = 8.23201966826 -0.152519529784 -1.63917786971 TCL: atom 1: phi = -0.38144778189 TCL: Center of mass = 8.23514856504 -0.153037311894 -1.63945987757 TCL: atom 1: phi = -0.381416707436 TCL: Center of mass = 8.23827884557 -0.153559882017 -1.6397518863 TCL: atom 1: phi = -0.381489793575 TCL: Center of mass = 8.24140057662 -0.154076320116 -1.64004013601 TCL: atom 1: phi = -0.381302381638 TCL: Center of mass = 8.24452954966 -0.154591048029 -1.64032530881 TCL: atom 1: phi = -0.381293683817 TCL: Center of mass = 8.24764709682 -0.155109024077 -1.64061532352 TCL: atom 1: phi = -0.381056409253 TCL: Center of mass = 8.2507573994 -0.155619986655 -1.64091069591 TCL: atom 1: phi = -0.381068340319 TCL: Center of mass = 8.25386628155 -0.156123727755 -1.64120886426 TCL: atom 1: phi = -0.380872409306 TCL: Center of mass = 8.25697013462 -0.156615242288 -1.64151355204 TCL: atom 1: phi = -0.380890528503 TCL: Center of mass = 8.26008755168 -0.15710812594 -1.64181654865 TCL: atom 1: phi = -0.380688495846 TCL: Center of mass = 8.2632004407 -0.157602622589 -1.64212030096 TCL: atom 1: phi = -0.380681391491 TCL: Center of mass = 8.26631734882 -0.158089699108 -1.64242816973 TCL: atom 1: phi = -0.380419117163 TCL: Center of mass = 8.2694320188 -0.158569791481 -1.64272878858 TCL: atom 1: phi = -0.380358032787 TCL: Center of mass = 8.27254867797 -0.159054486928 -1.64304110631 TCL: atom 1: phi = -0.380008369556 TCL: Center of mass = 8.27566969191 -0.159545457842 -1.64334911363 TCL: atom 1: phi = -0.379830407635 TCL: Center of mass = 8.27877890692 -0.160032168451 -1.64364348721 TCL: atom 1: phi = -0.379361695377 TCL: Center of mass = 8.28190292207 -0.160516515476 -1.64393171594 TCL: atom 1: phi = -0.379061271314 TCL: Center of mass = 8.28502169627 -0.161006385752 -1.6442166281 TCL: atom 1: phi = -0.378427624455 TCL: Center of mass = 8.28814052546 -0.161489612104 -1.64448912309 TCL: atom 1: phi = -0.37801120233 TCL: Center of mass = 8.2912634237 -0.161978901318 -1.64474676474 TCL: atom 1: phi = -0.377296538491 TCL: Center of mass = 8.29438905421 -0.162465559815 -1.64500332604 TCL: atom 1: phi = -0.37683370824 TCL: Center of mass = 8.29752492927 -0.162943680706 -1.64525185059 TCL: atom 1: phi = -0.376081675006 TCL: Center of mass = 8.30064338762 -0.163436581213 -1.64551101605 TCL: atom 1: phi = -0.375642857392 TCL: Center of mass = 8.30376132127 -0.163920996876 -1.64577548992 TCL: atom 1: phi = -0.374955777542 TCL: Center of mass = 8.30687759998 -0.16440862208 -1.64603359456 TCL: atom 1: phi = -0.374702142946 TCL: Center of mass = 8.30998908157 -0.164888268744 -1.6462830318 TCL: atom 1: phi = -0.374294630165 TCL: Center of mass = 8.31309699156 -0.165367495119 -1.64652728174 TCL: atom 1: phi = -0.374284505611 TCL: Center of mass = 8.31619310114 -0.165849554545 -1.64676617406 TCL: atom 1: phi = -0.374055126335 TCL: Center of mass = 8.31929314942 -0.166319424238 -1.64699950085 TCL: atom 1: phi = -0.374229922077 TCL: Center of mass = 8.32238918178 -0.166777172992 -1.64724418176 TCL: atom 1: phi = -0.374089646111 TCL: Center of mass = 8.32548472344 -0.167230180053 -1.64749354857 TCL: atom 1: phi = -0.374239201445 TCL: Center of mass = 8.32857144663 -0.167683032067 -1.64774259763 TCL: atom 1: phi = -0.373934375903 TCL: Center of mass = 8.33165878072 -0.168135666257 -1.64799408162 TCL: atom 1: phi = -0.373867080459 TCL: Center of mass = 8.33474335807 -0.168584914405 -1.64823787859 TCL: atom 1: phi = -0.373394401562 TCL: Center of mass = 8.33783027175 -0.169040601842 -1.64847871865 TCL: atom 1: phi = -0.373172479063 TCL: Center of mass = 8.34092410008 -0.169493730675 -1.64872218275 TCL: atom 1: phi = -0.372561244358 TCL: Center of mass = 8.3440195109 -0.169952436661 -1.64896994875 TCL: atom 1: phi = -0.372179449684 TCL: Center of mass = 8.34710920917 -0.170416659933 -1.6492227244 TCL: atom 1: phi = -0.371365928501 TCL: Center of mass = 8.35019720489 -0.170885151392 -1.64947188489 TCL: atom 1: phi = -0.370811183555 TCL: Center of mass = 8.35328239388 -0.171369162742 -1.64972451702 TCL: atom 1: phi = -0.369847599784 TCL: Center of mass = 8.35636504912 -0.171864900102 -1.64996594088 TCL: atom 1: phi = -0.369093553884 TCL: Center of mass = 8.35944594573 -0.17237139633 -1.65020715114 TCL: atom 1: phi = -0.367857496712 TCL: Center of mass = 8.3625253233 -0.172884790604 -1.65045425391 TCL: atom 1: phi = -0.366952596091 TCL: Center of mass = 8.36560962313 -0.17340396329 -1.65069522944 TCL: atom 1: phi = -0.365705385617 TCL: Center of mass = 8.36869455409 -0.173930307284 -1.65093411625 TCL: atom 1: phi = -0.364905099689 TCL: Center of mass = 8.37177924299 -0.174460952373 -1.65117603712 TCL: atom 1: phi = -0.363868451531 TCL: Center of mass = 8.37485963715 -0.174990156588 -1.65141646809 TCL: atom 1: phi = -0.363383944953 TCL: Center of mass = 8.37793087925 -0.17551712063 -1.65166215872 TCL: atom 1: phi = -0.362775181812 TCL: Center of mass = 8.38100165269 -0.176034281056 -1.65189544012 TCL: atom 1: phi = -0.362755473095 TCL: Center of mass = 8.38405751392 -0.176547735665 -1.65214144651 TCL: atom 1: phi = -0.362507776804 TCL: Center of mass = 8.38712188573 -0.17706085684 -1.65238626574 TCL: atom 1: phi = -0.36274237202 TCL: Center of mass = 8.39020057785 -0.177580751645 -1.65262171889 TCL: atom 1: phi = -0.362709652205 TCL: Center of mass = 8.39327070339 -0.178103587394 -1.65286389608 TCL: atom 1: phi = -0.363151933982 TCL: Center of mass = 8.39633557151 -0.178621421872 -1.65310293382 TCL: atom 1: phi = -0.363315900495 TCL: Center of mass = 8.39940082641 -0.179140089017 -1.65332719484 TCL: atom 1: phi = -0.363831844871 TCL: Center of mass = 8.40246400836 -0.179666645284 -1.65355743057 TCL: atom 1: phi = -0.364094139099 TCL: Center of mass = 8.40553374885 -0.180197122513 -1.65378214982 TCL: atom 1: phi = -0.364710005101 TCL: Center of mass = 8.40860715397 -0.180733023059 -1.65401120569 TCL: atom 1: phi = -0.365078727773 TCL: Center of mass = 8.41167334891 -0.18125953622 -1.65424983299 TCL: atom 1: phi = -0.365794307297 TCL: Center of mass = 8.41474390437 -0.181792236945 -1.65448165231 TCL: atom 1: phi = -0.366233959488 TCL: Center of mass = 8.41780484439 -0.182335739536 -1.65470477543 TCL: atom 1: phi = -0.366826885875 TCL: Center of mass = 8.42085744876 -0.182876644694 -1.65493347116 TCL: atom 1: phi = -0.367105874836 TCL: Center of mass = 8.42391374577 -0.183419584915 -1.65517106099 TCL: atom 1: phi = -0.36757198329 TCL: Center of mass = 8.4269720149 -0.183956135071 -1.65539854902 TCL: atom 1: phi = -0.367773862761 TCL: Center of mass = 8.43001549575 -0.18449023963 -1.65561999291 TCL: atom 1: phi = -0.368187541341 TCL: Center of mass = 8.4330592039 -0.185024256499 -1.65584389409 TCL: atom 1: phi = -0.36839218647 TCL: Center of mass = 8.43612689066 -0.185554328555 -1.65606777301 TCL: atom 1: phi = -0.368905554099 TCL: Center of mass = 8.43918301611 -0.186093987014 -1.65629403854 TCL: atom 1: phi = -0.369206026443 TCL: Center of mass = 8.4422409618 -0.186630951214 -1.65650637998 TCL: atom 1: phi = -0.369729733384 TCL: Center of mass = 8.44529221085 -0.187164316054 -1.65672376903 TCL: atom 1: phi = -0.370049052975 TCL: Center of mass = 8.44834957466 -0.187699501353 -1.65694182046 TCL: atom 1: phi = -0.370537433017 TCL: Center of mass = 8.45140910861 -0.188244828699 -1.65716359042 TCL: atom 1: phi = -0.370627020504 TCL: Center of mass = 8.45445878011 -0.188772676071 -1.6574020714 TCL: atom 1: phi = -0.370747550176 TCL: Center of mass = 8.45752127537 -0.189296065752 -1.65764927294 TCL: atom 1: phi = -0.370417828301 TCL: Center of mass = 8.46058318709 -0.189828708669 -1.65788653496 TCL: atom 1: phi = -0.370126865081 TCL: Center of mass = 8.46363353233 -0.190363430098 -1.65813419523 TCL: atom 1: phi = -0.369484001893 TIMING: 3900 CPU: 661.143, 0.170134/step Wall: 809.084, 0.208321/step, 0.931659 hours remaining, 20355 kB of memory in use. ENERGY: 3900 393.1405 672.4864 416.8671 41.2346 -2753.1683 -226.7190 0.0000 0.0000 1169.9089 -286.2498 318.8329 -277.3666 -277.8110 314.3910 -73.1045 307.9999 64000.0000 115.6291 117.9447 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900 WRITING COORDINATES TO DCD FILE AT STEP 3900 WRITING COORDINATES TO RESTART FILE AT STEP 3900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.46667701135 -0.190891826079 -1.65838867932 TCL: atom 1: phi = -0.36897442471 TCL: Center of mass = 8.46970841462 -0.191424161484 -1.65864846295 TCL: atom 1: phi = -0.368217742061 TCL: Center of mass = 8.47274026521 -0.191952836155 -1.65890727576 TCL: atom 1: phi = -0.367594807883 TCL: Center of mass = 8.4757725447 -0.192481528739 -1.65917124416 TCL: atom 1: phi = -0.366718317152 TCL: Center of mass = 8.47879039585 -0.193009354104 -1.65943526554 TCL: atom 1: phi = -0.365943151156 TCL: Center of mass = 8.48180139492 -0.193531245799 -1.65969775271 TCL: atom 1: phi = -0.364857446115 TCL: Center of mass = 8.48481618359 -0.194047504046 -1.6599569882 TCL: atom 1: phi = -0.363880955572 TCL: Center of mass = 8.48783834239 -0.194568757124 -1.66021079126 TCL: atom 1: phi = -0.362639565773 TCL: Center of mass = 8.49085900349 -0.195082688332 -1.66046872107 TCL: atom 1: phi = -0.361604769748 TCL: Center of mass = 8.49387195658 -0.195599531819 -1.66072829635 TCL: atom 1: phi = -0.36039909992 TCL: Center of mass = 8.49688578397 -0.196112013709 -1.66098576119 TCL: atom 1: phi = -0.359512638377 TCL: Center of mass = 8.4998923087 -0.196631285542 -1.66125336695 TCL: atom 1: phi = -0.358576144067 TCL: Center of mass = 8.50289275812 -0.19716077156 -1.66152265168 TCL: atom 1: phi = -0.358064573555 TCL: Center of mass = 8.50589351486 -0.197680550317 -1.66179075359 TCL: atom 1: phi = -0.357519333494 TCL: Center of mass = 8.50890497074 -0.198203647851 -1.6620545079 TCL: atom 1: phi = -0.357276687753 TCL: Center of mass = 8.51192709613 -0.198738021157 -1.66231792091 TCL: atom 1: phi = -0.35689445132 TCL: Center of mass = 8.51496422683 -0.199272167977 -1.66256553282 TCL: atom 1: phi = -0.356690864666 TCL: Center of mass = 8.51800877138 -0.199821985531 -1.66280584043 TCL: atom 1: phi = -0.356223531181 TCL: Center of mass = 8.52104398974 -0.200377064419 -1.66304476873 TCL: atom 1: phi = -0.355923820337 TCL: Center of mass = 8.52407639994 -0.200946984885 -1.66328655546 TCL: atom 1: phi = -0.355449182492 TCL: Center of mass = 8.52710652143 -0.201504092566 -1.66352897087 TCL: atom 1: phi = -0.355280313316 TCL: Center of mass = 8.53013227571 -0.202061031286 -1.6637810706 TCL: atom 1: phi = -0.354959124182 TCL: Center of mass = 8.53316312494 -0.202616696946 -1.66403586327 TCL: atom 1: phi = -0.354990874387 TCL: Center of mass = 8.53619696323 -0.203169043241 -1.66429477417 TCL: atom 1: phi = -0.354894276751 TCL: Center of mass = 8.53923232142 -0.203710563747 -1.66455819166 TCL: atom 1: phi = -0.355103707823 TCL: Center of mass = 8.54226854405 -0.204265760738 -1.6648161756 TCL: atom 1: phi = -0.355110225064 TCL: Center of mass = 8.5453056785 -0.204818723265 -1.66505900307 TCL: atom 1: phi = -0.355267245221 TCL: Center of mass = 8.54834807121 -0.205373053212 -1.66530322309 TCL: atom 1: phi = -0.355116943133 TCL: Center of mass = 8.55138343145 -0.205928596964 -1.66554625548 TCL: atom 1: phi = -0.355103768818 TCL: Center of mass = 8.55442040831 -0.206486454283 -1.66578202844 TCL: atom 1: phi = -0.354791371747 TCL: Center of mass = 8.5574515359 -0.207026447244 -1.66602208216 TCL: atom 1: phi = -0.354679717167 TCL: Center of mass = 8.56046875279 -0.207571901879 -1.66625904714 TCL: atom 1: phi = -0.354428857878 TCL: Center of mass = 8.56347815762 -0.208129054322 -1.66649158123 TCL: atom 1: phi = -0.354449768866 TCL: Center of mass = 8.56648825596 -0.208676860905 -1.666714858 TCL: atom 1: phi = -0.354261937714 TCL: Center of mass = 8.56950791441 -0.20922331636 -1.66693265936 TCL: atom 1: phi = -0.354252532614 TCL: Center of mass = 8.57252824939 -0.209769018865 -1.66715702633 TCL: atom 1: phi = -0.353891992161 TCL: Center of mass = 8.57554645717 -0.210318703017 -1.66736337276 TCL: atom 1: phi = -0.353568271497 TCL: Center of mass = 8.57855083949 -0.21085777405 -1.66755973152 TCL: atom 1: phi = -0.352774809077 TCL: Center of mass = 8.58154532326 -0.211400874953 -1.6677422311 TCL: atom 1: phi = -0.351980141948 TCL: Center of mass = 8.58453123302 -0.211941865412 -1.66793168678 TCL: atom 1: phi = -0.350778763317 TCL: Center of mass = 8.58751745702 -0.212483715753 -1.66813657548 TCL: atom 1: phi = -0.3497246919 TCL: Center of mass = 8.5904960078 -0.213021346671 -1.66834087456 TCL: atom 1: phi = -0.348450603749 TCL: Center of mass = 8.59347707228 -0.213550993598 -1.66853948458 TCL: atom 1: phi = -0.347519300151 TCL: Center of mass = 8.59647414339 -0.21408157545 -1.668747001 TCL: atom 1: phi = -0.346414128403 TCL: Center of mass = 8.59946688328 -0.214614719422 -1.66895432438 TCL: atom 1: phi = -0.345650588811 TCL: Center of mass = 8.60246353124 -0.215146353551 -1.66917544722 TCL: atom 1: phi = -0.344675329127 TCL: Center of mass = 8.60545609951 -0.215671924861 -1.66939779348 TCL: atom 1: phi = -0.343976495412 TCL: Center of mass = 8.60843938248 -0.216186764088 -1.66962941012 TCL: atom 1: phi = -0.342950046802 TCL: Center of mass = 8.61141960244 -0.216699195878 -1.66984258842 TCL: atom 1: phi = -0.342174645449 TCL: Center of mass = 8.61439984556 -0.217214403432 -1.67006296948 TCL: atom 1: phi = -0.341178239566 TCL: Center of mass = 8.61737103852 -0.217732048853 -1.67028675905 TCL: atom 1: phi = -0.340632549993 TCL: Center of mass = 8.62034276865 -0.218246950174 -1.67051202799 TCL: atom 1: phi = -0.339939677282 TCL: Center of mass = 8.62329662967 -0.218766745712 -1.67073103749 TCL: atom 1: phi = -0.339771722882 TCL: Center of mass = 8.62624282258 -0.219298375502 -1.67095051816 TCL: atom 1: phi = -0.339437093303 TCL: Center of mass = 8.62918888971 -0.219829836052 -1.67115681464 TCL: atom 1: phi = -0.339556718119 TCL: Center of mass = 8.63213943233 -0.220352618794 -1.67135239481 TCL: atom 1: phi = -0.33948597942 TCL: Center of mass = 8.6350926338 -0.220875778188 -1.67154112662 TCL: atom 1: phi = -0.339653080774 TCL: Center of mass = 8.63804090797 -0.221384962727 -1.67173163878 TCL: atom 1: phi = -0.339411670958 TCL: Center of mass = 8.64099372219 -0.221895114501 -1.67191801682 TCL: atom 1: phi = -0.339274155739 TCL: Center of mass = 8.64393161089 -0.222407583974 -1.67210651364 TCL: atom 1: phi = -0.338716473718 TCL: Center of mass = 8.64687769382 -0.222928586218 -1.67229464306 TCL: atom 1: phi = -0.338450177071 TCL: Center of mass = 8.6498260145 -0.223448676036 -1.67248378191 TCL: atom 1: phi = -0.337929004573 TCL: Center of mass = 8.65277914368 -0.22397156829 -1.67266875282 TCL: atom 1: phi = -0.337946744335 TCL: Center of mass = 8.65572398543 -0.224490992049 -1.67284075782 TCL: atom 1: phi = -0.337872174811 TCL: Center of mass = 8.65866614493 -0.225003163902 -1.6730010976 TCL: atom 1: phi = -0.338374150127 TCL: Center of mass = 8.66160596865 -0.225512792583 -1.67316463894 TCL: atom 1: phi = -0.338776882659 TCL: Center of mass = 8.66454789629 -0.226025366596 -1.6733267587 TCL: atom 1: phi = -0.339664699792 TCL: Center of mass = 8.66748626251 -0.22654052484 -1.67348591482 TCL: atom 1: phi = -0.340344605026 TCL: Center of mass = 8.67040789615 -0.227037244279 -1.67364165489 TCL: atom 1: phi = -0.341243940153 TCL: Center of mass = 8.67333280791 -0.227537397576 -1.67378646695 TCL: atom 1: phi = -0.341869684276 TCL: Center of mass = 8.67625837943 -0.228027047022 -1.67392018637 TCL: atom 1: phi = -0.342761434835 TCL: Center of mass = 8.6791790695 -0.228507887105 -1.67404958328 TCL: atom 1: phi = -0.343405824694 TCL: Center of mass = 8.68210264467 -0.228973975996 -1.67418621177 TCL: atom 1: phi = -0.344384884504 TCL: Center of mass = 8.68503416977 -0.2294407202 -1.67431568362 TCL: atom 1: phi = -0.345214683453 TCL: Center of mass = 8.6879624863 -0.229904186493 -1.67443449024 TCL: atom 1: phi = -0.346377787823 TCL: Center of mass = 8.69089822398 -0.230352549767 -1.67455991044 TCL: atom 1: phi = -0.347214411667 TCL: Center of mass = 8.69381801824 -0.230795306837 -1.67469348347 TCL: atom 1: phi = -0.348183651456 TCL: Center of mass = 8.69673209281 -0.231236457009 -1.67482295898 TCL: atom 1: phi = -0.348666705509 TCL: Center of mass = 8.69964625858 -0.231677305617 -1.67494688467 TCL: atom 1: phi = -0.349133407412 TCL: Center of mass = 8.70257009845 -0.232124470831 -1.67508611442 TCL: atom 1: phi = -0.349088129823 TCL: Center of mass = 8.70550517648 -0.232567223614 -1.67522580459 TCL: atom 1: phi = -0.349086121769 TCL: Center of mass = 8.70843144636 -0.23300049779 -1.67536575166 TCL: atom 1: phi = -0.348758796994 TCL: Center of mass = 8.71135989536 -0.233428531639 -1.67551305678 TCL: atom 1: phi = -0.348709633372 TCL: Center of mass = 8.71429596642 -0.233861524252 -1.67565306848 TCL: atom 1: phi = -0.34849512412 TCL: Center of mass = 8.71724322007 -0.234301359689 -1.67578792628 TCL: atom 1: phi = -0.348692792096 TCL: Center of mass = 8.72019136456 -0.234738593359 -1.6759254416 TCL: atom 1: phi = -0.348692288146 TCL: Center of mass = 8.72313475886 -0.23516507265 -1.67606516442 TCL: atom 1: phi = -0.349043681652 TCL: Center of mass = 8.72606024495 -0.235588900469 -1.67620907627 TCL: atom 1: phi = -0.349097352951 TCL: Center of mass = 8.72898249166 -0.236018062683 -1.6763513835 TCL: atom 1: phi = -0.349315414777 TCL: Center of mass = 8.73191430762 -0.236441135514 -1.67649140186 TCL: atom 1: phi = -0.349222570197 TCL: Center of mass = 8.73485001349 -0.23685973383 -1.67662920978 TCL: atom 1: phi = -0.349267967981 TCL: Center of mass = 8.73779017151 -0.237271437851 -1.67676911797 TCL: atom 1: phi = -0.349004288512 TCL: Center of mass = 8.74073460267 -0.23768789372 -1.67690602386 TCL: atom 1: phi = -0.348965787181 TCL: Center of mass = 8.7436860846 -0.238114455592 -1.67704048053 TCL: atom 1: phi = -0.348702654418 TCL: Center of mass = 8.74663406423 -0.238542278557 -1.67716935945 TCL: atom 1: phi = -0.348754042943 TCL: Center of mass = 8.749582806 -0.238964108881 -1.67729201698 TCL: atom 1: phi = -0.348586392659 TCL: Center of mass = 8.75252940688 -0.239376219468 -1.67741602922 TCL: atom 1: phi = -0.348595379866 TCL: Center of mass = 8.75547492491 -0.239776311155 -1.67754106718 TCL: atom 1: phi = -0.3482383494 TCL: Center of mass = 8.758435358 -0.240159638554 -1.67766680416 TCL: atom 1: phi = -0.347930651067 TCL: Center of mass = 8.76139369565 -0.240541684517 -1.67779920231 TCL: atom 1: phi = -0.34721325107 TIMING: 4000 CPU: 678.138, 0.169944/step Wall: 829.894, 0.208103/step, 0.924901 hours remaining, 20357 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 401.7610 716.3557 423.6504 44.8611 -2778.4097 -221.9372 0.0000 0.0000 1125.6392 -288.0795 306.7682 -279.4126 -279.0737 311.7431 341.7084 581.3355 64000.0000 198.6107 193.0678 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000 WRITING COORDINATES TO DCD FILE AT STEP 4000 WRITING COORDINATES TO RESTART FILE AT STEP 4000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 8.7643370976 -0.240914915085 -1.67792424708 TCL: atom 1: phi = -0.346618181461 TCL: Center of mass = 8.7672901927 -0.24128814954 -1.6780450605 TCL: atom 1: phi = -0.345704747427 TCL: Center of mass = 8.77022889918 -0.241665750722 -1.67816330551 TCL: atom 1: phi = -0.345040118582 TCL: Center of mass = 8.77316455148 -0.242041944734 -1.67828470235 TCL: atom 1: phi = -0.344212639796 TCL: Center of mass = 8.77609264882 -0.24241963678 -1.67840991654 TCL: atom 1: phi = -0.343884240332 TCL: Center of mass = 8.77902107243 -0.242794876747 -1.67853433131 TCL: atom 1: phi = -0.343396109867 TCL: Center of mass = 8.7819441726 -0.243162170937 -1.67864627391 TCL: atom 1: phi = -0.343433285597 TCL: Center of mass = 8.78485741831 -0.243526221623 -1.67875826332 TCL: atom 1: phi = -0.343286186266 TCL: Center of mass = 8.78777452094 -0.243901087996 -1.67888544234 TCL: atom 1: phi = -0.343522453955 TCL: Center of mass = 8.79069238013 -0.244271071201 -1.67902116337 TCL: atom 1: phi = -0.343471004639 TCL: Center of mass = 8.79361440531 -0.244651478038 -1.67914228849 TCL: atom 1: phi = -0.343684927505 TCL: Center of mass = 8.79652993591 -0.245033723815 -1.6792643091 TCL: atom 1: phi = -0.343605509664 TCL: Center of mass = 8.79944247923 -0.245415920786 -1.6793790372 TCL: atom 1: phi = -0.34382088 TCL: Center of mass = 8.80237650407 -0.24580226093 -1.6794904878 TCL: atom 1: phi = -0.343767151579 TCL: Center of mass = 8.80529656422 -0.246188167018 -1.67959567352 TCL: atom 1: phi = -0.344061943446 TCL: Center of mass = 8.80821769934 -0.246572071769 -1.67968416127 TCL: atom 1: phi = -0.344159433157 TCL: Center of mass = 8.81114327854 -0.246962237783 -1.67977653215 TCL: atom 1: phi = -0.344586857536 TCL: Center of mass = 8.81407267422 -0.247343039835 -1.67987369443 TCL: atom 1: phi = -0.34464916429 TCL: Center of mass = 8.81701213796 -0.247725073622 -1.67997672567 TCL: atom 1: phi = -0.344863966822 TCL: Center of mass = 8.8199630132 -0.248105564087 -1.68007644333 TCL: atom 1: phi = -0.344621825613 TCL: Center of mass = 8.82290773147 -0.248494229478 -1.68017183246 TCL: atom 1: phi = -0.344458208771 TCL: Center of mass = 8.82585392323 -0.248892647626 -1.68027625346 TCL: atom 1: phi = -0.343895224761 TCL: Center of mass = 8.82880436578 -0.249303474618 -1.68038562349 TCL: atom 1: phi = -0.343589683335 TCL: Center of mass = 8.83175674987 -0.249721633223 -1.68049566569 TCL: atom 1: phi = -0.343010008701 TCL: Center of mass = 8.83470671235 -0.250144654262 -1.68060813499 TCL: atom 1: phi = -0.342832056325 TCL: Center of mass = 8.83766295704 -0.250567356795 -1.68070715309 TCL: atom 1: phi = -0.342460129603 TCL: Center of mass = 8.84061069481 -0.25099020474 -1.6808107735 TCL: atom 1: phi = -0.342555562383 TCL: Center of mass = 8.84355982166 -0.251411185667 -1.68091051446 TCL: atom 1: phi = -0.342439546248 TCL: Center of mass = 8.84650937058 -0.25183177225 -1.68100345856 TCL: atom 1: phi = -0.342680336769 TCL: Center of mass = 8.84946230558 -0.252260566952 -1.68110060488 TCL: atom 1: phi = -0.342526419786 TCL: Center of mass = 8.85240654409 -0.252676244246 -1.68118950551 TCL: atom 1: phi = -0.34265687587 TCL: Center of mass = 8.85535804478 -0.253087150535 -1.68127186587 TCL: atom 1: phi = -0.342398344526 TCL: Center of mass = 8.85831723965 -0.253496114308 -1.68135232031 TCL: atom 1: phi = -0.342344750915 TCL: Center of mass = 8.86127230297 -0.253903208741 -1.68142716796 TCL: atom 1: phi = -0.341977639434 TCL: Center of mass = 8.86421865135 -0.254301470295 -1.68149244087 TCL: atom 1: phi = -0.341940291057 TCL: Center of mass = 8.86716494033 -0.254696971253 -1.68155569492 TCL: atom 1: phi = -0.34164581128 TCL: Center of mass = 8.87011016141 -0.255067009463 -1.68162114169 TCL: atom 1: phi = -0.341728525859 TCL: Center of mass = 8.87305535832 -0.255436509334 -1.68169193621 TCL: atom 1: phi = -0.341521933412 TCL: Center of mass = 8.87600261289 -0.255790719878 -1.68176162053 TCL: atom 1: phi = -0.341622141942 TCL: Center of mass = 8.87895222384 -0.256135396077 -1.68182132198 TCL: atom 1: phi = -0.341356691133 TCL: Center of mass = 8.88189482171 -0.256477963717 -1.68188448377 TCL: atom 1: phi = -0.34133674423 TCL: Center of mass = 8.88483440972 -0.256810747022 -1.68195480411 TCL: atom 1: phi = -0.340993625618 TCL: Center of mass = 8.88778681631 -0.257142146689 -1.68203444981 TCL: atom 1: phi = -0.341003434431 TCL: Center of mass = 8.89073781341 -0.257469276198 -1.68211812827 TCL: atom 1: phi = -0.340829692595 TCL: Center of mass = 8.89370323916 -0.257796939339 -1.68221407863 TCL: atom 1: phi = -0.341218119437 TCL: Center of mass = 8.89665828935 -0.258113529405 -1.68231415635 TCL: atom 1: phi = -0.341589198059 TCL: Center of mass = 8.89961295595 -0.258434482203 -1.68240117747 TCL: atom 1: phi = -0.342510380843 TCL: Center of mass = 8.90255664029 -0.258747836812 -1.68246798378 TCL: atom 1: phi = -0.343341753482 TCL: Center of mass = 8.90550233263 -0.259064356652 -1.68253159978 TCL: atom 1: phi = -0.344634576261 TCL: Center of mass = 8.90845443818 -0.259379789047 -1.68259759666 TCL: atom 1: phi = -0.345696359406 TCL: Center of mass = 8.91141822989 -0.259699513504 -1.68265561774 TCL: atom 1: phi = -0.347093693398 TCL: Center of mass = 8.91438485569 -0.260024391124 -1.68270627957 TCL: atom 1: phi = -0.348113224573 TCL: Center of mass = 8.91734548096 -0.260336081485 -1.68275826733 TCL: atom 1: phi = -0.349365286687 TCL: Center of mass = 8.92030607075 -0.260653830192 -1.68281091504 TCL: atom 1: phi = -0.350192676533 TCL: Center of mass = 8.92326482211 -0.260962361997 -1.6828709929 TCL: atom 1: phi = -0.351271646419 TCL: Center of mass = 8.92621796393 -0.261273602697 -1.68293449916 TCL: atom 1: phi = -0.351958602777 TCL: Center of mass = 8.92917067299 -0.26158104977 -1.682991614 TCL: atom 1: phi = -0.352838375298 TCL: Center of mass = 8.93213288266 -0.261885797877 -1.68306070698 TCL: atom 1: phi = -0.353332097696 TCL: Center of mass = 8.93508906171 -0.262199675438 -1.68312269007 TCL: atom 1: phi = -0.353939135038 TCL: Center of mass = 8.93804839894 -0.262516888744 -1.68318444918 TCL: atom 1: phi = -0.354078982428 TCL: Center of mass = 8.94100991939 -0.26283354067 -1.68325654839 TCL: atom 1: phi = -0.354198761063 TCL: Center of mass = 8.94396936749 -0.263153969032 -1.68333047666 TCL: atom 1: phi = -0.353759940617 TCL: Center of mass = 8.94691741215 -0.263470494174 -1.68339714223 TCL: atom 1: phi = -0.353400759672 TCL: Center of mass = 8.94986180994 -0.263774091254 -1.68345715102 TCL: atom 1: phi = -0.352573975863 TCL: Center of mass = 8.95279913147 -0.264077659767 -1.68351205292 TCL: atom 1: phi = -0.35193683832 TCL: Center of mass = 8.95572991794 -0.264379311783 -1.68356092842 TCL: atom 1: phi = -0.351074913958 TCL: Center of mass = 8.9586672038 -0.264683407327 -1.68362254702 TCL: atom 1: phi = -0.350657498994 TCL: Center of mass = 8.9615977678 -0.264979185655 -1.68368773697 TCL: atom 1: phi = -0.350050314385 TCL: Center of mass = 8.96453205039 -0.26527643329 -1.68374214641 TCL: atom 1: phi = -0.349831495234 TCL: Center of mass = 8.96746398814 -0.265576322854 -1.68379839238 TCL: atom 1: phi = -0.349354082452 TCL: Center of mass = 8.97039728194 -0.26587664737 -1.68385889047 TCL: atom 1: phi = -0.3491907557 TCL: Center of mass = 8.97334206526 -0.26619221356 -1.68391342306 TCL: atom 1: phi = -0.348612214195 TCL: Center of mass = 8.97628957955 -0.266510044583 -1.68397846719 TCL: atom 1: phi = -0.348313943671 TCL: Center of mass = 8.97924460832 -0.266832362878 -1.68404439535 TCL: atom 1: phi = -0.347566233509 TCL: Center of mass = 8.98219223037 -0.267163906077 -1.68411936873 TCL: atom 1: phi = -0.34709584776 TCL: Center of mass = 8.98513342407 -0.267498716572 -1.68418373395 TCL: atom 1: phi = -0.346339193926 TCL: Center of mass = 8.9880725467 -0.267839164267 -1.68423199877 TCL: atom 1: phi = -0.345951220506 TCL: Center of mass = 8.99101495546 -0.268178282197 -1.68428525822 TCL: atom 1: phi = -0.345263511798 TCL: Center of mass = 8.99396048696 -0.268512993371 -1.68435340291 TCL: atom 1: phi = -0.344979336611 TCL: Center of mass = 8.99690724338 -0.268860040014 -1.6844208149 TCL: atom 1: phi = -0.344379248671 TCL: Center of mass = 8.99987422391 -0.269206774026 -1.68448827527 TCL: atom 1: phi = -0.344091084539 TCL: Center of mass = 9.00283970272 -0.269552831281 -1.6845547351 TCL: atom 1: phi = -0.343478675924 TCL: Center of mass = 9.00582107242 -0.269898249732 -1.68463066946 TCL: atom 1: phi = -0.343201422269 TCL: Center of mass = 9.00879817142 -0.270251281339 -1.68470503822 TCL: atom 1: phi = -0.342679544069 TCL: Center of mass = 9.01177569076 -0.27060739704 -1.68478498939 TCL: atom 1: phi = -0.34262650265 TCL: Center of mass = 9.01474393768 -0.27095812989 -1.68486684108 TCL: atom 1: phi = -0.342385755623 TCL: Center of mass = 9.01771726967 -0.271308199702 -1.68494606637 TCL: atom 1: phi = -0.342702307404 TCL: Center of mass = 9.02068693505 -0.271644354365 -1.6850266675 TCL: atom 1: phi = -0.342906373379 TCL: Center of mass = 9.02365374273 -0.27198440207 -1.68510565713 TCL: atom 1: phi = -0.343591153445 TCL: Center of mass = 9.02662151399 -0.272328082409 -1.68519096003 TCL: atom 1: phi = -0.344108524061 TCL: Center of mass = 9.02959245907 -0.272670413711 -1.68526538657 TCL: atom 1: phi = -0.344873900585 TCL: Center of mass = 9.0325760819 -0.273021406399 -1.68534017287 TCL: atom 1: phi = -0.345318766635 TCL: Center of mass = 9.03555904892 -0.27338151372 -1.68540469482 TCL: atom 1: phi = -0.345912822932 TCL: Center of mass = 9.03855394049 -0.273748813221 -1.68548440273 TCL: atom 1: phi = -0.346083725252 TCL: Center of mass = 9.04153607648 -0.274113205551 -1.68557002857 TCL: atom 1: phi = -0.346384980635 TCL: Center of mass = 9.04450896061 -0.274478658964 -1.68565750895 TCL: atom 1: phi = -0.346249045753 TCL: Center of mass = 9.0474826305 -0.274842103218 -1.68575537019 TCL: atom 1: phi = -0.346215433223 TCL: Center of mass = 9.05045043283 -0.275200437876 -1.68585301852 TCL: atom 1: phi = -0.345790971507 TCL: Center of mass = 9.05341745061 -0.275552154927 -1.68595551412 TCL: atom 1: phi = -0.345418428605 TCL: Center of mass = 9.05638801612 -0.27590233484 -1.68605975927 TCL: atom 1: phi = -0.344666940919 TIMING: 4100 CPU: 695.155, 0.170174/step Wall: 850.74, 0.208462/step, 0.920706 hours remaining, 20366 kB of memory in use. ENERGY: 4100 407.6792 685.0734 421.7762 39.2637 -2782.7467 -207.7463 0.0000 0.0000 1152.1005 -284.6001 313.9796 -275.7671 -276.1129 311.7199 413.2239 346.7132 64000.0000 424.7034 420.3159 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 = 9.05935576213 -0.2762595985 -1.6861579432 TCL: atom 1: phi = -0.344015062348 TCL: Center of mass = 9.06232582901 -0.276615557482 -1.68626282146 TCL: atom 1: phi = -0.342968341233 TCL: Center of mass = 9.0652914466 -0.276964268195 -1.68635522369 TCL: atom 1: phi = -0.341989670371 TCL: Center of mass = 9.06826582799 -0.277320730502 -1.68644955588 TCL: atom 1: phi = -0.340639421 TCL: Center of mass = 9.07124733966 -0.27768133945 -1.68653858912 TCL: atom 1: phi = -0.339474892479 TCL: Center of mass = 9.07423143631 -0.278036805663 -1.68662572175 TCL: atom 1: phi = -0.338054382243 TCL: Center of mass = 9.07721741992 -0.278391759114 -1.68672858461 TCL: atom 1: phi = -0.336998520878 TCL: Center of mass = 9.0802111056 -0.278750452104 -1.68683485155 TCL: atom 1: phi = -0.335827982726 TCL: Center of mass = 9.08319424446 -0.27909734602 -1.68695127426 TCL: atom 1: phi = -0.335090560585 TCL: Center of mass = 9.08617213185 -0.279441195903 -1.68706691106 TCL: atom 1: phi = -0.334256645653 TCL: Center of mass = 9.08915531339 -0.279787982705 -1.68718718349 TCL: atom 1: phi = -0.333739623351 TCL: Center of mass = 9.09214072658 -0.280126850848 -1.68732151017 TCL: atom 1: phi = -0.333098633628 TCL: Center of mass = 9.09512838631 -0.280461360035 -1.68745349775 TCL: atom 1: phi = -0.332779473993 TCL: Center of mass = 9.09811806563 -0.280793121615 -1.68759345133 TCL: atom 1: phi = -0.332254388631 TCL: Center of mass = 9.10111730793 -0.28113203186 -1.68772382369 TCL: atom 1: phi = -0.332065166931 TCL: Center of mass = 9.10411071723 -0.281463204746 -1.68783669502 TCL: atom 1: phi = -0.331716154727 TCL: Center of mass = 9.10709699551 -0.281800832958 -1.68794688584 TCL: atom 1: phi = -0.331755938316 TCL: Center of mass = 9.11007702771 -0.282146400232 -1.68806351689 TCL: atom 1: phi = -0.331655040576 TCL: Center of mass = 9.11306275735 -0.282492551701 -1.68819351928 TCL: atom 1: phi = -0.331952368709 TCL: Center of mass = 9.11605196763 -0.282837082974 -1.68831582227 TCL: atom 1: phi = -0.332059310227 TCL: Center of mass = 9.11903433865 -0.28318220908 -1.68843094485 TCL: atom 1: phi = -0.332540192034 TCL: Center of mass = 9.12202677733 -0.283522338299 -1.68854357398 TCL: atom 1: phi = -0.33278674929 TCL: Center of mass = 9.12502094949 -0.283860714309 -1.68865430002 TCL: atom 1: phi = -0.333325556895 TCL: Center of mass = 9.12801206917 -0.284202545897 -1.68876232835 TCL: atom 1: phi = -0.333667178132 TCL: Center of mass = 9.13102139028 -0.284541226881 -1.6888738471 TCL: atom 1: phi = -0.334278449473 TCL: Center of mass = 9.1340213924 -0.284888521687 -1.68898526315 TCL: atom 1: phi = -0.334682559275 TCL: Center of mass = 9.13703297155 -0.285244184942 -1.68909600727 TCL: atom 1: phi = -0.33540788702 TCL: Center of mass = 9.14004856893 -0.28559495283 -1.68920594606 TCL: atom 1: phi = -0.335967844375 TCL: Center of mass = 9.14305167946 -0.285956492509 -1.68931730523 TCL: atom 1: phi = -0.336812049565 TCL: Center of mass = 9.14605065105 -0.286329280171 -1.68943776721 TCL: atom 1: phi = -0.33747437954 TCL: Center of mass = 9.14904892855 -0.286707799025 -1.68955552432 TCL: atom 1: phi = -0.338376933485 TCL: Center of mass = 9.15203436187 -0.287094083431 -1.68967077434 TCL: atom 1: phi = -0.339016284873 TCL: Center of mass = 9.1550130372 -0.287487731199 -1.68978622755 TCL: atom 1: phi = -0.339854763202 TCL: Center of mass = 9.15799077446 -0.287891524917 -1.68991313836 TCL: atom 1: phi = -0.340410262945 TCL: Center of mass = 9.16096263208 -0.288276448223 -1.69005725043 TCL: atom 1: phi = -0.341044023693 TCL: Center of mass = 9.16393108576 -0.288672447942 -1.69019170888 TCL: atom 1: phi = -0.341231289986 TCL: Center of mass = 9.16690504519 -0.289056784748 -1.69033185207 TCL: atom 1: phi = -0.341468884125 TCL: Center of mass = 9.16988291492 -0.289436370017 -1.69046456446 TCL: atom 1: phi = -0.341344255248 TCL: Center of mass = 9.17285878807 -0.289802000622 -1.69059291339 TCL: atom 1: phi = -0.341409353378 TCL: Center of mass = 9.17583532115 -0.290162593801 -1.69072765651 TCL: atom 1: phi = -0.341190454735 TCL: Center of mass = 9.17881742117 -0.290520100873 -1.690868837 TCL: atom 1: phi = -0.341139966824 TCL: Center of mass = 9.18178969135 -0.290880348664 -1.69102477701 TCL: atom 1: phi = -0.340767767084 TCL: Center of mass = 9.18477352263 -0.291237584034 -1.69118026204 TCL: atom 1: phi = -0.340454190177 TCL: Center of mass = 9.18775665163 -0.291600685232 -1.69133999425 TCL: atom 1: phi = -0.339833866908 TCL: Center of mass = 9.19073334534 -0.291964773329 -1.6915005429 TCL: atom 1: phi = -0.339343458625 TCL: Center of mass = 9.19370826721 -0.29233049655 -1.69166272858 TCL: atom 1: phi = -0.338561714458 TCL: Center of mass = 9.19668716546 -0.292692996129 -1.69181780196 TCL: atom 1: phi = -0.338003279026 TCL: Center of mass = 9.19967127013 -0.293054238016 -1.69197210969 TCL: atom 1: phi = -0.337261877282 TCL: Center of mass = 9.20265566563 -0.293410736888 -1.69213531363 TCL: atom 1: phi = -0.336924730184 TCL: Center of mass = 9.2056484097 -0.293761361062 -1.69229635253 TCL: atom 1: phi = -0.33649776437 TCL: Center of mass = 9.20864766456 -0.294116529574 -1.69245266976 TCL: atom 1: phi = -0.336405578722 TCL: Center of mass = 9.21164975032 -0.294472112142 -1.69261712358 TCL: atom 1: phi = -0.336164563793 TCL: Center of mass = 9.21465178773 -0.294825211267 -1.69277540308 TCL: atom 1: phi = -0.336172516597 TCL: Center of mass = 9.21764831796 -0.29518175715 -1.69294228396 TCL: atom 1: phi = -0.335957259036 TCL: Center of mass = 9.22063984083 -0.295535879327 -1.69310909806 TCL: atom 1: phi = -0.335951840243 TCL: Center of mass = 9.22363869451 -0.29587833134 -1.69327417083 TCL: atom 1: phi = -0.335717736064 TCL: Center of mass = 9.22664155339 -0.296229087609 -1.69344382143 TCL: atom 1: phi = -0.335735408909 TCL: Center of mass = 9.22964732191 -0.296570914365 -1.6936193332 TCL: atom 1: phi = -0.335616691389 TCL: Center of mass = 9.23266212591 -0.296902253146 -1.69378571508 TCL: atom 1: phi = -0.33574631665 TCL: Center of mass = 9.23567293344 -0.297233501604 -1.69394820796 TCL: atom 1: phi = -0.335746963124 TCL: Center of mass = 9.23869654255 -0.297565166639 -1.69409702895 TCL: atom 1: phi = -0.335981511009 TCL: Center of mass = 9.24171548635 -0.297902426544 -1.69425688507 TCL: atom 1: phi = -0.336066095809 TCL: Center of mass = 9.24473491356 -0.298235222556 -1.69441162026 TCL: atom 1: phi = -0.336297084483 TCL: Center of mass = 9.24775669544 -0.298566472849 -1.69456216951 TCL: atom 1: phi = -0.336215173635 TCL: Center of mass = 9.25078555979 -0.298909515525 -1.6946999347 TCL: atom 1: phi = -0.336212962346 TCL: Center of mass = 9.25380941386 -0.299249300476 -1.69485414097 TCL: atom 1: phi = -0.335979778511 TCL: Center of mass = 9.25683513874 -0.299587070302 -1.69501040022 TCL: atom 1: phi = -0.335908887572 TCL: Center of mass = 9.2598639885 -0.299927865875 -1.69516675575 TCL: atom 1: phi = -0.335630041481 TCL: Center of mass = 9.2628908982 -0.300258891892 -1.69531974522 TCL: atom 1: phi = -0.335525858605 TCL: Center of mass = 9.26591058199 -0.300594196844 -1.69547678401 TCL: atom 1: phi = -0.335152435798 TCL: Center of mass = 9.26892414117 -0.300943122203 -1.69564146964 TCL: atom 1: phi = -0.33487896952 TCL: Center of mass = 9.27194347268 -0.301304499902 -1.69581726556 TCL: atom 1: phi = -0.334309120883 TCL: Center of mass = 9.27495471661 -0.301666411916 -1.69598154982 TCL: atom 1: phi = -0.333817519009 TCL: Center of mass = 9.27796117448 -0.302024759931 -1.69615150077 TCL: atom 1: phi = -0.332915790301 TCL: Center of mass = 9.28097235111 -0.30236537072 -1.69632388495 TCL: atom 1: phi = -0.332058673391 TCL: Center of mass = 9.28398585182 -0.302709374585 -1.69649200632 TCL: atom 1: phi = -0.330839473163 TCL: Center of mass = 9.28699179688 -0.303038984109 -1.69666201074 TCL: atom 1: phi = -0.329762962003 TCL: Center of mass = 9.28999583189 -0.303353173804 -1.69683439697 TCL: atom 1: phi = -0.328376336012 TCL: Center of mass = 9.29298710174 -0.303670247891 -1.69700215482 TCL: atom 1: phi = -0.327280945001 TCL: Center of mass = 9.29598571419 -0.303979961401 -1.69717659216 TCL: atom 1: phi = -0.325946938588 TCL: Center of mass = 9.29898482339 -0.304294123176 -1.6973402076 TCL: atom 1: phi = -0.32503427553 TCL: Center of mass = 9.30197597795 -0.304613478812 -1.69750196443 TCL: atom 1: phi = -0.323893948812 TCL: Center of mass = 9.30494564527 -0.304927488722 -1.69765708138 TCL: atom 1: phi = -0.323151101447 TCL: Center of mass = 9.30792168499 -0.305244591544 -1.69780456137 TCL: atom 1: phi = -0.322135853794 TCL: Center of mass = 9.31090010531 -0.305567550754 -1.69794764999 TCL: atom 1: phi = -0.321652079559 TCL: Center of mass = 9.31387304983 -0.30588053619 -1.69808972057 TCL: atom 1: phi = -0.320900805403 TCL: Center of mass = 9.31683369522 -0.306203451783 -1.69823370323 TCL: atom 1: phi = -0.320681959385 TCL: Center of mass = 9.31978489924 -0.306519690601 -1.69837025635 TCL: atom 1: phi = -0.320218281171 TCL: Center of mass = 9.3227335041 -0.306829881064 -1.6985067587 TCL: atom 1: phi = -0.320298304313 TCL: Center of mass = 9.32568485668 -0.307150769083 -1.69864111046 TCL: atom 1: phi = -0.320176821008 TCL: Center of mass = 9.32863587899 -0.307484242651 -1.69877473812 TCL: atom 1: phi = -0.320591487043 TCL: Center of mass = 9.33158214075 -0.307814597645 -1.69891260057 TCL: atom 1: phi = -0.32073434526 TCL: Center of mass = 9.33451914519 -0.308147467485 -1.69904680749 TCL: atom 1: phi = -0.321316896547 TCL: Center of mass = 9.33745242871 -0.308487207893 -1.69917609646 TCL: atom 1: phi = -0.321522590136 TCL: Center of mass = 9.34038335472 -0.308820918452 -1.69932091877 TCL: atom 1: phi = -0.322102123753 TCL: Center of mass = 9.3433331678 -0.309154018152 -1.69947268406 TCL: atom 1: phi = -0.322241790718 TCL: Center of mass = 9.34629234182 -0.309476255222 -1.69962574647 TCL: atom 1: phi = -0.322777515625 TCL: Center of mass = 9.34924863183 -0.309807754649 -1.69977658809 TCL: atom 1: phi = -0.322994028534 TCL: Center of mass = 9.35220661401 -0.310149560441 -1.69993678136 TCL: atom 1: phi = -0.323648925153 TCL: Center of mass = 9.35516290572 -0.310486635783 -1.70009615339 TCL: atom 1: phi = -0.324055037016 TIMING: 4200 CPU: 712.249, 0.170934/step Wall: 871.675, 0.209344/step, 0.918787 hours remaining, 20367 kB of memory in use. ENERGY: 4200 426.7174 671.9940 430.5041 44.9703 -2777.4076 -218.3144 0.0000 0.0000 1124.5974 -296.9388 306.4843 -287.9815 -288.7809 310.3748 624.4047 343.9176 64000.0000 167.7633 169.1701 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200 WRITING COORDINATES TO DCD FILE AT STEP 4200 WRITING COORDINATES TO RESTART FILE AT STEP 4200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 9.35810660516 -0.310830828296 -1.70024425394 TCL: atom 1: phi = -0.324890897455 TCL: Center of mass = 9.36105018726 -0.31118095545 -1.70038996734 TCL: atom 1: phi = -0.325524517238 TCL: Center of mass = 9.36400726032 -0.311524802676 -1.70053335431 TCL: atom 1: phi = -0.326512196072 TCL: Center of mass = 9.36697998867 -0.311884347434 -1.70068739051 TCL: atom 1: phi = -0.327165843923 TCL: Center of mass = 9.36995147115 -0.312239797722 -1.70086142793 TCL: atom 1: phi = -0.328059787344 TCL: Center of mass = 9.37292797842 -0.312583810362 -1.7010389815 TCL: atom 1: phi = -0.328589176945 TCL: Center of mass = 9.3759075576 -0.312919850709 -1.70122095276 TCL: atom 1: phi = -0.329248278525 TCL: Center of mass = 9.37888462811 -0.313237722089 -1.70140153252 TCL: atom 1: phi = -0.329537958368 TCL: Center of mass = 9.3818580524 -0.313556413661 -1.70157348859 TCL: atom 1: phi = -0.329945512172 TCL: Center of mass = 9.38483685272 -0.313871195316 -1.70174342112 TCL: atom 1: phi = -0.329973841406 TCL: Center of mass = 9.38781141999 -0.314190646268 -1.70190674351 TCL: atom 1: phi = -0.330106850601 TCL: Center of mass = 9.39078562109 -0.314514025421 -1.70206406725 TCL: atom 1: phi = -0.329826939043 TCL: Center of mass = 9.3937644593 -0.314831582233 -1.70220071293 TCL: atom 1: phi = -0.329682448043 TCL: Center of mass = 9.39675194179 -0.315147479384 -1.7023288601 TCL: atom 1: phi = -0.329105251799 TCL: Center of mass = 9.39973912048 -0.315464667468 -1.70245357717 TCL: atom 1: phi = -0.328627066464 TCL: Center of mass = 9.40272290223 -0.315775397707 -1.70257751804 TCL: atom 1: phi = -0.327786628384 TCL: Center of mass = 9.40569631085 -0.316099220221 -1.7027061228 TCL: atom 1: phi = -0.327114337442 TCL: Center of mass = 9.40867002393 -0.316435500272 -1.70284265339 TCL: atom 1: phi = -0.326078245286 TCL: Center of mass = 9.41163649538 -0.316765111475 -1.70296502794 TCL: atom 1: phi = -0.325348130914 TCL: Center of mass = 9.4145993632 -0.317080469217 -1.70308741796 TCL: atom 1: phi = -0.32437646664 TCL: Center of mass = 9.41755374696 -0.317391097677 -1.70320834486 TCL: atom 1: phi = -0.323802620844 TCL: Center of mass = 9.42050056049 -0.317693419269 -1.70333011872 TCL: atom 1: phi = -0.323075529373 TCL: Center of mass = 9.42345025917 -0.317997177931 -1.70345643216 TCL: atom 1: phi = -0.322748621922 TCL: Center of mass = 9.4263786731 -0.318294990848 -1.70358380946 TCL: atom 1: phi = -0.322227408041 TCL: Center of mass = 9.42930712725 -0.31859069963 -1.70370673517 TCL: atom 1: phi = -0.322053142435 TCL: Center of mass = 9.43223512678 -0.31888753438 -1.7038173643 TCL: atom 1: phi = -0.321659136518 TCL: Center of mass = 9.43516918826 -0.319170626946 -1.70392430781 TCL: atom 1: phi = -0.321565324609 TCL: Center of mass = 9.43809265012 -0.319449792527 -1.70404405944 TCL: atom 1: phi = -0.321277604172 TCL: Center of mass = 9.44102834542 -0.319741137812 -1.70416350635 TCL: atom 1: phi = -0.321274595183 TCL: Center of mass = 9.44397431363 -0.320037309895 -1.7042837322 TCL: atom 1: phi = -0.321059962104 TCL: Center of mass = 9.44692089506 -0.320334121722 -1.70440963195 TCL: atom 1: phi = -0.321092300367 TCL: Center of mass = 9.44988226604 -0.320639173176 -1.70453451002 TCL: atom 1: phi = -0.320910999145 TCL: Center of mass = 9.45283614347 -0.320944899546 -1.70465874086 TCL: atom 1: phi = -0.320928959798 TCL: Center of mass = 9.45579009775 -0.321255670825 -1.70478595292 TCL: atom 1: phi = -0.320634492311 TCL: Center of mass = 9.45874089441 -0.321565606546 -1.70490357363 TCL: atom 1: phi = -0.320392900747 TCL: Center of mass = 9.46168454363 -0.321876242309 -1.70502079518 TCL: atom 1: phi = -0.319717276982 TCL: Center of mass = 9.46462951467 -0.322195996495 -1.70513899097 TCL: atom 1: phi = -0.319231699795 TCL: Center of mass = 9.46757277319 -0.322532702458 -1.70524949811 TCL: atom 1: phi = -0.31838847 TCL: Center of mass = 9.47050968035 -0.322874998945 -1.70536337694 TCL: atom 1: phi = -0.317783591055 TCL: Center of mass = 9.47344354953 -0.323223858054 -1.70546554179 TCL: atom 1: phi = -0.316958854986 TCL: Center of mass = 9.47638089775 -0.323572803398 -1.70556414704 TCL: atom 1: phi = -0.316494163898 TCL: Center of mass = 9.47932006884 -0.323919601604 -1.70566283441 TCL: atom 1: phi = -0.315840556369 TCL: Center of mass = 9.4822747864 -0.324270524862 -1.70575355265 TCL: atom 1: phi = -0.315598958345 TCL: Center of mass = 9.48522812061 -0.324607589787 -1.7058479715 TCL: atom 1: phi = -0.315180479679 TCL: Center of mass = 9.48817226594 -0.324955492101 -1.70594056046 TCL: atom 1: phi = -0.315164251197 TCL: Center of mass = 9.49112649328 -0.325300882793 -1.70603868114 TCL: atom 1: phi = -0.314892806584 TCL: Center of mass = 9.49407763131 -0.325655506879 -1.70613761309 TCL: atom 1: phi = -0.314963560691 TCL: Center of mass = 9.49702748434 -0.326008880058 -1.70623228046 TCL: atom 1: phi = -0.314770194417 TCL: Center of mass = 9.49997570533 -0.326359209515 -1.70633428386 TCL: atom 1: phi = -0.31490935061 TCL: Center of mass = 9.50291922919 -0.326706008962 -1.70643948337 TCL: atom 1: phi = -0.314765007878 TCL: Center of mass = 9.50585087948 -0.327075554057 -1.70653353534 TCL: atom 1: phi = -0.315000150702 TCL: Center of mass = 9.50876726775 -0.327436069409 -1.70661662025 TCL: atom 1: phi = -0.315004593283 TCL: Center of mass = 9.5116749597 -0.327806457578 -1.70669317262 TCL: atom 1: phi = -0.315414239441 TCL: Center of mass = 9.51458804323 -0.328177836123 -1.70677925092 TCL: atom 1: phi = -0.31550425519 TCL: Center of mass = 9.51750446518 -0.328542455441 -1.70686212701 TCL: atom 1: phi = -0.31582868038 TCL: Center of mass = 9.52042549995 -0.32890356174 -1.70694535575 TCL: atom 1: phi = -0.315691673669 TCL: Center of mass = 9.52334132205 -0.329265398531 -1.70703381601 TCL: atom 1: phi = -0.315708208373 TCL: Center of mass = 9.52626398752 -0.329629507337 -1.70711906087 TCL: atom 1: phi = -0.315317975734 TCL: Center of mass = 9.52917618438 -0.330001865571 -1.70719941852 TCL: atom 1: phi = -0.315154430329 TCL: Center of mass = 9.53208648916 -0.330373290121 -1.70727207991 TCL: atom 1: phi = -0.31467143582 TCL: Center of mass = 9.53499218213 -0.330746383716 -1.70734749378 TCL: atom 1: phi = -0.31455051274 TCL: Center of mass = 9.53789666982 -0.331123331174 -1.70742983111 TCL: atom 1: phi = -0.314320735826 TCL: Center of mass = 9.54079158738 -0.331493920129 -1.70752703918 TCL: atom 1: phi = -0.31467007977 TCL: Center of mass = 9.54367351404 -0.331858473718 -1.70761548685 TCL: atom 1: phi = -0.314909098006 TCL: Center of mass = 9.54656249245 -0.332235284423 -1.70769815762 TCL: atom 1: phi = -0.315640520631 TCL: Center of mass = 9.54944577935 -0.332613091475 -1.70777973072 TCL: atom 1: phi = -0.316139707945 TCL: Center of mass = 9.55232703164 -0.332989725287 -1.70786676172 TCL: atom 1: phi = -0.317033502432 TCL: Center of mass = 9.55520158877 -0.333355947164 -1.70796156523 TCL: atom 1: phi = -0.317592548032 TCL: Center of mass = 9.55808940596 -0.333720672553 -1.70806309016 TCL: atom 1: phi = -0.318463450003 TCL: Center of mass = 9.56096707976 -0.334076431025 -1.70817604025 TCL: atom 1: phi = -0.319097036429 TCL: Center of mass = 9.56384807956 -0.334441573493 -1.7082873073 TCL: atom 1: phi = -0.320005854235 TCL: Center of mass = 9.56674244375 -0.334819597503 -1.70838434092 TCL: atom 1: phi = -0.320717762096 TCL: Center of mass = 9.56963710228 -0.335205688177 -1.70847422479 TCL: atom 1: phi = -0.3216323117 TCL: Center of mass = 9.57253982743 -0.33559413329 -1.70857052303 TCL: atom 1: phi = -0.322287237581 TCL: Center of mass = 9.5754425457 -0.335986290974 -1.70866957463 TCL: atom 1: phi = -0.323071336646 TCL: Center of mass = 9.57834948891 -0.336370209924 -1.70877348253 TCL: atom 1: phi = -0.323449038106 TCL: Center of mass = 9.58125782028 -0.336767997142 -1.7088700611 TCL: atom 1: phi = -0.323838076345 TCL: Center of mass = 9.58417368203 -0.337168446927 -1.70897536757 TCL: atom 1: phi = -0.323779157147 TCL: Center of mass = 9.58708291886 -0.337558593148 -1.7090834711 TCL: atom 1: phi = -0.323712879806 TCL: Center of mass = 9.59000288038 -0.337954811341 -1.70919615616 TCL: atom 1: phi = -0.323262076104 TCL: Center of mass = 9.59292301853 -0.338339498226 -1.70931488913 TCL: atom 1: phi = -0.322960730077 TCL: Center of mass = 9.59583909946 -0.338736132754 -1.70943098878 TCL: atom 1: phi = -0.322476064782 TCL: Center of mass = 9.59876111493 -0.339119634177 -1.70954990312 TCL: atom 1: phi = -0.32230148722 TCL: Center of mass = 9.60167093355 -0.33950352994 -1.70966820685 TCL: atom 1: phi = -0.322056383314 TCL: Center of mass = 9.6045727123 -0.339894577976 -1.70977363875 TCL: atom 1: phi = -0.322137502628 TCL: Center of mass = 9.60747065592 -0.34028920296 -1.70988746511 TCL: atom 1: phi = -0.322160838293 TCL: Center of mass = 9.61037096703 -0.340677038494 -1.71000775123 TCL: atom 1: phi = -0.322489951268 TCL: Center of mass = 9.61325672344 -0.341057683112 -1.71011015072 TCL: atom 1: phi = -0.322658373221 TCL: Center of mass = 9.61613773936 -0.341451401199 -1.71021344629 TCL: atom 1: phi = -0.323024781587 TCL: Center of mass = 9.6190196348 -0.341861210301 -1.71031986378 TCL: atom 1: phi = -0.323211599935 TCL: Center of mass = 9.6219112187 -0.342272231255 -1.71042904897 TCL: atom 1: phi = -0.323627135119 TCL: Center of mass = 9.62480081409 -0.342690001326 -1.71053678724 TCL: atom 1: phi = -0.323842822561 TCL: Center of mass = 9.62768354269 -0.343100658931 -1.71065862011 TCL: atom 1: phi = -0.324322896094 TCL: Center of mass = 9.63056648848 -0.343505960109 -1.71078046896 TCL: atom 1: phi = -0.324728990058 TCL: Center of mass = 9.63344648898 -0.34391742526 -1.71091225854 TCL: atom 1: phi = -0.325405149046 TCL: Center of mass = 9.63632500032 -0.344324256285 -1.71104648989 TCL: atom 1: phi = -0.325822714262 TCL: Center of mass = 9.6392101189 -0.344740148027 -1.71118913816 TCL: atom 1: phi = -0.326426475025 TCL: Center of mass = 9.64210781683 -0.345157067135 -1.71133072875 TCL: atom 1: phi = -0.326719513839 TCL: Center of mass = 9.64499588755 -0.345568145106 -1.71147222205 TCL: atom 1: phi = -0.327064751168 TCL: Center of mass = 9.64788384525 -0.34597508431 -1.71160641685 TCL: atom 1: phi = -0.327137819501 TIMING: 4300 CPU: 729.335, 0.170864/step Wall: 892.608, 0.20933/step, 0.912913 hours remaining, 20380 kB of memory in use. ENERGY: 4300 407.0223 701.5375 424.6135 36.1274 -2785.7611 -218.8026 0.0000 0.0000 1144.9874 -290.2757 312.0411 -281.7215 -280.9894 309.9988 486.7205 393.4535 64000.0000 240.8854 240.3976 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300 WRITING COORDINATES TO DCD FILE AT STEP 4300 WRITING COORDINATES TO RESTART FILE AT STEP 4300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 9.65076334031 -0.346372760302 -1.7117416142 TCL: atom 1: phi = -0.32726625147 TCL: Center of mass = 9.65364488017 -0.346757667509 -1.71188120213 TCL: atom 1: phi = -0.327177827438 TCL: Center of mass = 9.65652565506 -0.347130634557 -1.71202155544 TCL: atom 1: phi = -0.327319786456 TCL: Center of mass = 9.65941174273 -0.347504087311 -1.71216029322 TCL: atom 1: phi = -0.327336973084 TCL: Center of mass = 9.66229009857 -0.347870609741 -1.71229638355 TCL: atom 1: phi = -0.327638251773 TCL: Center of mass = 9.66516551646 -0.348244530217 -1.71242582892 TCL: atom 1: phi = -0.327871791242 TCL: Center of mass = 9.66804240632 -0.348608743485 -1.71256891276 TCL: atom 1: phi = -0.328339666879 TCL: Center of mass = 9.67093145377 -0.34896985213 -1.71272386762 TCL: atom 1: phi = -0.328612141372 TCL: Center of mass = 9.67382583298 -0.349323908554 -1.71287468213 TCL: atom 1: phi = -0.328994924501 TCL: Center of mass = 9.67671384021 -0.34968374557 -1.71304080779 TCL: atom 1: phi = -0.329079689196 TCL: Center of mass = 9.67959006354 -0.350049809088 -1.71320305682 TCL: atom 1: phi = -0.329238882127 TCL: Center of mass = 9.68247070137 -0.350409718795 -1.71336247185 TCL: atom 1: phi = -0.329133700582 TCL: Center of mass = 9.68534918609 -0.350760566684 -1.71351836988 TCL: atom 1: phi = -0.32918356333 TCL: Center of mass = 9.68821628529 -0.351106379689 -1.71367519045 TCL: atom 1: phi = -0.329045509643 TCL: Center of mass = 9.69108909942 -0.351450689795 -1.71381026553 TCL: atom 1: phi = -0.329063795995 TCL: Center of mass = 9.69397525105 -0.351799887843 -1.71394026574 TCL: atom 1: phi = -0.328914807834 TCL: Center of mass = 9.69685077895 -0.352134916184 -1.71407961984 TCL: atom 1: phi = -0.32894186911 TCL: Center of mass = 9.6997183158 -0.352469947257 -1.71420762802 TCL: atom 1: phi = -0.328742083383 TCL: Center of mass = 9.70258706482 -0.352801864603 -1.71434729497 TCL: atom 1: phi = -0.328640363802 TCL: Center of mass = 9.7054481756 -0.353134816447 -1.71450145843 TCL: atom 1: phi = -0.328271824688 TCL: Center of mass = 9.70830781751 -0.353476066638 -1.71466629762 TCL: atom 1: phi = -0.32807751177 TCL: Center of mass = 9.71117259904 -0.353815115836 -1.71482112547 TCL: atom 1: phi = -0.327689677734 TCL: Center of mass = 9.71403268568 -0.354154679674 -1.71498391191 TCL: atom 1: phi = -0.327593171077 TCL: Center of mass = 9.716889472 -0.354499582377 -1.7151453727 TCL: atom 1: phi = -0.327447060669 TCL: Center of mass = 9.71974482744 -0.354835321301 -1.71531340593 TCL: atom 1: phi = -0.327679149103 TCL: Center of mass = 9.72260431938 -0.35517227784 -1.7154832476 TCL: atom 1: phi = -0.327889963158 TCL: Center of mass = 9.72545733376 -0.355512593027 -1.7156680386 TCL: atom 1: phi = -0.328375264606 TCL: Center of mass = 9.72831817729 -0.35584455919 -1.71586230817 TCL: atom 1: phi = -0.328746576227 TCL: Center of mass = 9.73118509524 -0.356183382689 -1.71606590595 TCL: atom 1: phi = -0.329306416153 TCL: Center of mass = 9.73405716639 -0.356520801509 -1.71626296157 TCL: atom 1: phi = -0.329588796312 TCL: Center of mass = 9.73694063069 -0.356861448959 -1.71646003767 TCL: atom 1: phi = -0.329916589854 TCL: Center of mass = 9.73982742095 -0.357216978446 -1.71665534429 TCL: atom 1: phi = -0.329981875978 TCL: Center of mass = 9.74271601796 -0.357586875661 -1.71685352959 TCL: atom 1: phi = -0.330130065523 TCL: Center of mass = 9.74561248704 -0.357952980492 -1.71705011573 TCL: atom 1: phi = -0.330044299734 TCL: Center of mass = 9.74850472182 -0.35831101133 -1.71723424707 TCL: atom 1: phi = -0.330183323333 TCL: Center of mass = 9.75139561182 -0.358674637475 -1.71743350707 TCL: atom 1: phi = -0.330104348369 TCL: Center of mass = 9.75428903232 -0.359038040179 -1.71761933783 TCL: atom 1: phi = -0.330197812371 TCL: Center of mass = 9.75718575076 -0.359399851461 -1.71781576942 TCL: atom 1: phi = -0.329993252279 TCL: Center of mass = 9.76007413008 -0.359761009362 -1.71799538204 TCL: atom 1: phi = -0.329925566065 TCL: Center of mass = 9.76296382597 -0.360127116613 -1.71817611949 TCL: atom 1: phi = -0.329492027556 TCL: Center of mass = 9.7658552203 -0.360487715042 -1.71835607383 TCL: atom 1: phi = -0.329167986976 TCL: Center of mass = 9.7687477783 -0.36086314789 -1.71853174186 TCL: atom 1: phi = -0.328526879375 TCL: Center of mass = 9.77164292081 -0.361239771558 -1.71871338655 TCL: atom 1: phi = -0.32805579627 TCL: Center of mass = 9.77453729481 -0.361616098775 -1.71889732357 TCL: atom 1: phi = -0.327365077584 TCL: Center of mass = 9.77742506931 -0.362005574189 -1.71908622598 TCL: atom 1: phi = -0.327072336798 TCL: Center of mass = 9.7803100944 -0.362392065096 -1.71927420856 TCL: atom 1: phi = -0.326660659929 TCL: Center of mass = 9.78319653158 -0.362777101878 -1.7194707088 TCL: atom 1: phi = -0.326590558203 TCL: Center of mass = 9.78608418853 -0.363150628049 -1.71967405294 TCL: atom 1: phi = -0.326357267451 TCL: Center of mass = 9.78896744398 -0.363524206701 -1.7198816058 TCL: atom 1: phi = -0.326374946995 TCL: Center of mass = 9.7918641032 -0.363898080468 -1.72008960525 TCL: atom 1: phi = -0.325996692505 TCL: Center of mass = 9.79476076887 -0.364269468373 -1.72030674756 TCL: atom 1: phi = -0.325826028018 TCL: Center of mass = 9.79765077988 -0.364633333378 -1.72052276543 TCL: atom 1: phi = -0.325282599263 TCL: Center of mass = 9.80054111936 -0.364994734791 -1.72074267132 TCL: atom 1: phi = -0.324997264693 TCL: Center of mass = 9.80343237989 -0.365350239262 -1.72095731475 TCL: atom 1: phi = -0.324399567176 TCL: Center of mass = 9.80632800667 -0.365704717066 -1.7211731848 TCL: atom 1: phi = -0.324152721875 TCL: Center of mass = 9.80923126116 -0.366064102138 -1.72138492936 TCL: atom 1: phi = -0.323718236743 TCL: Center of mass = 9.81212603749 -0.366427449671 -1.72158478534 TCL: atom 1: phi = -0.323811725474 TCL: Center of mass = 9.81501609003 -0.366788470108 -1.72178618607 TCL: atom 1: phi = -0.323709426057 TCL: Center of mass = 9.81790471257 -0.367147897933 -1.72199335866 TCL: atom 1: phi = -0.323996790822 TCL: Center of mass = 9.82079180257 -0.367502641271 -1.72220496388 TCL: atom 1: phi = -0.323984819967 TCL: Center of mass = 9.82368656201 -0.367855527572 -1.72241246704 TCL: atom 1: phi = -0.324396412101 TCL: Center of mass = 9.82657925905 -0.368205556195 -1.72260893748 TCL: atom 1: phi = -0.324539110319 TCL: Center of mass = 9.82947112155 -0.3685527141 -1.72281053536 TCL: atom 1: phi = -0.325064909651 TCL: Center of mass = 9.83236203926 -0.368895826899 -1.7230166108 TCL: atom 1: phi = -0.325390142933 TCL: Center of mass = 9.83525308778 -0.369228302719 -1.72323133737 TCL: atom 1: phi = -0.326279487239 TCL: Center of mass = 9.83814252254 -0.36954106339 -1.72344962403 TCL: atom 1: phi = -0.32704687701 TCL: Center of mass = 9.84104492862 -0.369843192676 -1.72366679996 TCL: atom 1: phi = -0.328292624111 TCL: Center of mass = 9.84394204941 -0.370144553383 -1.72388442596 TCL: atom 1: phi = -0.329300599505 TCL: Center of mass = 9.84684727708 -0.370445477187 -1.72409188578 TCL: atom 1: phi = -0.330648271603 TCL: Center of mass = 9.84974895106 -0.370754230546 -1.72430138508 TCL: atom 1: phi = -0.3316018211 TCL: Center of mass = 9.8526490753 -0.371053429052 -1.72450044898 TCL: atom 1: phi = -0.332647003466 TCL: Center of mass = 9.85554295615 -0.371357858569 -1.72469908887 TCL: atom 1: phi = -0.333178728865 TCL: Center of mass = 9.85843906111 -0.371668410152 -1.72489268283 TCL: atom 1: phi = -0.333731510835 TCL: Center of mass = 9.86133570356 -0.371985267958 -1.72508700834 TCL: atom 1: phi = -0.333820620397 TCL: Center of mass = 9.86422941786 -0.372297892797 -1.72527736184 TCL: atom 1: phi = -0.334010577475 TCL: Center of mass = 9.86712097689 -0.372612888899 -1.72546760641 TCL: atom 1: phi = -0.333782988676 TCL: Center of mass = 9.87001587995 -0.372929746291 -1.72566453805 TCL: atom 1: phi = -0.333753205243 TCL: Center of mass = 9.87290673281 -0.373235373629 -1.72585873194 TCL: atom 1: phi = -0.333351010975 TCL: Center of mass = 9.87579345646 -0.373553979503 -1.72603997171 TCL: atom 1: phi = -0.333167043101 TCL: Center of mass = 9.87867820021 -0.373875496748 -1.7262295994 TCL: atom 1: phi = -0.332654805582 TCL: Center of mass = 9.88155260211 -0.374188605895 -1.72642353609 TCL: atom 1: phi = -0.332333719266 TCL: Center of mass = 9.88442580069 -0.374485998416 -1.72661139346 TCL: atom 1: phi = -0.33153292022 TCL: Center of mass = 9.88728815982 -0.374793182661 -1.72679828696 TCL: atom 1: phi = -0.330919304379 TCL: Center of mass = 9.89014809828 -0.375114791268 -1.72698080943 TCL: atom 1: phi = -0.329986764264 TCL: Center of mass = 9.89300767875 -0.375447704783 -1.72716998343 TCL: atom 1: phi = -0.329405717725 TCL: Center of mass = 9.89586521672 -0.375789062884 -1.72736226543 TCL: atom 1: phi = -0.328654213996 TCL: Center of mass = 9.89871563707 -0.376124874054 -1.72755414884 TCL: atom 1: phi = -0.328389379564 TCL: Center of mass = 9.90156191472 -0.376450898735 -1.72773701123 TCL: atom 1: phi = -0.328043017614 TCL: Center of mass = 9.90440945922 -0.376779009184 -1.72790846007 TCL: atom 1: phi = -0.328141124947 TCL: Center of mass = 9.90725322878 -0.377116073916 -1.72808792767 TCL: atom 1: phi = -0.328019460202 TCL: Center of mass = 9.91009043251 -0.37745695533 -1.72826128295 TCL: atom 1: phi = -0.328183145578 TCL: Center of mass = 9.91293226864 -0.37779870819 -1.72844357833 TCL: atom 1: phi = -0.327973984706 TCL: Center of mass = 9.91578091065 -0.378138726911 -1.72862065977 TCL: atom 1: phi = -0.327869932283 TCL: Center of mass = 9.91862668763 -0.378495012681 -1.72879859789 TCL: atom 1: phi = -0.327338493511 TCL: Center of mass = 9.92147153456 -0.378850986533 -1.72897431317 TCL: atom 1: phi = -0.326967808636 TCL: Center of mass = 9.92431540003 -0.379210678493 -1.72913719952 TCL: atom 1: phi = -0.326377393864 TCL: Center of mass = 9.92716033061 -0.37956805426 -1.72930499612 TCL: atom 1: phi = -0.326062656405 TCL: Center of mass = 9.92999625581 -0.379925783838 -1.72946592946 TCL: atom 1: phi = -0.325518154154 TCL: Center of mass = 9.93283283598 -0.380287046502 -1.7296256709 TCL: atom 1: phi = -0.325294070692 TCL: Center of mass = 9.93566841239 -0.380633386941 -1.72977910214 TCL: atom 1: phi = -0.324790331333 TIMING: 4400 CPU: 746.52, 0.171844/step Wall: 913.588, 0.209802/step, 0.909142 hours remaining, 20404 kB of memory in use. ENERGY: 4400 427.4982 705.0179 404.4326 34.9883 -2795.5093 -217.9651 0.0000 0.0000 1134.5060 -307.0313 309.1846 -298.2768 -298.0029 310.8865 48.7350 387.9380 64000.0000 337.7220 344.8133 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400 WRITING COORDINATES TO DCD FILE AT STEP 4400 WRITING COORDINATES TO RESTART FILE AT STEP 4400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 9.93850230589 -0.380990245812 -1.7299345113 TCL: atom 1: phi = -0.324453236561 TCL: Center of mass = 9.94133190034 -0.381335954046 -1.73008044617 TCL: atom 1: phi = -0.323797545745 TCL: Center of mass = 9.94415394925 -0.381671924689 -1.73022098878 TCL: atom 1: phi = -0.323293268577 TCL: Center of mass = 9.9469603692 -0.382008058444 -1.73037880138 TCL: atom 1: phi = -0.322439279272 TCL: Center of mass = 9.9497551383 -0.382330816608 -1.73052901934 TCL: atom 1: phi = -0.321856334532 TCL: Center of mass = 9.95255194415 -0.382647170006 -1.73067532652 TCL: atom 1: phi = -0.32105060307 TCL: Center of mass = 9.95534896257 -0.382974674393 -1.73082117598 TCL: atom 1: phi = -0.320688528329 TCL: Center of mass = 9.95815335056 -0.383300571101 -1.73097269533 TCL: atom 1: phi = -0.320241074825 TCL: Center of mass = 9.96094907328 -0.38361988679 -1.73112284585 TCL: atom 1: phi = -0.320285431366 TCL: Center of mass = 9.96373844841 -0.383939129594 -1.73127086648 TCL: atom 1: phi = -0.320088552785 TCL: Center of mass = 9.96652736551 -0.384254110868 -1.73142666612 TCL: atom 1: phi = -0.320138697879 TCL: Center of mass = 9.96930582554 -0.384570631513 -1.73157741802 TCL: atom 1: phi = -0.319825157651 TCL: Center of mass = 9.97208905267 -0.384886019675 -1.73172102983 TCL: atom 1: phi = -0.319589822311 TCL: Center of mass = 9.97488782635 -0.385210867336 -1.73186059625 TCL: atom 1: phi = -0.318867793328 TCL: Center of mass = 9.97769946938 -0.38553010982 -1.73200166236 TCL: atom 1: phi = -0.31827830265 TCL: Center of mass = 9.98051672024 -0.385854430533 -1.73213509321 TCL: atom 1: phi = -0.317354949166 TCL: Center of mass = 9.98333456676 -0.386184603904 -1.73226708658 TCL: atom 1: phi = -0.316753552797 TCL: Center of mass = 9.98614606126 -0.386514467416 -1.73240168071 TCL: atom 1: phi = -0.315949156923 TCL: Center of mass = 9.98893829325 -0.386843843085 -1.73252857986 TCL: atom 1: phi = -0.315537117923 TCL: Center of mass = 9.99172284708 -0.387169064336 -1.73264606218 TCL: atom 1: phi = -0.314987958613 TCL: Center of mass = 9.99450856552 -0.38748470186 -1.73274965116 TCL: atom 1: phi = -0.314759151129 TCL: Center of mass = 9.99729475042 -0.387794259381 -1.73284226372 TCL: atom 1: phi = -0.314187916478 TCL: Center of mass = 10.0000759235 -0.38810652741 -1.7329370265 TCL: atom 1: phi = -0.313828216166 TCL: Center of mass = 10.0028559836 -0.388410142849 -1.73303891266 TCL: atom 1: phi = -0.313166006111 TCL: Center of mass = 10.0056241707 -0.388703426425 -1.73315017147 TCL: atom 1: phi = -0.312767586849 TCL: Center of mass = 10.008400063 -0.388983290836 -1.73325283537 TCL: atom 1: phi = -0.312182886134 TCL: Center of mass = 10.0111909611 -0.389264656413 -1.7333469437 TCL: atom 1: phi = -0.312038455449 TCL: Center of mass = 10.0139789459 -0.389540284549 -1.73344075999 TCL: atom 1: phi = -0.311814965771 TCL: Center of mass = 10.0167640993 -0.389817646868 -1.73352732739 TCL: atom 1: phi = -0.312051015016 TCL: Center of mass = 10.0195442377 -0.390089359792 -1.73361161884 TCL: atom 1: phi = -0.312130606279 TCL: Center of mass = 10.022317194 -0.390363218511 -1.73369325385 TCL: atom 1: phi = -0.312502564783 TCL: Center of mass = 10.0251003018 -0.390623310093 -1.7337819497 TCL: atom 1: phi = -0.312542324797 TCL: Center of mass = 10.0278764742 -0.39089274067 -1.7338572948 TCL: atom 1: phi = -0.312701369056 TCL: Center of mass = 10.0306584459 -0.391159871261 -1.73395530557 TCL: atom 1: phi = -0.31254303289 TCL: Center of mass = 10.0334466837 -0.391426326782 -1.73405269585 TCL: atom 1: phi = -0.3125229943 TCL: Center of mass = 10.0362436426 -0.391689617564 -1.73414820241 TCL: atom 1: phi = -0.312173049525 TCL: Center of mass = 10.0390404164 -0.391944122667 -1.73424487325 TCL: atom 1: phi = -0.31207605086 TCL: Center of mass = 10.0418494913 -0.39220224814 -1.73435150352 TCL: atom 1: phi = -0.311858786328 TCL: Center of mass = 10.0446460738 -0.392458069632 -1.73445749194 TCL: atom 1: phi = -0.312004846987 TCL: Center of mass = 10.0474557688 -0.392720395118 -1.73456020687 TCL: atom 1: phi = -0.312024828201 TCL: Center of mass = 10.0502616797 -0.3929802038 -1.73466175481 TCL: atom 1: phi = -0.312332721733 TCL: Center of mass = 10.0530600377 -0.393250193528 -1.73476698007 TCL: atom 1: phi = -0.31242998747 TCL: Center of mass = 10.0558502661 -0.393521775509 -1.73486650437 TCL: atom 1: phi = -0.312653308398 TCL: Center of mass = 10.0586323377 -0.393782199954 -1.73498057917 TCL: atom 1: phi = -0.312586194461 TCL: Center of mass = 10.0614182791 -0.394053559359 -1.73508608192 TCL: atom 1: phi = -0.312638075997 TCL: Center of mass = 10.0642075191 -0.394320848163 -1.73518499333 TCL: atom 1: phi = -0.312439668112 TCL: Center of mass = 10.0669842321 -0.394586220295 -1.73528074382 TCL: atom 1: phi = -0.312421725622 TCL: Center of mass = 10.0697597433 -0.394857827068 -1.73537868531 TCL: atom 1: phi = -0.312300958799 TCL: Center of mass = 10.0725517628 -0.395129858189 -1.73546690543 TCL: atom 1: phi = -0.31245829109 TCL: Center of mass = 10.0753422184 -0.395402487435 -1.73555366437 TCL: atom 1: phi = -0.312456758168 TCL: Center of mass = 10.078120504 -0.395675875839 -1.73563856841 TCL: atom 1: phi = -0.31266998413 TCL: Center of mass = 10.0809110502 -0.395941603746 -1.73573580296 TCL: atom 1: phi = -0.312590632359 TCL: Center of mass = 10.083713845 -0.396201087768 -1.73583718421 TCL: atom 1: phi = -0.312554940961 TCL: Center of mass = 10.0865216436 -0.39646408375 -1.73592308366 TCL: atom 1: phi = -0.312116563116 TCL: Center of mass = 10.0893263892 -0.396727102022 -1.73601988953 TCL: atom 1: phi = -0.311647853635 TCL: Center of mass = 10.0921309197 -0.396983796706 -1.73612475166 TCL: atom 1: phi = -0.310861496039 TCL: Center of mass = 10.0949224381 -0.397236969455 -1.73623768062 TCL: atom 1: phi = -0.310172509068 TCL: Center of mass = 10.09771505 -0.397485630695 -1.73634408244 TCL: atom 1: phi = -0.309323525678 TCL: Center of mass = 10.1005051093 -0.397729049828 -1.73645481546 TCL: atom 1: phi = -0.30881582846 TCL: Center of mass = 10.103280246 -0.397966424941 -1.73655568771 TCL: atom 1: phi = -0.30825302105 TCL: Center of mass = 10.1060622824 -0.39821169983 -1.73665497508 TCL: atom 1: phi = -0.308034893964 TCL: Center of mass = 10.1088533405 -0.398451275857 -1.73675577807 TCL: atom 1: phi = -0.307746763599 TCL: Center of mass = 10.1116505552 -0.398675647952 -1.73685646453 TCL: atom 1: phi = -0.307720768508 TCL: Center of mass = 10.114448097 -0.398902287083 -1.73695748717 TCL: atom 1: phi = -0.307484397632 TCL: Center of mass = 10.1172464416 -0.399134689935 -1.7370671958 TCL: atom 1: phi = -0.30741937263 TCL: Center of mass = 10.1200357912 -0.399374920449 -1.73717271951 TCL: atom 1: phi = -0.307144519185 TCL: Center of mass = 10.1228152578 -0.39960988101 -1.73727675746 TCL: atom 1: phi = -0.307130253107 TCL: Center of mass = 10.1256033345 -0.399850977984 -1.73737721447 TCL: atom 1: phi = -0.306949447678 TCL: Center of mass = 10.1283937486 -0.400087076515 -1.7374761983 TCL: atom 1: phi = -0.307094962369 TCL: Center of mass = 10.1311817048 -0.400313269597 -1.73758086728 TCL: atom 1: phi = -0.307060510792 TCL: Center of mass = 10.133967096 -0.400538506441 -1.73768547046 TCL: atom 1: phi = -0.307294335963 TCL: Center of mass = 10.1367487817 -0.40076089699 -1.73780606672 TCL: atom 1: phi = -0.307262907116 TCL: Center of mass = 10.1395343648 -0.400988208994 -1.73792140367 TCL: atom 1: phi = -0.307294616742 TCL: Center of mass = 10.1423165218 -0.401216665697 -1.7380372156 TCL: atom 1: phi = -0.306935913485 TCL: Center of mass = 10.1450851739 -0.401441044722 -1.73815313391 TCL: atom 1: phi = -0.306540385133 TCL: Center of mass = 10.1478560339 -0.401653686528 -1.7382725759 TCL: atom 1: phi = -0.305711601748 TCL: Center of mass = 10.1506331627 -0.401873769613 -1.73840017035 TCL: atom 1: phi = -0.304971070246 TCL: Center of mass = 10.1534103236 -0.402086881795 -1.7385272196 TCL: atom 1: phi = -0.303978912704 TCL: Center of mass = 10.1561829617 -0.402306642546 -1.73865727605 TCL: atom 1: phi = -0.303267473407 TCL: Center of mass = 10.1589535342 -0.40253034505 -1.73878119465 TCL: atom 1: phi = -0.302472733906 TCL: Center of mass = 10.1617225119 -0.402740551553 -1.7388980328 TCL: atom 1: phi = -0.30198629684 TCL: Center of mass = 10.1644994012 -0.402954171815 -1.7390181694 TCL: atom 1: phi = -0.301339737389 TCL: Center of mass = 10.1672813513 -0.403161172952 -1.73914009251 TCL: atom 1: phi = -0.300995785035 TCL: Center of mass = 10.170067038 -0.403361601255 -1.73926554242 TCL: atom 1: phi = -0.300455664369 TCL: Center of mass = 10.1728594194 -0.403560643769 -1.73940439417 TCL: atom 1: phi = -0.300091895411 TCL: Center of mass = 10.1756485527 -0.403765642273 -1.73953144528 TCL: atom 1: phi = -0.29949388381 TCL: Center of mass = 10.1784440265 -0.40396498622 -1.73964853274 TCL: atom 1: phi = -0.299048562821 TCL: Center of mass = 10.1812326297 -0.404163364502 -1.73976310604 TCL: atom 1: phi = -0.298377734311 TCL: Center of mass = 10.1840255682 -0.404367938968 -1.73987689138 TCL: atom 1: phi = -0.298007081969 TCL: Center of mass = 10.1868175635 -0.404572091558 -1.74000603322 TCL: atom 1: phi = -0.297484401796 TCL: Center of mass = 10.1895976711 -0.404771022783 -1.74013895413 TCL: atom 1: phi = -0.29721879469 TCL: Center of mass = 10.192379686 -0.404958346626 -1.74026458885 TCL: atom 1: phi = -0.296766707775 TCL: Center of mass = 10.1951591827 -0.40514717232 -1.74039609793 TCL: atom 1: phi = -0.296508361338 TCL: Center of mass = 10.19793583 -0.405340319799 -1.7405360098 TCL: atom 1: phi = -0.295927053537 TCL: Center of mass = 10.2007331381 -0.405525549702 -1.74069497998 TCL: atom 1: phi = -0.295409202707 TCL: Center of mass = 10.2035361988 -0.405705616768 -1.74084321745 TCL: atom 1: phi = -0.294561565808 TCL: Center of mass = 10.2063253112 -0.405886174659 -1.74099281109 TCL: atom 1: phi = -0.293791120899 TCL: Center of mass = 10.209108036 -0.406078187949 -1.74114455287 TCL: atom 1: phi = -0.292767508121 TCL: Center of mass = 10.2119017042 -0.406261244277 -1.74130305093 TCL: atom 1: phi = -0.291965036503 TCL: Center of mass = 10.2146880345 -0.406447081317 -1.74146844662 TCL: atom 1: phi = -0.291017894284 TIMING: 4500 CPU: 763.744, 0.172244/step Wall: 934.532, 0.20944/step, 0.901757 hours remaining, 20404 kB of memory in use. ENERGY: 4500 422.3020 646.0023 413.7945 42.7640 -2745.6230 -217.4491 0.0000 0.0000 1127.4977 -310.7116 307.2747 -301.5048 -303.0433 306.7297 456.3292 277.5213 64000.0000 205.0675 199.3212 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500 WRITING COORDINATES TO DCD FILE AT STEP 4500 WRITING COORDINATES TO RESTART FILE AT STEP 4500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.2174775883 -0.406635047013 -1.7416363975 TCL: atom 1: phi = -0.290388432643 TCL: Center of mass = 10.2202692096 -0.40681563601 -1.74180488934 TCL: atom 1: phi = -0.289689536988 TCL: Center of mass = 10.2230729579 -0.407004703794 -1.74197089602 TCL: atom 1: phi = -0.289228522314 TCL: Center of mass = 10.2258573395 -0.407188737203 -1.74212968167 TCL: atom 1: phi = -0.288601854506 TCL: Center of mass = 10.2286355513 -0.407372117156 -1.74227559484 TCL: atom 1: phi = -0.288158576133 TCL: Center of mass = 10.2314258821 -0.407563453294 -1.74242152853 TCL: atom 1: phi = -0.287458599632 TCL: Center of mass = 10.2342067035 -0.407763342223 -1.74257378864 TCL: atom 1: phi = -0.286891001246 TCL: Center of mass = 10.237000293 -0.40796301941 -1.74272589385 TCL: atom 1: phi = -0.286071354425 TCL: Center of mass = 10.2397896732 -0.408176528935 -1.7428835976 TCL: atom 1: phi = -0.285489313534 TCL: Center of mass = 10.2425693846 -0.408392651915 -1.74303267763 TCL: atom 1: phi = -0.284713252234 TCL: Center of mass = 10.2453598117 -0.408610087308 -1.74317789702 TCL: atom 1: phi = -0.28420601681 TCL: Center of mass = 10.2481516792 -0.40881824243 -1.74332337714 TCL: atom 1: phi = -0.283515831446 TCL: Center of mass = 10.2509432262 -0.409014334002 -1.74346678606 TCL: atom 1: phi = -0.283053269744 TCL: Center of mass = 10.2537310136 -0.409211176834 -1.74360466818 TCL: atom 1: phi = -0.282406938337 TCL: Center of mass = 10.2565178497 -0.409410099371 -1.7437438258 TCL: atom 1: phi = -0.281973280263 TCL: Center of mass = 10.259309532 -0.40961142554 -1.74388322294 TCL: atom 1: phi = -0.281249500711 TCL: Center of mass = 10.2620932042 -0.409811569886 -1.74402758407 TCL: atom 1: phi = -0.280733548896 TCL: Center of mass = 10.264880585 -0.41000984907 -1.74417539459 TCL: atom 1: phi = -0.279994143856 TCL: Center of mass = 10.2676799072 -0.410210889561 -1.7443115302 TCL: atom 1: phi = -0.279493708042 TCL: Center of mass = 10.2704835134 -0.410418904735 -1.74444550601 TCL: atom 1: phi = -0.278857042541 TCL: Center of mass = 10.2732916564 -0.410628936822 -1.74458286049 TCL: atom 1: phi = -0.278581770573 TCL: Center of mass = 10.2760909913 -0.410838734723 -1.74471555977 TCL: atom 1: phi = -0.278243312528 TCL: Center of mass = 10.2788920587 -0.41104895018 -1.74485462313 TCL: atom 1: phi = -0.27822881406 TCL: Center of mass = 10.2816919492 -0.411265057454 -1.74498981781 TCL: atom 1: phi = -0.278085313084 TCL: Center of mass = 10.2844895351 -0.411476594444 -1.74511604625 TCL: atom 1: phi = -0.278226803401 TCL: Center of mass = 10.2872811172 -0.411690986097 -1.745233238 TCL: atom 1: phi = -0.27820520929 TCL: Center of mass = 10.2900725909 -0.411899965107 -1.74535174352 TCL: atom 1: phi = -0.278396780331 TCL: Center of mass = 10.2928645148 -0.412113831396 -1.74545650958 TCL: atom 1: phi = -0.278307396708 TCL: Center of mass = 10.2956511743 -0.412329524328 -1.74556069343 TCL: atom 1: phi = -0.278357384439 TCL: Center of mass = 10.2984341814 -0.412546777948 -1.74565745558 TCL: atom 1: phi = -0.278192462911 TCL: Center of mass = 10.3012293993 -0.412763338776 -1.74575737135 TCL: atom 1: phi = -0.27823206836 TCL: Center of mass = 10.3040248453 -0.412995729045 -1.74585837527 TCL: atom 1: phi = -0.278121672757 TCL: Center of mass = 10.3068238094 -0.413218285166 -1.74595129187 TCL: atom 1: phi = -0.278211319197 TCL: Center of mass = 10.3096290931 -0.413447167944 -1.74604618255 TCL: atom 1: phi = -0.27807709567 TCL: Center of mass = 10.3124342065 -0.413668911053 -1.74613488949 TCL: atom 1: phi = -0.278137640673 TCL: Center of mass = 10.3152294716 -0.413882022189 -1.74622022838 TCL: atom 1: phi = -0.27792335645 TCL: Center of mass = 10.318021896 -0.414091823501 -1.74629675262 TCL: atom 1: phi = -0.277830082203 TCL: Center of mass = 10.3208026596 -0.414299756781 -1.74637011673 TCL: atom 1: phi = -0.277493562047 TCL: Center of mass = 10.323596072 -0.414522444973 -1.74644249716 TCL: atom 1: phi = -0.277337081057 TCL: Center of mass = 10.326373361 -0.414746502806 -1.74652249827 TCL: atom 1: phi = -0.277036705142 TCL: Center of mass = 10.3291480561 -0.414976910124 -1.74659373047 TCL: atom 1: phi = -0.276971150304 TCL: Center of mass = 10.3319235311 -0.415208166012 -1.74665431943 TCL: atom 1: phi = -0.276836878821 TCL: Center of mass = 10.3346963461 -0.415437009817 -1.74672126244 TCL: atom 1: phi = -0.277049948774 TCL: Center of mass = 10.337466071 -0.415673190297 -1.74679082508 TCL: atom 1: phi = -0.277155875377 TCL: Center of mass = 10.3402461859 -0.415921895249 -1.7468616571 TCL: atom 1: phi = -0.277485278899 TCL: Center of mass = 10.3430273254 -0.41617049989 -1.74694613971 TCL: atom 1: phi = -0.27767855217 TCL: Center of mass = 10.3457941185 -0.416436526691 -1.74702429592 TCL: atom 1: phi = -0.278061962426 TCL: Center of mass = 10.3485607494 -0.416702764605 -1.7470935805 TCL: atom 1: phi = -0.278224363117 TCL: Center of mass = 10.3513208651 -0.41697155765 -1.74716034184 TCL: atom 1: phi = -0.278519075048 TCL: Center of mass = 10.3540865023 -0.417228487726 -1.74723281506 TCL: atom 1: phi = -0.278542878308 TCL: Center of mass = 10.3568631705 -0.417488117807 -1.74730330301 TCL: atom 1: phi = -0.278718685608 TCL: Center of mass = 10.3596465564 -0.417743727762 -1.7473691613 TCL: atom 1: phi = -0.278668138359 TCL: Center of mass = 10.3624371876 -0.417991369047 -1.74744144516 TCL: atom 1: phi = -0.278842120905 TCL: Center of mass = 10.3652235302 -0.41823845623 -1.74751964763 TCL: atom 1: phi = -0.278835188013 TCL: Center of mass = 10.367998866 -0.418491768101 -1.74761862 TCL: atom 1: phi = -0.279032347627 TCL: Center of mass = 10.3707816568 -0.418751380501 -1.7477166126 TCL: atom 1: phi = -0.279029641348 TCL: Center of mass = 10.3735547571 -0.419005212759 -1.74781741405 TCL: atom 1: phi = -0.279216137756 TCL: Center of mass = 10.3763225862 -0.419249914181 -1.74791347501 TCL: atom 1: phi = -0.279189451531 TCL: Center of mass = 10.3790859034 -0.419489680441 -1.74800736412 TCL: atom 1: phi = -0.279364606406 TCL: Center of mass = 10.3818557781 -0.419726736345 -1.74811105801 TCL: atom 1: phi = -0.27935804538 TCL: Center of mass = 10.3846254438 -0.419974493597 -1.74822305842 TCL: atom 1: phi = -0.279561097303 TCL: Center of mass = 10.3873953155 -0.420226742309 -1.74834132542 TCL: atom 1: phi = -0.279639697473 TCL: Center of mass = 10.3901661194 -0.420484848456 -1.74846164485 TCL: atom 1: phi = -0.280017313118 TCL: Center of mass = 10.3929253637 -0.420741886914 -1.74860384834 TCL: atom 1: phi = -0.280269849383 TCL: Center of mass = 10.3956912839 -0.421009903045 -1.74874071453 TCL: atom 1: phi = -0.280804623217 TCL: Center of mass = 10.3984429949 -0.421273849135 -1.74887271157 TCL: atom 1: phi = -0.281108255867 TCL: Center of mass = 10.4012024623 -0.4215358702 -1.7489881176 TCL: atom 1: phi = -0.281534707188 TCL: Center of mass = 10.4039589989 -0.421791615268 -1.74909851134 TCL: atom 1: phi = -0.281604304067 TCL: Center of mass = 10.4067109827 -0.422048004851 -1.74919839661 TCL: atom 1: phi = -0.28168297691 TCL: Center of mass = 10.409460792 -0.422299304146 -1.74930243423 TCL: atom 1: phi = -0.28126893072 TCL: Center of mass = 10.4122096471 -0.422556892612 -1.7494146765 TCL: atom 1: phi = -0.280863262284 TCL: Center of mass = 10.4149769413 -0.422813343796 -1.74953443465 TCL: atom 1: phi = -0.280055520417 TCL: Center of mass = 10.4177222938 -0.42306222875 -1.7496571499 TCL: atom 1: phi = -0.279310115647 TCL: Center of mass = 10.4204603302 -0.423308378734 -1.74978241908 TCL: atom 1: phi = -0.278217855831 TCL: Center of mass = 10.42320401 -0.423551358381 -1.74991090398 TCL: atom 1: phi = -0.277313453132 TCL: Center of mass = 10.4259562278 -0.423790195221 -1.75004273308 TCL: atom 1: phi = -0.276156399413 TCL: Center of mass = 10.4286948327 -0.42402868191 -1.75016940264 TCL: atom 1: phi = -0.275197686354 TCL: Center of mass = 10.4314285801 -0.424272079709 -1.75030226798 TCL: atom 1: phi = -0.273937422297 TCL: Center of mass = 10.4341661018 -0.424519536663 -1.75042500211 TCL: atom 1: phi = -0.272894743944 TCL: Center of mass = 10.436900758 -0.424754981257 -1.75055274684 TCL: atom 1: phi = -0.271616660918 TCL: Center of mass = 10.4396404163 -0.424983548579 -1.75068234252 TCL: atom 1: phi = -0.270680088901 TCL: Center of mass = 10.4423753883 -0.425216165561 -1.7508096336 TCL: atom 1: phi = -0.269564848129 TCL: Center of mass = 10.4450912436 -0.425445565542 -1.75093773547 TCL: atom 1: phi = -0.268894718315 TCL: Center of mass = 10.4478022236 -0.425669546336 -1.7510738523 TCL: atom 1: phi = -0.26811957218 TCL: Center of mass = 10.4505153634 -0.425882913946 -1.75121096625 TCL: atom 1: phi = -0.267870531277 TCL: Center of mass = 10.4532253809 -0.426091981541 -1.75134029394 TCL: atom 1: phi = -0.267506268907 TCL: Center of mass = 10.4559274113 -0.426303741624 -1.75145883167 TCL: atom 1: phi = -0.267588271768 TCL: Center of mass = 10.458634618 -0.426517256074 -1.75157349025 TCL: atom 1: phi = -0.267507189451 TCL: Center of mass = 10.4613513029 -0.426730925237 -1.75169436252 TCL: atom 1: phi = -0.267791273052 TCL: Center of mass = 10.4640570937 -0.426940782434 -1.75181936682 TCL: atom 1: phi = -0.267778723903 TCL: Center of mass = 10.4667517907 -0.42715222303 -1.75193961361 TCL: atom 1: phi = -0.268024308565 TCL: Center of mass = 10.4694387348 -0.42737207903 -1.75205569496 TCL: atom 1: phi = -0.267988567249 TCL: Center of mass = 10.472118967 -0.427596493821 -1.75217840819 TCL: atom 1: phi = -0.268219289402 TCL: Center of mass = 10.4748022724 -0.427837433122 -1.75230639083 TCL: atom 1: phi = -0.268226361508 TCL: Center of mass = 10.4774968222 -0.428074241897 -1.75243152913 TCL: atom 1: phi = -0.268570043134 TCL: Center of mass = 10.4801932256 -0.428311357332 -1.75255749259 TCL: atom 1: phi = -0.268769746793 TCL: Center of mass = 10.4828916407 -0.428550256229 -1.75268615751 TCL: atom 1: phi = -0.269287248217 TCL: Center of mass = 10.4855930907 -0.428779827578 -1.75282134204 TCL: atom 1: phi = -0.269624417113 TCL: Center of mass = 10.4882948118 -0.429021305266 -1.75295703118 TCL: atom 1: phi = -0.270220349084 TCL: Center of mass = 10.4910012636 -0.42926618933 -1.75308114041 TCL: atom 1: phi = -0.270643597323 TIMING: 4600 CPU: 780.775, 0.170314/step Wall: 955.378, 0.208459/step, 0.891742 hours remaining, 20424 kB of memory in use. ENERGY: 4600 415.5140 694.4516 407.0652 47.1626 -2811.0498 -208.6352 0.0000 0.0000 1138.0295 -317.4621 310.1449 -308.9165 -307.9645 308.2580 349.8391 -93.0484 64000.0000 306.6045 307.2531 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600 WRITING COORDINATES TO DCD FILE AT STEP 4600 WRITING COORDINATES TO RESTART FILE AT STEP 4600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.4937233615 -0.429520402429 -1.75320904544 TCL: atom 1: phi = -0.271310625181 TCL: Center of mass = 10.4964391106 -0.42978096902 -1.75334263515 TCL: atom 1: phi = -0.271809375693 TCL: Center of mass = 10.4991564596 -0.430052681337 -1.75347605213 TCL: atom 1: phi = -0.27253499966 TCL: Center of mass = 10.5018779758 -0.430323765708 -1.75363416984 TCL: atom 1: phi = -0.273135005949 TCL: Center of mass = 10.5045978438 -0.430597029802 -1.75379272176 TCL: atom 1: phi = -0.274037940288 TCL: Center of mass = 10.5073263566 -0.43086804956 -1.75395375472 TCL: atom 1: phi = -0.274835586165 TCL: Center of mass = 10.5100596895 -0.431140640515 -1.75411931452 TCL: atom 1: phi = -0.275811819368 TCL: Center of mass = 10.5128008856 -0.431408407177 -1.75427932844 TCL: atom 1: phi = -0.276635343172 TCL: Center of mass = 10.5155436238 -0.431673337612 -1.75444770476 TCL: atom 1: phi = -0.277627771751 TCL: Center of mass = 10.5182789886 -0.431953078987 -1.75460962078 TCL: atom 1: phi = -0.278360954145 TCL: Center of mass = 10.5210226912 -0.432221799419 -1.75477472378 TCL: atom 1: phi = -0.279125870017 TCL: Center of mass = 10.5237631582 -0.432482448232 -1.75495090179 TCL: atom 1: phi = -0.279625559749 TCL: Center of mass = 10.5264909975 -0.432743670602 -1.75513415125 TCL: atom 1: phi = -0.280116106632 TCL: Center of mass = 10.5292165729 -0.433009235683 -1.75531684478 TCL: atom 1: phi = -0.280327407648 TCL: Center of mass = 10.5319506928 -0.433277137529 -1.75549965115 TCL: atom 1: phi = -0.280487812533 TCL: Center of mass = 10.5346812951 -0.433553602661 -1.75566707997 TCL: atom 1: phi = -0.280354463954 TCL: Center of mass = 10.5374128986 -0.433817067586 -1.75583970372 TCL: atom 1: phi = -0.280230648661 TCL: Center of mass = 10.5401425055 -0.434077349328 -1.75600608365 TCL: atom 1: phi = -0.279908692006 TCL: Center of mass = 10.542873823 -0.434332461692 -1.75618306823 TCL: atom 1: phi = -0.279565043313 TCL: Center of mass = 10.5456084384 -0.434586034408 -1.75635426811 TCL: atom 1: phi = -0.27897428016 TCL: Center of mass = 10.5483355477 -0.434834724277 -1.75653157344 TCL: atom 1: phi = -0.278333242664 TCL: Center of mass = 10.5510701432 -0.435094689832 -1.75671609096 TCL: atom 1: phi = -0.277395696508 TCL: Center of mass = 10.5538065109 -0.43536448947 -1.75690195421 TCL: atom 1: phi = -0.276527094781 TCL: Center of mass = 10.5565405143 -0.435634402985 -1.75708080633 TCL: atom 1: phi = -0.275500573258 TCL: Center of mass = 10.5592634396 -0.435898709366 -1.7572664363 TCL: atom 1: phi = -0.274693491758 TCL: Center of mass = 10.561991418 -0.436142680962 -1.75744220203 TCL: atom 1: phi = -0.273833080046 TCL: Center of mass = 10.564721945 -0.436392193785 -1.75762372248 TCL: atom 1: phi = -0.273263831222 TCL: Center of mass = 10.5674513302 -0.436649635763 -1.75781139161 TCL: atom 1: phi = -0.27260487569 TCL: Center of mass = 10.5701840342 -0.436892645645 -1.75800455948 TCL: atom 1: phi = -0.272169341041 TCL: Center of mass = 10.5729076469 -0.437127634113 -1.75819597837 TCL: atom 1: phi = -0.271577569679 TCL: Center of mass = 10.5756205186 -0.437359205795 -1.75836841016 TCL: atom 1: phi = -0.271193725124 TCL: Center of mass = 10.5783221042 -0.43758902819 -1.75854717055 TCL: atom 1: phi = -0.270554611106 TCL: Center of mass = 10.5810276516 -0.437816210861 -1.75872528992 TCL: atom 1: phi = -0.270126506923 TCL: Center of mass = 10.5837325968 -0.438048450945 -1.75889214949 TCL: atom 1: phi = -0.269521197056 TCL: Center of mass = 10.586436948 -0.43827918572 -1.75906013847 TCL: atom 1: phi = -0.269160295466 TCL: Center of mass = 10.5891416586 -0.438517409958 -1.75922739332 TCL: atom 1: phi = -0.268631419132 TCL: Center of mass = 10.5918510934 -0.438763970369 -1.75939706607 TCL: atom 1: phi = -0.268480917178 TCL: Center of mass = 10.5945647272 -0.439011988142 -1.75956229897 TCL: atom 1: phi = -0.268180309689 TCL: Center of mass = 10.59727261 -0.439259973013 -1.75973075487 TCL: atom 1: phi = -0.268217542402 TCL: Center of mass = 10.5999748935 -0.43951542332 -1.75990149559 TCL: atom 1: phi = -0.268071613869 TCL: Center of mass = 10.6026860481 -0.43979204647 -1.7600612721 TCL: atom 1: phi = -0.26822484625 TCL: Center of mass = 10.6054053017 -0.440072415028 -1.76023052769 TCL: atom 1: phi = -0.268086232595 TCL: Center of mass = 10.6081212528 -0.440357083752 -1.76041236245 TCL: atom 1: phi = -0.268180088196 TCL: Center of mass = 10.6108232334 -0.440651356202 -1.76059459165 TCL: atom 1: phi = -0.268007234551 TCL: Center of mass = 10.6135255853 -0.440953831448 -1.76077456447 TCL: atom 1: phi = -0.268142173246 TCL: Center of mass = 10.6162277779 -0.441252063208 -1.76094873165 TCL: atom 1: phi = -0.268084868107 TCL: Center of mass = 10.6189407105 -0.441541990417 -1.7611324295 TCL: atom 1: phi = -0.2683653649 TCL: Center of mass = 10.6216552542 -0.441835180455 -1.7613127365 TCL: atom 1: phi = -0.268458409841 TCL: Center of mass = 10.6243601207 -0.442132773673 -1.76149314815 TCL: atom 1: phi = -0.268883530944 TCL: Center of mass = 10.6270746275 -0.442443947601 -1.76167226904 TCL: atom 1: phi = -0.269044392047 TCL: Center of mass = 10.6297873281 -0.442759887759 -1.76186309578 TCL: atom 1: phi = -0.269390195998 TCL: Center of mass = 10.6324985049 -0.44307625528 -1.76205162974 TCL: atom 1: phi = -0.269417238713 TCL: Center of mass = 10.6352059903 -0.443382359934 -1.76224726164 TCL: atom 1: phi = -0.269528416211 TCL: Center of mass = 10.6379189252 -0.443695281846 -1.7624475103 TCL: atom 1: phi = -0.2694088551 TCL: Center of mass = 10.640638729 -0.444003485861 -1.76266868522 TCL: atom 1: phi = -0.269452441828 TCL: Center of mass = 10.6433476548 -0.444312525347 -1.76288608891 TCL: atom 1: phi = -0.269253475413 TCL: Center of mass = 10.6460511396 -0.444615509203 -1.76310079652 TCL: atom 1: phi = -0.269262306544 TCL: Center of mass = 10.648755799 -0.444911331715 -1.76330075396 TCL: atom 1: phi = -0.269026608639 TCL: Center of mass = 10.6514562313 -0.445199404192 -1.76350536614 TCL: atom 1: phi = -0.268976133085 TCL: Center of mass = 10.6541570824 -0.445487611707 -1.76371111267 TCL: atom 1: phi = -0.268685089549 TCL: Center of mass = 10.6568630581 -0.445754566251 -1.76390286988 TCL: atom 1: phi = -0.268550292791 TCL: Center of mass = 10.6595671678 -0.446023146427 -1.76409140957 TCL: atom 1: phi = -0.268140060805 TCL: Center of mass = 10.6622670358 -0.44630302066 -1.76428008359 TCL: atom 1: phi = -0.267883704309 TCL: Center of mass = 10.6649567654 -0.446588014037 -1.76447521385 TCL: atom 1: phi = -0.267405855955 TCL: Center of mass = 10.6676583302 -0.446866829731 -1.7646662705 TCL: atom 1: phi = -0.267154664966 TCL: Center of mass = 10.670362475 -0.447143101829 -1.76485176202 TCL: atom 1: phi = -0.266745309366 TCL: Center of mass = 10.6730682848 -0.447418413397 -1.76503614988 TCL: atom 1: phi = -0.266601949511 TCL: Center of mass = 10.6757791772 -0.447700372157 -1.76522468256 TCL: atom 1: phi = -0.266365321854 TCL: Center of mass = 10.6784759318 -0.447962501075 -1.76541435821 TCL: atom 1: phi = -0.266474510186 TCL: Center of mass = 10.6811735486 -0.448221752075 -1.76559076753 TCL: atom 1: phi = -0.266485938943 TCL: Center of mass = 10.6838796884 -0.448477533782 -1.76577185265 TCL: atom 1: phi = -0.266762384983 TCL: Center of mass = 10.6865943335 -0.448729489352 -1.7659451738 TCL: atom 1: phi = -0.266895220261 TCL: Center of mass = 10.6893085178 -0.448977013891 -1.76611422722 TCL: atom 1: phi = -0.267229982177 TCL: Center of mass = 10.6920416267 -0.44922113839 -1.76628778152 TCL: atom 1: phi = -0.267411998691 TCL: Center of mass = 10.6947715309 -0.449476073147 -1.7664628784 TCL: atom 1: phi = -0.267771993867 TCL: Center of mass = 10.6974958861 -0.449725722671 -1.76663416296 TCL: atom 1: phi = -0.267986475429 TCL: Center of mass = 10.7002264402 -0.449980405174 -1.76681168216 TCL: atom 1: phi = -0.268425736442 TCL: Center of mass = 10.7029547857 -0.450232442152 -1.76700010902 TCL: atom 1: phi = -0.268750196095 TCL: Center of mass = 10.705671391 -0.450471665609 -1.7671879639 TCL: atom 1: phi = -0.269237494248 TCL: Center of mass = 10.708397571 -0.450719555603 -1.76737190097 TCL: atom 1: phi = -0.269540472579 TCL: Center of mass = 10.7111391735 -0.450972803401 -1.76755704993 TCL: atom 1: phi = -0.269920600134 TCL: Center of mass = 10.7138828557 -0.45123763016 -1.76773477366 TCL: atom 1: phi = -0.269997731673 TCL: Center of mass = 10.7166339489 -0.451498196204 -1.76789657922 TCL: atom 1: phi = -0.270093853299 TCL: Center of mass = 10.7193807122 -0.451765500994 -1.76804733443 TCL: atom 1: phi = -0.269907494637 TCL: Center of mass = 10.7221359312 -0.452041408345 -1.7682024341 TCL: atom 1: phi = -0.269755194867 TCL: Center of mass = 10.7248863462 -0.452314155483 -1.76835203958 TCL: atom 1: phi = -0.269377136175 TCL: Center of mass = 10.7276423828 -0.452593447613 -1.76851358459 TCL: atom 1: phi = -0.269084424754 TCL: Center of mass = 10.7303892644 -0.452866149841 -1.76868565566 TCL: atom 1: phi = -0.268645097005 TCL: Center of mass = 10.7331308848 -0.453148594607 -1.76885885215 TCL: atom 1: phi = -0.268350427627 TCL: Center of mass = 10.7358655349 -0.453428665433 -1.76902411255 TCL: atom 1: phi = -0.267815578482 TCL: Center of mass = 10.7385977228 -0.453707306103 -1.76919290484 TCL: atom 1: phi = -0.267407311753 TCL: Center of mass = 10.741338268 -0.453990997523 -1.76935418001 TCL: atom 1: phi = -0.266768297799 TCL: Center of mass = 10.7440767676 -0.454269642271 -1.76951782239 TCL: atom 1: phi = -0.266262926966 TCL: Center of mass = 10.7468251337 -0.454541583406 -1.76967680208 TCL: atom 1: phi = -0.265600642176 TCL: Center of mass = 10.7495772338 -0.454804259371 -1.76982212305 TCL: atom 1: phi = -0.265084794605 TCL: Center of mass = 10.7523166789 -0.455080851484 -1.76995757099 TCL: atom 1: phi = -0.264434076437 TCL: Center of mass = 10.7550528112 -0.455357653827 -1.77008694281 TCL: atom 1: phi = -0.264035784685 TCL: Center of mass = 10.7577858895 -0.455625727791 -1.77021758622 TCL: atom 1: phi = -0.26347332561 TCL: Center of mass = 10.7605257361 -0.455901133401 -1.7703597686 TCL: atom 1: phi = -0.263149638211 TCL: Center of mass = 10.763267977 -0.45618340803 -1.7704887672 TCL: atom 1: phi = -0.262701409311 TIMING: 4700 CPU: 797.836, 0.170604/step Wall: 976.255, 0.208775/step, 0.887293 hours remaining, 20429 kB of memory in use. ENERGY: 4700 413.2747 676.9291 409.2802 34.7683 -2751.3148 -231.0804 0.0000 0.0000 1132.9785 -315.1643 308.7683 -306.2265 -306.9327 306.5430 548.7126 223.1591 64000.0000 214.2936 214.9060 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700 WRITING COORDINATES TO DCD FILE AT STEP 4700 WRITING COORDINATES TO RESTART FILE AT STEP 4700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 10.7660124941 -0.456461083675 -1.77062085281 TCL: atom 1: phi = -0.262507732608 TCL: Center of mass = 10.7687506315 -0.456732521525 -1.77075128426 TCL: atom 1: phi = -0.262116836872 TCL: Center of mass = 10.7714707317 -0.456997035147 -1.77087248534 TCL: atom 1: phi = -0.261878857336 TCL: Center of mass = 10.7741862264 -0.457255245372 -1.77100385254 TCL: atom 1: phi = -0.261461140454 TCL: Center of mass = 10.7768959411 -0.457515890981 -1.77113300229 TCL: atom 1: phi = -0.261286955969 TCL: Center of mass = 10.7796103342 -0.457777495223 -1.77127524999 TCL: atom 1: phi = -0.260949401326 TCL: Center of mass = 10.7823263081 -0.458044531774 -1.7714137309 TCL: atom 1: phi = -0.260884719243 TCL: Center of mass = 10.7850418381 -0.458304126202 -1.77154438079 TCL: atom 1: phi = -0.260722875796 TCL: Center of mass = 10.787755882 -0.45855624498 -1.77168278057 TCL: atom 1: phi = -0.260893997416 TCL: Center of mass = 10.7904613311 -0.458808804362 -1.77181916909 TCL: atom 1: phi = -0.260934066547 TCL: Center of mass = 10.7931684546 -0.459051760376 -1.77194574115 TCL: atom 1: phi = -0.261245898277 TCL: Center of mass = 10.7958780047 -0.459301109067 -1.77206813128 TCL: atom 1: phi = -0.261378305108 TCL: Center of mass = 10.7985871617 -0.459543189204 -1.77219120559 TCL: atom 1: phi = -0.261768648308 TCL: Center of mass = 10.8012898128 -0.459777084916 -1.77231395846 TCL: atom 1: phi = -0.261950843386 TCL: Center of mass = 10.8039880574 -0.460000754155 -1.77244231812 TCL: atom 1: phi = -0.262381638042 TCL: Center of mass = 10.8066888777 -0.460217352262 -1.77258334717 TCL: atom 1: phi = -0.262669392689 TCL: Center of mass = 10.8093846375 -0.46042966402 -1.77272283383 TCL: atom 1: phi = -0.263224227066 TCL: Center of mass = 10.8120947887 -0.460630110286 -1.77286665436 TCL: atom 1: phi = -0.263647059412 TCL: Center of mass = 10.8148066774 -0.46082897891 -1.77301829297 TCL: atom 1: phi = -0.264286565751 TCL: Center of mass = 10.8175161541 -0.461016937553 -1.7731726531 TCL: atom 1: phi = -0.264724320025 TCL: Center of mass = 10.8202150803 -0.461201892058 -1.77332836628 TCL: atom 1: phi = -0.265347387286 TCL: Center of mass = 10.8229185157 -0.461392641963 -1.773487073 TCL: atom 1: phi = -0.26568958455 TCL: Center of mass = 10.825627739 -0.461570328759 -1.77363031348 TCL: atom 1: phi = -0.266071108226 TCL: Center of mass = 10.8283415493 -0.46174577799 -1.77377317802 TCL: atom 1: phi = -0.266147737446 TCL: Center of mass = 10.8310635045 -0.461927879314 -1.77392650058 TCL: atom 1: phi = -0.266279435329 TCL: Center of mass = 10.8337966887 -0.462095532723 -1.77407704939 TCL: atom 1: phi = -0.266113486594 TCL: Center of mass = 10.8365302214 -0.462264752749 -1.77423126782 TCL: atom 1: phi = -0.266012880533 TCL: Center of mass = 10.8392670777 -0.462438490465 -1.77439531487 TCL: atom 1: phi = -0.265676826215 TCL: Center of mass = 10.8419921602 -0.462614294356 -1.77455331781 TCL: atom 1: phi = -0.265473915982 TCL: Center of mass = 10.8447239951 -0.462805226981 -1.77470347233 TCL: atom 1: phi = -0.264966113171 TCL: Center of mass = 10.8474660677 -0.463005192798 -1.7748601631 TCL: atom 1: phi = -0.264576445592 TCL: Center of mass = 10.8502110205 -0.463214453535 -1.77502661357 TCL: atom 1: phi = -0.263893668894 TCL: Center of mass = 10.8529513334 -0.463420601546 -1.77519329813 TCL: atom 1: phi = -0.263375714745 TCL: Center of mass = 10.8556873623 -0.463620635573 -1.77535046618 TCL: atom 1: phi = -0.262609204675 TCL: Center of mass = 10.8584302911 -0.463830711646 -1.77551579239 TCL: atom 1: phi = -0.262072586894 TCL: Center of mass = 10.8611739613 -0.464042423608 -1.77568820254 TCL: atom 1: phi = -0.261390398344 TCL: Center of mass = 10.8639058451 -0.464272491313 -1.77585777945 TCL: atom 1: phi = -0.261036807811 TCL: Center of mass = 10.8666450858 -0.464498243837 -1.77602874083 TCL: atom 1: phi = -0.26057365245 TCL: Center of mass = 10.869383408 -0.464725111518 -1.77620675935 TCL: atom 1: phi = -0.260424811174 TCL: Center of mass = 10.8721259739 -0.464946005123 -1.77638589276 TCL: atom 1: phi = -0.260081732114 TCL: Center of mass = 10.8748505294 -0.46516323971 -1.77655264496 TCL: atom 1: phi = -0.259995066183 TCL: Center of mass = 10.8775785624 -0.465382141299 -1.77672976661 TCL: atom 1: phi = -0.259650639755 TCL: Center of mass = 10.8803138677 -0.465605687879 -1.77690620595 TCL: atom 1: phi = -0.259493527701 TCL: Center of mass = 10.8830448773 -0.465830413983 -1.77708662205 TCL: atom 1: phi = -0.259018210341 TCL: Center of mass = 10.8857697558 -0.466060951839 -1.7772798393 TCL: atom 1: phi = -0.258712942865 TCL: Center of mass = 10.8884873022 -0.466294413403 -1.77747083488 TCL: atom 1: phi = -0.258079101445 TCL: Center of mass = 10.8912027697 -0.466523344563 -1.77764875572 TCL: atom 1: phi = -0.257602179143 TCL: Center of mass = 10.8939163996 -0.466755617061 -1.77782201526 TCL: atom 1: phi = -0.256851313285 TCL: Center of mass = 10.8966325006 -0.466986257424 -1.77798484709 TCL: atom 1: phi = -0.25628563433 TCL: Center of mass = 10.899336936 -0.467211981361 -1.77812793464 TCL: atom 1: phi = -0.255406026385 TCL: Center of mass = 10.9020448402 -0.46743416939 -1.77825974086 TCL: atom 1: phi = -0.254702616768 TCL: Center of mass = 10.9047528266 -0.467651543677 -1.77839304008 TCL: atom 1: phi = -0.253677809657 TCL: Center of mass = 10.9074559995 -0.467868496062 -1.7785227496 TCL: atom 1: phi = -0.252832806956 TCL: Center of mass = 10.910171971 -0.468076752894 -1.77865985746 TCL: atom 1: phi = -0.251685146028 TCL: Center of mass = 10.9128897809 -0.468286229762 -1.778799551 TCL: atom 1: phi = -0.250830940003 TCL: Center of mass = 10.9156100175 -0.468497444446 -1.77894330199 TCL: atom 1: phi = -0.249814587604 TCL: Center of mass = 10.9183163171 -0.468708899689 -1.77909740025 TCL: atom 1: phi = -0.249204164193 TCL: Center of mass = 10.9210324711 -0.468928073279 -1.77927108333 TCL: atom 1: phi = -0.24842861175 TCL: Center of mass = 10.9237517872 -0.469156939736 -1.77944802703 TCL: atom 1: phi = -0.248107514278 TCL: Center of mass = 10.9264738598 -0.469379084413 -1.77961874449 TCL: atom 1: phi = -0.247655211023 TCL: Center of mass = 10.9292039338 -0.469587779343 -1.77977897552 TCL: atom 1: phi = -0.247640312358 TCL: Center of mass = 10.9319172946 -0.469800933376 -1.77993740231 TCL: atom 1: phi = -0.247421565449 TCL: Center of mass = 10.9346236708 -0.470015740988 -1.780090066 TCL: atom 1: phi = -0.247520691489 TCL: Center of mass = 10.9373322541 -0.470233989412 -1.78024140485 TCL: atom 1: phi = -0.247320773694 TCL: Center of mass = 10.9400473884 -0.470445673742 -1.78040131976 TCL: atom 1: phi = -0.247445035445 TCL: Center of mass = 10.9427591745 -0.470664800038 -1.7805752865 TCL: atom 1: phi = -0.247347645039 TCL: Center of mass = 10.9454690493 -0.470893227161 -1.78074218425 TCL: atom 1: phi = -0.247632643404 TCL: Center of mass = 10.948181008 -0.471118998598 -1.7809090278 TCL: atom 1: phi = -0.247753989012 TCL: Center of mass = 10.9508910065 -0.471348054781 -1.78107752982 TCL: atom 1: phi = -0.248287671852 TCL: Center of mass = 10.9536055703 -0.471570436453 -1.78124391661 TCL: atom 1: phi = -0.248569218235 TCL: Center of mass = 10.9563160818 -0.471784885874 -1.78140594753 TCL: atom 1: phi = -0.249110489883 TCL: Center of mass = 10.9590218316 -0.472008629524 -1.78155807681 TCL: atom 1: phi = -0.249312185959 TCL: Center of mass = 10.9617289251 -0.472234084648 -1.78170702409 TCL: atom 1: phi = -0.249705670883 TCL: Center of mass = 10.9644388063 -0.472454175728 -1.78184731834 TCL: atom 1: phi = -0.24976090816 TCL: Center of mass = 10.9671554728 -0.472675964092 -1.78198376057 TCL: atom 1: phi = -0.249996037863 TCL: Center of mass = 10.9698648114 -0.472899154448 -1.78209806292 TCL: atom 1: phi = -0.249958113229 TCL: Center of mass = 10.9725559906 -0.473132426412 -1.78222047277 TCL: atom 1: phi = -0.250315036095 TCL: Center of mass = 10.9752518283 -0.473370722638 -1.78234854967 TCL: atom 1: phi = -0.250526815053 TCL: Center of mass = 10.9779372782 -0.473616966104 -1.7824748371 TCL: atom 1: phi = -0.251147705824 TCL: Center of mass = 10.9806177576 -0.47386744758 -1.78260418072 TCL: atom 1: phi = -0.251625133483 TCL: Center of mass = 10.9833006353 -0.474101340403 -1.78273061512 TCL: atom 1: phi = -0.25237588578 TCL: Center of mass = 10.9859893441 -0.474340597631 -1.78284752998 TCL: atom 1: phi = -0.252846520686 TCL: Center of mass = 10.9886797327 -0.474573933526 -1.78296200772 TCL: atom 1: phi = -0.253489502708 TCL: Center of mass = 10.9913804268 -0.474811730866 -1.78307462638 TCL: atom 1: phi = -0.253757899558 TCL: Center of mass = 10.9940764584 -0.475046290006 -1.78318803206 TCL: atom 1: phi = -0.254189251301 TCL: Center of mass = 10.9967698832 -0.475273898295 -1.78330371479 TCL: atom 1: phi = -0.254277376727 TCL: Center of mass = 10.9994667849 -0.47549664315 -1.78341307113 TCL: atom 1: phi = -0.254506916324 TCL: Center of mass = 11.0021754899 -0.475719695802 -1.78353298846 TCL: atom 1: phi = -0.254501507731 TCL: Center of mass = 11.0048827251 -0.475946558972 -1.78364995844 TCL: atom 1: phi = -0.254722960428 TCL: Center of mass = 11.0075931515 -0.476190804936 -1.78377385314 TCL: atom 1: phi = -0.254679988591 TCL: Center of mass = 11.0103086079 -0.47644002388 -1.78388787688 TCL: atom 1: phi = -0.254723699252 TCL: Center of mass = 11.0130130302 -0.47668644121 -1.78400065106 TCL: atom 1: phi = -0.254369023311 TCL: Center of mass = 11.015704304 -0.476931016995 -1.78411532591 TCL: atom 1: phi = -0.254030640671 TCL: Center of mass = 11.018387349 -0.477183191856 -1.78424333473 TCL: atom 1: phi = -0.253293706347 TCL: Center of mass = 11.0210696383 -0.477431319519 -1.784362296 TCL: atom 1: phi = -0.252576939677 TCL: Center of mass = 11.0237569556 -0.477684067442 -1.7844751428 TCL: atom 1: phi = -0.251561410827 TCL: Center of mass = 11.0264551309 -0.477921259645 -1.78459781308 TCL: atom 1: phi = -0.250683966593 TCL: Center of mass = 11.029163595 -0.478157416291 -1.78470964056 TCL: atom 1: phi = -0.2496541076 TCL: Center of mass = 11.0318679281 -0.478390599004 -1.7848208461 TCL: atom 1: phi = -0.248912414526 TCL: Center of mass = 11.0345757423 -0.478621938612 -1.78493447033 TCL: atom 1: phi = -0.248064882311 TIMING: 4800 CPU: 814.903, 0.170674/step Wall: 997.164, 0.20909/step, 0.882823 hours remaining, 20468 kB of memory in use. ENERGY: 4800 403.0036 686.7781 396.4308 51.2575 -2771.3235 -212.7864 0.0000 0.0000 1127.6444 -318.9955 307.3146 -310.1205 -310.5442 305.6151 646.6398 238.6591 64000.0000 178.2896 176.8086 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800 WRITING COORDINATES TO DCD FILE AT STEP 4800 WRITING COORDINATES TO RESTART FILE AT STEP 4800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 11.037285727 -0.478852515214 -1.78505274335 TCL: atom 1: phi = -0.247517333825 TCL: Center of mass = 11.0399886973 -0.479084279651 -1.7851729046 TCL: atom 1: phi = -0.246829874194 TCL: Center of mass = 11.0426939392 -0.479295638259 -1.7853012174 TCL: atom 1: phi = -0.246320738649 TCL: Center of mass = 11.0453988878 -0.479507981509 -1.7854491609 TCL: atom 1: phi = -0.24554279242 TCL: Center of mass = 11.0481069959 -0.479730243342 -1.78559485145 TCL: atom 1: phi = -0.244864467423 TCL: Center of mass = 11.050816583 -0.479953297445 -1.78573529701 TCL: atom 1: phi = -0.243839959059 TCL: Center of mass = 11.0535228625 -0.480174683253 -1.78587090597 TCL: atom 1: phi = -0.243047067359 TCL: Center of mass = 11.056227035 -0.480400099244 -1.78600309933 TCL: atom 1: phi = -0.24208432246 TCL: Center of mass = 11.0589312156 -0.480629720618 -1.78613934007 TCL: atom 1: phi = -0.24142920859 TCL: Center of mass = 11.0616289939 -0.480862146093 -1.78628362389 TCL: atom 1: phi = -0.240637306928 TCL: Center of mass = 11.0643330396 -0.48109443009 -1.78642403221 TCL: atom 1: phi = -0.24015263154 TCL: Center of mass = 11.0670354699 -0.481335011387 -1.78656690953 TCL: atom 1: phi = -0.239474335688 TCL: Center of mass = 11.0697307647 -0.481561957283 -1.78670207656 TCL: atom 1: phi = -0.23896341636 TCL: Center of mass = 11.0724142906 -0.481797155258 -1.78684115786 TCL: atom 1: phi = -0.238093574817 TCL: Center of mass = 11.075105618 -0.482023068212 -1.78697224485 TCL: atom 1: phi = -0.237316670969 TCL: Center of mass = 11.0777978789 -0.482253361837 -1.78710218625 TCL: atom 1: phi = -0.23629790606 TCL: Center of mass = 11.080488872 -0.482480883397 -1.78723710085 TCL: atom 1: phi = -0.235512763204 TCL: Center of mass = 11.0831866822 -0.482700182311 -1.78735976193 TCL: atom 1: phi = -0.234529029834 TCL: Center of mass = 11.0858873222 -0.482924227608 -1.78749059754 TCL: atom 1: phi = -0.233937830739 TCL: Center of mass = 11.0885937212 -0.483156415974 -1.78762869422 TCL: atom 1: phi = -0.233273660777 TCL: Center of mass = 11.0912911502 -0.483384692489 -1.78776918212 TCL: atom 1: phi = -0.233046468018 TCL: Center of mass = 11.0939791552 -0.483611781812 -1.78790198708 TCL: atom 1: phi = -0.232650558976 TCL: Center of mass = 11.0966632215 -0.483839395723 -1.7880341217 TCL: atom 1: phi = -0.232607605098 TCL: Center of mass = 11.0993456054 -0.484057138595 -1.78816210874 TCL: atom 1: phi = -0.232282087675 TCL: Center of mass = 11.1020197118 -0.484272384908 -1.78829231474 TCL: atom 1: phi = -0.23223039871 TCL: Center of mass = 11.1047093569 -0.484488332157 -1.78843549309 TCL: atom 1: phi = -0.231891504417 TCL: Center of mass = 11.107402988 -0.484693098288 -1.7885811378 TCL: atom 1: phi = -0.231796232216 TCL: Center of mass = 11.110093269 -0.484894068818 -1.78871802008 TCL: atom 1: phi = -0.231486836618 TCL: Center of mass = 11.1127809343 -0.485091389742 -1.78884233379 TCL: atom 1: phi = -0.231605444526 TCL: Center of mass = 11.1154842662 -0.485290035371 -1.78897331667 TCL: atom 1: phi = -0.231633050062 TCL: Center of mass = 11.1181871901 -0.485483946583 -1.78911679084 TCL: atom 1: phi = -0.232080312638 TCL: Center of mass = 11.1208811062 -0.485686624375 -1.78925338937 TCL: atom 1: phi = -0.232370435363 TCL: Center of mass = 11.1235766272 -0.485888327085 -1.78938392988 TCL: atom 1: phi = -0.23299924832 TCL: Center of mass = 11.1262676595 -0.486096913013 -1.78951064455 TCL: atom 1: phi = -0.233340601314 TCL: Center of mass = 11.1289609112 -0.486309727206 -1.78963482813 TCL: atom 1: phi = -0.233863788083 TCL: Center of mass = 11.1316478103 -0.486521284277 -1.78977036244 TCL: atom 1: phi = -0.234037847946 TCL: Center of mass = 11.1343338312 -0.486729027498 -1.78989172282 TCL: atom 1: phi = -0.234351014953 TCL: Center of mass = 11.1370212858 -0.48693235743 -1.79000754757 TCL: atom 1: phi = -0.2344457452 TCL: Center of mass = 11.1397050914 -0.487134019642 -1.79012422876 TCL: atom 1: phi = -0.234776509656 TCL: Center of mass = 11.1423826867 -0.487344052821 -1.79024339384 TCL: atom 1: phi = -0.235033005157 TCL: Center of mass = 11.145060281 -0.487549653579 -1.79036764077 TCL: atom 1: phi = -0.2356392724 TCL: Center of mass = 11.147748597 -0.487745343255 -1.79047546531 TCL: atom 1: phi = -0.236116427518 TCL: Center of mass = 11.1504227793 -0.487932590832 -1.79057258417 TCL: atom 1: phi = -0.236835004672 TCL: Center of mass = 11.1530940573 -0.488113819973 -1.79067775433 TCL: atom 1: phi = -0.237303529464 TCL: Center of mass = 11.1557620643 -0.488292035262 -1.79078213677 TCL: atom 1: phi = -0.237912534071 TCL: Center of mass = 11.1584295576 -0.488468396947 -1.7908857983 TCL: atom 1: phi = -0.238251827949 TCL: Center of mass = 11.1610966768 -0.488646420823 -1.79099179008 TCL: atom 1: phi = -0.23864071279 TCL: Center of mass = 11.1637608275 -0.488827333909 -1.79109318993 TCL: atom 1: phi = -0.238784928245 TCL: Center of mass = 11.166422837 -0.489014782211 -1.79121327815 TCL: atom 1: phi = -0.239081839778 TCL: Center of mass = 11.1690912506 -0.489199929441 -1.79134055819 TCL: atom 1: phi = -0.239297525775 TCL: Center of mass = 11.1717547532 -0.489380742167 -1.79147569423 TCL: atom 1: phi = -0.239744501903 TCL: Center of mass = 11.1744048415 -0.489553584361 -1.79161490932 TCL: atom 1: phi = -0.240097096456 TCL: Center of mass = 11.1770476357 -0.489729900223 -1.79175049234 TCL: atom 1: phi = -0.240605546363 TCL: Center of mass = 11.179695621 -0.489893462101 -1.79188513 TCL: atom 1: phi = -0.240925013247 TCL: Center of mass = 11.1823510965 -0.490056886806 -1.79202575639 TCL: atom 1: phi = -0.241210300479 TCL: Center of mass = 11.1850132146 -0.490227234864 -1.79215404288 TCL: atom 1: phi = -0.24122903396 TCL: Center of mass = 11.1876622852 -0.490404137881 -1.79228465065 TCL: atom 1: phi = -0.241239551068 TCL: Center of mass = 11.1902986459 -0.490580868523 -1.79243178334 TCL: atom 1: phi = -0.24102920643 TCL: Center of mass = 11.1929282823 -0.490763204618 -1.79258116355 TCL: atom 1: phi = -0.240946265508 TCL: Center of mass = 11.1955639308 -0.490949899078 -1.79273285491 TCL: atom 1: phi = -0.240789450105 TCL: Center of mass = 11.1981821537 -0.491142993565 -1.79288993061 TCL: atom 1: phi = -0.240864299603 TCL: Center of mass = 11.2008004583 -0.491344616421 -1.79304999945 TCL: atom 1: phi = -0.240930813126 TCL: Center of mass = 11.2034196877 -0.49154743229 -1.79320963996 TCL: atom 1: phi = -0.241265883212 TCL: Center of mass = 11.2060227085 -0.491755694027 -1.79336821535 TCL: atom 1: phi = -0.241514163365 TCL: Center of mass = 11.2086393062 -0.491958308744 -1.79353732221 TCL: atom 1: phi = -0.241856187522 TCL: Center of mass = 11.2112662489 -0.492165891344 -1.79370276402 TCL: atom 1: phi = -0.241968127428 TCL: Center of mass = 11.2139053424 -0.492384732204 -1.79386323382 TCL: atom 1: phi = -0.242163326668 TCL: Center of mass = 11.2165438189 -0.492604227265 -1.79402435669 TCL: atom 1: phi = -0.242074545857 TCL: Center of mass = 11.2191894898 -0.492819583423 -1.79418746409 TCL: atom 1: phi = -0.241994908566 TCL: Center of mass = 11.221832784 -0.49304145064 -1.79434996081 TCL: atom 1: phi = -0.241747147376 TCL: Center of mass = 11.2244790033 -0.493262687157 -1.79450322493 TCL: atom 1: phi = -0.24167130696 TCL: Center of mass = 11.2271319692 -0.493482935834 -1.79465704196 TCL: atom 1: phi = -0.241395497188 TCL: Center of mass = 11.2297818293 -0.493712894924 -1.79481582226 TCL: atom 1: phi = -0.24123841251 TCL: Center of mass = 11.2324413828 -0.493934202929 -1.7949724982 TCL: atom 1: phi = -0.240849116393 TCL: Center of mass = 11.2350909307 -0.494156776096 -1.79511526997 TCL: atom 1: phi = -0.240457413252 TCL: Center of mass = 11.2377479637 -0.494370581926 -1.79524548536 TCL: atom 1: phi = -0.23970380564 TCL: Center of mass = 11.2404099247 -0.494577120967 -1.79537083851 TCL: atom 1: phi = -0.238897563004 TCL: Center of mass = 11.2430793255 -0.494780858438 -1.7954904906 TCL: atom 1: phi = -0.237783724847 TCL: Center of mass = 11.2457416349 -0.494972909116 -1.79561149889 TCL: atom 1: phi = -0.236708772808 TCL: Center of mass = 11.2483964298 -0.495163230638 -1.79573084077 TCL: atom 1: phi = -0.235415093318 TCL: Center of mass = 11.2510580615 -0.495348817173 -1.79585044032 TCL: atom 1: phi = -0.234392350889 TCL: Center of mass = 11.2537013867 -0.49554890894 -1.79598290425 TCL: atom 1: phi = -0.233329249435 TCL: Center of mass = 11.2563343804 -0.495741581583 -1.796114924 TCL: atom 1: phi = -0.232659505283 TCL: Center of mass = 11.2589722981 -0.495928326952 -1.79625455934 TCL: atom 1: phi = -0.231922877308 TCL: Center of mass = 11.261609691 -0.496115369892 -1.79638697844 TCL: atom 1: phi = -0.23149794679 TCL: Center of mass = 11.264250187 -0.496310622499 -1.79653405243 TCL: atom 1: phi = -0.230911730874 TCL: Center of mass = 11.2668874496 -0.496510276774 -1.79668749677 TCL: atom 1: phi = -0.230632233154 TCL: Center of mass = 11.2695131204 -0.49671765513 -1.79684204482 TCL: atom 1: phi = -0.230097313386 TCL: Center of mass = 11.2721313899 -0.496917355021 -1.79698776911 TCL: atom 1: phi = -0.229853153262 TCL: Center of mass = 11.2747544291 -0.497124796542 -1.79712769345 TCL: atom 1: phi = -0.229396313439 TCL: Center of mass = 11.2773745802 -0.497331827118 -1.79726554244 TCL: atom 1: phi = -0.229300839636 TCL: Center of mass = 11.280004219 -0.497540669786 -1.79740539211 TCL: atom 1: phi = -0.229045910904 TCL: Center of mass = 11.2826297538 -0.497760151258 -1.79754881486 TCL: atom 1: phi = -0.229206050701 TCL: Center of mass = 11.2852553674 -0.497969357725 -1.79770587701 TCL: atom 1: phi = -0.229187235978 TCL: Center of mass = 11.2878925074 -0.498176763831 -1.79787619922 TCL: atom 1: phi = -0.229469621857 TCL: Center of mass = 11.2905369936 -0.498391674746 -1.79803674755 TCL: atom 1: phi = -0.229395510376 TCL: Center of mass = 11.293186024 -0.498598095243 -1.79819571402 TCL: atom 1: phi = -0.229537689488 TCL: Center of mass = 11.2958358353 -0.498813774418 -1.79834430185 TCL: atom 1: phi = -0.229314381445 TCL: Center of mass = 11.2984916309 -0.499027136802 -1.79849045573 TCL: atom 1: phi = -0.229358048268 TCL: Center of mass = 11.3011535542 -0.499241717223 -1.79863286239 TCL: atom 1: phi = -0.229225554982 TIMING: 4900 CPU: 831.925, 0.170214/step Wall: 1018.02, 0.208558/step, 0.874786 hours remaining, 20543 kB of memory in use. ENERGY: 4900 391.8598 700.5713 423.2366 48.3533 -2779.6096 -224.3271 0.0000 0.0000 1126.8792 -313.0366 307.1061 -304.6289 -303.7097 305.1486 180.3288 -103.2296 64000.0000 184.6867 185.9666 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900 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 TCL: Center of mass = 11.3038138532 -0.499459290365 -1.79876949412 TCL: atom 1: phi = -0.229521712666 TCL: Center of mass = 11.306477963 -0.499674515908 -1.79890800794 TCL: atom 1: phi = -0.2297021872 TCL: Center of mass = 11.309142754 -0.4999013519 -1.79904547571 TCL: atom 1: phi = -0.230377204799 TCL: Center of mass = 11.311808282 -0.500126259194 -1.79919701608 TCL: atom 1: phi = -0.231049701631 TCL: Center of mass = 11.3144601683 -0.50036419636 -1.79934927124 TCL: atom 1: phi = -0.232153246321 TCL: Center of mass = 11.3171119861 -0.500602953665 -1.79950971988 TCL: atom 1: phi = -0.233141231798 TCL: Center of mass = 11.3197577272 -0.500845488055 -1.79968205859 TCL: atom 1: phi = -0.234457756888 TCL: Center of mass = 11.3224095917 -0.501090876513 -1.79986203971 TCL: atom 1: phi = -0.23556467234 TCL: Center of mass = 11.3250600896 -0.501327075545 -1.80004893169 TCL: atom 1: phi = -0.236893302441 TCL: Center of mass = 11.3277061205 -0.501569646562 -1.80022736705 TCL: atom 1: phi = -0.238029247648 TCL: Center of mass = 11.3303625186 -0.501804077331 -1.80040293893 TCL: atom 1: phi = -0.239337038893 TCL: Center of mass = 11.3330240166 -0.502038804883 -1.80057384252 TCL: atom 1: phi = -0.240350439692 TCL: Center of mass = 11.335675793 -0.502279266627 -1.80074899024 TCL: atom 1: phi = -0.241463090277 TCL: Center of mass = 11.3383202115 -0.502514294512 -1.80094173995 TCL: atom 1: phi = -0.242166652055 TCL: Center of mass = 11.340964275 -0.502752109833 -1.80113574905 TCL: atom 1: phi = -0.242838982962 TCL: Center of mass = 11.3436023134 -0.502994945904 -1.80132730104 TCL: atom 1: phi = -0.243031693127 TCL: Center of mass = 11.3462416741 -0.503240362539 -1.801515539 TCL: atom 1: phi = -0.243172162935 TCL: Center of mass = 11.3488713623 -0.503483935069 -1.80170723374 TCL: atom 1: phi = -0.242888340867 TCL: Center of mass = 11.3514898763 -0.503722021309 -1.80189657071 TCL: atom 1: phi = -0.242604195808 TCL: Center of mass = 11.354116149 -0.503966749527 -1.80208373213 TCL: atom 1: phi = -0.241980700693 TCL: Center of mass = 11.3567346716 -0.504209431398 -1.80227055848 TCL: atom 1: phi = -0.241489239849 TCL: Center of mass = 11.3593580409 -0.504447915785 -1.80245172127 TCL: atom 1: phi = -0.240744236817 TCL: Center of mass = 11.3619818909 -0.504684719205 -1.80261574424 TCL: atom 1: phi = -0.240206414414 TCL: Center of mass = 11.3646010358 -0.504920189842 -1.80277453842 TCL: atom 1: phi = -0.23951939253 TCL: Center of mass = 11.3672147808 -0.505155574772 -1.8029268237 TCL: atom 1: phi = -0.239197821562 TCL: Center of mass = 11.3698144054 -0.505379928602 -1.80306857574 TCL: atom 1: phi = -0.238761001622 TCL: Center of mass = 11.3724254594 -0.50561334099 -1.80321332506 TCL: atom 1: phi = -0.238678372308 TCL: Center of mass = 11.3750449887 -0.505842109097 -1.80336030381 TCL: atom 1: phi = -0.23845425915 TCL: Center of mass = 11.3776663624 -0.506080595336 -1.80351454094 TCL: atom 1: phi = -0.23858437937 TCL: Center of mass = 11.3802784308 -0.506316646408 -1.80367061044 TCL: atom 1: phi = -0.238487108858 TCL: Center of mass = 11.382885638 -0.506547542471 -1.80382050899 TCL: atom 1: phi = -0.238666419275 TCL: Center of mass = 11.3854840651 -0.506777783774 -1.80396626897 TCL: atom 1: phi = -0.238561269598 TCL: Center of mass = 11.3880793136 -0.507026653883 -1.80411913147 TCL: atom 1: phi = -0.238634703517 TCL: Center of mass = 11.3906760088 -0.507272894242 -1.80428013506 TCL: atom 1: phi = -0.238359467197 TCL: Center of mass = 11.3932700756 -0.507507111318 -1.80443506742 TCL: atom 1: phi = -0.238258198652 TCL: Center of mass = 11.3958657209 -0.507739145996 -1.80458714777 TCL: atom 1: phi = -0.237789411203 TCL: Center of mass = 11.3984732525 -0.50797346529 -1.80475470506 TCL: atom 1: phi = -0.237535736528 TCL: Center of mass = 11.4010696207 -0.508214364446 -1.80492343216 TCL: atom 1: phi = -0.236921842412 TCL: Center of mass = 11.4036559193 -0.50846568435 -1.80509522355 TCL: atom 1: phi = -0.236595993465 TCL: Center of mass = 11.4062313296 -0.508710541053 -1.80527121928 TCL: atom 1: phi = -0.235916853381 TCL: Center of mass = 11.4087910644 -0.508967618364 -1.80545394301 TCL: atom 1: phi = -0.235577771768 TCL: Center of mass = 11.4113545123 -0.509220214797 -1.80563459844 TCL: atom 1: phi = -0.234990916152 TCL: Center of mass = 11.4139216145 -0.509458887509 -1.80581711956 TCL: atom 1: phi = -0.234883930002 TCL: Center of mass = 11.4164828931 -0.509687653107 -1.80599182813 TCL: atom 1: phi = -0.234650355497 TCL: Center of mass = 11.4190470049 -0.509913095811 -1.80616543899 TCL: atom 1: phi = -0.234980891495 TCL: Center of mass = 11.4216223239 -0.510143161566 -1.80634712048 TCL: atom 1: phi = -0.235277083339 TCL: Center of mass = 11.4242015506 -0.510377912991 -1.80652034985 TCL: atom 1: phi = -0.236136613585 TCL: Center of mass = 11.4267819014 -0.510609639767 -1.80669366663 TCL: atom 1: phi = -0.236967644789 TCL: Center of mass = 11.4293713831 -0.510834343854 -1.80686997677 TCL: atom 1: phi = -0.238308222166 TCL: Center of mass = 11.4319495895 -0.511069349901 -1.80704038944 TCL: atom 1: phi = -0.239537908755 TCL: Center of mass = 11.4345295739 -0.51129449936 -1.80720952127 TCL: atom 1: phi = -0.241025953089 TCL: Center of mass = 11.437101354 -0.511529457415 -1.80738665853 TCL: atom 1: phi = -0.24218903331 TCL: Center of mass = 11.4396665199 -0.511762649289 -1.80755961869 TCL: atom 1: phi = -0.243419960913 TCL: Center of mass = 11.4422314884 -0.511987548605 -1.8077354465 TCL: atom 1: phi = -0.244232776825 TCL: Center of mass = 11.4447999141 -0.512216207185 -1.80791024262 TCL: atom 1: phi = -0.245046101456 TCL: Center of mass = 11.4473692796 -0.512445685904 -1.80809198899 TCL: atom 1: phi = -0.245539838586 TCL: Center of mass = 11.4499452754 -0.512674210086 -1.80826911069 TCL: atom 1: phi = -0.246027088071 TCL: Center of mass = 11.4525172494 -0.51289915908 -1.80844858263 TCL: atom 1: phi = -0.2461839269 TCL: Center of mass = 11.4550799768 -0.513137140857 -1.80862629253 TCL: atom 1: phi = -0.246401878229 TCL: Center of mass = 11.4576441094 -0.513376604394 -1.80881491696 TCL: atom 1: phi = -0.246265600743 TCL: Center of mass = 11.4602043008 -0.513605709644 -1.80899402762 TCL: atom 1: phi = -0.246178961181 TCL: Center of mass = 11.4627610171 -0.513830782206 -1.80916963125 TCL: atom 1: phi = -0.245837375844 TCL: Center of mass = 11.4653149442 -0.514058302032 -1.80935225485 TCL: atom 1: phi = -0.245586033137 TCL: Center of mass = 11.4678779373 -0.51429151684 -1.80953712747 TCL: atom 1: phi = -0.245122771141 TCL: Center of mass = 11.4704431873 -0.514522211771 -1.8097255861 TCL: atom 1: phi = -0.244887561124 TCL: Center of mass = 11.4730016126 -0.514744778175 -1.80992142342 TCL: atom 1: phi = -0.244566466287 TCL: Center of mass = 11.475561582 -0.51495599853 -1.8101149439 TCL: atom 1: phi = -0.24452945872 TCL: Center of mass = 11.4781193906 -0.515161873528 -1.81031128379 TCL: atom 1: phi = -0.244411598824 TCL: Center of mass = 11.4806903181 -0.515388991684 -1.81050864187 TCL: atom 1: phi = -0.244603770798 TCL: Center of mass = 11.4832537787 -0.515618475418 -1.81070311126 TCL: atom 1: phi = -0.244687932935 TCL: Center of mass = 11.4858261779 -0.515846084288 -1.81089753029 TCL: atom 1: phi = -0.244925045434 TCL: Center of mass = 11.488398433 -0.516079641886 -1.81108952358 TCL: atom 1: phi = -0.244910179303 TCL: Center of mass = 11.4909673112 -0.516306799043 -1.81129224297 TCL: atom 1: phi = -0.244915692622 TCL: Center of mass = 11.493542377 -0.516534367499 -1.81149710008 TCL: atom 1: phi = -0.244501829632 TCL: Center of mass = 11.496117842 -0.516757730973 -1.81170381795 TCL: atom 1: phi = -0.244042278527 TCL: Center of mass = 11.4986912915 -0.516988416187 -1.81191711646 TCL: atom 1: phi = -0.243200212713 TCL: Center of mass = 11.5012661283 -0.517212099043 -1.81212560664 TCL: atom 1: phi = -0.242454136739 TCL: Center of mass = 11.5038358548 -0.517448432895 -1.81233540173 TCL: atom 1: phi = -0.241447412748 TCL: Center of mass = 11.5063988832 -0.517677166149 -1.81253955818 TCL: atom 1: phi = -0.240667753542 TCL: Center of mass = 11.5089668792 -0.517902100149 -1.81275595995 TCL: atom 1: phi = -0.23978006588 TCL: Center of mass = 11.5115268575 -0.518121931436 -1.81296911205 TCL: atom 1: phi = -0.23917244508 TCL: Center of mass = 11.514086524 -0.518341927545 -1.81317777326 TCL: atom 1: phi = -0.238429898196 TCL: Center of mass = 11.5166519904 -0.518559176854 -1.81337174428 TCL: atom 1: phi = -0.238011713303 TCL: Center of mass = 11.5192142132 -0.518783100803 -1.81356094371 TCL: atom 1: phi = -0.237411686653 TCL: Center of mass = 11.5217825541 -0.519007079175 -1.8137552113 TCL: atom 1: phi = -0.237187787466 TCL: Center of mass = 11.5243444973 -0.51921377368 -1.81394677627 TCL: atom 1: phi = -0.236854984895 TCL: Center of mass = 11.5269149431 -0.519405078432 -1.81413343122 TCL: atom 1: phi = -0.236994766044 TCL: Center of mass = 11.5294895539 -0.519591439669 -1.81432491841 TCL: atom 1: phi = -0.237135355937 TCL: Center of mass = 11.5320747693 -0.519779193841 -1.81451604944 TCL: atom 1: phi = -0.237789907423 TCL: Center of mass = 11.5346620335 -0.519958616005 -1.81470565894 TCL: atom 1: phi = -0.238378424202 TCL: Center of mass = 11.5372519174 -0.520142737297 -1.81488966331 TCL: atom 1: phi = -0.239304244167 TCL: Center of mass = 11.5398462004 -0.520320865181 -1.81507095604 TCL: atom 1: phi = -0.239973964882 TCL: Center of mass = 11.5424518378 -0.520486305808 -1.81525929168 TCL: atom 1: phi = -0.240774180988 TCL: Center of mass = 11.5450606342 -0.520648862131 -1.81545850358 TCL: atom 1: phi = -0.241090428374 TCL: Center of mass = 11.5476743367 -0.520811708176 -1.81565415871 TCL: atom 1: phi = -0.241386618464 TCL: Center of mass = 11.5502864501 -0.520976930105 -1.81583930896 TCL: atom 1: phi = -0.241212712695 TCL: Center of mass = 11.5528809711 -0.521152226871 -1.81601842481 TCL: atom 1: phi = -0.241040409265 TCL: Center of mass = 11.5554795581 -0.521326258096 -1.81620105695 TCL: atom 1: phi = -0.240528504962 TCL: Center of mass = 11.5580611768 -0.521490244133 -1.81638477381 TCL: atom 1: phi = -0.240200286725 TCL: Center of mass = 11.5606303781 -0.521663446158 -1.81655895331 TCL: atom 1: phi = -0.239609294105 TIMING: 5000 CPU: 848.92, 0.169954/step Wall: 1038.84, 0.208235/step, 0.867647 hours remaining, 20553 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 408.5704 720.8539 434.3388 43.4752 -2794.9713 -226.2559 0.0000 0.0000 1100.9545 -313.0344 300.0409 -304.3158 -304.6495 306.5718 -126.4834 25.9442 64000.0000 77.6904 86.7358 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000 WRITING COORDINATES TO DCD FILE AT STEP 5000 WRITING COORDINATES TO RESTART FILE AT STEP 5000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 11.5631944528 -0.521835927766 -1.81672701403 TCL: atom 1: phi = -0.239284016264 TCL: Center of mass = 11.5657645275 -0.52201974844 -1.81690567508 TCL: atom 1: phi = -0.238748842628 TCL: Center of mass = 11.5683451479 -0.522199605097 -1.81710468679 TCL: atom 1: phi = -0.238419592861 TCL: Center of mass = 11.5709251884 -0.522382565582 -1.81729459037 TCL: atom 1: phi = -0.237831784081 TCL: Center of mass = 11.573503285 -0.522570563833 -1.81747617072 TCL: atom 1: phi = -0.237511011615 TCL: Center of mass = 11.5760857787 -0.522758920358 -1.81766756481 TCL: atom 1: phi = -0.237022448537 TCL: Center of mass = 11.5786610628 -0.522952984333 -1.81785804832 TCL: atom 1: phi = -0.236921459396 TCL: Center of mass = 11.5812413065 -0.523150505524 -1.8180461862 TCL: atom 1: phi = -0.23676799866 TCL: Center of mass = 11.5838229642 -0.523354935823 -1.81823540903 TCL: atom 1: phi = -0.237113055036 TCL: Center of mass = 11.586385365 -0.523562742917 -1.81842842094 TCL: atom 1: phi = -0.237435695862 TCL: Center of mass = 11.5889425425 -0.523769192153 -1.81861528126 TCL: atom 1: phi = -0.238194353353 TCL: Center of mass = 11.5915134105 -0.523983661858 -1.81879782405 TCL: atom 1: phi = -0.238760623588 TCL: Center of mass = 11.5940851126 -0.524196600843 -1.81898888604 TCL: atom 1: phi = -0.239510463301 TCL: Center of mass = 11.59666614 -0.524403057706 -1.81918535533 TCL: atom 1: phi = -0.239876761843 TCL: Center of mass = 11.5992377101 -0.524612457609 -1.81938290379 TCL: atom 1: phi = -0.240266438546 TCL: Center of mass = 11.601818071 -0.524816821059 -1.8195774803 TCL: atom 1: phi = -0.240227461441 TCL: Center of mass = 11.6044061947 -0.525026616421 -1.81977150359 TCL: atom 1: phi = -0.240214456093 TCL: Center of mass = 11.6069919023 -0.525239042419 -1.81996141873 TCL: atom 1: phi = -0.239894900132 TCL: Center of mass = 11.6095849022 -0.525463440884 -1.82014965958 TCL: atom 1: phi = -0.239785935054 TCL: Center of mass = 11.6121825751 -0.525693870088 -1.82033938139 TCL: atom 1: phi = -0.239547090396 TCL: Center of mass = 11.6147940462 -0.525931713869 -1.82053093918 TCL: atom 1: phi = -0.239643593903 TCL: Center of mass = 11.6174071331 -0.526167495949 -1.82071807378 TCL: atom 1: phi = -0.239567292705 TCL: Center of mass = 11.6200110581 -0.526393422737 -1.8209143162 TCL: atom 1: phi = -0.239713448057 TCL: Center of mass = 11.6226203621 -0.526610479589 -1.82110611756 TCL: atom 1: phi = -0.2396388047 TCL: Center of mass = 11.6252295043 -0.526833533795 -1.82130004271 TCL: atom 1: phi = -0.239841130521 TCL: Center of mass = 11.6278320489 -0.527049738882 -1.82149251886 TCL: atom 1: phi = -0.239883276884 TCL: Center of mass = 11.6304330834 -0.527256543859 -1.82168589039 TCL: atom 1: phi = -0.240240062581 TCL: Center of mass = 11.6330349081 -0.527461675352 -1.82187131602 TCL: atom 1: phi = -0.24052099837 TCL: Center of mass = 11.635633881 -0.527655179479 -1.82206544297 TCL: atom 1: phi = -0.241177329011 TCL: Center of mass = 11.6382337575 -0.527838269261 -1.82226577573 TCL: atom 1: phi = -0.24184357388 TCL: Center of mass = 11.6408312815 -0.528022785754 -1.82247194874 TCL: atom 1: phi = -0.242883434194 TCL: Center of mass = 11.6434251117 -0.528202346397 -1.82267692643 TCL: atom 1: phi = -0.243788692015 TCL: Center of mass = 11.6460218648 -0.528378977796 -1.8228856825 TCL: atom 1: phi = -0.244816731588 TCL: Center of mass = 11.6486170762 -0.528554286811 -1.82308458044 TCL: atom 1: phi = -0.245378934237 TCL: Center of mass = 11.6511984438 -0.528736443551 -1.823288788 TCL: atom 1: phi = -0.245814476002 TCL: Center of mass = 11.6537603299 -0.528918643767 -1.82349561864 TCL: atom 1: phi = -0.245748125837 TCL: Center of mass = 11.656330553 -0.529090796725 -1.82370706086 TCL: atom 1: phi = -0.245651404717 TCL: Center of mass = 11.6589053522 -0.529249645292 -1.82391410047 TCL: atom 1: phi = -0.245085159005 TCL: Center of mass = 11.6614925935 -0.529413781913 -1.8241350475 TCL: atom 1: phi = -0.244599823491 TCL: Center of mass = 11.6640784178 -0.529580929562 -1.82436035797 TCL: atom 1: phi = -0.243738326371 TCL: Center of mass = 11.6666656087 -0.52974820657 -1.82459309914 TCL: atom 1: phi = -0.243102813736 TCL: Center of mass = 11.6692693033 -0.529917394704 -1.82483842832 TCL: atom 1: phi = -0.242215617421 TCL: Center of mass = 11.671862809 -0.530088542921 -1.82507199492 TCL: atom 1: phi = -0.241615720038 TCL: Center of mass = 11.6744482401 -0.530258354273 -1.82529922741 TCL: atom 1: phi = -0.240727126812 TCL: Center of mass = 11.677031086 -0.530435238668 -1.8255137509 TCL: atom 1: phi = -0.240103393828 TCL: Center of mass = 11.6796249978 -0.530611137545 -1.82571056793 TCL: atom 1: phi = -0.239186863874 TCL: Center of mass = 11.682211439 -0.530780748203 -1.82591139093 TCL: atom 1: phi = -0.238595376242 TCL: Center of mass = 11.6848039264 -0.530943513282 -1.82611134868 TCL: atom 1: phi = -0.237798277871 TCL: Center of mass = 11.6874034664 -0.53111498297 -1.82630608524 TCL: atom 1: phi = -0.237466292773 TCL: Center of mass = 11.6900002832 -0.531285883052 -1.82650047909 TCL: atom 1: phi = -0.236950904667 TCL: Center of mass = 11.6925971141 -0.531448876526 -1.82668942918 TCL: atom 1: phi = -0.236909808668 TCL: Center of mass = 11.6951888513 -0.531604227676 -1.82688381752 TCL: atom 1: phi = -0.236616763363 TCL: Center of mass = 11.6977824011 -0.531752103946 -1.82707164329 TCL: atom 1: phi = -0.236725037504 TCL: Center of mass = 11.7003672986 -0.531898152249 -1.82725402547 TCL: atom 1: phi = -0.236453756982 TCL: Center of mass = 11.7029490386 -0.532050647571 -1.82743151652 TCL: atom 1: phi = -0.236451445124 TCL: Center of mass = 11.7055297979 -0.532209644396 -1.82760673918 TCL: atom 1: phi = -0.235980508408 TCL: Center of mass = 11.7081200142 -0.532380747429 -1.82779613213 TCL: atom 1: phi = -0.235804035147 TCL: Center of mass = 11.7107197207 -0.532542361401 -1.82799116431 TCL: atom 1: phi = -0.235204236618 TCL: Center of mass = 11.7133213328 -0.532713487978 -1.8281954087 TCL: atom 1: phi = -0.235001234182 TCL: Center of mass = 11.715926291 -0.532900121475 -1.82840479042 TCL: atom 1: phi = -0.234594644496 TCL: Center of mass = 11.7185305581 -0.533078981472 -1.82861514184 TCL: atom 1: phi = -0.234742119872 TCL: Center of mass = 11.7211275615 -0.53327556351 -1.82881086606 TCL: atom 1: phi = -0.234700080099 TCL: Center of mass = 11.7237337912 -0.53344472111 -1.82900675308 TCL: atom 1: phi = -0.235221284203 TCL: Center of mass = 11.726337812 -0.533615594047 -1.82921086874 TCL: atom 1: phi = -0.235513720681 TCL: Center of mass = 11.728936762 -0.533781144276 -1.82941546087 TCL: atom 1: phi = -0.236279506089 TCL: Center of mass = 11.7315412874 -0.53394580491 -1.82963134832 TCL: atom 1: phi = -0.236753324474 TCL: Center of mass = 11.7341571021 -0.534109077642 -1.82984816862 TCL: atom 1: phi = -0.237663915521 TCL: Center of mass = 11.7367760177 -0.534271708452 -1.8300614601 TCL: atom 1: phi = -0.23833654972 TCL: Center of mass = 11.7393959532 -0.534444555344 -1.83026804558 TCL: atom 1: phi = -0.239453765955 TCL: Center of mass = 11.7420195336 -0.534622496885 -1.83047591427 TCL: atom 1: phi = -0.240333114282 TCL: Center of mass = 11.7446425234 -0.534809940581 -1.8306951229 TCL: atom 1: phi = -0.2416588941 TCL: Center of mass = 11.7472522341 -0.534993107032 -1.83090610195 TCL: atom 1: phi = -0.242740045996 TCL: Center of mass = 11.7498452527 -0.535169160794 -1.83111719932 TCL: atom 1: phi = -0.244109844397 TCL: Center of mass = 11.7524414555 -0.535321831059 -1.8313219278 TCL: atom 1: phi = -0.245098116313 TCL: Center of mass = 11.7550369419 -0.535454203207 -1.83153849995 TCL: atom 1: phi = -0.246124033276 TCL: Center of mass = 11.7576327293 -0.535582932554 -1.83176358341 TCL: atom 1: phi = -0.246620732279 TCL: Center of mass = 11.7602248977 -0.535715536649 -1.83199541253 TCL: atom 1: phi = -0.247142838782 TCL: Center of mass = 11.7628169426 -0.535846578659 -1.83222206089 TCL: atom 1: phi = -0.247206002186 TCL: Center of mass = 11.7654112774 -0.535976230445 -1.832453218 TCL: atom 1: phi = -0.247288480651 TCL: Center of mass = 11.7680084307 -0.536094139986 -1.83268943828 TCL: atom 1: phi = -0.247018740065 TCL: Center of mass = 11.7706056929 -0.536218071628 -1.83293432582 TCL: atom 1: phi = -0.246997064893 TCL: Center of mass = 11.7732041397 -0.536340548775 -1.83318163728 TCL: atom 1: phi = -0.246725126882 TCL: Center of mass = 11.7757890807 -0.536456796669 -1.8334248331 TCL: atom 1: phi = -0.246725855685 TCL: Center of mass = 11.7783844256 -0.536582650647 -1.83367301656 TCL: atom 1: phi = -0.246371836039 TCL: Center of mass = 11.7809876942 -0.536706137599 -1.83390821994 TCL: atom 1: phi = -0.246214638493 TCL: Center of mass = 11.7835975313 -0.536824379601 -1.83413920047 TCL: atom 1: phi = -0.24570472957 TCL: Center of mass = 11.7862175371 -0.536960656843 -1.83437284673 TCL: atom 1: phi = -0.245419206148 TCL: Center of mass = 11.7888440714 -0.537105487568 -1.83461282863 TCL: atom 1: phi = -0.244812212649 TCL: Center of mass = 11.7914693478 -0.537248694719 -1.83485913701 TCL: atom 1: phi = -0.244453180995 TCL: Center of mass = 11.7941048696 -0.537385840824 -1.83510994151 TCL: atom 1: phi = -0.243830419097 TCL: Center of mass = 11.7967302531 -0.537527069973 -1.8353540639 TCL: atom 1: phi = -0.243472296125 TCL: Center of mass = 11.7993486663 -0.537677442963 -1.83559583224 TCL: atom 1: phi = -0.242797580137 TCL: Center of mass = 11.8019748761 -0.537815747995 -1.83583562862 TCL: atom 1: phi = -0.242358225771 TCL: Center of mass = 11.8046090638 -0.537955497512 -1.83607166482 TCL: atom 1: phi = -0.241515678525 TCL: Center of mass = 11.8072419276 -0.538089190986 -1.83630311472 TCL: atom 1: phi = -0.240869763066 TCL: Center of mass = 11.8098732087 -0.538216309985 -1.83652530213 TCL: atom 1: phi = -0.239881156213 TCL: Center of mass = 11.8125033404 -0.538344877055 -1.83674347337 TCL: atom 1: phi = -0.239185672401 TCL: Center of mass = 11.8151376961 -0.53846455274 -1.83697057108 TCL: atom 1: phi = -0.238219709358 TCL: Center of mass = 11.8177633827 -0.538584530701 -1.83720177991 TCL: atom 1: phi = -0.237631510812 TCL: Center of mass = 11.8203894219 -0.538693776624 -1.83743528541 TCL: atom 1: phi = -0.236916178932 TIMING: 5100 CPU: 865.914, 0.169944/step Wall: 1059.66, 0.208208/step, 0.86175 hours remaining, 20557 kB of memory in use. ENERGY: 5100 385.1743 691.4721 422.8376 46.3713 -2766.4216 -210.5177 0.0000 0.0000 1134.6819 -296.4023 309.2325 -287.8267 -286.9181 307.6148 154.1503 350.6405 64000.0000 452.3655 451.3163 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 = 11.8229996556 -0.538809843217 -1.83766951002 TCL: atom 1: phi = -0.236723712256 TCL: Center of mass = 11.8256113339 -0.538931585729 -1.83791146691 TCL: atom 1: phi = -0.236375800536 TCL: Center of mass = 11.8282100244 -0.539055397914 -1.83814841572 TCL: atom 1: phi = -0.236503600238 TCL: Center of mass = 11.8307959855 -0.539189183161 -1.8383945294 TCL: atom 1: phi = -0.236495723698 TCL: Center of mass = 11.8333802944 -0.539310426416 -1.8386451355 TCL: atom 1: phi = -0.236972519565 TCL: Center of mass = 11.8359583632 -0.539418878549 -1.83887696879 TCL: atom 1: phi = -0.237253838453 TCL: Center of mass = 11.8385381495 -0.539504366498 -1.83911031149 TCL: atom 1: phi = -0.237917713122 TCL: Center of mass = 11.8411140051 -0.539576225187 -1.83934819524 TCL: atom 1: phi = -0.23837409041 TCL: Center of mass = 11.8436971157 -0.539647140725 -1.83958297822 TCL: atom 1: phi = -0.239158180673 TCL: Center of mass = 11.8462806262 -0.539718139 -1.83982152236 TCL: atom 1: phi = -0.239710171141 TCL: Center of mass = 11.8488563505 -0.539792059304 -1.84005572161 TCL: atom 1: phi = -0.240492996597 TCL: Center of mass = 11.8514248071 -0.539860005636 -1.84029779248 TCL: atom 1: phi = -0.240893459342 TCL: Center of mass = 11.8539963582 -0.539932662212 -1.84053250456 TCL: atom 1: phi = -0.241350499008 TCL: Center of mass = 11.8565633123 -0.54001418388 -1.84076618419 TCL: atom 1: phi = -0.241372933711 TCL: Center of mass = 11.859117377 -0.540094642267 -1.84100012372 TCL: atom 1: phi = -0.241393471283 TCL: Center of mass = 11.8616661544 -0.540173868831 -1.84123289519 TCL: atom 1: phi = -0.240979869671 TCL: Center of mass = 11.864210862 -0.540257538343 -1.84145890012 TCL: atom 1: phi = -0.24064235597 TCL: Center of mass = 11.8667604951 -0.540332481336 -1.84167355064 TCL: atom 1: phi = -0.239943955621 TCL: Center of mass = 11.8693138629 -0.540410100869 -1.8418968111 TCL: atom 1: phi = -0.239349075165 TCL: Center of mass = 11.8718674454 -0.540485476877 -1.84212342761 TCL: atom 1: phi = -0.238460681066 TCL: Center of mass = 11.8744197008 -0.540560568252 -1.84234816107 TCL: atom 1: phi = -0.237820551633 TCL: Center of mass = 11.8769770487 -0.540634769666 -1.84258278872 TCL: atom 1: phi = -0.237002524821 TCL: Center of mass = 11.8795473351 -0.540716794822 -1.84281690742 TCL: atom 1: phi = -0.236444105846 TCL: Center of mass = 11.8821287035 -0.54079728504 -1.84305554153 TCL: atom 1: phi = -0.235696214397 TCL: Center of mass = 11.8847065077 -0.540884094811 -1.84329641902 TCL: atom 1: phi = -0.235312978853 TCL: Center of mass = 11.8872802536 -0.540974478463 -1.84353223763 TCL: atom 1: phi = -0.234772740165 TCL: Center of mass = 11.8898527746 -0.541063416581 -1.84377488401 TCL: atom 1: phi = -0.23468346618 TCL: Center of mass = 11.8924285759 -0.54114726792 -1.84402723488 TCL: atom 1: phi = -0.23444501859 TCL: Center of mass = 11.8950060184 -0.541231407745 -1.84428025156 TCL: atom 1: phi = -0.234616077115 TCL: Center of mass = 11.8975790306 -0.541317558846 -1.84453513578 TCL: atom 1: phi = -0.234591813671 TCL: Center of mass = 11.9001380261 -0.5414036519 -1.84478181201 TCL: atom 1: phi = -0.234889728849 TCL: Center of mass = 11.9026915757 -0.541491295334 -1.84502691767 TCL: atom 1: phi = -0.234898175163 TCL: Center of mass = 11.9052318195 -0.541583321262 -1.84527413998 TCL: atom 1: phi = -0.235116605878 TCL: Center of mass = 11.9077732047 -0.541672710063 -1.84552518868 TCL: atom 1: phi = -0.234968605537 TCL: Center of mass = 11.9103193927 -0.541768832461 -1.84577227849 TCL: atom 1: phi = -0.235102579106 TCL: Center of mass = 11.9128600162 -0.54186459446 -1.84602287859 TCL: atom 1: phi = -0.234908737108 TCL: Center of mass = 11.9153989552 -0.541951085788 -1.84627428711 TCL: atom 1: phi = -0.235098000783 TCL: Center of mass = 11.9179405548 -0.542041741537 -1.84651691613 TCL: atom 1: phi = -0.235076437524 TCL: Center of mass = 11.9204657247 -0.542127440813 -1.84675479747 TCL: atom 1: phi = -0.235578758747 TCL: Center of mass = 11.9229864853 -0.542206575442 -1.8469839654 TCL: atom 1: phi = -0.235911501768 TCL: Center of mass = 11.9255089086 -0.542269918568 -1.84721536854 TCL: atom 1: phi = -0.236762107927 TCL: Center of mass = 11.9280364157 -0.542340074678 -1.84744897827 TCL: atom 1: phi = -0.237419410363 TCL: Center of mass = 11.9305766323 -0.542401251134 -1.8476762535 TCL: atom 1: phi = -0.238508871644 TCL: Center of mass = 11.9331238654 -0.542465531547 -1.84791409724 TCL: atom 1: phi = -0.239339421088 TCL: Center of mass = 11.9356889581 -0.542535311734 -1.84815195245 TCL: atom 1: phi = -0.240464947539 TCL: Center of mass = 11.9382436334 -0.542600010087 -1.84839122469 TCL: atom 1: phi = -0.241318576302 TCL: Center of mass = 11.9407901478 -0.542663462061 -1.8486309227 TCL: atom 1: phi = -0.242457930148 TCL: Center of mass = 11.9433381391 -0.542731141304 -1.84885971465 TCL: atom 1: phi = -0.243310111293 TCL: Center of mass = 11.9458808873 -0.542795129875 -1.84910069277 TCL: atom 1: phi = -0.244452938626 TCL: Center of mass = 11.9484286075 -0.542863911047 -1.84933229172 TCL: atom 1: phi = -0.245300318776 TCL: Center of mass = 11.9509803775 -0.542931144341 -1.84956456636 TCL: atom 1: phi = -0.246227804591 TCL: Center of mass = 11.9535358584 -0.543004625925 -1.84980221108 TCL: atom 1: phi = -0.246739797075 TCL: Center of mass = 11.9560959122 -0.543076105226 -1.85003951121 TCL: atom 1: phi = -0.247234357557 TCL: Center of mass = 11.9586430958 -0.543146160612 -1.85027056832 TCL: atom 1: phi = -0.247223135396 TCL: Center of mass = 11.9611892261 -0.543216493659 -1.85049480631 TCL: atom 1: phi = -0.247138891412 TCL: Center of mass = 11.9637369283 -0.543289155193 -1.85071892102 TCL: atom 1: phi = -0.246597809472 TCL: Center of mass = 11.9662832517 -0.543354208718 -1.85094882058 TCL: atom 1: phi = -0.246149997945 TCL: Center of mass = 11.9688311504 -0.543415060932 -1.85117009944 TCL: atom 1: phi = -0.245405495294 TCL: Center of mass = 11.9713895933 -0.543474842352 -1.85138503476 TCL: atom 1: phi = -0.244886158947 TCL: Center of mass = 11.9739607994 -0.543549051929 -1.8515951434 TCL: atom 1: phi = -0.244212660306 TCL: Center of mass = 11.976531961 -0.543618041008 -1.851810642 TCL: atom 1: phi = -0.243820319824 TCL: Center of mass = 11.9791039117 -0.543699358491 -1.85202807511 TCL: atom 1: phi = -0.243213916805 TCL: Center of mass = 11.9816730295 -0.54378601281 -1.85224220125 TCL: atom 1: phi = -0.242834332888 TCL: Center of mass = 11.9842465085 -0.543870799477 -1.8524646749 TCL: atom 1: phi = -0.242232572505 TCL: Center of mass = 11.9868201887 -0.543946758651 -1.85268366638 TCL: atom 1: phi = -0.241803500306 TCL: Center of mass = 11.9893947935 -0.54402206915 -1.85291028497 TCL: atom 1: phi = -0.241100523091 TCL: Center of mass = 11.9919750691 -0.544094036524 -1.8531410302 TCL: atom 1: phi = -0.240578744428 TCL: Center of mass = 11.9945512332 -0.544163543962 -1.85336849067 TCL: atom 1: phi = -0.239823994265 TCL: Center of mass = 11.9971331409 -0.544220782647 -1.85359609764 TCL: atom 1: phi = -0.239334336305 TCL: Center of mass = 11.9997165217 -0.544285330278 -1.85382983088 TCL: atom 1: phi = -0.238659196721 TCL: Center of mass = 12.0022965936 -0.544340762595 -1.85407067268 TCL: atom 1: phi = -0.238086944974 TCL: Center of mass = 12.0048813389 -0.544400301894 -1.85429840316 TCL: atom 1: phi = -0.237183377772 TCL: Center of mass = 12.0074659435 -0.544449833614 -1.85452671632 TCL: atom 1: phi = -0.236387275289 TCL: Center of mass = 12.0100471314 -0.544508126287 -1.85474928344 TCL: atom 1: phi = -0.235132731132 TCL: Center of mass = 12.0126299204 -0.544557967537 -1.85497742766 TCL: atom 1: phi = -0.233978717375 TCL: Center of mass = 12.0152224161 -0.544606345264 -1.85521492583 TCL: atom 1: phi = -0.232502356763 TCL: Center of mass = 12.0178222061 -0.544657294491 -1.85544946937 TCL: atom 1: phi = -0.231277168247 TCL: Center of mass = 12.0204287514 -0.544707866472 -1.85569230001 TCL: atom 1: phi = -0.229897123832 TCL: Center of mass = 12.0230382293 -0.54476283738 -1.85593552445 TCL: atom 1: phi = -0.228991478306 TCL: Center of mass = 12.0256374723 -0.544835526683 -1.85617294406 TCL: atom 1: phi = -0.227985310797 TCL: Center of mass = 12.0282319461 -0.544913163624 -1.85640362715 TCL: atom 1: phi = -0.227477193901 TCL: Center of mass = 12.0308266099 -0.544983332425 -1.85663403375 TCL: atom 1: phi = -0.226895613837 TCL: Center of mass = 12.0334205126 -0.545060110763 -1.85686719557 TCL: atom 1: phi = -0.22674348221 TCL: Center of mass = 12.0360141368 -0.545144327895 -1.85709295463 TCL: atom 1: phi = -0.226442588206 TCL: Center of mass = 12.0386045922 -0.545237159464 -1.85733015635 TCL: atom 1: phi = -0.226543656518 TCL: Center of mass = 12.0412038535 -0.54532918266 -1.85756544757 TCL: atom 1: phi = -0.226456781453 TCL: Center of mass = 12.0437920908 -0.54541783597 -1.85780315028 TCL: atom 1: phi = -0.226687091732 TCL: Center of mass = 12.0463811995 -0.54550348959 -1.85804529775 TCL: atom 1: phi = -0.226679435188 TCL: Center of mass = 12.0489691752 -0.545594407252 -1.85828995393 TCL: atom 1: phi = -0.227026123465 TCL: Center of mass = 12.0515589239 -0.545681201932 -1.85852519642 TCL: atom 1: phi = -0.227044231795 TCL: Center of mass = 12.0541574714 -0.545747981074 -1.85874924419 TCL: atom 1: phi = -0.227218882081 TCL: Center of mass = 12.0567608143 -0.545797311941 -1.85897376298 TCL: atom 1: phi = -0.226921486822 TCL: Center of mass = 12.0593725625 -0.545839917916 -1.85919191785 TCL: atom 1: phi = -0.226647887684 TCL: Center of mass = 12.0619853946 -0.545895160326 -1.85941055023 TCL: atom 1: phi = -0.225806063951 TCL: Center of mass = 12.0645990785 -0.545947159217 -1.85962428446 TCL: atom 1: phi = -0.225030866963 TCL: Center of mass = 12.0672206738 -0.545994225973 -1.85982547665 TCL: atom 1: phi = -0.223756464783 TCL: Center of mass = 12.0698482019 -0.546041897304 -1.86003097763 TCL: atom 1: phi = -0.222755251035 TCL: Center of mass = 12.0724739885 -0.546092027883 -1.86025536913 TCL: atom 1: phi = -0.221437819086 TCL: Center of mass = 12.0750961996 -0.546146299932 -1.86048059632 TCL: atom 1: phi = -0.220676702499 TCL: Center of mass = 12.0777223193 -0.54620894006 -1.86071747752 TCL: atom 1: phi = -0.219811117037 TIMING: 5200 CPU: 882.942, 0.170274/step Wall: 1080.45, 0.207827/step, 0.854401 hours remaining, 20578 kB of memory in use. ENERGY: 5200 403.1529 677.2220 411.4048 50.7356 -2803.1589 -191.5781 0.0000 0.0000 1155.1354 -297.0864 314.8067 -288.3359 -288.2007 309.9060 566.1401 772.5832 64000.0000 177.7839 171.6164 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5200 WRITING COORDINATES TO DCD FILE AT STEP 5200 WRITING COORDINATES TO RESTART FILE AT STEP 5200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.0803478133 -0.546265873225 -1.8609716194 TCL: atom 1: phi = -0.219607077767 TCL: Center of mass = 12.0829802009 -0.54631712554 -1.86122488289 TCL: atom 1: phi = -0.219262772908 TCL: Center of mass = 12.0856024264 -0.546359501406 -1.86148449638 TCL: atom 1: phi = -0.219510386949 TCL: Center of mass = 12.0882360457 -0.546407898855 -1.86174606805 TCL: atom 1: phi = -0.219502819023 TCL: Center of mass = 12.0908625121 -0.54645909983 -1.86200230471 TCL: atom 1: phi = -0.219958596588 TCL: Center of mass = 12.0934952098 -0.546509132426 -1.86225612739 TCL: atom 1: phi = -0.220092802311 TCL: Center of mass = 12.0961318883 -0.546557309999 -1.86250275628 TCL: atom 1: phi = -0.22060100483 TCL: Center of mass = 12.0987710576 -0.546599246095 -1.862754887 TCL: atom 1: phi = -0.220789236813 TCL: Center of mass = 12.1013992355 -0.546647310598 -1.86299397377 TCL: atom 1: phi = -0.221298540429 TCL: Center of mass = 12.1040229069 -0.546700206783 -1.86323499255 TCL: atom 1: phi = -0.221422440135 TCL: Center of mass = 12.1066551177 -0.546733706219 -1.86347183044 TCL: atom 1: phi = -0.221720214063 TCL: Center of mass = 12.1092827139 -0.546772966274 -1.86371321482 TCL: atom 1: phi = -0.221500466343 TCL: Center of mass = 12.111924819 -0.546816890187 -1.86395412213 TCL: atom 1: phi = -0.221361093431 TCL: Center of mass = 12.1145731062 -0.546858200795 -1.86420175704 TCL: atom 1: phi = -0.220684585166 TCL: Center of mass = 12.1172291006 -0.546896759269 -1.86445515205 TCL: atom 1: phi = -0.220087618867 TCL: Center of mass = 12.1198916714 -0.546939159479 -1.86471746306 TCL: atom 1: phi = -0.219044591017 TCL: Center of mass = 12.1225549466 -0.54697241074 -1.86499821627 TCL: atom 1: phi = -0.218278632439 TCL: Center of mass = 12.1252223768 -0.547001579184 -1.86527223893 TCL: atom 1: phi = -0.21725761788 TCL: Center of mass = 12.1278864748 -0.547024507752 -1.86554049063 TCL: atom 1: phi = -0.216696326697 TCL: Center of mass = 12.1305515821 -0.547054681533 -1.86580162645 TCL: atom 1: phi = -0.216019302571 TCL: Center of mass = 12.1332207315 -0.547074688329 -1.86605909279 TCL: atom 1: phi = -0.21591839678 TCL: Center of mass = 12.1358802484 -0.547099392589 -1.86631116815 TCL: atom 1: phi = -0.21578756455 TCL: Center of mass = 12.1385338133 -0.547106759062 -1.86656514871 TCL: atom 1: phi = -0.216222490201 TCL: Center of mass = 12.1411838699 -0.547121867713 -1.86682971425 TCL: atom 1: phi = -0.216608900193 TCL: Center of mass = 12.1438313796 -0.547144494235 -1.86709729326 TCL: atom 1: phi = -0.21742169282 TCL: Center of mass = 12.146495636 -0.547173471728 -1.86737000954 TCL: atom 1: phi = -0.218077823365 TCL: Center of mass = 12.1491667798 -0.54722077107 -1.86763651185 TCL: atom 1: phi = -0.218974153405 TCL: Center of mass = 12.1518521618 -0.547293045515 -1.86789385359 TCL: atom 1: phi = -0.219633591911 TCL: Center of mass = 12.1545364631 -0.547375851064 -1.868145458 TCL: atom 1: phi = -0.220464299029 TCL: Center of mass = 12.1572174476 -0.547461619109 -1.8683947613 TCL: atom 1: phi = -0.220913924347 TCL: Center of mass = 12.1598843744 -0.547556128692 -1.8686275546 TCL: atom 1: phi = -0.221368628879 TCL: Center of mass = 12.1625441927 -0.547655327609 -1.86885123406 TCL: atom 1: phi = -0.22133747203 TCL: Center of mass = 12.1652074585 -0.547764902478 -1.86907652415 TCL: atom 1: phi = -0.2211597951 TCL: Center of mass = 12.1678715609 -0.547873911133 -1.86930196604 TCL: atom 1: phi = -0.220429565784 TCL: Center of mass = 12.1705341209 -0.547978441021 -1.86953373889 TCL: atom 1: phi = -0.219536739021 TCL: Center of mass = 12.1731890791 -0.548072811056 -1.86976413701 TCL: atom 1: phi = -0.218173916232 TCL: Center of mass = 12.1758549259 -0.548164204413 -1.86999608075 TCL: atom 1: phi = -0.216815291593 TCL: Center of mass = 12.1785315281 -0.548243242958 -1.87021830687 TCL: atom 1: phi = -0.215160524507 TCL: Center of mass = 12.1811958384 -0.548340668233 -1.87044388399 TCL: atom 1: phi = -0.213713903688 TCL: Center of mass = 12.1838597949 -0.548430519705 -1.87066933638 TCL: atom 1: phi = -0.212157719244 TCL: Center of mass = 12.1865055881 -0.548531786357 -1.87090624833 TCL: atom 1: phi = -0.210964715635 TCL: Center of mass = 12.1891544639 -0.548638460618 -1.87114017855 TCL: atom 1: phi = -0.209786370089 TCL: Center of mass = 12.1918047081 -0.548750783198 -1.8713781821 TCL: atom 1: phi = -0.20907861502 TCL: Center of mass = 12.1944644303 -0.548859796358 -1.87160841294 TCL: atom 1: phi = -0.208343393562 TCL: Center of mass = 12.1971225387 -0.548971269607 -1.87184891645 TCL: atom 1: phi = -0.208047839813 TCL: Center of mass = 12.1997883687 -0.549080019775 -1.87208151381 TCL: atom 1: phi = -0.207691939703 TCL: Center of mass = 12.2024604914 -0.549178394669 -1.87233548525 TCL: atom 1: phi = -0.207694007167 TCL: Center of mass = 12.2051370259 -0.549267083652 -1.87259615375 TCL: atom 1: phi = -0.207587373346 TCL: Center of mass = 12.2078167191 -0.549351048759 -1.87284991703 TCL: atom 1: phi = -0.207759450994 TCL: Center of mass = 12.2104968099 -0.54943240008 -1.87310002468 TCL: atom 1: phi = -0.207700967117 TCL: Center of mass = 12.2131729287 -0.549511416868 -1.87335426929 TCL: atom 1: phi = -0.207724657915 TCL: Center of mass = 12.2158459058 -0.549599935566 -1.87361082454 TCL: atom 1: phi = -0.207401550311 TCL: Center of mass = 12.2185119491 -0.549692535526 -1.87386190519 TCL: atom 1: phi = -0.207153517102 TCL: Center of mass = 12.2211816328 -0.549785625689 -1.87410343674 TCL: atom 1: phi = -0.20653526736 TCL: Center of mass = 12.223853926 -0.549892280491 -1.874333792 TCL: atom 1: phi = -0.205903291437 TCL: Center of mass = 12.2265349686 -0.550000050759 -1.87456501126 TCL: atom 1: phi = -0.20496684308 TCL: Center of mass = 12.229223794 -0.550100651087 -1.87480247248 TCL: atom 1: phi = -0.204214791822 TCL: Center of mass = 12.231922527 -0.55020548204 -1.87503160545 TCL: atom 1: phi = -0.203219409246 TCL: Center of mass = 12.234622373 -0.550321139124 -1.87525507718 TCL: atom 1: phi = -0.202476865417 TCL: Center of mass = 12.2373314953 -0.550440953245 -1.87547458991 TCL: atom 1: phi = -0.201670057055 TCL: Center of mass = 12.2400461468 -0.550573707321 -1.87570596756 TCL: atom 1: phi = -0.201240642681 TCL: Center of mass = 12.2427627126 -0.550713046609 -1.87593494022 TCL: atom 1: phi = -0.200784117241 TCL: Center of mass = 12.2454859088 -0.550855120468 -1.87614675114 TCL: atom 1: phi = -0.200783118701 TCL: Center of mass = 12.2482027648 -0.550989118828 -1.87636605581 TCL: atom 1: phi = -0.200801251335 TCL: Center of mass = 12.2509124219 -0.551123853825 -1.87658864182 TCL: atom 1: phi = -0.201285235148 TCL: Center of mass = 12.253614719 -0.551257723353 -1.87681670079 TCL: atom 1: phi = -0.201771228346 TCL: Center of mass = 12.2563109014 -0.551396635279 -1.87704161283 TCL: atom 1: phi = -0.202641009859 TCL: Center of mass = 12.2590242761 -0.551546220708 -1.87726225037 TCL: atom 1: phi = -0.203429506323 TCL: Center of mass = 12.2617391333 -0.551691390902 -1.87748415402 TCL: atom 1: phi = -0.20447001056 TCL: Center of mass = 12.2644390451 -0.551832537885 -1.87770089324 TCL: atom 1: phi = -0.20529382222 TCL: Center of mass = 12.2671456661 -0.551972036905 -1.8779277416 TCL: atom 1: phi = -0.206091866188 TCL: Center of mass = 12.2698444716 -0.55212559415 -1.87814878375 TCL: atom 1: phi = -0.206431647972 TCL: Center of mass = 12.2725380432 -0.552271748728 -1.87836457362 TCL: atom 1: phi = -0.206598030505 TCL: Center of mass = 12.2752380961 -0.552439296411 -1.8785836956 TCL: atom 1: phi = -0.206223913512 TCL: Center of mass = 12.277927105 -0.552614189507 -1.87880632663 TCL: atom 1: phi = -0.205686555585 TCL: Center of mass = 12.2806134621 -0.552785747081 -1.87902617543 TCL: atom 1: phi = -0.204733491481 TCL: Center of mass = 12.2832893983 -0.552961483841 -1.87924514409 TCL: atom 1: phi = -0.203839355195 TCL: Center of mass = 12.2859662937 -0.553140291147 -1.87946178428 TCL: atom 1: phi = -0.202656322698 TCL: Center of mass = 12.2886418928 -0.553310748244 -1.87967327228 TCL: atom 1: phi = -0.201623933226 TCL: Center of mass = 12.2913141354 -0.553478276443 -1.87989276963 TCL: atom 1: phi = -0.200421631756 TCL: Center of mass = 12.2940093354 -0.553643132939 -1.88011603588 TCL: atom 1: phi = -0.199514956472 TCL: Center of mass = 12.2967086191 -0.553802509885 -1.88033893839 TCL: atom 1: phi = -0.198488342411 TCL: Center of mass = 12.2994133093 -0.553974826482 -1.8805542936 TCL: atom 1: phi = -0.197887656515 TCL: Center of mass = 12.3021181502 -0.554148753755 -1.88077535469 TCL: atom 1: phi = -0.197290877103 TCL: Center of mass = 12.304827831 -0.554339208004 -1.88100316785 TCL: atom 1: phi = -0.197140964804 TCL: Center of mass = 12.3075408422 -0.554529366459 -1.88122991942 TCL: atom 1: phi = -0.197029897809 TCL: Center of mass = 12.3102531023 -0.554720784 -1.88145493261 TCL: atom 1: phi = -0.197394018954 TCL: Center of mass = 12.3129551959 -0.554923687172 -1.88167559688 TCL: atom 1: phi = -0.197730838791 TCL: Center of mass = 12.3156585394 -0.555128865403 -1.88189787876 TCL: atom 1: phi = -0.198456388281 TCL: Center of mass = 12.3183698777 -0.555337375153 -1.88212143616 TCL: atom 1: phi = -0.198999540335 TCL: Center of mass = 12.3210772565 -0.555551849315 -1.88234018307 TCL: atom 1: phi = -0.199706955926 TCL: Center of mass = 12.3237912384 -0.555769044784 -1.88255310965 TCL: atom 1: phi = -0.19998149319 TCL: Center of mass = 12.3265106941 -0.55599944174 -1.88278994119 TCL: atom 1: phi = -0.200273298234 TCL: Center of mass = 12.3292289626 -0.556237659752 -1.8830352939 TCL: atom 1: phi = -0.200106727556 TCL: Center of mass = 12.331955132 -0.556475792206 -1.88327081851 TCL: atom 1: phi = -0.199904212351 TCL: Center of mass = 12.3346751305 -0.556720937391 -1.88349533115 TCL: atom 1: phi = -0.199257346182 TCL: Center of mass = 12.3374020485 -0.556975795321 -1.88372261483 TCL: atom 1: phi = -0.198716727079 TCL: Center of mass = 12.3401369213 -0.557236071451 -1.88395264391 TCL: atom 1: phi = -0.197862528977 TCL: Center of mass = 12.3428740467 -0.557502501415 -1.88419575207 TCL: atom 1: phi = -0.197169197568 TCL: Center of mass = 12.3456159948 -0.557766886536 -1.88443651721 TCL: atom 1: phi = -0.196208512161 TIMING: 5300 CPU: 900.054, 0.171124/step Wall: 1101.27, 0.208183/step, 0.85008 hours remaining, 20650 kB of memory in use. ENERGY: 5300 417.7974 686.3619 412.3428 43.9856 -2774.0756 -206.2139 0.0000 0.0000 1122.2692 -297.5326 305.8497 -288.6551 -289.1765 307.8950 317.7650 663.1852 64000.0000 638.9692 633.6633 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5300 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 TCL: Center of mass = 12.3483657615 -0.558027073703 -1.8846672487 TCL: atom 1: phi = -0.195399455481 TCL: Center of mass = 12.3511108011 -0.55827062616 -1.88489440496 TCL: atom 1: phi = -0.194386763137 TCL: Center of mass = 12.3538513846 -0.558507548329 -1.88510328514 TCL: atom 1: phi = -0.193614314895 TCL: Center of mass = 12.3566036198 -0.558738754281 -1.88530476541 TCL: atom 1: phi = -0.192701918335 TCL: Center of mass = 12.3593611303 -0.558962680494 -1.88548839951 TCL: atom 1: phi = -0.192207281113 TCL: Center of mass = 12.3621132597 -0.559190942463 -1.88567712454 TCL: atom 1: phi = -0.191626143496 TCL: Center of mass = 12.3648673919 -0.55941470361 -1.88587815051 TCL: atom 1: phi = -0.191456159911 TCL: Center of mass = 12.3676259696 -0.559626786126 -1.88608199926 TCL: atom 1: phi = -0.191268806483 TCL: Center of mass = 12.370381609 -0.559832866917 -1.88629292348 TCL: atom 1: phi = -0.191448123787 TCL: Center of mass = 12.3731433679 -0.560037292006 -1.88650062006 TCL: atom 1: phi = -0.191456123367 TCL: Center of mass = 12.3759248419 -0.560248170085 -1.88670807431 TCL: atom 1: phi = -0.191639045049 TCL: Center of mass = 12.3786956553 -0.560451739862 -1.88692005043 TCL: atom 1: phi = -0.191418431816 TCL: Center of mass = 12.3814740635 -0.56065605501 -1.88713707699 TCL: atom 1: phi = -0.191252030847 TCL: Center of mass = 12.3842398707 -0.56086989324 -1.88736403851 TCL: atom 1: phi = -0.190641972118 TCL: Center of mass = 12.3870064308 -0.561085709046 -1.887589556 TCL: atom 1: phi = -0.190083428615 TCL: Center of mass = 12.389755615 -0.56130752653 -1.88781975825 TCL: atom 1: phi = -0.189129933748 TCL: Center of mass = 12.3925110537 -0.561532757327 -1.88805481345 TCL: atom 1: phi = -0.188391407328 TCL: Center of mass = 12.3952696712 -0.561777682465 -1.88827693498 TCL: atom 1: phi = -0.187512972864 TCL: Center of mass = 12.3980248308 -0.562022718672 -1.88849503906 TCL: atom 1: phi = -0.187020653415 TCL: Center of mass = 12.4007824263 -0.562276049741 -1.88871734805 TCL: atom 1: phi = -0.18642819363 TCL: Center of mass = 12.4035441638 -0.562532179095 -1.88893046555 TCL: atom 1: phi = -0.186230849063 TCL: Center of mass = 12.40630421 -0.5627896527 -1.88913366953 TCL: atom 1: phi = -0.185881288046 TCL: Center of mass = 12.4090600594 -0.56304617805 -1.88933437303 TCL: atom 1: phi = -0.185877201097 TCL: Center of mass = 12.4118095057 -0.563306925983 -1.88953715702 TCL: atom 1: phi = -0.185771093924 TCL: Center of mass = 12.4145621925 -0.563589905942 -1.88974307487 TCL: atom 1: phi = -0.186144072462 TCL: Center of mass = 12.4173063476 -0.563876838098 -1.88994691386 TCL: atom 1: phi = -0.186536928234 TCL: Center of mass = 12.4200521457 -0.564172601318 -1.89015373603 TCL: atom 1: phi = -0.187509935669 TCL: Center of mass = 12.4227969805 -0.564470856024 -1.89035441942 TCL: atom 1: phi = -0.188508681488 TCL: Center of mass = 12.4255345694 -0.564769670378 -1.89055285834 TCL: atom 1: phi = -0.190038168911 TCL: Center of mass = 12.4282828877 -0.565062263995 -1.89075870067 TCL: atom 1: phi = -0.19155307632 TCL: Center of mass = 12.4310381909 -0.56535464043 -1.89096465004 TCL: atom 1: phi = -0.193435780119 TCL: Center of mass = 12.4337896491 -0.565646623238 -1.89117561995 TCL: atom 1: phi = -0.195043519576 TCL: Center of mass = 12.4365322675 -0.565941590797 -1.8913788341 TCL: atom 1: phi = -0.196716454369 TCL: Center of mass = 12.4392624332 -0.566246810744 -1.89157684133 TCL: atom 1: phi = -0.197975596469 TCL: Center of mass = 12.4419937805 -0.566545124066 -1.89177126564 TCL: atom 1: phi = -0.19931053678 TCL: Center of mass = 12.4447304971 -0.566851248761 -1.89196721514 TCL: atom 1: phi = -0.200403385516 TCL: Center of mass = 12.4474713695 -0.567145136508 -1.89215962772 TCL: atom 1: phi = -0.201647729559 TCL: Center of mass = 12.4502138748 -0.567440715245 -1.89235056794 TCL: atom 1: phi = -0.202662558343 TCL: Center of mass = 12.4529616555 -0.567749392056 -1.89253689859 TCL: atom 1: phi = -0.203897362984 TCL: Center of mass = 12.4556980992 -0.568065393812 -1.89273240544 TCL: atom 1: phi = -0.204878589386 TCL: Center of mass = 12.4584491692 -0.568378722483 -1.89293691915 TCL: atom 1: phi = -0.205998289839 TCL: Center of mass = 12.4612054652 -0.568697929278 -1.89313913215 TCL: atom 1: phi = -0.20683819346 TCL: Center of mass = 12.4639694863 -0.569021315244 -1.89334272166 TCL: atom 1: phi = -0.207696185861 TCL: Center of mass = 12.4667406612 -0.569339699026 -1.89354845646 TCL: atom 1: phi = -0.208228367929 TCL: Center of mass = 12.4695093813 -0.569663436285 -1.89376067484 TCL: atom 1: phi = -0.208774653654 TCL: Center of mass = 12.4722831236 -0.569991646706 -1.89396705323 TCL: atom 1: phi = -0.209011737672 TCL: Center of mass = 12.4750666799 -0.570321684809 -1.89418438104 TCL: atom 1: phi = -0.209312809491 TCL: Center of mass = 12.4778408462 -0.570654159404 -1.89439158701 TCL: atom 1: phi = -0.209382855244 TCL: Center of mass = 12.480612384 -0.570990237652 -1.89459976875 TCL: atom 1: phi = -0.209563781871 TCL: Center of mass = 12.4833826833 -0.571325048955 -1.89480873203 TCL: atom 1: phi = -0.209499018083 TCL: Center of mass = 12.4861623561 -0.571660865508 -1.89501723001 TCL: atom 1: phi = -0.209535762798 TCL: Center of mass = 12.4889410644 -0.572004042947 -1.89521647478 TCL: atom 1: phi = -0.209200013845 TCL: Center of mass = 12.4917109637 -0.572349335537 -1.89540896777 TCL: atom 1: phi = -0.20884817465 TCL: Center of mass = 12.494482897 -0.572707255398 -1.89560993246 TCL: atom 1: phi = -0.208070484036 TCL: Center of mass = 12.497257883 -0.573062278647 -1.895818896 TCL: atom 1: phi = -0.207258192741 TCL: Center of mass = 12.5000295686 -0.573421793326 -1.89603365552 TCL: atom 1: phi = -0.206086753368 TCL: Center of mass = 12.502797792 -0.573786789298 -1.89624103662 TCL: atom 1: phi = -0.205106159331 TCL: Center of mass = 12.5055628852 -0.574149923222 -1.89647172906 TCL: atom 1: phi = -0.203959777705 TCL: Center of mass = 12.5083228874 -0.574517764144 -1.89671424445 TCL: atom 1: phi = -0.203110852399 TCL: Center of mass = 12.5110767462 -0.574879771642 -1.89696768185 TCL: atom 1: phi = -0.202195382699 TCL: Center of mass = 12.513842735 -0.575235675974 -1.89721956537 TCL: atom 1: phi = -0.201602873238 TCL: Center of mass = 12.5166024566 -0.575591850534 -1.89747587346 TCL: atom 1: phi = -0.200906242787 TCL: Center of mass = 12.5193678167 -0.575946234924 -1.89773131854 TCL: atom 1: phi = -0.200556072187 TCL: Center of mass = 12.5221462639 -0.576296323667 -1.8979746633 TCL: atom 1: phi = -0.200050094655 TCL: Center of mass = 12.5249181023 -0.576652592525 -1.89820962709 TCL: atom 1: phi = -0.199836398863 TCL: Center of mass = 12.5276899324 -0.577008429498 -1.89844654709 TCL: atom 1: phi = -0.199414394109 TCL: Center of mass = 12.5304713169 -0.577359579344 -1.89869138736 TCL: atom 1: phi = -0.199389249254 TCL: Center of mass = 12.5332519285 -0.577707986159 -1.89893646765 TCL: atom 1: phi = -0.199137925905 TCL: Center of mass = 12.5360245075 -0.578064678993 -1.89918050141 TCL: atom 1: phi = -0.199294149292 TCL: Center of mass = 12.5387937219 -0.578434161958 -1.89942207374 TCL: atom 1: phi = -0.199258515417 TCL: Center of mass = 12.5415598378 -0.578805542615 -1.89966803462 TCL: atom 1: phi = -0.199529240497 TCL: Center of mass = 12.5443253481 -0.579178753975 -1.89991357388 TCL: atom 1: phi = -0.199450811652 TCL: Center of mass = 12.5470902279 -0.579537414985 -1.9001629582 TCL: atom 1: phi = -0.199572861466 TCL: Center of mass = 12.549856981 -0.579894354646 -1.90041367893 TCL: atom 1: phi = -0.199305104237 TCL: Center of mass = 12.5526146864 -0.580245352962 -1.90066488964 TCL: atom 1: phi = -0.199226130609 TCL: Center of mass = 12.5553744247 -0.580596460909 -1.9009176533 TCL: atom 1: phi = -0.198782491568 TCL: Center of mass = 12.5581319765 -0.580949009001 -1.90116210026 TCL: atom 1: phi = -0.198688346252 TCL: Center of mass = 12.5608900808 -0.58130466603 -1.90141702452 TCL: atom 1: phi = -0.198376068735 TCL: Center of mass = 12.5636455263 -0.581649769338 -1.90167308488 TCL: atom 1: phi = -0.198562327901 TCL: Center of mass = 12.5663993856 -0.58198611731 -1.90193033158 TCL: atom 1: phi = -0.198615328319 TCL: Center of mass = 12.5691525667 -0.582328645842 -1.90218716068 TCL: atom 1: phi = -0.199162296397 TCL: Center of mass = 12.5719139828 -0.58266702405 -1.90244574045 TCL: atom 1: phi = -0.199611480437 TCL: Center of mass = 12.5746786554 -0.583007191877 -1.90271403528 TCL: atom 1: phi = -0.200539837583 TCL: Center of mass = 12.5774531632 -0.583345055112 -1.90297821448 TCL: atom 1: phi = -0.201250678628 TCL: Center of mass = 12.5802278401 -0.583677913591 -1.90323525255 TCL: atom 1: phi = -0.202317568103 TCL: Center of mass = 12.5830075406 -0.584009893186 -1.90349148324 TCL: atom 1: phi = -0.203132499261 TCL: Center of mass = 12.5857726591 -0.584336458741 -1.90374715882 TCL: atom 1: phi = -0.204276073516 TCL: Center of mass = 12.5885431746 -0.584660464273 -1.90399654713 TCL: atom 1: phi = -0.205120172495 TCL: Center of mass = 12.5913375246 -0.584991783632 -1.90424641807 TCL: atom 1: phi = -0.206219693265 TCL: Center of mass = 12.5941168332 -0.585311590934 -1.9044951311 TCL: atom 1: phi = -0.207027247218 TCL: Center of mass = 12.5968967407 -0.585634039096 -1.90473885668 TCL: atom 1: phi = -0.207976735572 TCL: Center of mass = 12.5996881055 -0.585966083088 -1.90499635762 TCL: atom 1: phi = -0.208500445434 TCL: Center of mass = 12.6024792524 -0.586295093158 -1.90525020697 TCL: atom 1: phi = -0.209097030762 TCL: Center of mass = 12.6052760287 -0.586623319058 -1.90551025417 TCL: atom 1: phi = -0.209297820285 TCL: Center of mass = 12.6080820984 -0.586952601839 -1.90576281892 TCL: atom 1: phi = -0.209640344207 TCL: Center of mass = 12.6108815745 -0.587268679377 -1.90600614064 TCL: atom 1: phi = -0.209623830966 TCL: Center of mass = 12.613667775 -0.587589179266 -1.90623213422 TCL: atom 1: phi = -0.209841051851 TCL: Center of mass = 12.6164622181 -0.587922175157 -1.90644932045 TCL: atom 1: phi = -0.209866714452 TCL: Center of mass = 12.6192450622 -0.588265621125 -1.90667257373 TCL: atom 1: phi = -0.210180924067 TCL: Center of mass = 12.6220205829 -0.588619218232 -1.90689418246 TCL: atom 1: phi = -0.210315320396 TIMING: 5400 CPU: 917.068, 0.170134/step Wall: 1122.1, 0.208393/step, 0.845151 hours remaining, 20708 kB of memory in use. ENERGY: 5400 411.8816 668.4176 396.6982 43.7490 -2745.8964 -216.2861 0.0000 0.0000 1138.8876 -302.5485 310.3787 -293.9555 -293.7979 307.6230 -48.8580 21.3073 64000.0000 303.8511 300.4871 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 = 12.6247923398 -0.58896824732 -1.90712992207 TCL: atom 1: phi = -0.210765631358 TCL: Center of mass = 12.6275639624 -0.589320201495 -1.90737484002 TCL: atom 1: phi = -0.211099147109 TCL: Center of mass = 12.630352466 -0.589665546493 -1.90761193109 TCL: atom 1: phi = -0.211711511107 TCL: Center of mass = 12.6331531578 -0.590007444342 -1.90784397027 TCL: atom 1: phi = -0.212118742453 TCL: Center of mass = 12.6359609957 -0.59035799926 -1.90807434453 TCL: atom 1: phi = -0.212787304876 TCL: Center of mass = 12.6387720337 -0.590708858955 -1.90830976444 TCL: atom 1: phi = -0.21320903389 TCL: Center of mass = 12.6415697037 -0.59106988544 -1.90854422755 TCL: atom 1: phi = -0.213774212851 TCL: Center of mass = 12.6443551876 -0.591431704742 -1.90877810524 TCL: atom 1: phi = -0.21402368892 TCL: Center of mass = 12.6471333869 -0.591793401518 -1.90900929903 TCL: atom 1: phi = -0.214476418673 TCL: Center of mass = 12.6499080846 -0.592142714735 -1.90922954432 TCL: atom 1: phi = -0.214618272361 TCL: Center of mass = 12.6526752092 -0.592502296365 -1.90945493664 TCL: atom 1: phi = -0.214893614366 TCL: Center of mass = 12.6554348119 -0.592846335882 -1.90968575653 TCL: atom 1: phi = -0.21485050964 TCL: Center of mass = 12.6581993919 -0.59318961622 -1.90991686947 TCL: atom 1: phi = -0.214966084734 TCL: Center of mass = 12.66096326 -0.593535252121 -1.91015309543 TCL: atom 1: phi = -0.214712023612 TCL: Center of mass = 12.6637335864 -0.593874864728 -1.91037864785 TCL: atom 1: phi = -0.214595449691 TCL: Center of mass = 12.6665008168 -0.59421517696 -1.91060033238 TCL: atom 1: phi = -0.214161223935 TCL: Center of mass = 12.6692571688 -0.594555496238 -1.9108129039 TCL: atom 1: phi = -0.213949849883 TCL: Center of mass = 12.6720051747 -0.594902912523 -1.91102464101 TCL: atom 1: phi = -0.213374237576 TCL: Center of mass = 12.674752706 -0.595259623505 -1.91124538313 TCL: atom 1: phi = -0.21304196149 TCL: Center of mass = 12.6775089121 -0.595604094114 -1.91146718343 TCL: atom 1: phi = -0.212550686979 TCL: Center of mass = 12.6802760289 -0.595946486254 -1.91169674885 TCL: atom 1: phi = -0.212322355516 TCL: Center of mass = 12.6830609526 -0.596291191752 -1.91192072254 TCL: atom 1: phi = -0.211904720302 TCL: Center of mass = 12.6858496478 -0.596628776906 -1.91213642175 TCL: atom 1: phi = -0.211785992001 TCL: Center of mass = 12.6886333974 -0.596963726854 -1.91235159566 TCL: atom 1: phi = -0.21145433377 TCL: Center of mass = 12.6914279245 -0.597299728085 -1.91256398915 TCL: atom 1: phi = -0.211427381894 TCL: Center of mass = 12.6942341117 -0.597633318525 -1.91278349684 TCL: atom 1: phi = -0.211186083924 TCL: Center of mass = 12.6970480781 -0.597969400274 -1.91300523418 TCL: atom 1: phi = -0.211182741698 TCL: Center of mass = 12.6998606648 -0.598307485151 -1.91323335221 TCL: atom 1: phi = -0.210865084448 TCL: Center of mass = 12.7026810753 -0.598642757992 -1.91346265627 TCL: atom 1: phi = -0.210750104505 TCL: Center of mass = 12.7055106946 -0.598984866585 -1.91369710403 TCL: atom 1: phi = -0.210241361244 TCL: Center of mass = 12.7083306644 -0.599326679955 -1.91394753885 TCL: atom 1: phi = -0.209801083449 TCL: Center of mass = 12.7111664932 -0.599672516354 -1.91420444399 TCL: atom 1: phi = -0.208927640757 TCL: Center of mass = 12.7139979538 -0.600014997245 -1.91445886142 TCL: atom 1: phi = -0.208209045652 TCL: Center of mass = 12.7168317591 -0.600358693329 -1.91471711026 TCL: atom 1: phi = -0.207067544494 TCL: Center of mass = 12.7196740738 -0.600702558767 -1.91497535748 TCL: atom 1: phi = -0.20607666683 TCL: Center of mass = 12.7225220843 -0.601048368534 -1.91525491114 TCL: atom 1: phi = -0.204791491277 TCL: Center of mass = 12.7253675231 -0.601395929881 -1.91553297583 TCL: atom 1: phi = -0.203786475743 TCL: Center of mass = 12.7282173826 -0.601736834486 -1.91580977826 TCL: atom 1: phi = -0.202578319592 TCL: Center of mass = 12.7310685924 -0.602075471746 -1.91608321631 TCL: atom 1: phi = -0.201735640555 TCL: Center of mass = 12.7339120662 -0.602420925569 -1.9163609313 TCL: atom 1: phi = -0.200739774665 TCL: Center of mass = 12.7367701512 -0.602770193912 -1.916638132 TCL: atom 1: phi = -0.200149222456 TCL: Center of mass = 12.7396161569 -0.60311249769 -1.91690791885 TCL: atom 1: phi = -0.199373492601 TCL: Center of mass = 12.74245784 -0.603443541525 -1.9171808926 TCL: atom 1: phi = -0.198962224046 TCL: Center of mass = 12.7453035718 -0.603765671034 -1.91744918348 TCL: atom 1: phi = -0.198361722762 TCL: Center of mass = 12.7481443269 -0.604092922213 -1.91772612592 TCL: atom 1: phi = -0.198089274519 TCL: Center of mass = 12.7509864522 -0.60442742776 -1.91801294968 TCL: atom 1: phi = -0.197622772663 TCL: Center of mass = 12.753828466 -0.604754408229 -1.9183026075 TCL: atom 1: phi = -0.197519265458 TCL: Center of mass = 12.7566562531 -0.605080692153 -1.9186006824 TCL: atom 1: phi = -0.197197691557 TCL: Center of mass = 12.7595002057 -0.605411089929 -1.91890724322 TCL: atom 1: phi = -0.197176154739 TCL: Center of mass = 12.7623430758 -0.605748668868 -1.91920482595 TCL: atom 1: phi = -0.196896839949 TCL: Center of mass = 12.7651991451 -0.606095758953 -1.91948845998 TCL: atom 1: phi = -0.196887563378 TCL: Center of mass = 12.7680655139 -0.60642679447 -1.91977181207 TCL: atom 1: phi = -0.196627568645 TCL: Center of mass = 12.7709240199 -0.60675941358 -1.9200439338 TCL: atom 1: phi = -0.196675613889 TCL: Center of mass = 12.7738049517 -0.607099309117 -1.92031382855 TCL: atom 1: phi = -0.196513366415 TCL: Center of mass = 12.7766792361 -0.607435078956 -1.92057822615 TCL: atom 1: phi = -0.196705874332 TCL: Center of mass = 12.7795537134 -0.607767707724 -1.9208578171 TCL: atom 1: phi = -0.196751155117 TCL: Center of mass = 12.7824232174 -0.608092085004 -1.92112937343 TCL: atom 1: phi = -0.197202855875 TCL: Center of mass = 12.7852894256 -0.608440684337 -1.92138401031 TCL: atom 1: phi = -0.197651035409 TCL: Center of mass = 12.7881543582 -0.60879385506 -1.92163837975 TCL: atom 1: phi = -0.198510442361 TCL: Center of mass = 12.7910331237 -0.609150877077 -1.92188290599 TCL: atom 1: phi = -0.199306336309 TCL: Center of mass = 12.7939064055 -0.609514340936 -1.92212635245 TCL: atom 1: phi = -0.200438801603 TCL: Center of mass = 12.7967820067 -0.609886058849 -1.92236685133 TCL: atom 1: phi = -0.201466204398 TCL: Center of mass = 12.7996584774 -0.610273923791 -1.92261665528 TCL: atom 1: phi = -0.202815679684 TCL: Center of mass = 12.8025193993 -0.610658296628 -1.92286440765 TCL: atom 1: phi = -0.204036844889 TCL: Center of mass = 12.8053764797 -0.611041035733 -1.92311190848 TCL: atom 1: phi = -0.205436401515 TCL: Center of mass = 12.8082471301 -0.611429850731 -1.92337045069 TCL: atom 1: phi = -0.206609626314 TCL: Center of mass = 12.8111304047 -0.611825580857 -1.92362591975 TCL: atom 1: phi = -0.207870603642 TCL: Center of mass = 12.8140186417 -0.61222558139 -1.92387806489 TCL: atom 1: phi = -0.208846276294 TCL: Center of mass = 12.8169153836 -0.612630399119 -1.92412960827 TCL: atom 1: phi = -0.209787108086 TCL: Center of mass = 12.8198088813 -0.613035180354 -1.924381727 TCL: atom 1: phi = -0.210365259925 TCL: Center of mass = 12.8227048578 -0.613441212313 -1.92463579912 TCL: atom 1: phi = -0.210954722504 TCL: Center of mass = 12.8255963235 -0.613850638705 -1.92488571176 TCL: atom 1: phi = -0.21123875172 TCL: Center of mass = 12.8284975906 -0.614258806664 -1.92512711697 TCL: atom 1: phi = -0.211502401205 TCL: Center of mass = 12.8313894939 -0.614658180744 -1.92537129298 TCL: atom 1: phi = -0.2114711271 TCL: Center of mass = 12.8342749649 -0.615050585864 -1.92561751122 TCL: atom 1: phi = -0.211504872232 TCL: Center of mass = 12.837154615 -0.61545701815 -1.92585959952 TCL: atom 1: phi = -0.211375561941 TCL: Center of mass = 12.8400388781 -0.615866616394 -1.92610772559 TCL: atom 1: phi = -0.211515956121 TCL: Center of mass = 12.8429154046 -0.616267364123 -1.92634655666 TCL: atom 1: phi = -0.211507152579 TCL: Center of mass = 12.8457902029 -0.616672510837 -1.92658805787 TCL: atom 1: phi = -0.211780081316 TCL: Center of mass = 12.8486625634 -0.617070216658 -1.92683270392 TCL: atom 1: phi = -0.211926510115 TCL: Center of mass = 12.851535663 -0.617469942081 -1.92707434053 TCL: atom 1: phi = -0.212352071909 TCL: Center of mass = 12.8544071175 -0.617882942983 -1.92731530978 TCL: atom 1: phi = -0.21271051265 TCL: Center of mass = 12.8572796321 -0.618286058289 -1.92754553 TCL: atom 1: phi = -0.21331888457 TCL: Center of mass = 12.8601694665 -0.618691494193 -1.92776050078 TCL: atom 1: phi = -0.213747254255 TCL: Center of mass = 12.8630574419 -0.619104646231 -1.92798339297 TCL: atom 1: phi = -0.214378320725 TCL: Center of mass = 12.8659493386 -0.619517766182 -1.92819659876 TCL: atom 1: phi = -0.214807692609 TCL: Center of mass = 12.8688519513 -0.619932219927 -1.92841304798 TCL: atom 1: phi = -0.215346924667 TCL: Center of mass = 12.8717577288 -0.620359925765 -1.92862926781 TCL: atom 1: phi = -0.215583279206 TCL: Center of mass = 12.8746597782 -0.620772101444 -1.92884545662 TCL: atom 1: phi = -0.215932695202 TCL: Center of mass = 12.8775607281 -0.621161560671 -1.92905886778 TCL: atom 1: phi = -0.215910869305 TCL: Center of mass = 12.8804493388 -0.62154735776 -1.92926608797 TCL: atom 1: phi = -0.215890806194 TCL: Center of mass = 12.883346338 -0.621937934973 -1.92947444251 TCL: atom 1: phi = -0.215496525607 TCL: Center of mass = 12.8862491494 -0.622323462172 -1.92968715515 TCL: atom 1: phi = -0.215167990793 TCL: Center of mass = 12.8891587935 -0.622712521201 -1.92990964293 TCL: atom 1: phi = -0.214470460439 TCL: Center of mass = 12.8920596087 -0.623094682356 -1.93012505492 TCL: atom 1: phi = -0.213954707654 TCL: Center of mass = 12.894948615 -0.623480725358 -1.93032901148 TCL: atom 1: phi = -0.213275112223 TCL: Center of mass = 12.8978421378 -0.623872696031 -1.93055315873 TCL: atom 1: phi = -0.2130163329 TCL: Center of mass = 12.9007390629 -0.624269127867 -1.93078197029 TCL: atom 1: phi = -0.212754749694 TCL: Center of mass = 12.9036375165 -0.624663699028 -1.93101852762 TCL: atom 1: phi = -0.212979290504 TCL: Center of mass = 12.9065213749 -0.625057158344 -1.93124261818 TCL: atom 1: phi = -0.213180996774 TIMING: 5500 CPU: 934.101, 0.170334/step Wall: 1142.96, 0.208577/step, 0.840104 hours remaining, 20710 kB of memory in use. ENERGY: 5500 397.5338 675.7675 430.5286 44.2666 -2770.5365 -201.3444 0.0000 0.0000 1129.2978 -294.4866 307.7652 -285.5603 -286.6890 309.9643 1186.7422 792.0860 64000.0000 469.2004 466.7554 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5500 WRITING COORDINATES TO DCD FILE AT STEP 5500 WRITING COORDINATES TO RESTART FILE AT STEP 5500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 12.9094025969 -0.625441419786 -1.93146880049 TCL: atom 1: phi = -0.213919362848 TCL: Center of mass = 12.9122824386 -0.625816226299 -1.93169345229 TCL: atom 1: phi = -0.214600953886 TCL: Center of mass = 12.9151601257 -0.626186497235 -1.93192494754 TCL: atom 1: phi = -0.215797939109 TCL: Center of mass = 12.9180439813 -0.626546074545 -1.93215673561 TCL: atom 1: phi = -0.2168477559 TCL: Center of mass = 12.920934987 -0.626912976974 -1.93238869098 TCL: atom 1: phi = -0.218264516812 TCL: Center of mass = 12.9238270507 -0.627273895835 -1.93262592849 TCL: atom 1: phi = -0.219377180729 TCL: Center of mass = 12.9267210473 -0.627637649514 -1.93287003476 TCL: atom 1: phi = -0.220771309992 TCL: Center of mass = 12.9296235525 -0.627999053918 -1.93312326522 TCL: atom 1: phi = -0.221747250011 TCL: Center of mass = 12.9325346519 -0.628361267102 -1.93336661275 TCL: atom 1: phi = -0.222857159088 TCL: Center of mass = 12.9354403294 -0.628722444782 -1.93361700321 TCL: atom 1: phi = -0.2234902864 TCL: Center of mass = 12.9383474335 -0.629075218551 -1.93387029289 TCL: atom 1: phi = -0.22413683152 TCL: Center of mass = 12.9412595979 -0.629422550189 -1.93411357178 TCL: atom 1: phi = -0.224255529732 TCL: Center of mass = 12.9441613708 -0.629766665986 -1.93436079873 TCL: atom 1: phi = -0.22439918743 TCL: Center of mass = 12.9470680788 -0.630105300652 -1.93461273214 TCL: atom 1: phi = -0.224127875176 TCL: Center of mass = 12.9499792536 -0.630447974554 -1.93486268859 TCL: atom 1: phi = -0.224023219011 TCL: Center of mass = 12.952885959 -0.630794156161 -1.93511273385 TCL: atom 1: phi = -0.223563854165 TCL: Center of mass = 12.9557998804 -0.631139194817 -1.93535542106 TCL: atom 1: phi = -0.223362959451 TCL: Center of mass = 12.9587243923 -0.631488874314 -1.93560100572 TCL: atom 1: phi = -0.22291060483 TCL: Center of mass = 12.9616354416 -0.63184218424 -1.93584773172 TCL: atom 1: phi = -0.222777937368 TCL: Center of mass = 12.9645520669 -0.632199639604 -1.93608922405 TCL: atom 1: phi = -0.222411502459 TCL: Center of mass = 12.9674761962 -0.632550569333 -1.93632907722 TCL: atom 1: phi = -0.222515907575 TCL: Center of mass = 12.9704096494 -0.632899588734 -1.93656517398 TCL: atom 1: phi = -0.222457271493 TCL: Center of mass = 12.9733379257 -0.633239481422 -1.93679551554 TCL: atom 1: phi = -0.222910332979 TCL: Center of mass = 12.976267516 -0.633574373324 -1.93703555962 TCL: atom 1: phi = -0.22322435594 TCL: Center of mass = 12.9792025091 -0.633909618549 -1.93728427454 TCL: atom 1: phi = -0.22394050107 TCL: Center of mass = 12.9821416095 -0.634248853804 -1.937524716 TCL: atom 1: phi = -0.224437996348 TCL: Center of mass = 12.9850718005 -0.634603946614 -1.93775425541 TCL: atom 1: phi = -0.225179288121 TCL: Center of mass = 12.9879937248 -0.634960946434 -1.93798616248 TCL: atom 1: phi = -0.225549919214 TCL: Center of mass = 12.9909255099 -0.635320519392 -1.93821721635 TCL: atom 1: phi = -0.226105406632 TCL: Center of mass = 12.9938536451 -0.635672530418 -1.93844175641 TCL: atom 1: phi = -0.226221365937 TCL: Center of mass = 12.9967780016 -0.636013771069 -1.93865969005 TCL: atom 1: phi = -0.226508399379 TCL: Center of mass = 12.9997044523 -0.636365699578 -1.93887471355 TCL: atom 1: phi = -0.226401991802 TCL: Center of mass = 13.002627892 -0.636717745611 -1.93909394727 TCL: atom 1: phi = -0.226411382867 TCL: Center of mass = 13.0055536246 -0.63706366519 -1.93933218405 TCL: atom 1: phi = -0.226048138683 TCL: Center of mass = 13.0084800777 -0.637392224651 -1.93957099319 TCL: atom 1: phi = -0.225838708612 TCL: Center of mass = 13.0114016508 -0.637722519525 -1.93980893679 TCL: atom 1: phi = -0.225309047385 TCL: Center of mass = 13.0143380405 -0.638043297851 -1.94004610303 TCL: atom 1: phi = -0.224987585521 TCL: Center of mass = 13.0172736112 -0.638369033215 -1.94029002104 TCL: atom 1: phi = -0.224436140527 TCL: Center of mass = 13.0201964176 -0.638684118592 -1.94054195985 TCL: atom 1: phi = -0.224204804027 TCL: Center of mass = 13.0231032275 -0.63901104849 -1.94079831783 TCL: atom 1: phi = -0.223823944182 TCL: Center of mass = 13.026012825 -0.639321315721 -1.94107243166 TCL: atom 1: phi = -0.223859643749 TCL: Center of mass = 13.0289124098 -0.639638769577 -1.94134537449 TCL: atom 1: phi = -0.223873438301 TCL: Center of mass = 13.0318105707 -0.639957432554 -1.94161739791 TCL: atom 1: phi = -0.224283889342 TCL: Center of mass = 13.0347063776 -0.640266666101 -1.94187860503 TCL: atom 1: phi = -0.224638072393 TCL: Center of mass = 13.037599024 -0.640568047822 -1.94213333707 TCL: atom 1: phi = -0.22533842285 TCL: Center of mass = 13.0404998351 -0.640863776188 -1.94239036795 TCL: atom 1: phi = -0.225814678385 TCL: Center of mass = 13.0434114971 -0.641162881983 -1.94263330539 TCL: atom 1: phi = -0.226453222496 TCL: Center of mass = 13.0463163451 -0.641454527162 -1.94286747315 TCL: atom 1: phi = -0.226748307132 TCL: Center of mass = 13.0492283312 -0.641745612943 -1.94309619809 TCL: atom 1: phi = -0.227018777472 TCL: Center of mass = 13.0521428198 -0.642030987167 -1.94332943148 TCL: atom 1: phi = -0.226847275219 TCL: Center of mass = 13.0550612266 -0.642309693952 -1.94356642711 TCL: atom 1: phi = -0.226661706714 TCL: Center of mass = 13.0579853569 -0.642582626446 -1.94380557289 TCL: atom 1: phi = -0.226065739868 TCL: Center of mass = 13.0609126549 -0.642858117285 -1.94405022848 TCL: atom 1: phi = -0.225583176706 TCL: Center of mass = 13.0638432379 -0.643136304948 -1.94430695497 TCL: atom 1: phi = -0.224864169793 TCL: Center of mass = 13.0667750413 -0.64340649091 -1.94455166258 TCL: atom 1: phi = -0.2243606826 TCL: Center of mass = 13.0697055715 -0.643688542354 -1.94478802202 TCL: atom 1: phi = -0.22360370033 TCL: Center of mass = 13.072655746 -0.643965879795 -1.94501819532 TCL: atom 1: phi = -0.223061449545 TCL: Center of mass = 13.0756111409 -0.644238893642 -1.94524378736 TCL: atom 1: phi = -0.222303930633 TCL: Center of mass = 13.0785700426 -0.644504069384 -1.94546962681 TCL: atom 1: phi = -0.221752149983 TCL: Center of mass = 13.0815197159 -0.644769251122 -1.94569835848 TCL: atom 1: phi = -0.221014872933 TCL: Center of mass = 13.08446937 -0.645048795853 -1.94592488016 TCL: atom 1: phi = -0.220593109173 TCL: Center of mass = 13.08741796 -0.645327835974 -1.94615499471 TCL: atom 1: phi = -0.220129112156 TCL: Center of mass = 13.0903679815 -0.645606030375 -1.94638094051 TCL: atom 1: phi = -0.220063488247 TCL: Center of mass = 13.0933318653 -0.64589089262 -1.94660678728 TCL: atom 1: phi = -0.220011895111 TCL: Center of mass = 13.0962951669 -0.646174510083 -1.94682536024 TCL: atom 1: phi = -0.220357902312 TCL: Center of mass = 13.0992602872 -0.646471504202 -1.94703520143 TCL: atom 1: phi = -0.220589426952 TCL: Center of mass = 13.102230271 -0.646765246989 -1.94724026471 TCL: atom 1: phi = -0.221033910576 TCL: Center of mass = 13.105190182 -0.647058380886 -1.9474585279 TCL: atom 1: phi = -0.221204966169 TCL: Center of mass = 13.1081615099 -0.647352282051 -1.94767707924 TCL: atom 1: phi = -0.221492539588 TCL: Center of mass = 13.1111392495 -0.647649510197 -1.94789973286 TCL: atom 1: phi = -0.221403841504 TCL: Center of mass = 13.1141239341 -0.647946413388 -1.94811862355 TCL: atom 1: phi = -0.221381468967 TCL: Center of mass = 13.11711748 -0.648257774935 -1.94832385527 TCL: atom 1: phi = -0.221099239825 TCL: Center of mass = 13.1201048495 -0.648563180214 -1.94852993942 TCL: atom 1: phi = -0.221030807072 TCL: Center of mass = 13.1230914526 -0.648863417041 -1.94874196405 TCL: atom 1: phi = -0.220788637589 TCL: Center of mass = 13.1260726232 -0.649161841858 -1.94895447087 TCL: atom 1: phi = -0.220858937798 TCL: Center of mass = 13.1290528162 -0.649458395691 -1.94918134525 TCL: atom 1: phi = -0.220831516056 TCL: Center of mass = 13.1320393897 -0.649735727455 -1.94940773641 TCL: atom 1: phi = -0.221124678334 TCL: Center of mass = 13.1350292305 -0.650010560648 -1.94963835275 TCL: atom 1: phi = -0.22128647615 TCL: Center of mass = 13.1380117794 -0.650282254776 -1.94986036886 TCL: atom 1: phi = -0.22175898342 TCL: Center of mass = 13.1409999684 -0.650549617183 -1.95009383116 TCL: atom 1: phi = -0.222122720224 TCL: Center of mass = 13.1439761429 -0.650830690734 -1.95031968825 TCL: atom 1: phi = -0.222794513965 TCL: Center of mass = 13.1469542394 -0.651120585182 -1.95054934414 TCL: atom 1: phi = -0.223430433125 TCL: Center of mass = 13.1499359071 -0.651402371073 -1.95079085765 TCL: atom 1: phi = -0.22447745088 TCL: Center of mass = 13.1529119129 -0.651683450931 -1.95102695416 TCL: atom 1: phi = -0.22551083277 TCL: Center of mass = 13.1558892472 -0.651960372489 -1.95127224113 TCL: atom 1: phi = -0.22696750349 TCL: Center of mass = 13.1588547001 -0.65223939862 -1.95150809944 TCL: atom 1: phi = -0.22835693688 TCL: Center of mass = 13.1618105138 -0.652514537535 -1.95174498807 TCL: atom 1: phi = -0.229884568791 TCL: Center of mass = 13.1647668438 -0.652790951748 -1.95196382966 TCL: atom 1: phi = -0.231070575009 TCL: Center of mass = 13.1677186179 -0.653066505603 -1.95218921078 TCL: atom 1: phi = -0.232141154013 TCL: Center of mass = 13.1706811369 -0.653340971774 -1.95242646208 TCL: atom 1: phi = -0.232682257663 TCL: Center of mass = 13.1736400949 -0.653618514828 -1.9526537639 TCL: atom 1: phi = -0.232988524895 TCL: Center of mass = 13.1765990882 -0.653892629967 -1.9528822498 TCL: atom 1: phi = -0.232774289725 TCL: Center of mass = 13.1795769328 -0.654182008607 -1.95311699242 TCL: atom 1: phi = -0.232407053327 TCL: Center of mass = 13.1825467657 -0.654455011387 -1.95335278506 TCL: atom 1: phi = -0.231722274639 TCL: Center of mass = 13.1855106909 -0.654721553624 -1.95357627807 TCL: atom 1: phi = -0.231075461929 TCL: Center of mass = 13.1884741641 -0.654981566083 -1.95379666753 TCL: atom 1: phi = -0.230240910906 TCL: Center of mass = 13.1914382715 -0.655241985455 -1.95401524136 TCL: atom 1: phi = -0.229632653463 TCL: Center of mass = 13.1944180458 -0.655518671002 -1.95423393122 TCL: atom 1: phi = -0.228859579731 TCL: Center of mass = 13.1974029724 -0.655799170277 -1.9544598763 TCL: atom 1: phi = -0.228339845216 TCL: Center of mass = 13.2003751103 -0.656082752444 -1.95467587231 TCL: atom 1: phi = -0.227709363589 TIMING: 5600 CPU: 951.161, 0.170604/step Wall: 1163.85, 0.208873/step, 0.835491 hours remaining, 20716 kB of memory in use. ENERGY: 5600 386.8936 656.5170 415.8279 47.3600 -2773.3522 -184.2850 0.0000 0.0000 1167.9419 -283.0968 318.2968 -274.4297 -274.3891 313.1286 783.3500 768.5052 64000.0000 278.8268 288.4332 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5600 WRITING COORDINATES TO DCD FILE AT STEP 5600 WRITING COORDINATES TO RESTART FILE AT STEP 5600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.2033443846 -0.65636696277 -1.95488673793 TCL: atom 1: phi = -0.227332454064 TCL: Center of mass = 13.2063086481 -0.656663066369 -1.95509158148 TCL: atom 1: phi = -0.226945557829 TCL: Center of mass = 13.2092877977 -0.656946134498 -1.95529095317 TCL: atom 1: phi = -0.226935252236 TCL: Center of mass = 13.2122757532 -0.657230047958 -1.95549817878 TCL: atom 1: phi = -0.226939824372 TCL: Center of mass = 13.2152593385 -0.65752182224 -1.95569087828 TCL: atom 1: phi = -0.22733558448 TCL: Center of mass = 13.2182406185 -0.657820267743 -1.95589275047 TCL: atom 1: phi = -0.22776395479 TCL: Center of mass = 13.2212100439 -0.658134230255 -1.9561025906 TCL: atom 1: phi = -0.228527973904 TCL: Center of mass = 13.2241853311 -0.65844863876 -1.95632349071 TCL: atom 1: phi = -0.229140919713 TCL: Center of mass = 13.2271512851 -0.658757933795 -1.95655566961 TCL: atom 1: phi = -0.229858370291 TCL: Center of mass = 13.2301067271 -0.659075561412 -1.9567892268 TCL: atom 1: phi = -0.230172499941 TCL: Center of mass = 13.2330517547 -0.659389939754 -1.95702631597 TCL: atom 1: phi = -0.230347059455 TCL: Center of mass = 13.2360014813 -0.659709189545 -1.95726477254 TCL: atom 1: phi = -0.2300704436 TCL: Center of mass = 13.2389642754 -0.660019442693 -1.95750728039 TCL: atom 1: phi = -0.22978921616 TCL: Center of mass = 13.2419361498 -0.660339035212 -1.95775458453 TCL: atom 1: phi = -0.229174649434 TCL: Center of mass = 13.2448850876 -0.660646643972 -1.95800950557 TCL: atom 1: phi = -0.228751640939 TCL: Center of mass = 13.2478285382 -0.660949549137 -1.95826248968 TCL: atom 1: phi = -0.228165306765 TCL: Center of mass = 13.2507827144 -0.661255542526 -1.95851847727 TCL: atom 1: phi = -0.227877648659 TCL: Center of mass = 13.2537341152 -0.661557361286 -1.95877682845 TCL: atom 1: phi = -0.22748035914 TCL: Center of mass = 13.2566948166 -0.661854627882 -1.95903481321 TCL: atom 1: phi = -0.227451627534 TCL: Center of mass = 13.2596546541 -0.66215612161 -1.95930164963 TCL: atom 1: phi = -0.227244964915 TCL: Center of mass = 13.2626150306 -0.662449936141 -1.95956844152 TCL: atom 1: phi = -0.227307475572 TCL: Center of mass = 13.2655815378 -0.662738698057 -1.95982843949 TCL: atom 1: phi = -0.227156553503 TCL: Center of mass = 13.2685485577 -0.663006820735 -1.96009201592 TCL: atom 1: phi = -0.227199137105 TCL: Center of mass = 13.2715215836 -0.66327407638 -1.96036387823 TCL: atom 1: phi = -0.227065706059 TCL: Center of mass = 13.2744967717 -0.66354766866 -1.96063958895 TCL: atom 1: phi = -0.227227907943 TCL: Center of mass = 13.2774756773 -0.663823054175 -1.96092344693 TCL: atom 1: phi = -0.227212863331 TCL: Center of mass = 13.2804667638 -0.664094268646 -1.96121371179 TCL: atom 1: phi = -0.227483730595 TCL: Center of mass = 13.2834643076 -0.664358071868 -1.9615002787 TCL: atom 1: phi = -0.227451908445 TCL: Center of mass = 13.2864639111 -0.664621706644 -1.96179126957 TCL: atom 1: phi = -0.227652558148 TCL: Center of mass = 13.2894521912 -0.664882697868 -1.96208084948 TCL: atom 1: phi = -0.227401356954 TCL: Center of mass = 13.29245781 -0.665129261709 -1.96237186018 TCL: atom 1: phi = -0.227243008589 TCL: Center of mass = 13.2954694598 -0.665380407656 -1.96266582629 TCL: atom 1: phi = -0.226562717081 TCL: Center of mass = 13.2984747539 -0.665630677625 -1.96296520921 TCL: atom 1: phi = -0.226010159933 TCL: Center of mass = 13.3014865943 -0.665881453202 -1.96325664877 TCL: atom 1: phi = -0.225106735393 TCL: Center of mass = 13.3044836849 -0.66612503665 -1.96353368838 TCL: atom 1: phi = -0.22452310377 TCL: Center of mass = 13.3074750553 -0.666374165221 -1.96380917545 TCL: atom 1: phi = -0.223695053029 TCL: Center of mass = 13.3104695984 -0.666628051486 -1.96407174075 TCL: atom 1: phi = -0.223416673227 TCL: Center of mass = 13.3134552842 -0.66686603689 -1.96433888094 TCL: atom 1: phi = -0.223021966972 TCL: Center of mass = 13.3164366428 -0.66710930331 -1.96460415934 TCL: atom 1: phi = -0.223241565216 TCL: Center of mass = 13.3194243087 -0.667359470648 -1.96487776045 TCL: atom 1: phi = -0.223275205429 TCL: Center of mass = 13.3223985785 -0.667627922518 -1.96515060642 TCL: atom 1: phi = -0.223827124916 TCL: Center of mass = 13.325376431 -0.667894613597 -1.96543067009 TCL: atom 1: phi = -0.224133373214 TCL: Center of mass = 13.328357822 -0.668152458227 -1.96571981516 TCL: atom 1: phi = -0.224880948258 TCL: Center of mass = 13.3313446603 -0.668415592682 -1.96600699701 TCL: atom 1: phi = -0.22528966966 TCL: Center of mass = 13.3343201244 -0.668704061533 -1.96629191158 TCL: atom 1: phi = -0.22603764557 TCL: Center of mass = 13.3372925637 -0.66899228609 -1.96657306223 TCL: atom 1: phi = -0.22648297125 TCL: Center of mass = 13.3402621304 -0.66927604091 -1.96684374711 TCL: atom 1: phi = -0.227234121573 TCL: Center of mass = 13.3432343717 -0.66956060135 -1.9671076193 TCL: atom 1: phi = -0.227602989244 TCL: Center of mass = 13.3462139845 -0.669851579262 -1.96736366075 TCL: atom 1: phi = -0.228098880211 TCL: Center of mass = 13.3492035075 -0.670151433024 -1.9676276653 TCL: atom 1: phi = -0.227968821983 TCL: Center of mass = 13.3521849113 -0.670448796159 -1.96788378084 TCL: atom 1: phi = -0.227760154758 TCL: Center of mass = 13.3551632399 -0.67074004361 -1.96813939853 TCL: atom 1: phi = -0.226867036241 TCL: Center of mass = 13.3581393459 -0.671032915856 -1.96839139812 TCL: atom 1: phi = -0.225876635395 TCL: Center of mass = 13.3611279036 -0.67132338914 -1.96864896795 TCL: atom 1: phi = -0.224310773784 TCL: Center of mass = 13.3641127348 -0.671606582772 -1.96892119281 TCL: atom 1: phi = -0.222865644252 TCL: Center of mass = 13.3670955044 -0.671892021992 -1.9691932886 TCL: atom 1: phi = -0.221064082901 TCL: Center of mass = 13.3700806772 -0.672185230888 -1.96947269641 TCL: atom 1: phi = -0.219672585753 TCL: Center of mass = 13.3730778531 -0.672480242327 -1.96974347367 TCL: atom 1: phi = -0.218038904049 TCL: Center of mass = 13.3760844204 -0.672776130787 -1.97001189853 TCL: atom 1: phi = -0.216881497778 TCL: Center of mass = 13.3790812943 -0.67307746738 -1.97028384343 TCL: atom 1: phi = -0.21545751835 TCL: Center of mass = 13.3820788468 -0.673372261145 -1.9705527091 TCL: atom 1: phi = -0.214592592157 TCL: Center of mass = 13.3850606861 -0.673673246788 -1.97082631811 TCL: atom 1: phi = -0.21345576974 TCL: Center of mass = 13.3880555125 -0.673985710583 -1.97109044399 TCL: atom 1: phi = -0.212828137788 TCL: Center of mass = 13.3910419746 -0.674281221715 -1.97135255454 TCL: atom 1: phi = -0.211934111397 TCL: Center of mass = 13.394038374 -0.674571202434 -1.9716155418 TCL: atom 1: phi = -0.211626373797 TCL: Center of mass = 13.3970258866 -0.674850554798 -1.971878999 TCL: atom 1: phi = -0.211081424479 TCL: Center of mass = 13.4000282055 -0.675148072133 -1.97214927071 TCL: atom 1: phi = -0.211130748518 TCL: Center of mass = 13.4030268286 -0.675442219926 -1.97241856757 TCL: atom 1: phi = -0.21091025616 TCL: Center of mass = 13.4060165238 -0.675724333149 -1.97269268011 TCL: atom 1: phi = -0.211192224802 TCL: Center of mass = 13.4090165549 -0.676010108462 -1.97297194505 TCL: atom 1: phi = -0.211119919616 TCL: Center of mass = 13.4120116855 -0.67630300001 -1.97325139684 TCL: atom 1: phi = -0.211431170144 TCL: Center of mass = 13.4149996028 -0.676595928062 -1.97352868161 TCL: atom 1: phi = -0.211233091894 TCL: Center of mass = 13.4179775278 -0.676882340125 -1.97380662585 TCL: atom 1: phi = -0.211347470099 TCL: Center of mass = 13.4209662809 -0.677169657904 -1.97407108952 TCL: atom 1: phi = -0.211052010261 TCL: Center of mass = 13.4239638536 -0.677459496113 -1.97432758476 TCL: atom 1: phi = -0.211142274013 TCL: Center of mass = 13.4269611265 -0.677741147327 -1.97458452912 TCL: atom 1: phi = -0.210985197598 TCL: Center of mass = 13.4299623626 -0.678022212547 -1.9748300781 TCL: atom 1: phi = -0.211419692271 TCL: Center of mass = 13.4329577486 -0.678311220853 -1.97508554588 TCL: atom 1: phi = -0.211667912276 TCL: Center of mass = 13.4359603887 -0.678610911282 -1.97533893674 TCL: atom 1: phi = -0.212497500535 TCL: Center of mass = 13.4389611084 -0.678919380831 -1.97559016072 TCL: atom 1: phi = -0.213165157542 TCL: Center of mass = 13.441967843 -0.679228164117 -1.97584531106 TCL: atom 1: phi = -0.214314744289 TCL: Center of mass = 13.444986361 -0.679528850713 -1.97610082313 TCL: atom 1: phi = -0.215222734797 TCL: Center of mass = 13.4480021346 -0.679828397098 -1.97635825067 TCL: atom 1: phi = -0.216385365406 TCL: Center of mass = 13.4510148972 -0.680129660518 -1.97662043304 TCL: atom 1: phi = -0.21716498755 TCL: Center of mass = 13.4540229141 -0.680441512815 -1.97687586823 TCL: atom 1: phi = -0.218113464051 TCL: Center of mass = 13.4570388645 -0.680746443695 -1.97713836858 TCL: atom 1: phi = -0.218608535032 TCL: Center of mass = 13.4600604867 -0.681046399694 -1.97740094716 TCL: atom 1: phi = -0.219236528332 TCL: Center of mass = 13.4630891803 -0.681339337806 -1.97766989269 TCL: atom 1: phi = -0.21939862501 TCL: Center of mass = 13.4661161797 -0.68162469451 -1.97793573713 TCL: atom 1: phi = -0.219673009257 TCL: Center of mass = 13.46913862 -0.681906921516 -1.97820098657 TCL: atom 1: phi = -0.219449615762 TCL: Center of mass = 13.4721685459 -0.682182258521 -1.9784649468 TCL: atom 1: phi = -0.219229870392 TCL: Center of mass = 13.475197854 -0.68246213254 -1.97873357466 TCL: atom 1: phi = -0.218532893719 TCL: Center of mass = 13.4782118707 -0.682746905663 -1.97901067568 TCL: atom 1: phi = -0.217833145756 TCL: Center of mass = 13.4812270975 -0.683034525903 -1.9792859293 TCL: atom 1: phi = -0.216598022357 TCL: Center of mass = 13.4842401104 -0.683314572191 -1.97956380685 TCL: atom 1: phi = -0.21543458308 TCL: Center of mass = 13.4872502167 -0.68359071741 -1.97984503365 TCL: atom 1: phi = -0.213946803718 TCL: Center of mass = 13.4902522257 -0.683852773009 -1.98011391621 TCL: atom 1: phi = -0.212700453139 TCL: Center of mass = 13.4932551171 -0.684114790018 -1.98038337119 TCL: atom 1: phi = -0.211323970416 TCL: Center of mass = 13.4962493912 -0.684386515559 -1.98065210453 TCL: atom 1: phi = -0.210284058883 TCL: Center of mass = 13.4992271684 -0.684665640529 -1.98091046468 TCL: atom 1: phi = -0.209193876753 TIMING: 5700 CPU: 968.228, 0.170664/step Wall: 1184.75, 0.209015/step, 0.830254 hours remaining, 20778 kB of memory in use. ENERGY: 5700 387.6177 693.1077 414.2789 40.5333 -2764.1911 -203.3062 0.0000 0.0000 1148.3687 -283.5909 312.9626 -275.1150 -273.9147 313.4227 -67.9305 35.1154 64000.0000 408.5878 415.1289 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5700 WRITING COORDINATES TO DCD FILE AT STEP 5700 WRITING COORDINATES TO RESTART FILE AT STEP 5700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.5022147595 -0.684945768096 -1.98118391604 TCL: atom 1: phi = -0.208473415808 TCL: Center of mass = 13.5051927885 -0.685231192247 -1.98145250298 TCL: atom 1: phi = -0.207704724566 TCL: Center of mass = 13.5081805477 -0.685515330235 -1.98173434154 TCL: atom 1: phi = -0.207267123846 TCL: Center of mass = 13.5111554855 -0.685808396141 -1.98201367886 TCL: atom 1: phi = -0.206728921999 TCL: Center of mass = 13.5141351541 -0.686107234907 -1.98231011597 TCL: atom 1: phi = -0.206419881381 TCL: Center of mass = 13.5171121695 -0.686399192681 -1.98259679451 TCL: atom 1: phi = -0.20591549982 TCL: Center of mass = 13.5200958227 -0.686695876271 -1.98289855834 TCL: atom 1: phi = -0.205637687262 TCL: Center of mass = 13.5230870898 -0.686983936579 -1.98320465171 TCL: atom 1: phi = -0.205156648329 TCL: Center of mass = 13.5260727993 -0.687272679702 -1.9835151312 TCL: atom 1: phi = -0.204918521023 TCL: Center of mass = 13.5290520838 -0.687553309592 -1.98382387035 TCL: atom 1: phi = -0.204553084228 TCL: Center of mass = 13.5320385769 -0.68783516066 -1.98413706552 TCL: atom 1: phi = -0.204419061121 TCL: Center of mass = 13.535014877 -0.688119862204 -1.98444720331 TCL: atom 1: phi = -0.20411607891 TCL: Center of mass = 13.537986519 -0.688396464108 -1.98477081378 TCL: atom 1: phi = -0.203943059721 TCL: Center of mass = 13.5409542206 -0.688665687534 -1.98510596387 TCL: atom 1: phi = -0.203531381999 TCL: Center of mass = 13.5439317201 -0.688926901198 -1.98544074513 TCL: atom 1: phi = -0.203271139414 TCL: Center of mass = 13.5469142921 -0.689180059868 -1.98578135245 TCL: atom 1: phi = -0.202809388416 TCL: Center of mass = 13.5499145203 -0.689422811153 -1.98612136813 TCL: atom 1: phi = -0.202478697294 TCL: Center of mass = 13.5529153326 -0.689666408078 -1.98645853001 TCL: atom 1: phi = -0.202026347999 TCL: Center of mass = 13.5559220669 -0.689911185076 -1.9867965348 TCL: atom 1: phi = -0.201828998509 TCL: Center of mass = 13.5589412996 -0.6901556558 -1.98712494861 TCL: atom 1: phi = -0.201564357423 TCL: Center of mass = 13.5619643534 -0.690397797974 -1.9874616745 TCL: atom 1: phi = -0.201652691399 TCL: Center of mass = 13.5649791656 -0.690641898841 -1.98779509567 TCL: atom 1: phi = -0.20171545299 TCL: Center of mass = 13.5679947207 -0.690883815514 -1.98813684501 TCL: atom 1: phi = -0.2019827556 TCL: Center of mass = 13.5710145332 -0.691125385979 -1.98848365874 TCL: atom 1: phi = -0.202023766187 TCL: Center of mass = 13.5740410692 -0.691354243921 -1.98883556856 TCL: atom 1: phi = -0.202148514517 TCL: Center of mass = 13.5770720065 -0.691579535353 -1.98918995205 TCL: atom 1: phi = -0.201828087121 TCL: Center of mass = 13.5800995907 -0.691808482371 -1.98953929484 TCL: atom 1: phi = -0.201475563707 TCL: Center of mass = 13.5831231751 -0.692029086624 -1.98989028361 TCL: atom 1: phi = -0.200646951365 TCL: Center of mass = 13.5861465623 -0.692252853117 -1.99024439132 TCL: atom 1: phi = -0.199902095572 TCL: Center of mass = 13.5891715564 -0.692483159693 -1.99059841758 TCL: atom 1: phi = -0.198899090021 TCL: Center of mass = 13.5922053453 -0.692723531525 -1.99094811093 TCL: atom 1: phi = -0.198095801503 TCL: Center of mass = 13.5952353296 -0.692959671427 -1.99129934313 TCL: atom 1: phi = -0.197116456158 TCL: Center of mass = 13.5982626232 -0.693201007861 -1.99164797859 TCL: atom 1: phi = -0.196422565313 TCL: Center of mass = 13.6012879565 -0.693432499077 -1.99199595833 TCL: atom 1: phi = -0.195534989852 TCL: Center of mass = 13.6043216136 -0.693663666841 -1.99234104687 TCL: atom 1: phi = -0.19485387508 TCL: Center of mass = 13.6073608184 -0.693887757139 -1.99269586229 TCL: atom 1: phi = -0.193961195321 TCL: Center of mass = 13.6103862908 -0.694102088548 -1.99306118614 TCL: atom 1: phi = -0.193366367966 TCL: Center of mass = 13.6134103943 -0.694309808574 -1.99342565023 TCL: atom 1: phi = -0.192656757436 TCL: Center of mass = 13.6164250791 -0.694514600367 -1.9937956866 TCL: atom 1: phi = -0.19236454525 TCL: Center of mass = 13.6194328975 -0.69471367285 -1.99416116792 TCL: atom 1: phi = -0.192115591908 TCL: Center of mass = 13.6224554435 -0.694919061248 -1.99451189157 TCL: atom 1: phi = -0.192370219546 TCL: Center of mass = 13.6254683978 -0.695129956691 -1.99485939384 TCL: atom 1: phi = -0.192584243311 TCL: Center of mass = 13.628482363 -0.69534282541 -1.99520680899 TCL: atom 1: phi = -0.193198351999 TCL: Center of mass = 13.6314937016 -0.695557263774 -1.99554869167 TCL: atom 1: phi = -0.193687900743 TCL: Center of mass = 13.6345102208 -0.695775290116 -1.99588752815 TCL: atom 1: phi = -0.19441394956 TCL: Center of mass = 13.6375256094 -0.695981820226 -1.99622020043 TCL: atom 1: phi = -0.194819411917 TCL: Center of mass = 13.6405469495 -0.696191206572 -1.99654613686 TCL: atom 1: phi = -0.195292701935 TCL: Center of mass = 13.6435644893 -0.696408180594 -1.99686266944 TCL: atom 1: phi = -0.195355160627 TCL: Center of mass = 13.6465851239 -0.696626838519 -1.9971811479 TCL: atom 1: phi = -0.195533998122 TCL: Center of mass = 13.6496042767 -0.696840572911 -1.99751434479 TCL: atom 1: phi = -0.195478443177 TCL: Center of mass = 13.6526179807 -0.697058283149 -1.99784128847 TCL: atom 1: phi = -0.195692063338 TCL: Center of mass = 13.6556290082 -0.69727050176 -1.99817234084 TCL: atom 1: phi = -0.195768148776 TCL: Center of mass = 13.6586451064 -0.697475614109 -1.99849602449 TCL: atom 1: phi = -0.196186659188 TCL: Center of mass = 13.661670074 -0.69767839236 -1.99883074174 TCL: atom 1: phi = -0.196377147187 TCL: Center of mass = 13.6646899062 -0.697876083772 -1.99916368209 TCL: atom 1: phi = -0.196821383159 TCL: Center of mass = 13.6677170004 -0.698060715216 -1.99949567797 TCL: atom 1: phi = -0.196980865246 TCL: Center of mass = 13.6707385554 -0.698240304115 -1.99982260977 TCL: atom 1: phi = -0.197342983003 TCL: Center of mass = 13.6737537033 -0.698412709649 -2.00014277399 TCL: atom 1: phi = -0.197544247182 TCL: Center of mass = 13.6767759589 -0.698598710505 -2.0004611447 TCL: atom 1: phi = -0.197983095758 TCL: Center of mass = 13.679802954 -0.69879424641 -2.00078591587 TCL: atom 1: phi = -0.198234310345 TCL: Center of mass = 13.6828159901 -0.69899266928 -2.0011116011 TCL: atom 1: phi = -0.198843007327 TCL: Center of mass = 13.6858308705 -0.699193376146 -2.00143607854 TCL: atom 1: phi = -0.199296289483 TCL: Center of mass = 13.6888429377 -0.699385185365 -2.00176147217 TCL: atom 1: phi = -0.200054358315 TCL: Center of mass = 13.6918583917 -0.699583753985 -2.00208035834 TCL: atom 1: phi = -0.200528814241 TCL: Center of mass = 13.6948780038 -0.699790280825 -2.00239710851 TCL: atom 1: phi = -0.201118292593 TCL: Center of mass = 13.6978983187 -0.700021657734 -2.00272917587 TCL: atom 1: phi = -0.201286916082 TCL: Center of mass = 13.7009231278 -0.700251119679 -2.00305818138 TCL: atom 1: phi = -0.201403504064 TCL: Center of mass = 13.703938903 -0.700483261322 -2.00338641115 TCL: atom 1: phi = -0.200967205586 TCL: Center of mass = 13.7069400673 -0.700721705892 -2.0037131383 TCL: atom 1: phi = -0.200476131095 TCL: Center of mass = 13.7099438963 -0.700957907505 -2.00402640532 TCL: atom 1: phi = -0.199534441031 TCL: Center of mass = 13.7129364074 -0.701183239247 -2.00433714447 TCL: atom 1: phi = -0.198741846677 TCL: Center of mass = 13.7159385014 -0.701408965807 -2.00464480998 TCL: atom 1: phi = -0.19766611642 TCL: Center of mass = 13.7189377964 -0.701651978955 -2.00495015433 TCL: atom 1: phi = -0.196922043901 TCL: Center of mass = 13.7219376992 -0.701897448451 -2.00525568749 TCL: atom 1: phi = -0.195987503657 TCL: Center of mass = 13.7249507132 -0.702145634393 -2.00555890329 TCL: atom 1: phi = -0.195470945466 TCL: Center of mass = 13.727971028 -0.702391694928 -2.00585946366 TCL: atom 1: phi = -0.194782572523 TCL: Center of mass = 13.7309952739 -0.702643027181 -2.00615120553 TCL: atom 1: phi = -0.194545431024 TCL: Center of mass = 13.7340254194 -0.70288537381 -2.00644717053 TCL: atom 1: phi = -0.194049981611 TCL: Center of mass = 13.7370532386 -0.703139076764 -2.00674270637 TCL: atom 1: phi = -0.194025451337 TCL: Center of mass = 13.7400959399 -0.703384573466 -2.00703452607 TCL: atom 1: phi = -0.193845215503 TCL: Center of mass = 13.7431354263 -0.703637566749 -2.00732815037 TCL: atom 1: phi = -0.194275149992 TCL: Center of mass = 13.7461697463 -0.703888372149 -2.0076176822 TCL: atom 1: phi = -0.194626888435 TCL: Center of mass = 13.7492050898 -0.704137104567 -2.00790726606 TCL: atom 1: phi = -0.195526658665 TCL: Center of mass = 13.7522439904 -0.704383416897 -2.00819662826 TCL: atom 1: phi = -0.196193964069 TCL: Center of mass = 13.7552896899 -0.704628393498 -2.00849054557 TCL: atom 1: phi = -0.197178096039 TCL: Center of mass = 13.758335806 -0.704870498127 -2.00879191597 TCL: atom 1: phi = -0.197653124186 TCL: Center of mass = 13.7613889882 -0.705096898566 -2.00909406096 TCL: atom 1: phi = -0.198159992456 TCL: Center of mass = 13.7644433299 -0.705321165619 -2.00939914149 TCL: atom 1: phi = -0.197998649444 TCL: Center of mass = 13.7674977164 -0.705540766462 -2.0097068379 TCL: atom 1: phi = -0.197819680454 TCL: Center of mass = 13.770560456 -0.705755127328 -2.01002089468 TCL: atom 1: phi = -0.19709415862 TCL: Center of mass = 13.7736320922 -0.705971543461 -2.01033136605 TCL: atom 1: phi = -0.196505372453 TCL: Center of mass = 13.7767093262 -0.706191019856 -2.01061803383 TCL: atom 1: phi = -0.195620897812 TCL: Center of mass = 13.7797914631 -0.706403582 -2.01089216923 TCL: atom 1: phi = -0.195160947894 TCL: Center of mass = 13.7828709557 -0.706611506324 -2.01115965054 TCL: atom 1: phi = -0.194468122298 TCL: Center of mass = 13.7859485671 -0.706823627967 -2.01142165948 TCL: atom 1: phi = -0.194181570914 TCL: Center of mass = 13.78903569 -0.707038458577 -2.01168697902 TCL: atom 1: phi = -0.193587411992 TCL: Center of mass = 13.7921255137 -0.707244839707 -2.01195106937 TCL: atom 1: phi = -0.193339590352 TCL: Center of mass = 13.7952190612 -0.707444558572 -2.01219895375 TCL: atom 1: phi = -0.19277923195 TCL: Center of mass = 13.7983219344 -0.707654176638 -2.01244874225 TCL: atom 1: phi = -0.192588561498 TCL: Center of mass = 13.8014305935 -0.707859530342 -2.01269793991 TCL: atom 1: phi = -0.192170315795 TIMING: 5800 CPU: 985.286, 0.170584/step Wall: 1205.64, 0.208872/step, 0.823884 hours remaining, 20838 kB of memory in use. ENERGY: 5800 413.6366 689.1862 419.5767 50.0560 -2773.5455 -208.4100 0.0000 0.0000 1132.9881 -276.5119 308.7710 -267.5521 -268.2310 314.5618 497.1591 321.1177 64000.0000 232.8658 230.5276 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5800 WRITING COORDINATES TO DCD FILE AT STEP 5800 WRITING COORDINATES TO RESTART FILE AT STEP 5800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 13.8045490386 -0.708066106922 -2.01295051615 TCL: atom 1: phi = -0.192281204343 TCL: Center of mass = 13.8076725659 -0.708275859381 -2.0131832572 TCL: atom 1: phi = -0.19233688888 TCL: Center of mass = 13.8107987972 -0.708485307425 -2.01339980875 TCL: atom 1: phi = -0.192967892253 TCL: Center of mass = 13.8139257945 -0.708705560139 -2.01361390746 TCL: atom 1: phi = -0.193434554666 TCL: Center of mass = 13.8170659438 -0.708933354927 -2.01382716247 TCL: atom 1: phi = -0.194255475291 TCL: Center of mass = 13.8202016904 -0.709161791477 -2.01403529103 TCL: atom 1: phi = -0.194660336243 TCL: Center of mass = 13.823340513 -0.709400315747 -2.01423836899 TCL: atom 1: phi = -0.195158272915 TCL: Center of mass = 13.8264712251 -0.709642186284 -2.01444674237 TCL: atom 1: phi = -0.1951086276 TCL: Center of mass = 13.8296038627 -0.709901038741 -2.01466071619 TCL: atom 1: phi = -0.195045752404 TCL: Center of mass = 13.8327465328 -0.710151675981 -2.01486366023 TCL: atom 1: phi = -0.194441484021 TCL: Center of mass = 13.8359024737 -0.710414598019 -2.01506540272 TCL: atom 1: phi = -0.194018637158 TCL: Center of mass = 13.839052709 -0.710679614152 -2.01525914219 TCL: atom 1: phi = -0.193443343229 TCL: Center of mass = 13.8422008399 -0.710939682258 -2.01544348433 TCL: atom 1: phi = -0.19332159286 TCL: Center of mass = 13.8453633339 -0.711186970645 -2.01562512734 TCL: atom 1: phi = -0.193077422898 TCL: Center of mass = 13.8485312229 -0.711428405422 -2.01581161763 TCL: atom 1: phi = -0.193235579821 TCL: Center of mass = 13.8517091998 -0.711669757097 -2.01599389228 TCL: atom 1: phi = -0.193186493228 TCL: Center of mass = 13.8548944292 -0.711909739372 -2.01618542425 TCL: atom 1: phi = -0.193388309692 TCL: Center of mass = 13.858061853 -0.712149811854 -2.01638646289 TCL: atom 1: phi = -0.193280594616 TCL: Center of mass = 13.8612330485 -0.712388178135 -2.01659372356 TCL: atom 1: phi = -0.193353946636 TCL: Center of mass = 13.864401904 -0.712617690556 -2.01679610938 TCL: atom 1: phi = -0.193149963944 TCL: Center of mass = 13.8675700053 -0.712843335948 -2.01699732405 TCL: atom 1: phi = -0.19327675079 TCL: Center of mass = 13.8707225084 -0.713074309329 -2.0171959528 TCL: atom 1: phi = -0.19331093129 TCL: Center of mass = 13.873874251 -0.713296510733 -2.01740279295 TCL: atom 1: phi = -0.193684712653 TCL: Center of mass = 13.8770333356 -0.713523600272 -2.01760782309 TCL: atom 1: phi = -0.193874411595 TCL: Center of mass = 13.8801877421 -0.713738267805 -2.01780801869 TCL: atom 1: phi = -0.194333212384 TCL: Center of mass = 13.883341219 -0.713947987207 -2.01800184985 TCL: atom 1: phi = -0.194447848668 TCL: Center of mass = 13.8864893952 -0.714163877705 -2.01820152739 TCL: atom 1: phi = -0.194580690073 TCL: Center of mass = 13.8896376283 -0.714379249283 -2.01839108863 TCL: atom 1: phi = -0.194186793483 TCL: Center of mass = 13.8927750069 -0.714606867353 -2.01858466488 TCL: atom 1: phi = -0.193741827233 TCL: Center of mass = 13.8959189903 -0.714844777116 -2.01878679051 TCL: atom 1: phi = -0.192819208451 TCL: Center of mass = 13.8990648658 -0.715084110383 -2.01899572765 TCL: atom 1: phi = -0.192071138005 TCL: Center of mass = 13.9022331209 -0.715319294497 -2.01920060425 TCL: atom 1: phi = -0.191123104981 TCL: Center of mass = 13.9054098665 -0.715559735883 -2.01941242064 TCL: atom 1: phi = -0.190555280944 TCL: Center of mass = 13.9085760059 -0.715807863373 -2.01963478396 TCL: atom 1: phi = -0.189966804852 TCL: Center of mass = 13.9117563468 -0.716061734632 -2.01985374504 TCL: atom 1: phi = -0.189847803445 TCL: Center of mass = 13.9149467798 -0.716331580871 -2.02008110303 TCL: atom 1: phi = -0.189668720371 TCL: Center of mass = 13.9181456521 -0.716614330298 -2.02029483184 TCL: atom 1: phi = -0.189859803421 TCL: Center of mass = 13.921340295 -0.716903120601 -2.02051532468 TCL: atom 1: phi = -0.189867455252 TCL: Center of mass = 13.9245482735 -0.717192231399 -2.02075185698 TCL: atom 1: phi = -0.19016042185 TCL: Center of mass = 13.9277542795 -0.717485971871 -2.02098975542 TCL: atom 1: phi = -0.190207614999 TCL: Center of mass = 13.9309457179 -0.717773345175 -2.02122949312 TCL: atom 1: phi = -0.190526724057 TCL: Center of mass = 13.9341292792 -0.718058689902 -2.02147622169 TCL: atom 1: phi = -0.190665427324 TCL: Center of mass = 13.9373097434 -0.718345793223 -2.02171771057 TCL: atom 1: phi = -0.191065567775 TCL: Center of mass = 13.9404967045 -0.718619833289 -2.02195851518 TCL: atom 1: phi = -0.191249116794 TCL: Center of mass = 13.9436797181 -0.718891678801 -2.02220985714 TCL: atom 1: phi = -0.191653055806 TCL: Center of mass = 13.9468598822 -0.719160769472 -2.02246486131 TCL: atom 1: phi = -0.191710006265 TCL: Center of mass = 13.9500501637 -0.71943863437 -2.02271766837 TCL: atom 1: phi = -0.191808806204 TCL: Center of mass = 13.9532409871 -0.719710852198 -2.02297462968 TCL: atom 1: phi = -0.191458186106 TCL: Center of mass = 13.956425649 -0.719976149878 -2.02322819264 TCL: atom 1: phi = -0.191148856929 TCL: Center of mass = 13.9596177219 -0.720227985391 -2.02348224438 TCL: atom 1: phi = -0.190409901794 TCL: Center of mass = 13.962816539 -0.720479245953 -2.0237386074 TCL: atom 1: phi = -0.189910119019 TCL: Center of mass = 13.9660082416 -0.720725608871 -2.0239964907 TCL: atom 1: phi = -0.189193032214 TCL: Center of mass = 13.9691985219 -0.720978847945 -2.02425462842 TCL: atom 1: phi = -0.188917882631 TCL: Center of mass = 13.9723895839 -0.721224213372 -2.02451379107 TCL: atom 1: phi = -0.188516584091 TCL: Center of mass = 13.9755615432 -0.721458500079 -2.02478099363 TCL: atom 1: phi = -0.188570308502 TCL: Center of mass = 13.9787375193 -0.721692913435 -2.02505523824 TCL: atom 1: phi = -0.188555840052 TCL: Center of mass = 13.9819249306 -0.721923837224 -2.02532171846 TCL: atom 1: phi = -0.188904512158 TCL: Center of mass = 13.9851259911 -0.72215507495 -2.02559427451 TCL: atom 1: phi = -0.18906686318 TCL: Center of mass = 13.9883242899 -0.722385057124 -2.02586989667 TCL: atom 1: phi = -0.189483485828 TCL: Center of mass = 13.9915245549 -0.722612356498 -2.02615056177 TCL: atom 1: phi = -0.189704054474 TCL: Center of mass = 13.9947123277 -0.722847592448 -2.02644318613 TCL: atom 1: phi = -0.190174333964 TCL: Center of mass = 13.9979039833 -0.723074630872 -2.0267352627 TCL: atom 1: phi = -0.190375493722 TCL: Center of mass = 14.001097741 -0.72330746999 -2.02702244773 TCL: atom 1: phi = -0.190729521455 TCL: Center of mass = 14.0042823708 -0.723532559319 -2.02729962798 TCL: atom 1: phi = -0.190793448257 TCL: Center of mass = 14.0074715736 -0.723753422333 -2.02757695579 TCL: atom 1: phi = -0.190914544713 TCL: Center of mass = 14.0106737713 -0.723965199891 -2.02785130497 TCL: atom 1: phi = -0.190672073559 TCL: Center of mass = 14.0138742443 -0.72417954654 -2.02813070548 TCL: atom 1: phi = -0.190326885911 TCL: Center of mass = 14.0170777593 -0.72439257061 -2.02842030771 TCL: atom 1: phi = -0.189485131969 TCL: Center of mass = 14.0202747125 -0.724605306882 -2.0287101467 TCL: atom 1: phi = -0.188541863503 TCL: Center of mass = 14.0234652779 -0.724815465492 -2.02899675036 TCL: atom 1: phi = -0.187169803826 TCL: Center of mass = 14.026649902 -0.725009130523 -2.02928206251 TCL: atom 1: phi = -0.185816719971 TCL: Center of mass = 14.0298148893 -0.725209988517 -2.02956956257 TCL: atom 1: phi = -0.184176793426 TCL: Center of mass = 14.0329662901 -0.725416948575 -2.0298565892 TCL: atom 1: phi = -0.182866084267 TCL: Center of mass = 14.0361230879 -0.725622331478 -2.03014166843 TCL: atom 1: phi = -0.181422271993 TCL: Center of mass = 14.0392786116 -0.725821508895 -2.03041583317 TCL: atom 1: phi = -0.180399710072 TCL: Center of mass = 14.0424289555 -0.726011145876 -2.03069819804 TCL: atom 1: phi = -0.179316886897 TCL: Center of mass = 14.045578531 -0.726203275412 -2.03097643949 TCL: atom 1: phi = -0.178705783647 TCL: Center of mass = 14.0487134328 -0.726399185235 -2.03125734457 TCL: atom 1: phi = -0.178044497384 TCL: Center of mass = 14.0518406896 -0.726599458525 -2.03154286182 TCL: atom 1: phi = -0.177825528551 TCL: Center of mass = 14.0549620832 -0.72679485251 -2.0318211116 TCL: atom 1: phi = -0.177485047266 TCL: Center of mass = 14.0580807269 -0.726992824915 -2.03209087705 TCL: atom 1: phi = -0.177541657661 TCL: Center of mass = 14.0611995897 -0.727187632767 -2.0323557289 TCL: atom 1: phi = -0.177451605675 TCL: Center of mass = 14.0643259861 -0.727380948671 -2.03261668945 TCL: atom 1: phi = -0.177743840165 TCL: Center of mass = 14.067434327 -0.727562659734 -2.03287810333 TCL: atom 1: phi = -0.177841079442 TCL: Center of mass = 14.0705492969 -0.727736779265 -2.03314449887 TCL: atom 1: phi = -0.178170388657 TCL: Center of mass = 14.0736700101 -0.727902153047 -2.03340646389 TCL: atom 1: phi = -0.178134937106 TCL: Center of mass = 14.0767889086 -0.728073662205 -2.03367328457 TCL: atom 1: phi = -0.178223837187 TCL: Center of mass = 14.079896093 -0.728259928352 -2.03393927399 TCL: atom 1: phi = -0.177857662966 TCL: Center of mass = 14.082998974 -0.728448901468 -2.03420870748 TCL: atom 1: phi = -0.177550503826 TCL: Center of mass = 14.08610439 -0.728643722467 -2.03447242734 TCL: atom 1: phi = -0.17675808603 TCL: Center of mass = 14.0892068641 -0.728835074215 -2.03472978355 TCL: atom 1: phi = -0.176123599916 TCL: Center of mass = 14.092304003 -0.729024976308 -2.03498641358 TCL: atom 1: phi = -0.175128656355 TCL: Center of mass = 14.0954034591 -0.729221859456 -2.03523432418 TCL: atom 1: phi = -0.174530132399 TCL: Center of mass = 14.0984926924 -0.729414811588 -2.03548509311 TCL: atom 1: phi = -0.173753976447 TCL: Center of mass = 14.1015835424 -0.729603660666 -2.03573098428 TCL: atom 1: phi = -0.173447080859 TCL: Center of mass = 14.1046683117 -0.729800945496 -2.03598235441 TCL: atom 1: phi = -0.173045285176 TCL: Center of mass = 14.1077493705 -0.729993144547 -2.03623617784 TCL: atom 1: phi = -0.173161868663 TCL: Center of mass = 14.1108323177 -0.730197155708 -2.0364855898 TCL: atom 1: phi = -0.173055052903 TCL: Center of mass = 14.1139089808 -0.73041810927 -2.03673274062 TCL: atom 1: phi = -0.173352890168 TCL: Center of mass = 14.1169877099 -0.730630096943 -2.03698875924 TCL: atom 1: phi = -0.173369068643 TIMING: 5900 CPU: 1002.38, 0.170904/step Wall: 1226.58, 0.209459/step, 0.820382 hours remaining, 20919 kB of memory in use. ENERGY: 5900 404.6563 676.3838 418.7016 45.4204 -2762.6416 -184.4454 0.0000 0.0000 1138.7682 -263.1566 310.3462 -254.1053 -255.0553 316.1370 216.6096 516.0288 64000.0000 380.7528 383.6317 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5900 WRITING COORDINATES TO DCD FILE AT STEP 5900 WRITING COORDINATES TO RESTART FILE AT STEP 5900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 14.1200637771 -0.730848421377 -2.03724598453 TCL: atom 1: phi = -0.173705430844 TCL: Center of mass = 14.1231359944 -0.731072322548 -2.03749186806 TCL: atom 1: phi = -0.173674331187 TCL: Center of mass = 14.1262030944 -0.731300783985 -2.03773701412 TCL: atom 1: phi = -0.173879247415 TCL: Center of mass = 14.1292724225 -0.73152794473 -2.03797574552 TCL: atom 1: phi = -0.173697861628 TCL: Center of mass = 14.1323452165 -0.731754573406 -2.03821569147 TCL: atom 1: phi = -0.173718985891 TCL: Center of mass = 14.1354176965 -0.73198103012 -2.03843766387 TCL: atom 1: phi = -0.173353808401 TCL: Center of mass = 14.138496238 -0.732205410478 -2.03865946015 TCL: atom 1: phi = -0.173160528475 TCL: Center of mass = 14.141576802 -0.73242087858 -2.03887957106 TCL: atom 1: phi = -0.172570947674 TCL: Center of mass = 14.1446518136 -0.732618205332 -2.03910505955 TCL: atom 1: phi = -0.172140994116 TCL: Center of mass = 14.1477276718 -0.732818452543 -2.03933559544 TCL: atom 1: phi = -0.171328896237 TCL: Center of mass = 14.1508044681 -0.733011962119 -2.03955058121 TCL: atom 1: phi = -0.170718535432 TCL: Center of mass = 14.153888323 -0.73320693833 -2.03977724575 TCL: atom 1: phi = -0.169814603703 TCL: Center of mass = 14.1569658814 -0.733394416281 -2.04001395344 TCL: atom 1: phi = -0.169224823256 TCL: Center of mass = 14.1600410176 -0.733585558192 -2.04025667976 TCL: atom 1: phi = -0.168439899947 TCL: Center of mass = 14.1631101133 -0.733771818402 -2.0404975918 TCL: atom 1: phi = -0.168007606211 TCL: Center of mass = 14.1661837543 -0.733962033191 -2.04074225191 TCL: atom 1: phi = -0.167414914193 TCL: Center of mass = 14.1692581284 -0.734152357745 -2.04098065995 TCL: atom 1: phi = -0.167194068123 TCL: Center of mass = 14.1723192657 -0.73434815913 -2.04121470867 TCL: atom 1: phi = -0.166807953108 TCL: Center of mass = 14.1753845479 -0.73456978263 -2.04144733632 TCL: atom 1: phi = -0.166739119813 TCL: Center of mass = 14.1784513869 -0.734795090713 -2.04167992517 TCL: atom 1: phi = -0.166468188256 TCL: Center of mass = 14.1815227954 -0.735026065399 -2.04190563068 TCL: atom 1: phi = -0.1664340097 TCL: Center of mass = 14.1846002246 -0.735254997923 -2.0421262224 TCL: atom 1: phi = -0.166099397365 TCL: Center of mass = 14.1876867749 -0.735477966769 -2.0423448183 TCL: atom 1: phi = -0.165878075349 TCL: Center of mass = 14.1907722249 -0.735712305121 -2.04257944971 TCL: atom 1: phi = -0.165209794154 TCL: Center of mass = 14.1938578406 -0.735948794874 -2.04281792234 TCL: atom 1: phi = -0.164585944225 TCL: Center of mass = 14.196943841 -0.736178180507 -2.04305459773 TCL: atom 1: phi = -0.163606034061 TCL: Center of mass = 14.2000433267 -0.736394976851 -2.04329025474 TCL: atom 1: phi = -0.162736287026 TCL: Center of mass = 14.2031423176 -0.736606507111 -2.04353350262 TCL: atom 1: phi = -0.161585752108 TCL: Center of mass = 14.2062417169 -0.736808540192 -2.04377819452 TCL: atom 1: phi = -0.160583468257 TCL: Center of mass = 14.2093414153 -0.737016707232 -2.04403263233 TCL: atom 1: phi = -0.159337250827 TCL: Center of mass = 14.2124383584 -0.73722892456 -2.04428864274 TCL: atom 1: phi = -0.15834486217 TCL: Center of mass = 14.2155382987 -0.737441600101 -2.04454351225 TCL: atom 1: phi = -0.15716965368 TCL: Center of mass = 14.2186297949 -0.73763873154 -2.04481233833 TCL: atom 1: phi = -0.156338806099 TCL: Center of mass = 14.2217168817 -0.737837708401 -2.04508126221 TCL: atom 1: phi = -0.155406991286 TCL: Center of mass = 14.2248035709 -0.738044093339 -2.04536356079 TCL: atom 1: phi = -0.15488279261 TCL: Center of mass = 14.2279017403 -0.738253795216 -2.04564498327 TCL: atom 1: phi = -0.154253775455 TCL: Center of mass = 14.2310005258 -0.738474274758 -2.0459347012 TCL: atom 1: phi = -0.154090503636 TCL: Center of mass = 14.2340973242 -0.738684782899 -2.04622174571 TCL: atom 1: phi = -0.153913784233 TCL: Center of mass = 14.2371926724 -0.7388919586 -2.0465025028 TCL: atom 1: phi = -0.154122999982 TCL: Center of mass = 14.2402954249 -0.73910147293 -2.04677645232 TCL: atom 1: phi = -0.15425677024 TCL: Center of mass = 14.2433919292 -0.739310179154 -2.04704792669 TCL: atom 1: phi = -0.154681856509 TCL: Center of mass = 14.2464871741 -0.73952078268 -2.04731422081 TCL: atom 1: phi = -0.154812597865 TCL: Center of mass = 14.2495817368 -0.739740310716 -2.04758430365 TCL: atom 1: phi = -0.155013334904 TCL: Center of mass = 14.2526731444 -0.73994330492 -2.04785775458 TCL: atom 1: phi = -0.15478595545 TCL: Center of mass = 14.2557794022 -0.740140549707 -2.04814451814 TCL: atom 1: phi = -0.154568941984 TCL: Center of mass = 14.2588986443 -0.740338211854 -2.04844090276 TCL: atom 1: phi = -0.153950042409 TCL: Center of mass = 14.2620161192 -0.740530948359 -2.04873516584 TCL: atom 1: phi = -0.153386475459 TCL: Center of mass = 14.2651280232 -0.740721538716 -2.04902431779 TCL: atom 1: phi = -0.15254598672 TCL: Center of mass = 14.268240806 -0.740912259467 -2.04932079776 TCL: atom 1: phi = -0.151892347776 TCL: Center of mass = 14.2713568078 -0.741118814861 -2.04962311137 TCL: atom 1: phi = -0.151095509778 TCL: Center of mass = 14.2744676487 -0.741323777922 -2.04991516663 TCL: atom 1: phi = -0.150477259571 TCL: Center of mass = 14.2775869028 -0.741533970749 -2.05020739609 TCL: atom 1: phi = -0.149658416062 TCL: Center of mass = 14.2807002325 -0.741747037304 -2.0504894343 TCL: atom 1: phi = -0.149076651855 TCL: Center of mass = 14.2838129366 -0.74195803291 -2.05075719668 TCL: atom 1: phi = -0.148376342309 TCL: Center of mass = 14.2869430876 -0.742169281224 -2.05102430086 TCL: atom 1: phi = -0.147942236639 TCL: Center of mass = 14.2900711373 -0.742370365506 -2.05127675804 TCL: atom 1: phi = -0.147405729769 TCL: Center of mass = 14.2931906514 -0.742581448103 -2.0515275143 TCL: atom 1: phi = -0.147327490633 TCL: Center of mass = 14.2963198718 -0.742794029115 -2.05177246667 TCL: atom 1: phi = -0.147293174739 TCL: Center of mass = 14.2994504003 -0.743005340007 -2.05202154904 TCL: atom 1: phi = -0.147745348262 TCL: Center of mass = 14.302572746 -0.743213950177 -2.05227043737 TCL: atom 1: phi = -0.148148897897 TCL: Center of mass = 14.3056842295 -0.743419338022 -2.05251742426 TCL: atom 1: phi = -0.148880017564 TCL: Center of mass = 14.3088039309 -0.743617790321 -2.05276314049 TCL: atom 1: phi = -0.149420696678 TCL: Center of mass = 14.3119313126 -0.743835558854 -2.05300953622 TCL: atom 1: phi = -0.150062264808 TCL: Center of mass = 14.3150413069 -0.744057679622 -2.05324910193 TCL: atom 1: phi = -0.150232698435 TCL: Center of mass = 14.3181596529 -0.744279642517 -2.05349450235 TCL: atom 1: phi = -0.150374349284 TCL: Center of mass = 14.321271703 -0.74450863848 -2.05373823834 TCL: atom 1: phi = -0.150074921539 TCL: Center of mass = 14.3243854802 -0.744733516136 -2.05397536397 TCL: atom 1: phi = -0.149816123534 TCL: Center of mass = 14.3275091761 -0.744959734843 -2.05421589057 TCL: atom 1: phi = -0.149272547965 TCL: Center of mass = 14.3306381523 -0.745192423785 -2.05446347252 TCL: atom 1: phi = -0.148944136823 TCL: Center of mass = 14.3337653769 -0.74544212208 -2.05471212865 TCL: atom 1: phi = -0.14846268835 TCL: Center of mass = 14.3368834228 -0.745688989803 -2.05495592026 TCL: atom 1: phi = -0.148251300405 TCL: Center of mass = 14.3399987977 -0.745923868224 -2.05520111679 TCL: atom 1: phi = -0.147904176726 TCL: Center of mass = 14.3431145303 -0.746158052898 -2.05543862824 TCL: atom 1: phi = -0.147757833793 TCL: Center of mass = 14.3462154084 -0.746387986802 -2.05567378775 TCL: atom 1: phi = -0.147469385247 TCL: Center of mass = 14.3493115366 -0.746634158891 -2.0559143413 TCL: atom 1: phi = -0.147395170393 TCL: Center of mass = 14.352416026 -0.746894954997 -2.05615670256 TCL: atom 1: phi = -0.147156757933 TCL: Center of mass = 14.3555159816 -0.747152646453 -2.05639537649 TCL: atom 1: phi = -0.147226266229 TCL: Center of mass = 14.3586124648 -0.747412241325 -2.05663567311 TCL: atom 1: phi = -0.14719671935 TCL: Center of mass = 14.3617178175 -0.74768183356 -2.05687684529 TCL: atom 1: phi = -0.147562433596 TCL: Center of mass = 14.3648310101 -0.747953760679 -2.05711132325 TCL: atom 1: phi = -0.147875982116 TCL: Center of mass = 14.3679348294 -0.748218695033 -2.0573467341 TCL: atom 1: phi = -0.148499856819 TCL: Center of mass = 14.371032988 -0.748475857327 -2.05758379779 TCL: atom 1: phi = -0.148922565702 TCL: Center of mass = 14.3741243011 -0.74871977547 -2.05782186085 TCL: atom 1: phi = -0.149407501299 TCL: Center of mass = 14.3772092048 -0.748968112957 -2.05805995843 TCL: atom 1: phi = -0.149410604442 TCL: Center of mass = 14.3803057874 -0.749204025529 -2.05829190353 TCL: atom 1: phi = -0.149259429327 TCL: Center of mass = 14.3833887299 -0.749426959148 -2.05851918593 TCL: atom 1: phi = -0.148512089803 TCL: Center of mass = 14.3864726855 -0.749648676631 -2.05875317456 TCL: atom 1: phi = -0.147617649601 TCL: Center of mass = 14.3895527642 -0.749860732579 -2.05898243952 TCL: atom 1: phi = -0.146263200177 TCL: Center of mass = 14.3926262341 -0.750068103169 -2.0592053708 TCL: atom 1: phi = -0.145051361842 TCL: Center of mass = 14.3956944164 -0.750272796964 -2.05942238624 TCL: atom 1: phi = -0.14357521989 TCL: Center of mass = 14.3987647072 -0.750473336321 -2.0596462107 TCL: atom 1: phi = -0.142281268536 TCL: Center of mass = 14.4018383535 -0.750673229194 -2.05987073352 TCL: atom 1: phi = -0.140724961661 TCL: Center of mass = 14.4049123619 -0.750867000957 -2.06009280911 TCL: atom 1: phi = -0.139385700451 TCL: Center of mass = 14.4079873124 -0.751063399242 -2.06032498157 TCL: atom 1: phi = -0.137720384907 TCL: Center of mass = 14.4110719587 -0.751263756298 -2.06054606114 TCL: atom 1: phi = -0.136316572998 TCL: Center of mass = 14.4141506536 -0.751453322951 -2.06076355738 TCL: atom 1: phi = -0.134587892555 TCL: Center of mass = 14.417230227 -0.751640431838 -2.06098176008 TCL: atom 1: phi = -0.133214953559 TCL: Center of mass = 14.4203129394 -0.751826458966 -2.06119764726 TCL: atom 1: phi = -0.131700051349 TCL: Center of mass = 14.4233979007 -0.752009566537 -2.06143353373 TCL: atom 1: phi = -0.130635214235 TCL: Center of mass = 14.4264878533 -0.752201654631 -2.06168670108 TCL: atom 1: phi = -0.129559176845 TIMING: 6000 CPU: 1019.59, 0.172154/step Wall: 1247.66, 0.21079/step, 0.81974 hours remaining, 20948 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 423.0061 664.1376 397.7788 45.7533 -2746.1371 -210.6574 0.0000 0.0000 1149.5999 -276.5189 313.2981 -267.0616 -269.6234 317.5702 -246.7517 119.4755 64000.0000 215.2036 212.1457 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6000 WRITING COORDINATES TO DCD FILE AT STEP 6000 WRITING COORDINATES TO RESTART FILE AT STEP 6000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 14.4295727033 -0.752395377526 -2.06194379279 TCL: atom 1: phi = -0.129102371245 TCL: Center of mass = 14.4326650869 -0.752598597857 -2.06219494696 TCL: atom 1: phi = -0.128553679171 TCL: Center of mass = 14.4357686203 -0.752790265332 -2.06245763588 TCL: atom 1: phi = -0.128372772536 TCL: Center of mass = 14.4388677957 -0.752971812339 -2.06272388131 TCL: atom 1: phi = -0.127832920922 TCL: Center of mass = 14.4419782672 -0.753157723918 -2.06299727763 TCL: atom 1: phi = -0.127461866965 TCL: Center of mass = 14.4450785538 -0.753341904128 -2.06328012597 TCL: atom 1: phi = -0.126614577423 TCL: Center of mass = 14.4481817535 -0.753526395392 -2.06356478275 TCL: atom 1: phi = -0.125914650603 TCL: Center of mass = 14.4512758169 -0.753717539058 -2.06384709614 TCL: atom 1: phi = -0.124922251474 TCL: Center of mass = 14.4543631649 -0.753910742788 -2.0641218685 TCL: atom 1: phi = -0.124305826083 TCL: Center of mass = 14.4574638394 -0.754093604754 -2.06438947904 TCL: atom 1: phi = -0.123577486796 TCL: Center of mass = 14.4605705139 -0.754276043027 -2.06465702378 TCL: atom 1: phi = -0.123405828332 TCL: Center of mass = 14.4636867233 -0.754454840615 -2.06492309615 TCL: atom 1: phi = -0.123112253143 TCL: Center of mass = 14.4668045077 -0.75463046669 -2.06519911771 TCL: atom 1: phi = -0.12320041258 TCL: Center of mass = 14.4699255776 -0.754794607318 -2.0654820478 TCL: atom 1: phi = -0.123080240759 TCL: Center of mass = 14.4730620631 -0.754979775207 -2.06575971276 TCL: atom 1: phi = -0.123259355484 TCL: Center of mass = 14.4761972741 -0.755163642668 -2.06603729132 TCL: atom 1: phi = -0.123154432215 TCL: Center of mass = 14.4793378563 -0.755337831781 -2.06631263878 TCL: atom 1: phi = -0.123325804352 TCL: Center of mass = 14.4824685284 -0.755524257182 -2.06658496237 TCL: atom 1: phi = -0.123367736216 TCL: Center of mass = 14.4855919978 -0.755703942934 -2.06686069629 TCL: atom 1: phi = -0.123755811828 TCL: Center of mass = 14.4887295272 -0.755875060035 -2.06713490561 TCL: atom 1: phi = -0.124031522257 TCL: Center of mass = 14.4918671785 -0.756042853234 -2.06740972788 TCL: atom 1: phi = -0.124668843016 TCL: Center of mass = 14.4950065143 -0.756199725641 -2.06767752213 TCL: atom 1: phi = -0.125065515187 TCL: Center of mass = 14.4981390173 -0.756348401244 -2.06794909023 TCL: atom 1: phi = -0.125540671438 TCL: Center of mass = 14.5012736242 -0.756491733293 -2.06821853938 TCL: atom 1: phi = -0.125610439649 TCL: Center of mass = 14.5044051834 -0.75665069244 -2.06848574442 TCL: atom 1: phi = -0.125497215809 TCL: Center of mass = 14.5075374514 -0.756812117814 -2.068756732 TCL: atom 1: phi = -0.124811837659 TCL: Center of mass = 14.5106748039 -0.75699045584 -2.06903315359 TCL: atom 1: phi = -0.12401024083 TCL: Center of mass = 14.5138183514 -0.757161495905 -2.06929852447 TCL: atom 1: phi = -0.122789293911 TCL: Center of mass = 14.516963222 -0.757328752128 -2.06956463876 TCL: atom 1: phi = -0.121754283255 TCL: Center of mass = 14.5201108832 -0.757496364684 -2.06982625371 TCL: atom 1: phi = -0.120622084317 TCL: Center of mass = 14.523238231 -0.757673141923 -2.07009614107 TCL: atom 1: phi = -0.11990759779 TCL: Center of mass = 14.5263642496 -0.757849495532 -2.07035911829 TCL: atom 1: phi = -0.11914812956 TCL: Center of mass = 14.5294901073 -0.758024645025 -2.07061861193 TCL: atom 1: phi = -0.118762581517 TCL: Center of mass = 14.5326167237 -0.758204004281 -2.07089170819 TCL: atom 1: phi = -0.118204004122 TCL: Center of mass = 14.5357438856 -0.758386415243 -2.07116356008 TCL: atom 1: phi = -0.117845533464 TCL: Center of mass = 14.5388633036 -0.75855876471 -2.07143159319 TCL: atom 1: phi = -0.117181369927 TCL: Center of mass = 14.5419836793 -0.758714058137 -2.07169928796 TCL: atom 1: phi = -0.116660363187 TCL: Center of mass = 14.545107233 -0.75886805833 -2.07197165474 TCL: atom 1: phi = -0.115866083913 TCL: Center of mass = 14.5482307034 -0.759024826277 -2.07224038299 TCL: atom 1: phi = -0.11539693143 TCL: Center of mass = 14.5513533593 -0.759192580055 -2.07252231473 TCL: atom 1: phi = -0.114818906475 TCL: Center of mass = 14.5544721129 -0.759370323099 -2.07281215283 TCL: atom 1: phi = -0.114683227169 TCL: Center of mass = 14.5575792695 -0.759551761976 -2.07309394424 TCL: atom 1: phi = -0.114454451266 TCL: Center of mass = 14.5606931373 -0.759727235067 -2.07337840059 TCL: atom 1: phi = -0.114533797236 TCL: Center of mass = 14.5638037234 -0.759902579351 -2.07367246632 TCL: atom 1: phi = -0.114390175682 TCL: Center of mass = 14.5669140496 -0.760079497191 -2.07395991592 TCL: atom 1: phi = -0.114349048426 TCL: Center of mass = 14.5700195336 -0.760246874027 -2.0742562755 TCL: atom 1: phi = -0.11391235814 TCL: Center of mass = 14.5731215464 -0.76040929885 -2.07455455531 TCL: atom 1: phi = -0.113554459508 TCL: Center of mass = 14.5762105772 -0.760567397421 -2.07485409566 TCL: atom 1: phi = -0.112964219381 TCL: Center of mass = 14.5793103523 -0.760727574947 -2.07515687496 TCL: atom 1: phi = -0.112643061219 TCL: Center of mass = 14.5824098494 -0.76088792406 -2.07545967127 TCL: atom 1: phi = -0.112351783992 TCL: Center of mass = 14.5855190189 -0.761050801698 -2.07576354414 TCL: atom 1: phi = -0.112627769527 TCL: Center of mass = 14.5886276221 -0.761223606848 -2.07607367818 TCL: atom 1: phi = -0.112962079165 TCL: Center of mass = 14.5917170692 -0.761397318699 -2.07638166381 TCL: atom 1: phi = -0.113802191143 TCL: Center of mass = 14.5947996916 -0.761568875054 -2.07668734586 TCL: atom 1: phi = -0.11462488908 TCL: Center of mass = 14.5978756528 -0.761742563875 -2.07699401476 TCL: atom 1: phi = -0.115719813994 TCL: Center of mass = 14.6009509287 -0.761925269518 -2.07730347069 TCL: atom 1: phi = -0.116584644013 TCL: Center of mass = 14.6040274379 -0.762103657922 -2.07761757959 TCL: atom 1: phi = -0.117505169375 TCL: Center of mass = 14.6071026702 -0.762286385115 -2.07794095959 TCL: atom 1: phi = -0.118137319542 TCL: Center of mass = 14.6101842473 -0.762469794274 -2.07826688945 TCL: atom 1: phi = -0.118869361666 TCL: Center of mass = 14.6132662598 -0.762659041863 -2.07859119502 TCL: atom 1: phi = -0.119402793211 TCL: Center of mass = 14.6163401021 -0.762834808033 -2.07893172625 TCL: atom 1: phi = -0.120078570953 TCL: Center of mass = 14.619408608 -0.763012773619 -2.07927596124 TCL: atom 1: phi = -0.120571994424 TCL: Center of mass = 14.6224737986 -0.763190606497 -2.07962015337 TCL: atom 1: phi = -0.121190031002 TCL: Center of mass = 14.6255361635 -0.763379610433 -2.07997342091 TCL: atom 1: phi = -0.12148150304 TCL: Center of mass = 14.6285922722 -0.76357425609 -2.08032799265 TCL: atom 1: phi = -0.121655918489 TCL: Center of mass = 14.6316506702 -0.76378163112 -2.08068821914 TCL: atom 1: phi = -0.121323040128 TCL: Center of mass = 14.6347030716 -0.763976390397 -2.08104052024 TCL: atom 1: phi = -0.1207672042 TCL: Center of mass = 14.637765828 -0.764165816687 -2.08139515491 TCL: atom 1: phi = -0.119770105888 TCL: Center of mass = 14.6408140762 -0.764353673434 -2.08174181404 TCL: atom 1: phi = -0.118799450106 TCL: Center of mass = 14.6438457589 -0.764534813032 -2.0820753624 TCL: atom 1: phi = -0.117626494761 TCL: Center of mass = 14.6468815332 -0.764704934931 -2.08239740792 TCL: atom 1: phi = -0.116741903642 TCL: Center of mass = 14.6499189702 -0.764874662862 -2.08271935448 TCL: atom 1: phi = -0.115860553289 TCL: Center of mass = 14.6529455042 -0.765044531166 -2.08303363574 TCL: atom 1: phi = -0.115319721446 TCL: Center of mass = 14.655974639 -0.765205767007 -2.08333862234 TCL: atom 1: phi = -0.114719774157 TCL: Center of mass = 14.6590079575 -0.765367231657 -2.083639608 TCL: atom 1: phi = -0.114342326339 TCL: Center of mass = 14.6620433876 -0.765525911183 -2.0839337688 TCL: atom 1: phi = -0.113760933185 TCL: Center of mass = 14.6650820828 -0.76568787335 -2.08422971077 TCL: atom 1: phi = -0.113357148209 TCL: Center of mass = 14.668116306 -0.765842111491 -2.08453563877 TCL: atom 1: phi = -0.1127703143 TCL: Center of mass = 14.671144256 -0.765996332573 -2.08485200922 TCL: atom 1: phi = -0.112361158575 TCL: Center of mass = 14.6741804846 -0.766139572321 -2.08515985693 TCL: atom 1: phi = -0.111858935638 TCL: Center of mass = 14.6772172103 -0.766293929757 -2.08545141058 TCL: atom 1: phi = -0.111690427863 TCL: Center of mass = 14.6802325348 -0.766442945325 -2.08574849746 TCL: atom 1: phi = -0.111421643658 TCL: Center of mass = 14.6832484763 -0.766587013321 -2.08606178081 TCL: atom 1: phi = -0.11154166296 TCL: Center of mass = 14.6862537949 -0.766737251295 -2.08637486284 TCL: atom 1: phi = -0.111454425093 TCL: Center of mass = 14.6892557406 -0.766881568677 -2.08671048545 TCL: atom 1: phi = -0.111538961135 TCL: Center of mass = 14.692251148 -0.767034081599 -2.08705178641 TCL: atom 1: phi = -0.111300222574 TCL: Center of mass = 14.6952356049 -0.767184252366 -2.08738643486 TCL: atom 1: phi = -0.111100873204 TCL: Center of mass = 14.6982199428 -0.767336106642 -2.08772089205 TCL: atom 1: phi = -0.110577337706 TCL: Center of mass = 14.7012146125 -0.767487871088 -2.08804480765 TCL: atom 1: phi = -0.110257410437 TCL: Center of mass = 14.7042172683 -0.767635461933 -2.08836936733 TCL: atom 1: phi = -0.109754255719 TCL: Center of mass = 14.707213017 -0.76779134343 -2.08869274029 TCL: atom 1: phi = -0.109641752818 TCL: Center of mass = 14.7101996394 -0.767957940578 -2.08902555325 TCL: atom 1: phi = -0.109479862165 TCL: Center of mass = 14.7131758728 -0.768131747952 -2.08936124083 TCL: atom 1: phi = -0.109799099552 TCL: Center of mass = 14.7161515955 -0.768301379285 -2.08968869657 TCL: atom 1: phi = -0.110050174446 TCL: Center of mass = 14.71913511 -0.76845641072 -2.09002387831 TCL: atom 1: phi = -0.110634558981 TCL: Center of mass = 14.7221275929 -0.768611599598 -2.09035652798 TCL: atom 1: phi = -0.110930479922 TCL: Center of mass = 14.7251269903 -0.768766187309 -2.09069099483 TCL: atom 1: phi = -0.111402129147 TCL: Center of mass = 14.7281265209 -0.768920464421 -2.0910219598 TCL: atom 1: phi = -0.111520657861 TCL: Center of mass = 14.7311293383 -0.76908649275 -2.09135291847 TCL: atom 1: phi = -0.111715242305 TCL: Center of mass = 14.7341267905 -0.769248833828 -2.09169028832 TCL: atom 1: phi = -0.111617656286 TIMING: 6100 CPU: 1036.82, 0.172324/step Wall: 1268.69, 0.210285/step, 0.811933 hours remaining, 21005 kB of memory in use. ENERGY: 6100 406.8410 704.3454 411.1292 44.6645 -2794.9148 -202.9943 0.0000 0.0000 1142.0450 -288.8841 311.2392 -280.2498 -279.9444 315.0079 379.1508 681.8568 64000.0000 431.0275 426.1682 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6100 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 TCL: Center of mass = 14.7371322581 -0.769414660012 -2.09202897942 TCL: atom 1: phi = -0.111718789928 TCL: Center of mass = 14.7401355118 -0.769576488644 -2.09237917585 TCL: atom 1: phi = -0.111511912452 TCL: Center of mass = 14.7431420403 -0.769745796264 -2.09272946239 TCL: atom 1: phi = -0.111563126646 TCL: Center of mass = 14.7461524871 -0.769911637017 -2.09309142029 TCL: atom 1: phi = -0.111340436885 TCL: Center of mass = 14.7491697272 -0.77006968898 -2.09345651388 TCL: atom 1: phi = -0.111276976773 TCL: Center of mass = 14.7521903814 -0.770219659032 -2.09382731533 TCL: atom 1: phi = -0.110790626033 TCL: Center of mass = 14.7552130178 -0.770367947954 -2.09419566282 TCL: atom 1: phi = -0.110355464436 TCL: Center of mass = 14.758240309 -0.770509191969 -2.09455930027 TCL: atom 1: phi = -0.109471240029 TCL: Center of mass = 14.7612644165 -0.770654881311 -2.09492779848 TCL: atom 1: phi = -0.108734318496 TCL: Center of mass = 14.7642904558 -0.7708032824 -2.09531104964 TCL: atom 1: phi = -0.107684355484 TCL: Center of mass = 14.76731412 -0.77094660257 -2.09567943493 TCL: atom 1: phi = -0.10701205179 TCL: Center of mass = 14.7703375712 -0.771078754047 -2.09604893888 TCL: atom 1: phi = -0.106282057796 TCL: Center of mass = 14.7733653446 -0.771209661011 -2.09641368606 TCL: atom 1: phi = -0.106090295156 TCL: Center of mass = 14.7763893723 -0.771336190682 -2.09678292976 TCL: atom 1: phi = -0.105898561692 TCL: Center of mass = 14.7794174176 -0.771464472739 -2.09716183934 TCL: atom 1: phi = -0.106182967592 TCL: Center of mass = 14.7824609611 -0.771593822909 -2.09754492738 TCL: atom 1: phi = -0.106328572173 TCL: Center of mass = 14.7855034638 -0.771729047463 -2.09792092092 TCL: atom 1: phi = -0.106807197851 TCL: Center of mass = 14.7885460387 -0.771865423231 -2.09829321599 TCL: atom 1: phi = -0.107064621391 TCL: Center of mass = 14.7915836126 -0.771999849173 -2.09867500788 TCL: atom 1: phi = -0.10753820209 TCL: Center of mass = 14.7946154557 -0.772138115799 -2.09905913619 TCL: atom 1: phi = -0.107734154016 TCL: Center of mass = 14.7976551596 -0.772276069382 -2.09944559042 TCL: atom 1: phi = -0.108167797946 TCL: Center of mass = 14.800681743 -0.772408911708 -2.09982937191 TCL: atom 1: phi = -0.108433132866 TCL: Center of mass = 14.8037109415 -0.772535278517 -2.10021475594 TCL: atom 1: phi = -0.1089784941 TCL: Center of mass = 14.8067352775 -0.772666760402 -2.10059798168 TCL: atom 1: phi = -0.109307446098 TCL: Center of mass = 14.80976347 -0.772793887811 -2.1009919318 TCL: atom 1: phi = -0.109910560351 TCL: Center of mass = 14.8127901541 -0.772926373062 -2.10139031199 TCL: atom 1: phi = -0.110310617065 TCL: Center of mass = 14.8158198968 -0.773060100251 -2.10178474794 TCL: atom 1: phi = -0.110913402748 TCL: Center of mass = 14.8188467488 -0.773185294793 -2.10217243638 TCL: atom 1: phi = -0.111189740843 TCL: Center of mass = 14.8218707444 -0.773313216703 -2.10255674732 TCL: atom 1: phi = -0.111635525784 TCL: Center of mass = 14.8248844178 -0.773442680053 -2.10294338427 TCL: atom 1: phi = -0.111869264396 TCL: Center of mass = 14.8279048798 -0.773584548233 -2.10333452046 TCL: atom 1: phi = -0.112451636836 TCL: Center of mass = 14.8309309341 -0.77373764178 -2.10373636192 TCL: atom 1: phi = -0.112931580712 TCL: Center of mass = 14.8339471442 -0.773892274718 -2.10413786274 TCL: atom 1: phi = -0.113830763135 TCL: Center of mass = 14.8369745839 -0.774042707075 -2.10453839543 TCL: atom 1: phi = -0.114666358979 TCL: Center of mass = 14.8399976205 -0.774190132527 -2.10494443459 TCL: atom 1: phi = -0.115888817561 TCL: Center of mass = 14.8430240879 -0.774334167195 -2.10534783443 TCL: atom 1: phi = -0.116919077676 TCL: Center of mass = 14.8460462687 -0.774476876882 -2.10575099139 TCL: atom 1: phi = -0.118184682312 TCL: Center of mass = 14.8490553905 -0.774620211838 -2.10614985049 TCL: atom 1: phi = -0.119104396399 TCL: Center of mass = 14.8520649535 -0.774774040058 -2.10654468946 TCL: atom 1: phi = -0.120054081898 TCL: Center of mass = 14.8550666136 -0.774918926574 -2.10693097991 TCL: atom 1: phi = -0.120612660243 TCL: Center of mass = 14.8580723367 -0.775057309601 -2.10731270706 TCL: atom 1: phi = -0.121178680606 TCL: Center of mass = 14.8610735728 -0.775199088418 -2.10769119922 TCL: atom 1: phi = -0.121315636503 TCL: Center of mass = 14.8640785126 -0.775347231477 -2.10806081126 TCL: atom 1: phi = -0.121449654951 TCL: Center of mass = 14.8670849701 -0.775501144574 -2.10843538594 TCL: atom 1: phi = -0.121191352977 TCL: Center of mass = 14.8700833333 -0.775652301397 -2.10880809409 TCL: atom 1: phi = -0.121002385457 TCL: Center of mass = 14.8730822242 -0.775800846207 -2.10917417738 TCL: atom 1: phi = -0.120448069111 TCL: Center of mass = 14.8760813321 -0.775952321291 -2.10954497071 TCL: atom 1: phi = -0.119967233352 TCL: Center of mass = 14.879079787 -0.776095649888 -2.10990932593 TCL: atom 1: phi = -0.119165343352 TCL: Center of mass = 14.8820781564 -0.776245808445 -2.11028738489 TCL: atom 1: phi = -0.118533012082 TCL: Center of mass = 14.8850783099 -0.776397797219 -2.11066487626 TCL: atom 1: phi = -0.117590037183 TCL: Center of mass = 14.8880848752 -0.776550704395 -2.11104445395 TCL: atom 1: phi = -0.116929047305 TCL: Center of mass = 14.8910954152 -0.776718988915 -2.11141782446 TCL: atom 1: phi = -0.116116099111 TCL: Center of mass = 14.8940956357 -0.776898336471 -2.11179274479 TCL: atom 1: phi = -0.115774907057 TCL: Center of mass = 14.8970914807 -0.777080603072 -2.11217725049 TCL: atom 1: phi = -0.115341130737 TCL: Center of mass = 14.9000895133 -0.77726724774 -2.11255961953 TCL: atom 1: phi = -0.115393060626 TCL: Center of mass = 14.9030718036 -0.777451652752 -2.11294675416 TCL: atom 1: phi = -0.115371879707 TCL: Center of mass = 14.9060600443 -0.777636999731 -2.11333622147 TCL: atom 1: phi = -0.115772165414 TCL: Center of mass = 14.9090491639 -0.777825367531 -2.11372333746 TCL: atom 1: phi = -0.115953737717 TCL: Center of mass = 14.9120470484 -0.778005002012 -2.1141034925 TCL: atom 1: phi = -0.116387556843 TCL: Center of mass = 14.9150406566 -0.778172192891 -2.11447989858 TCL: atom 1: phi = -0.116419477895 TCL: Center of mass = 14.9180362943 -0.778342267504 -2.11486351734 TCL: atom 1: phi = -0.116650347859 TCL: Center of mass = 14.9210286955 -0.778514252764 -2.11525007269 TCL: atom 1: phi = -0.116470279093 TCL: Center of mass = 14.9240102282 -0.778691256765 -2.11562992973 TCL: atom 1: phi = -0.116506429969 TCL: Center of mass = 14.9269859324 -0.778880347368 -2.11599806884 TCL: atom 1: phi = -0.116282945422 TCL: Center of mass = 14.9299702782 -0.779086809175 -2.11636772877 TCL: atom 1: phi = -0.116400285133 TCL: Center of mass = 14.9329471513 -0.779304304427 -2.11674235104 TCL: atom 1: phi = -0.116226891622 TCL: Center of mass = 14.9359253982 -0.779520638145 -2.11711421019 TCL: atom 1: phi = -0.116402595282 TCL: Center of mass = 14.9389043939 -0.779722603949 -2.11747396735 TCL: atom 1: phi = -0.116243606488 TCL: Center of mass = 14.9418825622 -0.779928426892 -2.11783422387 TCL: atom 1: phi = -0.116417572666 TCL: Center of mass = 14.9448572616 -0.780144740975 -2.11820173817 TCL: atom 1: phi = -0.116280727119 TCL: Center of mass = 14.9478265913 -0.780351961038 -2.118569622 TCL: atom 1: phi = -0.116477167059 TCL: Center of mass = 14.9507895188 -0.78055873504 -2.11893781807 TCL: atom 1: phi = -0.116367673894 TCL: Center of mass = 14.9537456682 -0.780762680095 -2.11931656483 TCL: atom 1: phi = -0.116641260598 TCL: Center of mass = 14.95671171 -0.78096607634 -2.11969829731 TCL: atom 1: phi = -0.116697267538 TCL: Center of mass = 14.9596871173 -0.781175179807 -2.12006244814 TCL: atom 1: phi = -0.117167041864 TCL: Center of mass = 14.9626548433 -0.781375076056 -2.12043761188 TCL: atom 1: phi = -0.117418414978 TCL: Center of mass = 14.9656184549 -0.781587256428 -2.12080893463 TCL: atom 1: phi = -0.118083241892 TCL: Center of mass = 14.9685805489 -0.781796124164 -2.12118601451 TCL: atom 1: phi = -0.118467794829 TCL: Center of mass = 14.9715421915 -0.782002265834 -2.12155078627 TCL: atom 1: phi = -0.119084320729 TCL: Center of mass = 14.9744929549 -0.782213723418 -2.12191207516 TCL: atom 1: phi = -0.119230351934 TCL: Center of mass = 14.9774611794 -0.782426030071 -2.12227453514 TCL: atom 1: phi = -0.119529045937 TCL: Center of mass = 14.9804225174 -0.782623980712 -2.12264412155 TCL: atom 1: phi = -0.119358291776 TCL: Center of mass = 14.9833735765 -0.782801419365 -2.12300095413 TCL: atom 1: phi = -0.119341815032 TCL: Center of mass = 14.9863196654 -0.782987838109 -2.12335560323 TCL: atom 1: phi = -0.118930776752 TCL: Center of mass = 14.9892639832 -0.783184523246 -2.12371537458 TCL: atom 1: phi = -0.118769407059 TCL: Center of mass = 14.9921927655 -0.783386381497 -2.12408506321 TCL: atom 1: phi = -0.118325261436 TCL: Center of mass = 14.9951208259 -0.783585094472 -2.1244475733 TCL: atom 1: phi = -0.118219582686 TCL: Center of mass = 14.9980516521 -0.783782650615 -2.12480980126 TCL: atom 1: phi = -0.117869710228 TCL: Center of mass = 15.0009777599 -0.7839661662 -2.12516121763 TCL: atom 1: phi = -0.117802993641 TCL: Center of mass = 15.0038993524 -0.784156164649 -2.125511765 TCL: atom 1: phi = -0.117475213653 TCL: Center of mass = 15.0068281408 -0.784352441741 -2.12585242771 TCL: atom 1: phi = -0.117407590471 TCL: Center of mass = 15.0097609116 -0.784541657868 -2.12620652325 TCL: atom 1: phi = -0.117122730552 TCL: Center of mass = 15.0127094211 -0.784740754459 -2.12655491452 TCL: atom 1: phi = -0.117105022603 TCL: Center of mass = 15.015652528 -0.784940228861 -2.12690431577 TCL: atom 1: phi = -0.116869017259 TCL: Center of mass = 15.0185959892 -0.785141224777 -2.12725157164 TCL: atom 1: phi = -0.116853445387 TCL: Center of mass = 15.021542605 -0.78533567723 -2.1275940376 TCL: atom 1: phi = -0.116584327676 TCL: Center of mass = 15.024506948 -0.78554128695 -2.12794802349 TCL: atom 1: phi = -0.116520772703 TCL: Center of mass = 15.0274647822 -0.785734247492 -2.12830556706 TCL: atom 1: phi = -0.116165636769 TCL: Center of mass = 15.0304229343 -0.785946236736 -2.12866206523 TCL: atom 1: phi = -0.115825246887 TCL: Center of mass = 15.0333885658 -0.786166454035 -2.12901096626 TCL: atom 1: phi = -0.115075747244 TIMING: 6200 CPU: 1054.08, 0.172574/step Wall: 1289.68, 0.209889/step, 0.804573 hours remaining, 21028 kB of memory in use. ENERGY: 6200 418.4922 703.6079 409.8436 50.8522 -2787.7684 -202.6043 0.0000 0.0000 1133.8527 -273.7240 309.0066 -265.2330 -264.4985 316.9763 -330.0056 112.1431 64000.0000 465.4269 467.6994 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6200 WRITING COORDINATES TO DCD FILE AT STEP 6200 WRITING COORDINATES TO RESTART FILE AT STEP 6200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.0363678621 -0.786389047923 -2.12936311034 TCL: atom 1: phi = -0.114295489447 TCL: Center of mass = 15.0393483247 -0.786616951945 -2.12972724499 TCL: atom 1: phi = -0.113001995951 TCL: Center of mass = 15.0423395107 -0.786856833385 -2.13008214351 TCL: atom 1: phi = -0.11170275694 TCL: Center of mass = 15.0453293187 -0.787100343743 -2.13041778658 TCL: atom 1: phi = -0.109972581033 TCL: Center of mass = 15.0483202783 -0.78734404462 -2.13075834611 TCL: atom 1: phi = -0.108434830101 TCL: Center of mass = 15.0513127965 -0.787594471459 -2.13110291731 TCL: atom 1: phi = -0.106614891218 TCL: Center of mass = 15.0543175567 -0.78783955888 -2.13143626657 TCL: atom 1: phi = -0.105091429241 TCL: Center of mass = 15.0573210909 -0.788066873529 -2.13175845355 TCL: atom 1: phi = -0.103410481137 TCL: Center of mass = 15.0603190857 -0.788301519242 -2.13209422639 TCL: atom 1: phi = -0.102225135424 TCL: Center of mass = 15.0633132269 -0.788544572896 -2.13241975284 TCL: atom 1: phi = -0.100901158509 TCL: Center of mass = 15.0663017823 -0.788793055156 -2.13274695684 TCL: atom 1: phi = -0.100039208818 TCL: Center of mass = 15.0692904572 -0.789051484671 -2.13306479491 TCL: atom 1: phi = -0.0990616238157 TCL: Center of mass = 15.0722843382 -0.7893090805 -2.13338263093 TCL: atom 1: phi = -0.098554466565 TCL: Center of mass = 15.0752771221 -0.789569825081 -2.13371673978 TCL: atom 1: phi = -0.097875747188 TCL: Center of mass = 15.0782793183 -0.789834004806 -2.13403759949 TCL: atom 1: phi = -0.0976615182611 TCL: Center of mass = 15.0812923176 -0.790095554897 -2.1343570282 TCL: atom 1: phi = -0.0971768402342 TCL: Center of mass = 15.0843041485 -0.790359276264 -2.13467858456 TCL: atom 1: phi = -0.0970776935538 TCL: Center of mass = 15.0873090542 -0.790614145624 -2.13499706542 TCL: atom 1: phi = -0.0966074014388 TCL: Center of mass = 15.0903214165 -0.79085743368 -2.13532505833 TCL: atom 1: phi = -0.0964505516086 TCL: Center of mass = 15.0933365209 -0.791110372773 -2.13565247027 TCL: atom 1: phi = -0.0958339875938 TCL: Center of mass = 15.0963632578 -0.791351246774 -2.13597083382 TCL: atom 1: phi = -0.0954037880399 TCL: Center of mass = 15.0993905438 -0.791598324637 -2.13628601127 TCL: atom 1: phi = -0.0944221670878 TCL: Center of mass = 15.1024073339 -0.791845686888 -2.13658272541 TCL: atom 1: phi = -0.0936052409944 TCL: Center of mass = 15.1054303344 -0.79208528544 -2.13688248709 TCL: atom 1: phi = -0.0923072055336 TCL: Center of mass = 15.1084540593 -0.792323203707 -2.13718948516 TCL: atom 1: phi = -0.0913493092065 TCL: Center of mass = 15.111476994 -0.79256824597 -2.13748361488 TCL: atom 1: phi = -0.090012215118 TCL: Center of mass = 15.1145138331 -0.792816874833 -2.13778912972 TCL: atom 1: phi = -0.089200974162 TCL: Center of mass = 15.1175583889 -0.793080583322 -2.138091685 TCL: atom 1: phi = -0.0881688174474 TCL: Center of mass = 15.1206058244 -0.793342211984 -2.13839884783 TCL: atom 1: phi = -0.0878342793333 TCL: Center of mass = 15.1236516633 -0.793601057049 -2.1387074723 TCL: atom 1: phi = -0.0873646431647 TCL: Center of mass = 15.1267055701 -0.793857409555 -2.13900693288 TCL: atom 1: phi = -0.0875482241583 TCL: Center of mass = 15.1297590484 -0.794111991121 -2.13930429917 TCL: atom 1: phi = -0.0875282279562 TCL: Center of mass = 15.1328108178 -0.794371271146 -2.13961489225 TCL: atom 1: phi = -0.0881362906508 TCL: Center of mass = 15.135862096 -0.794622959372 -2.13991234999 TCL: atom 1: phi = -0.0885522645042 TCL: Center of mass = 15.1389077405 -0.794876928489 -2.14020776153 TCL: atom 1: phi = -0.0894395504329 TCL: Center of mass = 15.1419455371 -0.79513960568 -2.14049754835 TCL: atom 1: phi = -0.0901472338154 TCL: Center of mass = 15.1449816522 -0.795399763445 -2.14078632245 TCL: atom 1: phi = -0.0912335509502 TCL: Center of mass = 15.1480292714 -0.795653259035 -2.14107378176 TCL: atom 1: phi = -0.0920123447946 TCL: Center of mass = 15.1510816472 -0.795890935045 -2.14136209706 TCL: atom 1: phi = -0.0929456477557 TCL: Center of mass = 15.1541364465 -0.796136997998 -2.14164923339 TCL: atom 1: phi = -0.093422052048 TCL: Center of mass = 15.1571925498 -0.796384845355 -2.14194177705 TCL: atom 1: phi = -0.0938799795465 TCL: Center of mass = 15.1602499145 -0.796620948965 -2.14222341777 TCL: atom 1: phi = -0.0938056109839 TCL: Center of mass = 15.1633014613 -0.796849863999 -2.14250447939 TCL: atom 1: phi = -0.0936566158995 TCL: Center of mass = 15.1663646587 -0.797077852752 -2.14276725583 TCL: atom 1: phi = -0.0930319115653 TCL: Center of mass = 15.169425502 -0.797309213722 -2.14303299203 TCL: atom 1: phi = -0.0925148239104 TCL: Center of mass = 15.1724813625 -0.797550676252 -2.14330252363 TCL: atom 1: phi = -0.0917089870491 TCL: Center of mass = 15.1755188649 -0.797792567417 -2.14357615342 TCL: atom 1: phi = -0.0911352873917 TCL: Center of mass = 15.17856224 -0.798038473731 -2.14382710178 TCL: atom 1: phi = -0.0904276486042 TCL: Center of mass = 15.1816170172 -0.798283089872 -2.14407701361 TCL: atom 1: phi = -0.0900418610815 TCL: Center of mass = 15.184670227 -0.798538247462 -2.14432352763 TCL: atom 1: phi = -0.089580639386 TCL: Center of mass = 15.1877232695 -0.798789572213 -2.14456563398 TCL: atom 1: phi = -0.0895010395379 TCL: Center of mass = 15.1907842958 -0.799038971647 -2.14479420353 TCL: atom 1: phi = -0.0893909483559 TCL: Center of mass = 15.1938485007 -0.79928950817 -2.14500761199 TCL: atom 1: phi = -0.0896772492561 TCL: Center of mass = 15.1969195119 -0.799530192582 -2.14522745054 TCL: atom 1: phi = -0.0898930993427 TCL: Center of mass = 15.1999936196 -0.799765509639 -2.14544768694 TCL: atom 1: phi = -0.0904170256249 TCL: Center of mass = 15.2030672098 -0.79999399794 -2.1456615027 TCL: atom 1: phi = -0.0907964811043 TCL: Center of mass = 15.2061444429 -0.800220078239 -2.1458921909 TCL: atom 1: phi = -0.0914039098283 TCL: Center of mass = 15.2092141742 -0.8004400976 -2.14613492849 TCL: atom 1: phi = -0.0918436478582 TCL: Center of mass = 15.2122867886 -0.800658559777 -2.14637737868 TCL: atom 1: phi = -0.092384447543 TCL: Center of mass = 15.2153593502 -0.800882334799 -2.14660762503 TCL: atom 1: phi = -0.0926068660903 TCL: Center of mass = 15.218426599 -0.801106715086 -2.14684066323 TCL: atom 1: phi = -0.0927757040844 TCL: Center of mass = 15.2214899237 -0.801336282208 -2.14707559411 TCL: atom 1: phi = -0.0925220642073 TCL: Center of mass = 15.2245549889 -0.801574136246 -2.14731576263 TCL: atom 1: phi = -0.0921463265887 TCL: Center of mass = 15.2276010279 -0.801814147496 -2.1475621804 TCL: atom 1: phi = -0.0913700285577 TCL: Center of mass = 15.2306619943 -0.802053233884 -2.14781719981 TCL: atom 1: phi = -0.0905566529724 TCL: Center of mass = 15.2337235418 -0.802279572579 -2.14807386582 TCL: atom 1: phi = -0.0894682818422 TCL: Center of mass = 15.2367772987 -0.802504410665 -2.14832169172 TCL: atom 1: phi = -0.0884565642149 TCL: Center of mass = 15.2398450942 -0.802723628594 -2.14856205516 TCL: atom 1: phi = -0.0872528216701 TCL: Center of mass = 15.2429107756 -0.802942708264 -2.14879704736 TCL: atom 1: phi = -0.0861949639833 TCL: Center of mass = 15.2459743079 -0.803152757824 -2.14903364161 TCL: atom 1: phi = -0.0849480525085 TCL: Center of mass = 15.2490214155 -0.803365386208 -2.14927146083 TCL: atom 1: phi = -0.0838769876151 TCL: Center of mass = 15.2520663332 -0.80357390492 -2.14949562906 TCL: atom 1: phi = -0.082627987716 TCL: Center of mass = 15.2551039725 -0.803764109216 -2.14971992692 TCL: atom 1: phi = -0.0815445356341 TCL: Center of mass = 15.2581544023 -0.803957154095 -2.14994227133 TCL: atom 1: phi = -0.0802336315158 TCL: Center of mass = 15.2611971671 -0.804138777874 -2.15017154953 TCL: atom 1: phi = -0.0790866768977 TCL: Center of mass = 15.2642403727 -0.804310671098 -2.15039423057 TCL: atom 1: phi = -0.0777175795762 TCL: Center of mass = 15.2672924657 -0.804486978591 -2.15061597342 TCL: atom 1: phi = -0.0765949444406 TCL: Center of mass = 15.2703529637 -0.804653336625 -2.15082914179 TCL: atom 1: phi = -0.0752144978077 TCL: Center of mass = 15.2734228356 -0.804818368474 -2.15103963548 TCL: atom 1: phi = -0.0740690787685 TCL: Center of mass = 15.2765026916 -0.804980227907 -2.15125018201 TCL: atom 1: phi = -0.0726661394117 TCL: Center of mass = 15.2795769025 -0.805143619116 -2.15146221911 TCL: atom 1: phi = -0.0714713253677 TCL: Center of mass = 15.2826501114 -0.805304420516 -2.15166745272 TCL: atom 1: phi = -0.0699742188941 TCL: Center of mass = 15.2857237947 -0.805465129459 -2.15186390922 TCL: atom 1: phi = -0.0687081832121 TCL: Center of mass = 15.2888053398 -0.805625022264 -2.15205154524 TCL: atom 1: phi = -0.0671190930325 TCL: Center of mass = 15.2918879089 -0.805784273063 -2.15224664084 TCL: atom 1: phi = -0.0658312055178 TCL: Center of mass = 15.2949797412 -0.805946523395 -2.15244653153 TCL: atom 1: phi = -0.0643195811802 TCL: Center of mass = 15.2980699182 -0.806105577824 -2.15265483712 TCL: atom 1: phi = -0.0632082243534 TCL: Center of mass = 15.3011731416 -0.806265596645 -2.15286495048 TCL: atom 1: phi = -0.061913682108 TCL: Center of mass = 15.3042747925 -0.806439829368 -2.15306798135 TCL: atom 1: phi = -0.061177610475 TCL: Center of mass = 15.3073828899 -0.806608611564 -2.15326826789 TCL: atom 1: phi = -0.0603689956779 TCL: Center of mass = 15.310498589 -0.806775759337 -2.15346496868 TCL: atom 1: phi = -0.0600542623703 TCL: Center of mass = 15.3136128758 -0.806932157642 -2.15368331566 TCL: atom 1: phi = -0.0595704390425 TCL: Center of mass = 15.3167312796 -0.807084925969 -2.15390634473 TCL: atom 1: phi = -0.0595129066448 TCL: Center of mass = 15.3198528348 -0.807243973388 -2.15414549145 TCL: atom 1: phi = -0.0592451462731 TCL: Center of mass = 15.3229721501 -0.807401247851 -2.15438770732 TCL: atom 1: phi = -0.0594184303686 TCL: Center of mass = 15.3260932767 -0.807555442532 -2.15464229841 TCL: atom 1: phi = -0.0593930178383 TCL: Center of mass = 15.3292149221 -0.807699964778 -2.15489462188 TCL: atom 1: phi = -0.059766354399 TCL: Center of mass = 15.3323346093 -0.807842201892 -2.15513437768 TCL: atom 1: phi = -0.0599534896724 TCL: Center of mass = 15.3354611766 -0.80798219237 -2.15538274424 TCL: atom 1: phi = -0.06047979253 TCL: Center of mass = 15.3385874622 -0.808121984386 -2.15562723858 TCL: atom 1: phi = -0.060733748825 TIMING: 6300 CPU: 1071.24, 0.171574/step Wall: 1310.69, 0.210059/step, 0.799392 hours remaining, 21106 kB of memory in use. ENERGY: 6300 412.0668 698.0364 410.5737 49.5896 -2790.1970 -209.0141 0.0000 0.0000 1156.0405 -272.9041 315.0534 -263.7982 -264.8403 315.7396 689.8187 542.4209 64000.0000 323.8994 322.2314 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6300 WRITING COORDINATES TO DCD FILE AT STEP 6300 WRITING COORDINATES TO RESTART FILE AT STEP 6300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.3417069637 -0.808259153166 -2.15585705482 TCL: atom 1: phi = -0.0612532593105 TCL: Center of mass = 15.3448270394 -0.808395364005 -2.15608646597 TCL: atom 1: phi = -0.0614753453399 TCL: Center of mass = 15.3479495217 -0.808529055372 -2.15632122737 TCL: atom 1: phi = -0.0618811010934 TCL: Center of mass = 15.3510736316 -0.808673018919 -2.15655343107 TCL: atom 1: phi = -0.0620144135809 TCL: Center of mass = 15.3541932657 -0.808811915402 -2.15678122181 TCL: atom 1: phi = -0.062454330861 TCL: Center of mass = 15.3573095194 -0.808941760921 -2.15702156088 TCL: atom 1: phi = -0.0626602054847 TCL: Center of mass = 15.3604356185 -0.809068832469 -2.15724896142 TCL: atom 1: phi = -0.0631306388635 TCL: Center of mass = 15.3635592304 -0.809190841223 -2.15748867583 TCL: atom 1: phi = -0.0634257830275 TCL: Center of mass = 15.3666761493 -0.809317154233 -2.15774956363 TCL: atom 1: phi = -0.0639967816632 TCL: Center of mass = 15.3697989535 -0.809441199602 -2.15800710402 TCL: atom 1: phi = -0.064455902434 TCL: Center of mass = 15.3729256846 -0.809564936077 -2.1582598989 TCL: atom 1: phi = -0.0651426803954 TCL: Center of mass = 15.3760649136 -0.809680823476 -2.15851616543 TCL: atom 1: phi = -0.0656243236801 TCL: Center of mass = 15.3792135688 -0.809808410775 -2.15877940965 TCL: atom 1: phi = -0.0662946102296 TCL: Center of mass = 15.382372905 -0.809940183444 -2.15904360148 TCL: atom 1: phi = -0.0667452440357 TCL: Center of mass = 15.3855344053 -0.810058424823 -2.15930519998 TCL: atom 1: phi = -0.0672758355252 TCL: Center of mass = 15.3886865506 -0.810170609965 -2.1595613568 TCL: atom 1: phi = -0.0674858824137 TCL: Center of mass = 15.3918386177 -0.810290456694 -2.15981360716 TCL: atom 1: phi = -0.0677864912356 TCL: Center of mass = 15.3949953588 -0.810409469677 -2.16006111964 TCL: atom 1: phi = -0.0677479922393 TCL: Center of mass = 15.3981474336 -0.810527453459 -2.16030528926 TCL: atom 1: phi = -0.0677443583622 TCL: Center of mass = 15.4013024426 -0.81064404988 -2.16054670187 TCL: atom 1: phi = -0.0674176336678 TCL: Center of mass = 15.4044483062 -0.810772042315 -2.16078062363 TCL: atom 1: phi = -0.067102710659 TCL: Center of mass = 15.407583584 -0.810875522178 -2.16100553182 TCL: atom 1: phi = -0.0664289969321 TCL: Center of mass = 15.4107217796 -0.810977235166 -2.16123707852 TCL: atom 1: phi = -0.0658251955925 TCL: Center of mass = 15.4138649244 -0.811071026559 -2.16146991793 TCL: atom 1: phi = -0.0649279653588 TCL: Center of mass = 15.417005248 -0.811167896651 -2.16169435612 TCL: atom 1: phi = -0.0641694936542 TCL: Center of mass = 15.4201479853 -0.811270167078 -2.16192339936 TCL: atom 1: phi = -0.0632665844373 TCL: Center of mass = 15.423288679 -0.811371127708 -2.16216185576 TCL: atom 1: phi = -0.0626410022795 TCL: Center of mass = 15.4264282238 -0.811474082869 -2.16240496987 TCL: atom 1: phi = -0.0618661416624 TCL: Center of mass = 15.429567445 -0.811581878084 -2.16262600245 TCL: atom 1: phi = -0.0615056403036 TCL: Center of mass = 15.4327084863 -0.81169729181 -2.16285518089 TCL: atom 1: phi = -0.0611363763937 TCL: Center of mass = 15.4358303957 -0.811807609017 -2.16309381631 TCL: atom 1: phi = -0.0611312032984 TCL: Center of mass = 15.4389553177 -0.811914576217 -2.16333400186 TCL: atom 1: phi = -0.0610088802723 TCL: Center of mass = 15.4420894328 -0.812013444149 -2.16357037134 TCL: atom 1: phi = -0.0611422549313 TCL: Center of mass = 15.4452189271 -0.812121329076 -2.16381109276 TCL: atom 1: phi = -0.0610820247623 TCL: Center of mass = 15.448347507 -0.812234201072 -2.16404012442 TCL: atom 1: phi = -0.0611617341079 TCL: Center of mass = 15.4514788588 -0.812333223539 -2.16427090495 TCL: atom 1: phi = -0.0609235461191 TCL: Center of mass = 15.4546177657 -0.812436683804 -2.16450376518 TCL: atom 1: phi = -0.0607083048314 TCL: Center of mass = 15.4577643467 -0.812535554111 -2.16473515428 TCL: atom 1: phi = -0.0601142995967 TCL: Center of mass = 15.460916974 -0.81262299933 -2.16496617464 TCL: atom 1: phi = -0.0596139047868 TCL: Center of mass = 15.4640560384 -0.812710920935 -2.16519981576 TCL: atom 1: phi = -0.0588470293834 TCL: Center of mass = 15.4671857146 -0.81279705611 -2.16542768378 TCL: atom 1: phi = -0.0581514786506 TCL: Center of mass = 15.4703175303 -0.812883500746 -2.16565124565 TCL: atom 1: phi = -0.0571975971631 TCL: Center of mass = 15.4734596697 -0.812974694291 -2.16588397458 TCL: atom 1: phi = -0.0563360501527 TCL: Center of mass = 15.4766012679 -0.813068073354 -2.16611299413 TCL: atom 1: phi = -0.0552051830774 TCL: Center of mass = 15.4797458614 -0.813174082526 -2.16635337151 TCL: atom 1: phi = -0.0542013679813 TCL: Center of mass = 15.4828808037 -0.813293160559 -2.16661554987 TCL: atom 1: phi = -0.0529431891422 TCL: Center of mass = 15.486002436 -0.813405336877 -2.16686837245 TCL: atom 1: phi = -0.0519378949858 TCL: Center of mass = 15.4891261114 -0.813520674861 -2.16710675174 TCL: atom 1: phi = -0.0507909823043 TCL: Center of mass = 15.4922562127 -0.813641511312 -2.16733891975 TCL: atom 1: phi = -0.0501074901623 TCL: Center of mass = 15.4953934135 -0.813767915367 -2.1675746011 TCL: atom 1: phi = -0.0493854736001 TCL: Center of mass = 15.4985279102 -0.813891599097 -2.16781487942 TCL: atom 1: phi = -0.0491965125377 TCL: Center of mass = 15.501672857 -0.814031375324 -2.1680594915 TCL: atom 1: phi = -0.0489583664006 TCL: Center of mass = 15.5048157269 -0.814169257638 -2.16831012317 TCL: atom 1: phi = -0.0491859843553 TCL: Center of mass = 15.5079534579 -0.814302978245 -2.16856110386 TCL: atom 1: phi = -0.0492940852646 TCL: Center of mass = 15.5111017794 -0.814424149805 -2.16881679165 TCL: atom 1: phi = -0.0497345666286 TCL: Center of mass = 15.5142458583 -0.814541037639 -2.16905787654 TCL: atom 1: phi = -0.0499410871948 TCL: Center of mass = 15.5173907312 -0.814661306621 -2.16929509057 TCL: atom 1: phi = -0.0504202619651 TCL: Center of mass = 15.520544948 -0.814772273241 -2.16953074151 TCL: atom 1: phi = -0.0506679818467 TCL: Center of mass = 15.5236988716 -0.814891129992 -2.1697570475 TCL: atom 1: phi = -0.0511875573602 TCL: Center of mass = 15.5268547479 -0.815006717407 -2.16998936133 TCL: atom 1: phi = -0.0514669705773 TCL: Center of mass = 15.5300089918 -0.815122102393 -2.17022718949 TCL: atom 1: phi = -0.05205155661 TCL: Center of mass = 15.5331716804 -0.815246419295 -2.17047128027 TCL: atom 1: phi = -0.0523947829115 TCL: Center of mass = 15.5363424172 -0.815389807592 -2.17072430764 TCL: atom 1: phi = -0.0529640766417 TCL: Center of mass = 15.5395085792 -0.815536005605 -2.17098374058 TCL: atom 1: phi = -0.0532776649158 TCL: Center of mass = 15.5426700848 -0.815670364494 -2.1712296792 TCL: atom 1: phi = -0.0538091265073 TCL: Center of mass = 15.545825121 -0.815803581131 -2.17147344511 TCL: atom 1: phi = -0.0539613545101 TCL: Center of mass = 15.54900057 -0.815928214131 -2.17170873066 TCL: atom 1: phi = -0.0543830455634 TCL: Center of mass = 15.5521849469 -0.816049394435 -2.17195272969 TCL: atom 1: phi = -0.0545804338122 TCL: Center of mass = 15.5553655833 -0.816175753964 -2.17219022826 TCL: atom 1: phi = -0.055077278166 TCL: Center of mass = 15.5585438965 -0.816287952353 -2.1724231669 TCL: atom 1: phi = -0.0555058840139 TCL: Center of mass = 15.5617204424 -0.816401722395 -2.17265643646 TCL: atom 1: phi = -0.0563852963282 TCL: Center of mass = 15.5648935636 -0.816511878457 -2.17287673353 TCL: atom 1: phi = -0.0571959512002 TCL: Center of mass = 15.5680761623 -0.816613554155 -2.17309932026 TCL: atom 1: phi = -0.0583576523986 TCL: Center of mass = 15.5712649265 -0.816712094278 -2.17331313707 TCL: atom 1: phi = -0.0593622916035 TCL: Center of mass = 15.5744582531 -0.816813907062 -2.17353281471 TCL: atom 1: phi = -0.060548006898 TCL: Center of mass = 15.5776519508 -0.816905118587 -2.17375455803 TCL: atom 1: phi = -0.0613918991013 TCL: Center of mass = 15.5808384162 -0.817002796982 -2.17398028147 TCL: atom 1: phi = -0.0623555725128 TCL: Center of mass = 15.5840250473 -0.817091430382 -2.17420404398 TCL: atom 1: phi = -0.0629210120779 TCL: Center of mass = 15.5872131581 -0.817175987093 -2.1744226855 TCL: atom 1: phi = -0.0635064535939 TCL: Center of mass = 15.5903928398 -0.817260803961 -2.17464297271 TCL: atom 1: phi = -0.0637575046574 TCL: Center of mass = 15.5935762662 -0.817351148242 -2.17485922394 TCL: atom 1: phi = -0.0641043842378 TCL: Center of mass = 15.5967534391 -0.817425324864 -2.17508588947 TCL: atom 1: phi = -0.0642036235235 TCL: Center of mass = 15.599929261 -0.817494142557 -2.17531629061 TCL: atom 1: phi = -0.0644265534461 TCL: Center of mass = 15.6030967504 -0.817574551784 -2.17555090354 TCL: atom 1: phi = -0.0643132670395 TCL: Center of mass = 15.6062684008 -0.817648466369 -2.17578151736 TCL: atom 1: phi = -0.0643152805894 TCL: Center of mass = 15.6094283313 -0.817707953494 -2.1760214733 TCL: atom 1: phi = -0.0639844841996 TCL: Center of mass = 15.6125954374 -0.817763786476 -2.17626611432 TCL: atom 1: phi = -0.0637597055277 TCL: Center of mass = 15.6157720318 -0.81781363455 -2.17651228644 TCL: atom 1: phi = -0.0632699817568 TCL: Center of mass = 15.6189383042 -0.817868036566 -2.17674905096 TCL: atom 1: phi = -0.0630377222618 TCL: Center of mass = 15.6220975848 -0.817925631967 -2.17699327754 TCL: atom 1: phi = -0.0626507450435 TCL: Center of mass = 15.6252581103 -0.817990269619 -2.17724740337 TCL: atom 1: phi = -0.0626182899457 TCL: Center of mass = 15.6284046499 -0.818045329883 -2.17749594243 TCL: atom 1: phi = -0.0624905813282 TCL: Center of mass = 15.6315598872 -0.818099011564 -2.17776568909 TCL: atom 1: phi = -0.0628161549003 TCL: Center of mass = 15.6347120869 -0.818144833756 -2.17803384939 TCL: atom 1: phi = -0.0630363287781 TCL: Center of mass = 15.6378710352 -0.818183936719 -2.17830213777 TCL: atom 1: phi = -0.0635271922684 TCL: Center of mass = 15.6410341979 -0.818224879017 -2.17857305526 TCL: atom 1: phi = -0.0637570134622 TCL: Center of mass = 15.6441891461 -0.818265357549 -2.17884488425 TCL: atom 1: phi = -0.0641337006481 TCL: Center of mass = 15.6473508775 -0.818311929777 -2.17911637812 TCL: atom 1: phi = -0.0641840009571 TCL: Center of mass = 15.6505052631 -0.8183664505 -2.17938393057 TCL: atom 1: phi = -0.064399340479 TCL: Center of mass = 15.6536461467 -0.818416329858 -2.17965803163 TCL: atom 1: phi = -0.0644162624339 TIMING: 6400 CPU: 1088.4, 0.171564/step Wall: 1331.68, 0.209975/step, 0.79324 hours remaining, 21121 kB of memory in use. ENERGY: 6400 419.1313 684.3139 404.1630 37.5913 -2791.9029 -228.3907 0.0000 0.0000 1192.8041 -282.2900 325.0725 -273.7995 -272.0385 315.6076 247.7563 340.4687 64000.0000 686.4720 693.0677 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6400 WRITING COORDINATES TO DCD FILE AT STEP 6400 WRITING COORDINATES TO RESTART FILE AT STEP 6400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.6567888877 -0.81846335 -2.17992592169 TCL: atom 1: phi = -0.0647844828218 TCL: Center of mass = 15.6599250938 -0.81850970452 -2.18019147765 TCL: atom 1: phi = -0.0650573689302 TCL: Center of mass = 15.6630656803 -0.818555549369 -2.18046053633 TCL: atom 1: phi = -0.0656120915274 TCL: Center of mass = 15.6662086548 -0.818604850299 -2.18072147468 TCL: atom 1: phi = -0.065998519348 TCL: Center of mass = 15.6693522375 -0.818634889408 -2.18097942855 TCL: atom 1: phi = -0.0665877830622 TCL: Center of mass = 15.6724918142 -0.818651011314 -2.18125468908 TCL: atom 1: phi = -0.0668890634641 TCL: Center of mass = 15.6756330481 -0.818668071271 -2.1815357956 TCL: atom 1: phi = -0.0673249473315 TCL: Center of mass = 15.6787795707 -0.818687164093 -2.18180274697 TCL: atom 1: phi = -0.0674559842235 TCL: Center of mass = 15.6819254896 -0.81871117712 -2.1820625169 TCL: atom 1: phi = -0.0677549827306 TCL: Center of mass = 15.6850639409 -0.818727707606 -2.18233125604 TCL: atom 1: phi = -0.0678116508122 TCL: Center of mass = 15.6881955276 -0.818736669181 -2.18259318023 TCL: atom 1: phi = -0.068107299375 TCL: Center of mass = 15.6913147175 -0.818743780541 -2.18285866978 TCL: atom 1: phi = -0.068259736601 TCL: Center of mass = 15.6944375751 -0.818752209921 -2.18313755913 TCL: atom 1: phi = -0.0686855441224 TCL: Center of mass = 15.6975660125 -0.818758634153 -2.18341271387 TCL: atom 1: phi = -0.0689357530566 TCL: Center of mass = 15.7006836307 -0.818772715222 -2.18370256745 TCL: atom 1: phi = -0.0693376128447 TCL: Center of mass = 15.7037958606 -0.818792126443 -2.18398973347 TCL: atom 1: phi = -0.069403486264 TCL: Center of mass = 15.706919829 -0.818810650421 -2.18427140351 TCL: atom 1: phi = -0.0694914512816 TCL: Center of mass = 15.7100461509 -0.818838889616 -2.18455345115 TCL: atom 1: phi = -0.0691763552998 TCL: Center of mass = 15.7131669873 -0.818875884836 -2.18484064476 TCL: atom 1: phi = -0.0688929206333 TCL: Center of mass = 15.7162786618 -0.818914891994 -2.18513812881 TCL: atom 1: phi = -0.0683105208106 TCL: Center of mass = 15.7193807862 -0.818959142112 -2.185441978 TCL: atom 1: phi = -0.0679430869559 TCL: Center of mass = 15.7224915408 -0.819002995555 -2.18574638527 TCL: atom 1: phi = -0.067348973782 TCL: Center of mass = 15.7255944468 -0.819047725749 -2.18605334519 TCL: atom 1: phi = -0.0671006730539 TCL: Center of mass = 15.7286825553 -0.819089045347 -2.18636118815 TCL: atom 1: phi = -0.0666939644785 TCL: Center of mass = 15.731781686 -0.819134391332 -2.18667293689 TCL: atom 1: phi = -0.0666584121304 TCL: Center of mass = 15.7348791355 -0.819178653171 -2.18697946019 TCL: atom 1: phi = -0.0665193546436 TCL: Center of mass = 15.7379847432 -0.819227760469 -2.18729264964 TCL: atom 1: phi = -0.066687736563 TCL: Center of mass = 15.7410827157 -0.819289249153 -2.1876132132 TCL: atom 1: phi = -0.0666451654086 TCL: Center of mass = 15.7441905234 -0.819369775317 -2.18791942294 TCL: atom 1: phi = -0.0668972752117 TCL: Center of mass = 15.7472905554 -0.819454092091 -2.1882369 TCL: atom 1: phi = -0.0669412371478 TCL: Center of mass = 15.7503912753 -0.819532037838 -2.18855300067 TCL: atom 1: phi = -0.0673991765182 TCL: Center of mass = 15.7535020372 -0.819618474412 -2.18886994949 TCL: atom 1: phi = -0.0677777149876 TCL: Center of mass = 15.7566215056 -0.819697937512 -2.18919775172 TCL: atom 1: phi = -0.0686020060714 TCL: Center of mass = 15.759732159 -0.819789339286 -2.189516811 TCL: atom 1: phi = -0.0693277406108 TCL: Center of mass = 15.7628319528 -0.819882340474 -2.18982845168 TCL: atom 1: phi = -0.0703964865085 TCL: Center of mass = 15.7659316368 -0.819979013452 -2.19012792152 TCL: atom 1: phi = -0.0710960807843 TCL: Center of mass = 15.7690313383 -0.820081680291 -2.19042287466 TCL: atom 1: phi = -0.0718245900642 TCL: Center of mass = 15.7721263688 -0.820184048995 -2.19071836299 TCL: atom 1: phi = -0.0720321877083 TCL: Center of mass = 15.7752273902 -0.820279908481 -2.19101772345 TCL: atom 1: phi = -0.0722339955718 TCL: Center of mass = 15.7783277752 -0.820376897662 -2.19132426424 TCL: atom 1: phi = -0.0720308888045 TCL: Center of mass = 15.7814269721 -0.820480266597 -2.19162967047 TCL: atom 1: phi = -0.0720280487838 TCL: Center of mass = 15.7845344883 -0.820574332573 -2.19193556603 TCL: atom 1: phi = -0.0717969762486 TCL: Center of mass = 15.7876513039 -0.820663726139 -2.19225127015 TCL: atom 1: phi = -0.0719018609255 TCL: Center of mass = 15.7907671061 -0.820761407579 -2.19257144282 TCL: atom 1: phi = -0.0718727854561 TCL: Center of mass = 15.7938797592 -0.82086017975 -2.19289031965 TCL: atom 1: phi = -0.0721820891998 TCL: Center of mass = 15.7969808058 -0.820962971509 -2.1932376152 TCL: atom 1: phi = -0.0723003519799 TCL: Center of mass = 15.8000937464 -0.821070222028 -2.19358172131 TCL: atom 1: phi = -0.0726099457643 TCL: Center of mass = 15.8031973531 -0.821175552834 -2.19392832944 TCL: atom 1: phi = -0.072572619619 TCL: Center of mass = 15.8063035514 -0.821276614858 -2.19427562452 TCL: atom 1: phi = -0.0726784684966 TCL: Center of mass = 15.8094049415 -0.821367754747 -2.19461196759 TCL: atom 1: phi = -0.0724481372833 TCL: Center of mass = 15.8125176058 -0.82145264735 -2.19494003332 TCL: atom 1: phi = -0.0723921991616 TCL: Center of mass = 15.8156169428 -0.821536406975 -2.19527374606 TCL: atom 1: phi = -0.0721846311077 TCL: Center of mass = 15.8187173901 -0.821607911268 -2.19561950606 TCL: atom 1: phi = -0.0722528121161 TCL: Center of mass = 15.8218078764 -0.821660476533 -2.19594526917 TCL: atom 1: phi = -0.072071764206 TCL: Center of mass = 15.8249111935 -0.821720293514 -2.19626311439 TCL: atom 1: phi = -0.0720659363141 TCL: Center of mass = 15.8280104153 -0.821777378698 -2.1965661064 TCL: atom 1: phi = -0.0716973557777 TCL: Center of mass = 15.8311050716 -0.821835265699 -2.19686214915 TCL: atom 1: phi = -0.0713453499255 TCL: Center of mass = 15.8341906472 -0.821902865607 -2.19715866872 TCL: atom 1: phi = -0.070505782055 TCL: Center of mass = 15.8372916952 -0.821970565113 -2.19746827398 TCL: atom 1: phi = -0.06969112819 TCL: Center of mass = 15.8403955542 -0.822037851439 -2.19777051858 TCL: atom 1: phi = -0.0685199941704 TCL: Center of mass = 15.8435012641 -0.822116243148 -2.19806645074 TCL: atom 1: phi = -0.0675799729577 TCL: Center of mass = 15.8466153802 -0.822194478789 -2.19835526378 TCL: atom 1: phi = -0.0664831397516 TCL: Center of mass = 15.8497274847 -0.822272013005 -2.19863763687 TCL: atom 1: phi = -0.0658988879373 TCL: Center of mass = 15.8528488706 -0.822359237904 -2.19891467482 TCL: atom 1: phi = -0.0653011362671 TCL: Center of mass = 15.8559687264 -0.822449565185 -2.19919505437 TCL: atom 1: phi = -0.0652309213806 TCL: Center of mass = 15.859086741 -0.822536528699 -2.19948641379 TCL: atom 1: phi = -0.0650071695245 TCL: Center of mass = 15.8621989515 -0.822631205922 -2.19978351637 TCL: atom 1: phi = -0.0651917453779 TCL: Center of mass = 15.8653210726 -0.822727073171 -2.20008231526 TCL: atom 1: phi = -0.0651307419377 TCL: Center of mass = 15.8684301291 -0.822821483246 -2.20037499931 TCL: atom 1: phi = -0.0654180906252 TCL: Center of mass = 15.8715444841 -0.822918227684 -2.20067281309 TCL: atom 1: phi = -0.0654931419412 TCL: Center of mass = 15.8746586714 -0.823017877614 -2.20098306876 TCL: atom 1: phi = -0.0660013823283 TCL: Center of mass = 15.8777661857 -0.82311475965 -2.2012935502 TCL: atom 1: phi = -0.0663830052164 TCL: Center of mass = 15.8808766998 -0.823218753565 -2.20160740496 TCL: atom 1: phi = -0.067214638703 TCL: Center of mass = 15.8839808698 -0.823320111782 -2.20192815137 TCL: atom 1: phi = -0.067864136572 TCL: Center of mass = 15.8870815725 -0.823414098739 -2.20224643535 TCL: atom 1: phi = -0.0687356347753 TCL: Center of mass = 15.8901668865 -0.823500174715 -2.20257795591 TCL: atom 1: phi = -0.0692341657242 TCL: Center of mass = 15.8932355626 -0.823584294884 -2.2028994494 TCL: atom 1: phi = -0.0696999552734 TCL: Center of mass = 15.8963059089 -0.823670965055 -2.20322478387 TCL: atom 1: phi = -0.0696077376359 TCL: Center of mass = 15.8993849563 -0.823757073374 -2.20355229392 TCL: atom 1: phi = -0.069468709069 TCL: Center of mass = 15.9024631701 -0.823845091631 -2.20388914973 TCL: atom 1: phi = -0.0688276748629 TCL: Center of mass = 15.9055475041 -0.823926390262 -2.20421024705 TCL: atom 1: phi = -0.0682652655945 TCL: Center of mass = 15.9086339699 -0.823992995299 -2.20453176192 TCL: atom 1: phi = -0.0674025210722 TCL: Center of mass = 15.9117158332 -0.824074387878 -2.20485516404 TCL: atom 1: phi = -0.0668170807687 TCL: Center of mass = 15.9147943638 -0.824151284806 -2.20518427354 TCL: atom 1: phi = -0.0660386948596 TCL: Center of mass = 15.917866477 -0.824219211329 -2.20551715741 TCL: atom 1: phi = -0.0655624288715 TCL: Center of mass = 15.920946346 -0.824287865637 -2.20585629396 TCL: atom 1: phi = -0.0649415407343 TCL: Center of mass = 15.9240173159 -0.824351156482 -2.2061998234 TCL: atom 1: phi = -0.0646512079228 TCL: Center of mass = 15.9270892088 -0.824407728025 -2.20654542458 TCL: atom 1: phi = -0.0641779025223 TCL: Center of mass = 15.9301665686 -0.824463755254 -2.20689718824 TCL: atom 1: phi = -0.0639938645516 TCL: Center of mass = 15.933245823 -0.824507066344 -2.20723362136 TCL: atom 1: phi = -0.0635944684784 TCL: Center of mass = 15.9363180497 -0.824552174287 -2.20757114275 TCL: atom 1: phi = -0.0635304950573 TCL: Center of mass = 15.9394002642 -0.82460047761 -2.20790548117 TCL: atom 1: phi = -0.0632964297451 TCL: Center of mass = 15.9424727354 -0.824653115824 -2.20824677179 TCL: atom 1: phi = -0.0633857518326 TCL: Center of mass = 15.9455616819 -0.824703935188 -2.208586045 TCL: atom 1: phi = -0.0632341047842 TCL: Center of mass = 15.9486505939 -0.824750588309 -2.20893994094 TCL: atom 1: phi = -0.0633732016596 TCL: Center of mass = 15.9517419547 -0.824794542052 -2.20929072358 TCL: atom 1: phi = -0.0631080543816 TCL: Center of mass = 15.9548299184 -0.824830352212 -2.20964231048 TCL: atom 1: phi = -0.0629628004196 TCL: Center of mass = 15.9579153827 -0.824864439984 -2.21000339919 TCL: atom 1: phi = -0.0624119371738 TCL: Center of mass = 15.9610032562 -0.82491330264 -2.21036253168 TCL: atom 1: phi = -0.0619681052916 TCL: Center of mass = 15.9640825112 -0.824966711447 -2.21071289469 TCL: atom 1: phi = -0.0611442160515 TIMING: 6500 CPU: 1105.52, 0.171244/step Wall: 1352.66, 0.209758/step, 0.786593 hours remaining, 21159 kB of memory in use. ENERGY: 6500 416.9420 685.8282 419.3462 43.2920 -2797.7342 -212.6936 0.0000 0.0000 1174.6732 -270.3461 320.1313 -261.8413 -260.1415 315.2980 359.3916 501.3510 64000.0000 159.7903 149.5467 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6500 WRITING COORDINATES TO DCD FILE AT STEP 6500 WRITING COORDINATES TO RESTART FILE AT STEP 6500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 15.967171019 -0.825023633413 -2.21106513595 TCL: atom 1: phi = -0.0606101035769 TCL: Center of mass = 15.9702580167 -0.825082240483 -2.21141706732 TCL: atom 1: phi = -0.059910109629 TCL: Center of mass = 15.9733381757 -0.825136104617 -2.21177499462 TCL: atom 1: phi = -0.0596640207492 TCL: Center of mass = 15.9764258934 -0.825198289343 -2.21213952048 TCL: atom 1: phi = -0.0593659870965 TCL: Center of mass = 15.9795148407 -0.825258892765 -2.21251582625 TCL: atom 1: phi = -0.0596076151889 TCL: Center of mass = 15.9826024601 -0.8253136565 -2.21288961536 TCL: atom 1: phi = -0.0598046442067 TCL: Center of mass = 15.9856986102 -0.82537050148 -2.21327072537 TCL: atom 1: phi = -0.0605107559068 TCL: Center of mass = 15.9887936869 -0.825423419409 -2.21365132035 TCL: atom 1: phi = -0.0611728602465 TCL: Center of mass = 15.9918828095 -0.825472567789 -2.21403188315 TCL: atom 1: phi = -0.0622706631028 TCL: Center of mass = 15.9949784033 -0.825515923974 -2.21440853238 TCL: atom 1: phi = -0.0632423939995 TCL: Center of mass = 15.9980819752 -0.825546777138 -2.21478777468 TCL: atom 1: phi = -0.0645759932031 TCL: Center of mass = 16.0011900675 -0.825576336046 -2.21516524246 TCL: atom 1: phi = -0.0657046347282 TCL: Center of mass = 16.0042997334 -0.825610193053 -2.21553325079 TCL: atom 1: phi = -0.0671180018723 TCL: Center of mass = 16.0074043192 -0.825657897956 -2.21590403367 TCL: atom 1: phi = -0.0682666354706 TCL: Center of mass = 16.010502507 -0.825699583518 -2.21626891525 TCL: atom 1: phi = -0.0694977537977 TCL: Center of mass = 16.013606828 -0.825748199605 -2.21663392704 TCL: atom 1: phi = -0.070290165827 TCL: Center of mass = 16.0166925569 -0.825796992558 -2.21701492249 TCL: atom 1: phi = -0.0710406662705 TCL: Center of mass = 16.0197780889 -0.825846750631 -2.21740873857 TCL: atom 1: phi = -0.0712474618485 TCL: Center of mass = 16.0228681775 -0.82590655486 -2.21779165933 TCL: atom 1: phi = -0.0713285263159 TCL: Center of mass = 16.0259610377 -0.825951118358 -2.21816640592 TCL: atom 1: phi = -0.070909952794 TCL: Center of mass = 16.0290562794 -0.826002723564 -2.21854146121 TCL: atom 1: phi = -0.0704434623816 TCL: Center of mass = 16.0321498864 -0.826045305439 -2.21892489429 TCL: atom 1: phi = -0.0695905873764 TCL: Center of mass = 16.035240941 -0.826088089301 -2.21931585189 TCL: atom 1: phi = -0.0688867146681 TCL: Center of mass = 16.0383480025 -0.826136002872 -2.2197107551 TCL: atom 1: phi = -0.0679410210497 TCL: Center of mass = 16.0414491201 -0.82620000027 -2.22011298811 TCL: atom 1: phi = -0.0673246426718 TCL: Center of mass = 16.0445479285 -0.826265659909 -2.22050118994 TCL: atom 1: phi = -0.0665668408272 TCL: Center of mass = 16.0476545949 -0.826330625489 -2.22089800154 TCL: atom 1: phi = -0.0661929428238 TCL: Center of mass = 16.0507720779 -0.826384389345 -2.22128122487 TCL: atom 1: phi = -0.0656937425547 TCL: Center of mass = 16.0538813894 -0.826445688137 -2.221670198 TCL: atom 1: phi = -0.0656378938568 TCL: Center of mass = 16.0569947076 -0.826491645122 -2.22205626861 TCL: atom 1: phi = -0.0655000002602 TCL: Center of mass = 16.0600989346 -0.826537636378 -2.22243869131 TCL: atom 1: phi = -0.0657631873683 TCL: Center of mass = 16.0632060325 -0.826581784317 -2.22282710669 TCL: atom 1: phi = -0.0658471480545 TCL: Center of mass = 16.0663168511 -0.826633872174 -2.22320259818 TCL: atom 1: phi = -0.0663156859414 TCL: Center of mass = 16.0694267407 -0.826688858552 -2.22358737189 TCL: atom 1: phi = -0.0665302999265 TCL: Center of mass = 16.0725381715 -0.826749027825 -2.2239755153 TCL: atom 1: phi = -0.0669884909584 TCL: Center of mass = 16.0756555986 -0.826803524919 -2.22435984958 TCL: atom 1: phi = -0.0671687103379 TCL: Center of mass = 16.0787661367 -0.826856813921 -2.22473434872 TCL: atom 1: phi = -0.067530638189 TCL: Center of mass = 16.0818733997 -0.826905445104 -2.2251061587 TCL: atom 1: phi = -0.0675140540063 TCL: Center of mass = 16.0849887903 -0.826944974391 -2.22548669157 TCL: atom 1: phi = -0.0676051380887 TCL: Center of mass = 16.0881020459 -0.826986777009 -2.22587056974 TCL: atom 1: phi = -0.0673492295357 TCL: Center of mass = 16.0912218914 -0.827035817358 -2.2262505912 TCL: atom 1: phi = -0.067215692958 TCL: Center of mass = 16.0943424601 -0.827083144257 -2.22661820883 TCL: atom 1: phi = -0.0667758639378 TCL: Center of mass = 16.0974783692 -0.827124242791 -2.22698400883 TCL: atom 1: phi = -0.0665108238756 TCL: Center of mass = 16.1006134807 -0.827155837697 -2.22735206168 TCL: atom 1: phi = -0.0660675401484 TCL: Center of mass = 16.1037538594 -0.827179855782 -2.22772429644 TCL: atom 1: phi = -0.065932035472 TCL: Center of mass = 16.1068920582 -0.82720827157 -2.22808956121 TCL: atom 1: phi = -0.0656841893887 TCL: Center of mass = 16.1100273739 -0.827238239655 -2.22845615532 TCL: atom 1: phi = -0.0657837281675 TCL: Center of mass = 16.113165138 -0.827259175941 -2.22881164577 TCL: atom 1: phi = -0.0658477343866 TCL: Center of mass = 16.1163078293 -0.827279500246 -2.22917118581 TCL: atom 1: phi = -0.066300623422 TCL: Center of mass = 16.1194531515 -0.827285843671 -2.22952544156 TCL: atom 1: phi = -0.0667252141842 TCL: Center of mass = 16.1226037 -0.827303218347 -2.22988551061 TCL: atom 1: phi = -0.0674193786907 TCL: Center of mass = 16.1257518336 -0.827321820018 -2.23024492546 TCL: atom 1: phi = -0.0679691227318 TCL: Center of mass = 16.1289115103 -0.827351458487 -2.23060682169 TCL: atom 1: phi = -0.0686667243236 TCL: Center of mass = 16.1320680024 -0.827388153958 -2.23098571121 TCL: atom 1: phi = -0.0690998632839 TCL: Center of mass = 16.1352098079 -0.827427780157 -2.23136507649 TCL: atom 1: phi = -0.0695353661873 TCL: Center of mass = 16.1383469609 -0.827461967883 -2.23174423825 TCL: atom 1: phi = -0.0695715729972 TCL: Center of mass = 16.1414855159 -0.827500001854 -2.23212032477 TCL: atom 1: phi = -0.0695342427512 TCL: Center of mass = 16.1446170982 -0.827550021805 -2.2324941272 TCL: atom 1: phi = -0.0691350324895 TCL: Center of mass = 16.147744708 -0.827600385828 -2.23286812434 TCL: atom 1: phi = -0.0686911145761 TCL: Center of mass = 16.1508565131 -0.827641685808 -2.23324213589 TCL: atom 1: phi = -0.0679773955033 TCL: Center of mass = 16.1539718788 -0.827679581921 -2.23361374326 TCL: atom 1: phi = -0.0674039134086 TCL: Center of mass = 16.157084962 -0.827729528803 -2.23397765226 TCL: atom 1: phi = -0.0666129257726 TCL: Center of mass = 16.1601990802 -0.827773329533 -2.234340237 TCL: atom 1: phi = -0.0659965802921 TCL: Center of mass = 16.1633082037 -0.827818776899 -2.23470149471 TCL: atom 1: phi = -0.0651713294785 TCL: Center of mass = 16.1664238655 -0.827855811206 -2.23506673645 TCL: atom 1: phi = -0.0645786199133 TCL: Center of mass = 16.1695505525 -0.827886033576 -2.2354241261 TCL: atom 1: phi = -0.0637648503838 TCL: Center of mass = 16.1726823976 -0.827920543684 -2.23577913705 TCL: atom 1: phi = -0.0632221390883 TCL: Center of mass = 16.1758146746 -0.827963376358 -2.23613356684 TCL: atom 1: phi = -0.0626231086934 TCL: Center of mass = 16.1789444985 -0.828003281735 -2.23648671091 TCL: atom 1: phi = -0.0624335924251 TCL: Center of mass = 16.1820803124 -0.8280424887 -2.23683483333 TCL: atom 1: phi = -0.0622935526823 TCL: Center of mass = 16.1852129362 -0.828076158325 -2.23718145327 TCL: atom 1: phi = -0.0624992999876 TCL: Center of mass = 16.1883472495 -0.828110269621 -2.23752277686 TCL: atom 1: phi = -0.0626346592388 TCL: Center of mass = 16.1914916833 -0.828147278661 -2.23786491957 TCL: atom 1: phi = -0.0630244191004 TCL: Center of mass = 16.1946275845 -0.828194624328 -2.23822701251 TCL: atom 1: phi = -0.0631299462847 TCL: Center of mass = 16.1977769422 -0.828247558457 -2.23860121549 TCL: atom 1: phi = -0.0632589183567 TCL: Center of mass = 16.2009321973 -0.828299150436 -2.23897387931 TCL: atom 1: phi = -0.0629279796015 TCL: Center of mass = 16.2040889347 -0.82834028136 -2.23934975831 TCL: atom 1: phi = -0.0625605346088 TCL: Center of mass = 16.2072519099 -0.828385851449 -2.23973560732 TCL: atom 1: phi = -0.0618081058636 TCL: Center of mass = 16.2104030777 -0.82842219855 -2.24012252828 TCL: atom 1: phi = -0.0611823162972 TCL: Center of mass = 16.2135608498 -0.828459987525 -2.24050476533 TCL: atom 1: phi = -0.0603723374285 TCL: Center of mass = 16.2167177696 -0.828497284222 -2.24088095403 TCL: atom 1: phi = -0.059922264055 TCL: Center of mass = 16.2198731194 -0.828516963415 -2.24125883433 TCL: atom 1: phi = -0.0593579582443 TCL: Center of mass = 16.2230336079 -0.828528430699 -2.24163039783 TCL: atom 1: phi = -0.0591463966928 TCL: Center of mass = 16.2262009901 -0.828532278936 -2.2420085464 TCL: atom 1: phi = -0.058833265682 TCL: Center of mass = 16.2293645456 -0.828531784724 -2.24238286607 TCL: atom 1: phi = -0.0588220623206 TCL: Center of mass = 16.2325269853 -0.828531241806 -2.24275146115 TCL: atom 1: phi = -0.0586588151403 TCL: Center of mass = 16.2356936807 -0.828527061767 -2.24312656727 TCL: atom 1: phi = -0.0587618725265 TCL: Center of mass = 16.2388639117 -0.828511622719 -2.24350454092 TCL: atom 1: phi = -0.0587031525268 TCL: Center of mass = 16.2420241531 -0.828497045793 -2.2438972083 TCL: atom 1: phi = -0.0590279095143 TCL: Center of mass = 16.2451873125 -0.828480525974 -2.24429176549 TCL: atom 1: phi = -0.0593372680193 TCL: Center of mass = 16.2483361642 -0.828469875428 -2.24466981997 TCL: atom 1: phi = -0.0600937135561 TCL: Center of mass = 16.2514890963 -0.82846888415 -2.24504005204 TCL: atom 1: phi = -0.0607643062166 TCL: Center of mass = 16.254649741 -0.828471725135 -2.24540991339 TCL: atom 1: phi = -0.0617535108679 TCL: Center of mass = 16.2578155885 -0.82847391148 -2.2457759502 TCL: atom 1: phi = -0.0624514482905 TCL: Center of mass = 16.2609775999 -0.828483370318 -2.24614171953 TCL: atom 1: phi = -0.0631743024912 TCL: Center of mass = 16.2641345596 -0.828500821316 -2.24651158633 TCL: atom 1: phi = -0.0632973940258 TCL: Center of mass = 16.2672918298 -0.828527228891 -2.24687342504 TCL: atom 1: phi = -0.0632728586567 TCL: Center of mass = 16.2704430371 -0.828536886885 -2.24722808618 TCL: atom 1: phi = -0.0627151861907 TCL: Center of mass = 16.273589272 -0.828546378776 -2.2475911519 TCL: atom 1: phi = -0.0621252925132 TCL: Center of mass = 16.2767400806 -0.82856045956 -2.24795135729 TCL: atom 1: phi = -0.0611532454251 TIMING: 6600 CPU: 1122.66, 0.171374/step Wall: 1373.64, 0.209815/step, 0.780978 hours remaining, 21181 kB of memory in use. ENERGY: 6600 414.1207 711.1151 394.8883 35.8344 -2781.4478 -215.2921 0.0000 0.0000 1157.4149 -283.3665 315.4279 -274.2461 -275.3184 315.4783 360.9171 -79.6870 64000.0000 404.6056 397.8769 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6600 WRITING COORDINATES TO DCD FILE AT STEP 6600 WRITING COORDINATES TO RESTART FILE AT STEP 6600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 16.2798867512 -0.828587097716 -2.24831590705 TCL: atom 1: phi = -0.0603672858887 TCL: Center of mass = 16.2830312333 -0.828611988119 -2.24867918686 TCL: atom 1: phi = -0.0593366949472 TCL: Center of mass = 16.2861862939 -0.828629616384 -2.24904647605 TCL: atom 1: phi = -0.0585914500848 TCL: Center of mass = 16.2893471817 -0.828644292665 -2.24941647217 TCL: atom 1: phi = -0.0575698198589 TCL: Center of mass = 16.2925030006 -0.828659127051 -2.249779939 TCL: atom 1: phi = -0.0568005927327 TCL: Center of mass = 16.2956482914 -0.82866709132 -2.25013312988 TCL: atom 1: phi = -0.0557044336887 TCL: Center of mass = 16.2987991148 -0.828663321987 -2.25048113324 TCL: atom 1: phi = -0.0549183092725 TCL: Center of mass = 16.3019528699 -0.82865828038 -2.25083139407 TCL: atom 1: phi = -0.0539229973244 TCL: Center of mass = 16.3051093702 -0.828644306748 -2.25116137112 TCL: atom 1: phi = -0.0534174681702 TCL: Center of mass = 16.3082685273 -0.828636783926 -2.25147371772 TCL: atom 1: phi = -0.0527480746484 TCL: Center of mass = 16.3114159079 -0.828633966978 -2.25178228125 TCL: atom 1: phi = -0.0526009563657 TCL: Center of mass = 16.3145537643 -0.828639563776 -2.25208551631 TCL: atom 1: phi = -0.0523057433957 TCL: Center of mass = 16.3177046869 -0.828650465682 -2.25239291996 TCL: atom 1: phi = -0.0524421559422 TCL: Center of mass = 16.3208564635 -0.828656632639 -2.25269901463 TCL: atom 1: phi = -0.0522454249726 TCL: Center of mass = 16.3240184763 -0.828684166865 -2.25300811662 TCL: atom 1: phi = -0.0522500320498 TCL: Center of mass = 16.3271810546 -0.828707976241 -2.25331007538 TCL: atom 1: phi = -0.051650627749 TCL: Center of mass = 16.3303387621 -0.828731793995 -2.25361493715 TCL: atom 1: phi = -0.0511266279016 TCL: Center of mass = 16.3334861919 -0.828762965294 -2.25391551368 TCL: atom 1: phi = -0.0500206166808 TCL: Center of mass = 16.3366338535 -0.828783738185 -2.25421798989 TCL: atom 1: phi = -0.049199211211 TCL: Center of mass = 16.3397800759 -0.828794394866 -2.25452044022 TCL: atom 1: phi = -0.0480633231788 TCL: Center of mass = 16.3429228879 -0.828806499175 -2.25482201525 TCL: atom 1: phi = -0.047601662153 TCL: Center of mass = 16.3460731933 -0.828804932859 -2.25513497421 TCL: atom 1: phi = -0.0470434613093 TCL: Center of mass = 16.3492189281 -0.828798524132 -2.25546132035 TCL: atom 1: phi = -0.0472209061979 TCL: Center of mass = 16.3523592541 -0.828797621577 -2.25579328281 TCL: atom 1: phi = -0.0472225878715 TCL: Center of mass = 16.3554967573 -0.828796108305 -2.25612320214 TCL: atom 1: phi = -0.0478632198721 TCL: Center of mass = 16.3586255462 -0.828796335667 -2.25645489247 TCL: atom 1: phi = -0.0482879421973 TCL: Center of mass = 16.361762234 -0.828788821485 -2.25678638823 TCL: atom 1: phi = -0.0491853407299 TCL: Center of mass = 16.3648982968 -0.82877792394 -2.25711351917 TCL: atom 1: phi = -0.0498417703018 TCL: Center of mass = 16.3680380583 -0.828756888219 -2.25744950376 TCL: atom 1: phi = -0.0510728703388 TCL: Center of mass = 16.3711725046 -0.828736056857 -2.25778180856 TCL: atom 1: phi = -0.0522353910558 TCL: Center of mass = 16.3743047438 -0.828714428362 -2.2580969221 TCL: atom 1: phi = -0.05399428972 TCL: Center of mass = 16.3774460583 -0.828684032415 -2.25840252449 TCL: atom 1: phi = -0.0556901204512 TCL: Center of mass = 16.3805892881 -0.828645777709 -2.25870003344 TCL: atom 1: phi = -0.0578204822758 TCL: Center of mass = 16.3837314022 -0.828601944595 -2.25900946634 TCL: atom 1: phi = -0.059661535738 TCL: Center of mass = 16.3868687821 -0.828575558671 -2.25931630326 TCL: atom 1: phi = -0.061494505258 TCL: Center of mass = 16.3899929519 -0.82855349568 -2.2596296099 TCL: atom 1: phi = -0.062703994272 TCL: Center of mass = 16.3931189713 -0.828532582724 -2.25994400522 TCL: atom 1: phi = -0.0636460507009 TCL: Center of mass = 16.3962400574 -0.82851552249 -2.26026534695 TCL: atom 1: phi = -0.0638589097373 TCL: Center of mass = 16.3993724609 -0.82849669632 -2.2605922845 TCL: atom 1: phi = -0.0638426577674 TCL: Center of mass = 16.402511158 -0.828485258032 -2.26092885018 TCL: atom 1: phi = -0.0633959590528 TCL: Center of mass = 16.4056559201 -0.828477908854 -2.26127492679 TCL: atom 1: phi = -0.0630111764396 TCL: Center of mass = 16.4087953666 -0.828474007953 -2.2616256631 TCL: atom 1: phi = -0.0623381425346 TCL: Center of mass = 16.411933682 -0.828465807081 -2.26197961484 TCL: atom 1: phi = -0.0618078899557 TCL: Center of mass = 16.4150714782 -0.82845301822 -2.26232700707 TCL: atom 1: phi = -0.0610156273116 TCL: Center of mass = 16.4182023419 -0.828443018181 -2.26268248099 TCL: atom 1: phi = -0.0602637724329 TCL: Center of mass = 16.4213328811 -0.828434281541 -2.26304346915 TCL: atom 1: phi = -0.0590948638793 TCL: Center of mass = 16.4244650526 -0.828433667993 -2.26338783373 TCL: atom 1: phi = -0.0578828401082 TCL: Center of mass = 16.427610699 -0.828429853616 -2.26372037032 TCL: atom 1: phi = -0.0562323722264 TCL: Center of mass = 16.4307662772 -0.828425109313 -2.26404542107 TCL: atom 1: phi = -0.0546792375346 TCL: Center of mass = 16.4339154288 -0.82841711994 -2.26436660658 TCL: atom 1: phi = -0.0529341194546 TCL: Center of mass = 16.4370690666 -0.828429929707 -2.26469564346 TCL: atom 1: phi = -0.0516259519965 TCL: Center of mass = 16.4402216747 -0.828440728955 -2.2650189667 TCL: atom 1: phi = -0.0503673904149 TCL: Center of mass = 16.4433804482 -0.828457852653 -2.26533067361 TCL: atom 1: phi = -0.049590784048 TCL: Center of mass = 16.4465483194 -0.828487398255 -2.2656349848 TCL: atom 1: phi = -0.0487202378526 TCL: Center of mass = 16.4497133797 -0.82852439825 -2.26592913169 TCL: atom 1: phi = -0.0481315079214 TCL: Center of mass = 16.4528800951 -0.828566393175 -2.26622511386 TCL: atom 1: phi = -0.0472475960281 TCL: Center of mass = 16.4560351393 -0.828592627793 -2.26651987287 TCL: atom 1: phi = -0.0464466495986 TCL: Center of mass = 16.4591946977 -0.82862268345 -2.26682487856 TCL: atom 1: phi = -0.0451971957001 TCL: Center of mass = 16.462353692 -0.828662401472 -2.26713251593 TCL: atom 1: phi = -0.0440107475892 TCL: Center of mass = 16.4655103649 -0.82869629039 -2.26744168522 TCL: atom 1: phi = -0.0425264471053 TCL: Center of mass = 16.4686620743 -0.828733665777 -2.26774676558 TCL: atom 1: phi = -0.0414765910531 TCL: Center of mass = 16.4718100561 -0.828773260164 -2.26805886734 TCL: atom 1: phi = -0.0404249103071 TCL: Center of mass = 16.4749466289 -0.828825937407 -2.26835791899 TCL: atom 1: phi = -0.0400079962795 TCL: Center of mass = 16.478075949 -0.828876215873 -2.2686513176 TCL: atom 1: phi = -0.0396629071491 TCL: Center of mass = 16.4812074853 -0.82893586069 -2.26895352159 TCL: atom 1: phi = -0.0398124473994 TCL: Center of mass = 16.4843477334 -0.829008016902 -2.26925839149 TCL: atom 1: phi = -0.0398355599868 TCL: Center of mass = 16.4874871553 -0.829083826931 -2.26955739522 TCL: atom 1: phi = -0.0401769611965 TCL: Center of mass = 16.4906263285 -0.829156722104 -2.26985057008 TCL: atom 1: phi = -0.0402252195569 TCL: Center of mass = 16.4937587113 -0.829228393796 -2.27013506001 TCL: atom 1: phi = -0.0404933140048 TCL: Center of mass = 16.4969025036 -0.829294718585 -2.27041959565 TCL: atom 1: phi = -0.040597922682 TCL: Center of mass = 16.500047228 -0.829362965211 -2.27070163887 TCL: atom 1: phi = -0.0410877752277 TCL: Center of mass = 16.503191643 -0.829432772564 -2.27097962606 TCL: atom 1: phi = -0.041476953124 TCL: Center of mass = 16.5063387893 -0.829510380125 -2.27125258884 TCL: atom 1: phi = -0.0423346596055 TCL: Center of mass = 16.5094770519 -0.8295763129 -2.27152062614 TCL: atom 1: phi = -0.043022908904 TCL: Center of mass = 16.5126215558 -0.82962484203 -2.27177667107 TCL: atom 1: phi = -0.0439417978729 TCL: Center of mass = 16.5157774182 -0.829686569231 -2.27203705588 TCL: atom 1: phi = -0.0445332264056 TCL: Center of mass = 16.5189278255 -0.829760377119 -2.27229656144 TCL: atom 1: phi = -0.0451208157676 TCL: Center of mass = 16.5220906664 -0.829817546034 -2.27254938722 TCL: atom 1: phi = -0.0451643355902 TCL: Center of mass = 16.5252513321 -0.82988025037 -2.27280614835 TCL: atom 1: phi = -0.0451196548397 TCL: Center of mass = 16.5284122802 -0.82995380979 -2.27306323461 TCL: atom 1: phi = -0.0446752145223 TCL: Center of mass = 16.5315792081 -0.830021001752 -2.27333458557 TCL: atom 1: phi = -0.0443788927911 TCL: Center of mass = 16.5347560125 -0.830079456166 -2.27361374442 TCL: atom 1: phi = -0.0439010278961 TCL: Center of mass = 16.5379395299 -0.830141921352 -2.27388240624 TCL: atom 1: phi = -0.0437713897938 TCL: Center of mass = 16.5411161731 -0.830196650868 -2.27413630174 TCL: atom 1: phi = -0.0435596749053 TCL: Center of mass = 16.5443036065 -0.830250331172 -2.27439354251 TCL: atom 1: phi = -0.0436284140665 TCL: Center of mass = 16.54749538 -0.830287662669 -2.27465195251 TCL: atom 1: phi = -0.0434790627003 TCL: Center of mass = 16.5506876396 -0.830311397569 -2.27490757486 TCL: atom 1: phi = -0.0434177272633 TCL: Center of mass = 16.5538792585 -0.830334103907 -2.27515680867 TCL: atom 1: phi = -0.042959561016 TCL: Center of mass = 16.5570741459 -0.830365426682 -2.27540762864 TCL: atom 1: phi = -0.042487710542 TCL: Center of mass = 16.5602730956 -0.830392060568 -2.27566484661 TCL: atom 1: phi = -0.0416169603387 TCL: Center of mass = 16.5634716126 -0.830411076416 -2.27592361266 TCL: atom 1: phi = -0.040859118251 TCL: Center of mass = 16.5666726107 -0.83042467419 -2.27617520679 TCL: atom 1: phi = -0.0399049909703 TCL: Center of mass = 16.5698753299 -0.830430791204 -2.27641843978 TCL: atom 1: phi = -0.0392213798196 TCL: Center of mass = 16.5730777908 -0.83045201278 -2.27666411928 TCL: atom 1: phi = -0.0384619626894 TCL: Center of mass = 16.5762741697 -0.830470758157 -2.27689809867 TCL: atom 1: phi = -0.0380113884006 TCL: Center of mass = 16.5794818326 -0.830496641544 -2.2771345353 TCL: atom 1: phi = -0.0373313742047 TCL: Center of mass = 16.5826823126 -0.83052209373 -2.27736782138 TCL: atom 1: phi = -0.0368031790981 TCL: Center of mass = 16.5858750087 -0.83054083423 -2.27761550342 TCL: atom 1: phi = -0.0358950027095 TCL: Center of mass = 16.5890689869 -0.830557014073 -2.27786625784 TCL: atom 1: phi = -0.0350411316011 TCL: Center of mass = 16.5922514498 -0.830569621807 -2.27812239823 TCL: atom 1: phi = -0.0339023092016 TIMING: 6700 CPU: 1139.81, 0.171554/step Wall: 1394.65, 0.210107/step, 0.776229 hours remaining, 21195 kB of memory in use. ENERGY: 6700 401.0723 684.3266 410.7512 44.6326 -2767.0213 -224.5393 0.0000 0.0000 1165.3075 -285.4703 317.5789 -277.1204 -275.4017 313.9676 770.1245 399.2795 64000.0000 434.1732 446.2650 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6700 WRITING COORDINATES TO DCD FILE AT STEP 6700 WRITING COORDINATES TO RESTART FILE AT STEP 6700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 6700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 16.5954408235 -0.830579065809 -2.2783812672 TCL: atom 1: phi = -0.0329773761904 TCL: Center of mass = 16.5986347952 -0.830584348715 -2.27862799431 TCL: atom 1: phi = -0.0320448858033 TCL: Center of mass = 16.6018310841 -0.830605120438 -2.27887211875 TCL: atom 1: phi = -0.0316211525358 TCL: Center of mass = 16.6050308948 -0.830615927223 -2.27911670581 TCL: atom 1: phi = -0.0312820254864 TCL: Center of mass = 16.6082415888 -0.830634713307 -2.27935846836 TCL: atom 1: phi = -0.031460014291 TCL: Center of mass = 16.6114495413 -0.830624983226 -2.27959751657 TCL: atom 1: phi = -0.0316501613926 TCL: Center of mass = 16.6146543205 -0.830611059094 -2.27984010628 TCL: atom 1: phi = -0.0321680545039 TCL: Center of mass = 16.6178503397 -0.830596447459 -2.28007686871 TCL: atom 1: phi = -0.0324952802058 TCL: Center of mass = 16.6210431969 -0.830577851526 -2.2803038011 TCL: atom 1: phi = -0.032953067277 TCL: Center of mass = 16.624218867 -0.830550017223 -2.28053669653 TCL: atom 1: phi = -0.0330615265717 TCL: Center of mass = 16.6273912761 -0.830511115138 -2.28077088692 TCL: atom 1: phi = -0.0332844258022 TCL: Center of mass = 16.6305701121 -0.830465582983 -2.28099706322 TCL: atom 1: phi = -0.0332587810624 TCL: Center of mass = 16.6337535329 -0.830421569559 -2.28123020607 TCL: atom 1: phi = -0.0334611053497 TCL: Center of mass = 16.6369387077 -0.830379128943 -2.28146697432 TCL: atom 1: phi = -0.0334991115998 TCL: Center of mass = 16.6401238633 -0.830350929829 -2.28170553612 TCL: atom 1: phi = -0.0337862048696 TCL: Center of mass = 16.6433139359 -0.830329008757 -2.28194219792 TCL: atom 1: phi = -0.0339129167055 TCL: Center of mass = 16.6465074527 -0.830310977516 -2.28218366213 TCL: atom 1: phi = -0.0341987871908 TCL: Center of mass = 16.6497043999 -0.830299730632 -2.28242686814 TCL: atom 1: phi = -0.0341330568802 TCL: Center of mass = 16.6529018932 -0.83028434297 -2.28267445547 TCL: atom 1: phi = -0.0340830913108 TCL: Center of mass = 16.656102542 -0.830269523948 -2.28291656351 TCL: atom 1: phi = -0.0336122900394 TCL: Center of mass = 16.6593060175 -0.830256202754 -2.28316022763 TCL: atom 1: phi = -0.0332553891933 TCL: Center of mass = 16.6625058114 -0.830233761678 -2.28339032946 TCL: atom 1: phi = -0.0326488942556 TCL: Center of mass = 16.6657017584 -0.830214781237 -2.28360989129 TCL: atom 1: phi = -0.0323634691247 TCL: Center of mass = 16.6688961602 -0.830187512424 -2.28382823406 TCL: atom 1: phi = -0.0320102532379 TCL: Center of mass = 16.6720858546 -0.830156962662 -2.28404764315 TCL: atom 1: phi = -0.0321174837705 TCL: Center of mass = 16.6752747002 -0.830116254301 -2.2842793216 TCL: atom 1: phi = -0.0321788034351 TCL: Center of mass = 16.6784582427 -0.830078881612 -2.28451388795 TCL: atom 1: phi = -0.0327097590147 TCL: Center of mass = 16.6816380466 -0.830049681316 -2.28473824879 TCL: atom 1: phi = -0.0330417753047 TCL: Center of mass = 16.6848304776 -0.830018565381 -2.2849666146 TCL: atom 1: phi = -0.0336467278167 TCL: Center of mass = 16.688032955 -0.830005539641 -2.28519949733 TCL: atom 1: phi = -0.0338916982295 TCL: Center of mass = 16.6912268498 -0.829984943793 -2.28544560498 TCL: atom 1: phi = -0.0343017941183 TCL: Center of mass = 16.6944175484 -0.829960141161 -2.28569206863 TCL: atom 1: phi = -0.0343465091551 TCL: Center of mass = 16.6976061886 -0.82993879725 -2.28595114602 TCL: atom 1: phi = -0.0345530001073 TCL: Center of mass = 16.7007959232 -0.829923954093 -2.28620030955 TCL: atom 1: phi = -0.0345302848251 TCL: Center of mass = 16.7039809964 -0.829903446529 -2.2864352544 TCL: atom 1: phi = -0.0348401247162 TCL: Center of mass = 16.7071724551 -0.829891148257 -2.286680378 TCL: atom 1: phi = -0.0349637348236 TCL: Center of mass = 16.7103730136 -0.829883844278 -2.286934312 TCL: atom 1: phi = -0.0354054458657 TCL: Center of mass = 16.7135602559 -0.829881283173 -2.28719252182 TCL: atom 1: phi = -0.0355865911375 TCL: Center of mass = 16.716740549 -0.829876650273 -2.28745432784 TCL: atom 1: phi = -0.0359256593302 TCL: Center of mass = 16.719917553 -0.829877606565 -2.28772886156 TCL: atom 1: phi = -0.0360188374219 TCL: Center of mass = 16.7231137792 -0.829888248354 -2.28799838033 TCL: atom 1: phi = -0.0363262666263 TCL: Center of mass = 16.726302981 -0.829910283051 -2.28826288627 TCL: atom 1: phi = -0.0363828476014 TCL: Center of mass = 16.7294956504 -0.829929158738 -2.28853505294 TCL: atom 1: phi = -0.0367776578014 TCL: Center of mass = 16.7326863569 -0.829953173135 -2.28881744166 TCL: atom 1: phi = -0.0370243129114 TCL: Center of mass = 16.735885518 -0.829988735082 -2.28910175655 TCL: atom 1: phi = -0.0376652063494 TCL: Center of mass = 16.7390871351 -0.830025842966 -2.2893797937 TCL: atom 1: phi = -0.0383225914017 TCL: Center of mass = 16.7422898415 -0.830065644148 -2.28964998246 TCL: atom 1: phi = -0.0393653057632 TCL: Center of mass = 16.7454935689 -0.830096522379 -2.28991455237 TCL: atom 1: phi = -0.0403208394873 TCL: Center of mass = 16.7486917801 -0.830124298024 -2.29017036675 TCL: atom 1: phi = -0.0414564219905 TCL: Center of mass = 16.7519011201 -0.830156363975 -2.2904262208 TCL: atom 1: phi = -0.0423448864726 TCL: Center of mass = 16.7551209972 -0.830184175674 -2.29068276581 TCL: atom 1: phi = -0.0432221883005 TCL: Center of mass = 16.7583495938 -0.830212565883 -2.29095051962 TCL: atom 1: phi = -0.0437561829704 TCL: Center of mass = 16.7615733946 -0.830252164859 -2.29121765531 TCL: atom 1: phi = -0.0442567235378 TCL: Center of mass = 16.7647992794 -0.830290373993 -2.29148411312 TCL: atom 1: phi = -0.044436565385 TCL: Center of mass = 16.7680244413 -0.830329726611 -2.29175458896 TCL: atom 1: phi = -0.0446539615676 TCL: Center of mass = 16.771243041 -0.830372407314 -2.2920076868 TCL: atom 1: phi = -0.0445951068838 TCL: Center of mass = 16.7744597446 -0.830410670392 -2.2922599787 TCL: atom 1: phi = -0.044659167481 TCL: Center of mass = 16.7776766475 -0.830449733114 -2.29251265019 TCL: atom 1: phi = -0.0445109646227 TCL: Center of mass = 16.7808906812 -0.830484541167 -2.2927666406 TCL: atom 1: phi = -0.0444016053642 TCL: Center of mass = 16.7841018388 -0.830528322949 -2.29301840684 TCL: atom 1: phi = -0.0439870359037 TCL: Center of mass = 16.7873103274 -0.830556292227 -2.29327889052 TCL: atom 1: phi = -0.0435483664255 TCL: Center of mass = 16.7905242856 -0.830580923549 -2.29353567302 TCL: atom 1: phi = -0.0428145504692 TCL: Center of mass = 16.7937455444 -0.83059946123 -2.29378692357 TCL: atom 1: phi = -0.042096760496 TCL: Center of mass = 16.7969817307 -0.830612311605 -2.29404124848 TCL: atom 1: phi = -0.0411691081771 TCL: Center of mass = 16.8002195389 -0.830631880421 -2.29429577981 TCL: atom 1: phi = -0.0403862197106 TCL: Center of mass = 16.803460272 -0.830658413354 -2.29456223179 TCL: atom 1: phi = -0.0394335573084 TCL: Center of mass = 16.8066936182 -0.83067497233 -2.29482650346 TCL: atom 1: phi = -0.0387134386963 TCL: Center of mass = 16.8099251611 -0.830700076495 -2.29508940657 TCL: atom 1: phi = -0.0378927314646 TCL: Center of mass = 16.8131720027 -0.830730951888 -2.29535183913 TCL: atom 1: phi = -0.0372298892648 TCL: Center of mass = 16.8164162029 -0.830764880423 -2.29562112447 TCL: atom 1: phi = -0.0362927625311 TCL: Center of mass = 16.8196680241 -0.830806569642 -2.29587317714 TCL: atom 1: phi = -0.0354455844171 TCL: Center of mass = 16.822903919 -0.830843770141 -2.29612767821 TCL: atom 1: phi = -0.0342572936004 TCL: Center of mass = 16.8261399331 -0.830873406817 -2.29638497991 TCL: atom 1: phi = -0.0330761779378 TCL: Center of mass = 16.8293762412 -0.830899678383 -2.29663515712 TCL: atom 1: phi = -0.0315783598331 TCL: Center of mass = 16.8326089056 -0.830932594091 -2.2968785991 TCL: atom 1: phi = -0.0301789462536 TCL: Center of mass = 16.8358250369 -0.830965336844 -2.29713680236 TCL: atom 1: phi = -0.0285713493467 TCL: Center of mass = 16.839043468 -0.831011823299 -2.29738210842 TCL: atom 1: phi = -0.0272522229801 TCL: Center of mass = 16.8422618806 -0.831055341281 -2.29761802202 TCL: atom 1: phi = -0.0257896828226 TCL: Center of mass = 16.8454701986 -0.831087196181 -2.29785701305 TCL: atom 1: phi = -0.0246722271192 TCL: Center of mass = 16.8486812702 -0.831114780632 -2.29808525962 TCL: atom 1: phi = -0.023437609831 TCL: Center of mass = 16.8518949852 -0.831147716346 -2.29831589036 TCL: atom 1: phi = -0.0225105742416 TCL: Center of mass = 16.8551147041 -0.831182171094 -2.29854738544 TCL: atom 1: phi = -0.0213465726344 TCL: Center of mass = 16.8583447189 -0.831214617124 -2.29877031304 TCL: atom 1: phi = -0.0204286103083 TCL: Center of mass = 16.8615768662 -0.831253350789 -2.29899502496 TCL: atom 1: phi = -0.0192880508133 TCL: Center of mass = 16.8648093289 -0.831282738486 -2.299206359 TCL: atom 1: phi = -0.0185316058178 TCL: Center of mass = 16.8680447213 -0.831317941856 -2.29941035349 TCL: atom 1: phi = -0.017683855484 TCL: Center of mass = 16.8712754955 -0.831354497751 -2.29961597997 TCL: atom 1: phi = -0.0173600341318 TCL: Center of mass = 16.8745040611 -0.831390084659 -2.29983538154 TCL: atom 1: phi = -0.0170191878169 TCL: Center of mass = 16.8777268864 -0.831423897381 -2.30004879318 TCL: atom 1: phi = -0.0171605610589 TCL: Center of mass = 16.8809580503 -0.831454070591 -2.30025044437 TCL: atom 1: phi = -0.0171054380194 TCL: Center of mass = 16.8841885989 -0.831482249059 -2.30046267319 TCL: atom 1: phi = -0.01733864779 TCL: Center of mass = 16.8874306905 -0.831509351042 -2.30065783142 TCL: atom 1: phi = -0.0171468704344 TCL: Center of mass = 16.8906718881 -0.831536127306 -2.3008529467 TCL: atom 1: phi = -0.0170465910178 TCL: Center of mass = 16.8939093742 -0.831557152672 -2.30107284051 TCL: atom 1: phi = -0.0164329881854 TCL: Center of mass = 16.8971532368 -0.831573154847 -2.3012848352 TCL: atom 1: phi = -0.0159392077579 TCL: Center of mass = 16.9003860623 -0.831589970752 -2.30148806437 TCL: atom 1: phi = -0.0150517953018 TCL: Center of mass = 16.903616817 -0.831607171749 -2.30168936874 TCL: atom 1: phi = -0.0144792620747 TCL: Center of mass = 16.9068465398 -0.831624155599 -2.30189992487 TCL: atom 1: phi = -0.013670526701 TCL: Center of mass = 16.9100667578 -0.831648174875 -2.30211316011 TCL: atom 1: phi = -0.0133119693927 TCL: Center of mass = 16.9132935174 -0.831684953763 -2.3023247527 TCL: atom 1: phi = -0.0127169469368 TIMING: 6800 CPU: 1156.97, 0.171544/step Wall: 1415.65, 0.210011/step, 0.77004 hours remaining, 21234 kB of memory in use. ENERGY: 6800 400.9767 688.4268 407.6421 46.8318 -2788.1614 -203.5077 0.0000 0.0000 1144.7525 -303.0392 311.9771 -294.1654 -294.2496 314.3182 754.5677 693.0251 64000.0000 372.7560 374.8193 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6800 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 TCL: Center of mass = 16.91651251 -0.831727729709 -2.30252024277 TCL: atom 1: phi = -0.0125803095875 TCL: Center of mass = 16.9197190366 -0.83176857686 -2.3027187241 TCL: atom 1: phi = -0.0121569876047 TCL: Center of mass = 16.9229182809 -0.831807030089 -2.30289613191 TCL: atom 1: phi = -0.0121294819114 TCL: Center of mass = 16.9261160911 -0.831840457035 -2.30307784239 TCL: atom 1: phi = -0.0118256626416 TCL: Center of mass = 16.929311245 -0.831870331663 -2.30326141479 TCL: atom 1: phi = -0.0119142579153 TCL: Center of mass = 16.9325079672 -0.831898871921 -2.30344870158 TCL: atom 1: phi = -0.0118106862105 TCL: Center of mass = 16.9357083115 -0.83193504808 -2.30362675771 TCL: atom 1: phi = -0.0122239519126 TCL: Center of mass = 16.9389194115 -0.83197018875 -2.30379286664 TCL: atom 1: phi = -0.0124670251564 TCL: Center of mass = 16.9421466133 -0.831987869548 -2.30395360011 TCL: atom 1: phi = -0.0132037501108 TCL: Center of mass = 16.9453677164 -0.832008218257 -2.30412077697 TCL: atom 1: phi = -0.013789568907 TCL: Center of mass = 16.9485862858 -0.832021239935 -2.30429116945 TCL: atom 1: phi = -0.0147117487827 TCL: Center of mass = 16.9518124897 -0.832022223018 -2.30446750335 TCL: atom 1: phi = -0.0153174680657 TCL: Center of mass = 16.9550321389 -0.832030472891 -2.30464470046 TCL: atom 1: phi = -0.0161315707617 TCL: Center of mass = 16.9582619416 -0.832024206411 -2.30481993937 TCL: atom 1: phi = -0.0164673509396 TCL: Center of mass = 16.961487696 -0.832028457262 -2.30499915639 TCL: atom 1: phi = -0.0169177252421 TCL: Center of mass = 16.964721879 -0.832021897324 -2.30517614721 TCL: atom 1: phi = -0.0170164402991 TCL: Center of mass = 16.9679495918 -0.832006736229 -2.30536591977 TCL: atom 1: phi = -0.0173416410765 TCL: Center of mass = 16.9711745787 -0.831990309029 -2.30556472356 TCL: atom 1: phi = -0.017453328368 TCL: Center of mass = 16.9743989906 -0.831983459661 -2.30577386173 TCL: atom 1: phi = -0.0179288128453 TCL: Center of mass = 16.9776250943 -0.831986378539 -2.3059833107 TCL: atom 1: phi = -0.0182708642098 TCL: Center of mass = 16.9808503597 -0.831971033062 -2.30620095359 TCL: atom 1: phi = -0.0189346063861 TCL: Center of mass = 16.9840771755 -0.83195615826 -2.30641981266 TCL: atom 1: phi = -0.0194117709866 TCL: Center of mass = 16.9873024604 -0.831952018173 -2.30664160813 TCL: atom 1: phi = -0.0200343397412 TCL: Center of mass = 16.9905321051 -0.831956946282 -2.30685759003 TCL: atom 1: phi = -0.0204227720515 TCL: Center of mass = 16.9937525836 -0.831964085197 -2.30708888297 TCL: atom 1: phi = -0.0209735247325 TCL: Center of mass = 16.9969782808 -0.831969821316 -2.30731145265 TCL: atom 1: phi = -0.0212657916097 TCL: Center of mass = 17.000208392 -0.831979812862 -2.30753761291 TCL: atom 1: phi = -0.0217675164413 TCL: Center of mass = 17.0034368603 -0.831990218258 -2.30777148941 TCL: atom 1: phi = -0.0220477609434 TCL: Center of mass = 17.0066660856 -0.832011895076 -2.30800958042 TCL: atom 1: phi = -0.0226084480349 TCL: Center of mass = 17.0098979055 -0.832030525366 -2.30824145273 TCL: atom 1: phi = -0.0230427518489 TCL: Center of mass = 17.0131206226 -0.832057929026 -2.30846812634 TCL: atom 1: phi = -0.0236603335629 TCL: Center of mass = 17.0163489814 -0.832092280119 -2.30869273974 TCL: atom 1: phi = -0.0239519027636 TCL: Center of mass = 17.0195763312 -0.832137752037 -2.30892271455 TCL: atom 1: phi = -0.024305134957 TCL: Center of mass = 17.0228039439 -0.832189529436 -2.309148045 TCL: atom 1: phi = -0.0242165239741 TCL: Center of mass = 17.026032914 -0.832230931518 -2.30938235846 TCL: atom 1: phi = -0.0241442854206 TCL: Center of mass = 17.0292709079 -0.832277060847 -2.30962325901 TCL: atom 1: phi = -0.0237300635881 TCL: Center of mass = 17.0325081758 -0.832313159844 -2.30986007683 TCL: atom 1: phi = -0.0234410747564 TCL: Center of mass = 17.035745707 -0.832354228291 -2.3100984156 TCL: atom 1: phi = -0.0229642296349 TCL: Center of mass = 17.0389874682 -0.83239459422 -2.31034445385 TCL: atom 1: phi = -0.0228153621408 TCL: Center of mass = 17.0422204955 -0.832431277951 -2.31059641853 TCL: atom 1: phi = -0.022583347162 TCL: Center of mass = 17.0454648853 -0.832465064383 -2.31084352635 TCL: atom 1: phi = -0.0226935533553 TCL: Center of mass = 17.0487168103 -0.832501376073 -2.3110927425 TCL: atom 1: phi = -0.0226943911468 TCL: Center of mass = 17.0519549527 -0.832534416375 -2.31134127133 TCL: atom 1: phi = -0.023015123454 TCL: Center of mass = 17.0552028408 -0.83256657726 -2.31158119508 TCL: atom 1: phi = -0.0231521741147 TCL: Center of mass = 17.0584561328 -0.832593502193 -2.31182505471 TCL: atom 1: phi = -0.023515077996 TCL: Center of mass = 17.0616983087 -0.832623078213 -2.3120733719 TCL: atom 1: phi = -0.0236547201412 TCL: Center of mass = 17.0649384972 -0.832642737131 -2.31231216205 TCL: atom 1: phi = -0.0240424573124 TCL: Center of mass = 17.0681858387 -0.832659210377 -2.3125528652 TCL: atom 1: phi = -0.0242828466207 TCL: Center of mass = 17.0714253416 -0.832677535437 -2.31278369832 TCL: atom 1: phi = -0.0248265831954 TCL: Center of mass = 17.0746666077 -0.832693780093 -2.31300898932 TCL: atom 1: phi = -0.0252937350647 TCL: Center of mass = 17.0779153793 -0.832719811292 -2.31323533706 TCL: atom 1: phi = -0.0260457886846 TCL: Center of mass = 17.0811663757 -0.832759558639 -2.31345180751 TCL: atom 1: phi = -0.0266200696675 TCL: Center of mass = 17.0844073422 -0.832793637912 -2.31366199125 TCL: atom 1: phi = -0.0273247509452 TCL: Center of mass = 17.0876434868 -0.832829367709 -2.31387408737 TCL: atom 1: phi = -0.0277443087275 TCL: Center of mass = 17.0908633895 -0.83286047497 -2.31409636813 TCL: atom 1: phi = -0.0281502854542 TCL: Center of mass = 17.0940811187 -0.832897548391 -2.31432794488 TCL: atom 1: phi = -0.0282384382488 TCL: Center of mass = 17.0972966176 -0.832939432435 -2.31455854553 TCL: atom 1: phi = -0.0284009466743 TCL: Center of mass = 17.1005131205 -0.832983333246 -2.31478919923 TCL: atom 1: phi = -0.0282904317295 TCL: Center of mass = 17.103728423 -0.833015266906 -2.31502270045 TCL: atom 1: phi = -0.0283092415733 TCL: Center of mass = 17.1069555042 -0.833048528558 -2.31524311544 TCL: atom 1: phi = -0.0281661543014 TCL: Center of mass = 17.1101896609 -0.833076620718 -2.31547947049 TCL: atom 1: phi = -0.0282595046391 TCL: Center of mass = 17.1134253927 -0.833096347435 -2.31571453009 TCL: atom 1: phi = -0.0282351688224 TCL: Center of mass = 17.1166631577 -0.83311289399 -2.31595235296 TCL: atom 1: phi = -0.0283865621735 TCL: Center of mass = 17.1199076515 -0.833130998005 -2.3161842999 TCL: atom 1: phi = -0.0282578800802 TCL: Center of mass = 17.1231461954 -0.833159962343 -2.31641287548 TCL: atom 1: phi = -0.0282047495924 TCL: Center of mass = 17.1263777285 -0.833189307937 -2.31664113923 TCL: atom 1: phi = -0.0277886978371 TCL: Center of mass = 17.1296001895 -0.833208317791 -2.31687578258 TCL: atom 1: phi = -0.0273596730047 TCL: Center of mass = 17.1328166151 -0.833230548085 -2.31710692556 TCL: atom 1: phi = -0.0265820686701 TCL: Center of mass = 17.1360314854 -0.833267287363 -2.31733152962 TCL: atom 1: phi = -0.0258264255155 TCL: Center of mass = 17.1392446879 -0.833304169701 -2.31756341875 TCL: atom 1: phi = -0.0247710716008 TCL: Center of mass = 17.1424579994 -0.833345385602 -2.31779412127 TCL: atom 1: phi = -0.0238334250559 TCL: Center of mass = 17.1456730784 -0.833393322479 -2.31803173007 TCL: atom 1: phi = -0.0225890189051 TCL: Center of mass = 17.1489087435 -0.833443798532 -2.31827525637 TCL: atom 1: phi = -0.02149501179 TCL: Center of mass = 17.1521433934 -0.833486253074 -2.31851988763 TCL: atom 1: phi = -0.0200230955143 TCL: Center of mass = 17.1553774952 -0.833530002056 -2.31876682828 TCL: atom 1: phi = -0.0186124818701 TCL: Center of mass = 17.1586097727 -0.833563880722 -2.31901154147 TCL: atom 1: phi = -0.0168044236708 TCL: Center of mass = 17.16184213 -0.833598151683 -2.31925921772 TCL: atom 1: phi = -0.0151415068218 TCL: Center of mass = 17.1650840511 -0.833633758661 -2.31950374004 TCL: atom 1: phi = -0.013233610719 TCL: Center of mass = 17.168324165 -0.833679258949 -2.31974692459 TCL: atom 1: phi = -0.0116860723131 TCL: Center of mass = 17.171564775 -0.83372185875 -2.31998561314 TCL: atom 1: phi = -0.010033930787 TCL: Center of mass = 17.1748032984 -0.833753407426 -2.32021490701 TCL: atom 1: phi = -0.00894102471298 TCL: Center of mass = 17.1780357691 -0.833795057653 -2.3204486623 TCL: atom 1: phi = -0.00783876482557 TCL: Center of mass = 17.1812586788 -0.833837455606 -2.32069605585 TCL: atom 1: phi = -0.00728025887408 TCL: Center of mass = 17.184485432 -0.833883799366 -2.32093279299 TCL: atom 1: phi = -0.0066585171436 TCL: Center of mass = 17.1877129442 -0.833935704818 -2.3211805382 TCL: atom 1: phi = -0.00651366095783 TCL: Center of mass = 17.1909383562 -0.833999179268 -2.32144073238 TCL: atom 1: phi = -0.00620112770759 TCL: Center of mass = 17.1941717592 -0.834065391047 -2.32170400093 TCL: atom 1: phi = -0.00627853692033 TCL: Center of mass = 17.1974058885 -0.83413309763 -2.32197641565 TCL: atom 1: phi = -0.00610716734931 TCL: Center of mass = 17.2006365168 -0.834198431316 -2.32223978071 TCL: atom 1: phi = -0.00625581316671 TCL: Center of mass = 17.2038686288 -0.83425890683 -2.32250328642 TCL: atom 1: phi = -0.00611356117425 TCL: Center of mass = 17.2071023492 -0.834314356395 -2.32276146882 TCL: atom 1: phi = -0.00628003623046 TCL: Center of mass = 17.2103358523 -0.834368099176 -2.32301994098 TCL: atom 1: phi = -0.00612158244285 TCL: Center of mass = 17.2135685011 -0.834408732514 -2.32328212372 TCL: atom 1: phi = -0.00624331999879 TCL: Center of mass = 17.2168109696 -0.834434316863 -2.32354343589 TCL: atom 1: phi = -0.00607288389569 TCL: Center of mass = 17.2200490634 -0.834460852906 -2.3238154156 TCL: atom 1: phi = -0.00603014180221 TCL: Center of mass = 17.2232839764 -0.834499588158 -2.32409519592 TCL: atom 1: phi = -0.00553069373155 TCL: Center of mass = 17.2265172354 -0.834542034334 -2.32436799557 TCL: atom 1: phi = -0.0051999941547 TCL: Center of mass = 17.2297545985 -0.834592005422 -2.3246499994 TCL: atom 1: phi = -0.0044869017608 TCL: Center of mass = 17.2329985972 -0.834646188989 -2.32493648428 TCL: atom 1: phi = -0.00404936273773 TCL: Center of mass = 17.2362265284 -0.834698902271 -2.32521895387 TCL: atom 1: phi = -0.00342244299507 TIMING: 6900 CPU: 1174.15, 0.171794/step Wall: 1436.69, 0.210362/step, 0.765484 hours remaining, 21319 kB of memory in use. ENERGY: 6900 408.8783 697.6196 412.1489 47.1853 -2807.2098 -217.3325 0.0000 0.0000 1151.8608 -306.8494 313.9143 -298.0493 -298.0071 313.5873 806.4878 650.2274 64000.0000 564.1958 565.0269 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 6900 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 TCL: Center of mass = 17.2394600212 -0.834747230002 -2.32549903633 TCL: atom 1: phi = -0.00322157436039 TCL: Center of mass = 17.2426986251 -0.834796595513 -2.3257744341 TCL: atom 1: phi = -0.00297330502148 TCL: Center of mass = 17.2459509805 -0.834855689004 -2.3260415202 TCL: atom 1: phi = -0.00314377044224 TCL: Center of mass = 17.249200307 -0.834914810899 -2.32630373147 TCL: atom 1: phi = -0.00323191661772 TCL: Center of mass = 17.2524462484 -0.834963979278 -2.32656176263 TCL: atom 1: phi = -0.00363736468726 TCL: Center of mass = 17.2556978639 -0.835023535105 -2.32681088395 TCL: atom 1: phi = -0.00385392826647 TCL: Center of mass = 17.2589593356 -0.83509346395 -2.32704642144 TCL: atom 1: phi = -0.00421821142733 TCL: Center of mass = 17.2622036296 -0.835172748623 -2.32728561303 TCL: atom 1: phi = -0.00430655537254 TCL: Center of mass = 17.2654414643 -0.835255380675 -2.32752460936 TCL: atom 1: phi = -0.00444403419523 TCL: Center of mass = 17.2686740781 -0.835337347762 -2.32776086658 TCL: atom 1: phi = -0.00427060833862 TCL: Center of mass = 17.2719071342 -0.835425738169 -2.32800981384 TCL: atom 1: phi = -0.00420189060145 TCL: Center of mass = 17.2751421036 -0.835524126756 -2.32826219658 TCL: atom 1: phi = -0.00388122650376 TCL: Center of mass = 17.2783739431 -0.83561325862 -2.32850998788 TCL: atom 1: phi = -0.00362871806459 TCL: Center of mass = 17.2816229958 -0.835700669754 -2.32876576366 TCL: atom 1: phi = -0.00312695163228 TCL: Center of mass = 17.2848712144 -0.83578425569 -2.32903245963 TCL: atom 1: phi = -0.0027049821482 TCL: Center of mass = 17.2881069188 -0.835870578926 -2.3293021979 TCL: atom 1: phi = -0.00199916743685 TCL: Center of mass = 17.291347132 -0.83595220513 -2.32957161142 TCL: atom 1: phi = -0.00132186730672 TCL: Center of mass = 17.2945882827 -0.836026694813 -2.32983206801 TCL: atom 1: phi = -0.000386659796791 TCL: Center of mass = 17.2978265312 -0.836100106757 -2.33008741395 TCL: atom 1: phi = 0.000426450042638 TCL: Center of mass = 17.3010688688 -0.836162366947 -2.33033110223 TCL: atom 1: phi = 0.00140395921919 TCL: Center of mass = 17.3043085129 -0.836225459826 -2.33057813434 TCL: atom 1: phi = 0.00210919768017 TCL: Center of mass = 17.3075357469 -0.836287156288 -2.33082828528 TCL: atom 1: phi = 0.00278729267632 TCL: Center of mass = 17.3107620993 -0.836350210816 -2.33107243603 TCL: atom 1: phi = 0.00305747852106 TCL: Center of mass = 17.3139817578 -0.836432430448 -2.33131767841 TCL: atom 1: phi = 0.00329586251671 TCL: Center of mass = 17.3171931228 -0.836509974066 -2.33156865527 TCL: atom 1: phi = 0.00319839380687 TCL: Center of mass = 17.3204165026 -0.836583705826 -2.33182489098 TCL: atom 1: phi = 0.00311572304151 TCL: Center of mass = 17.3236425086 -0.83665537695 -2.33209461195 TCL: atom 1: phi = 0.00287096170843 TCL: Center of mass = 17.3268670838 -0.836734510586 -2.33235552552 TCL: atom 1: phi = 0.00281728299126 TCL: Center of mass = 17.3300968593 -0.836827288258 -2.33262867653 TCL: atom 1: phi = 0.00262430209145 TCL: Center of mass = 17.3333185097 -0.836940254568 -2.33290564309 TCL: atom 1: phi = 0.00260458552235 TCL: Center of mass = 17.3365564175 -0.837042961573 -2.3331674173 TCL: atom 1: phi = 0.00247010117306 TCL: Center of mass = 17.3397917839 -0.837147305761 -2.33343330619 TCL: atom 1: phi = 0.00245585729695 TCL: Center of mass = 17.3430264758 -0.837261492263 -2.33370596515 TCL: atom 1: phi = 0.00225072003765 TCL: Center of mass = 17.3462551512 -0.837374837957 -2.33397804484 TCL: atom 1: phi = 0.00230328898118 TCL: Center of mass = 17.3494842689 -0.83750024027 -2.33425065589 TCL: atom 1: phi = 0.00232833129555 TCL: Center of mass = 17.3527076247 -0.837636648765 -2.33452239129 TCL: atom 1: phi = 0.00262979299933 TCL: Center of mass = 17.3559419513 -0.837753689832 -2.33479968926 TCL: atom 1: phi = 0.00292347049866 TCL: Center of mass = 17.3591797215 -0.837876806611 -2.33507562944 TCL: atom 1: phi = 0.00358178093525 TCL: Center of mass = 17.3624228275 -0.837995257612 -2.33535797079 TCL: atom 1: phi = 0.00422377289133 TCL: Center of mass = 17.3656644731 -0.838114593183 -2.33564202354 TCL: atom 1: phi = 0.00513732320125 TCL: Center of mass = 17.3689014014 -0.838231969954 -2.3359195993 TCL: atom 1: phi = 0.0059519998115 TCL: Center of mass = 17.3721374093 -0.838343540453 -2.33619338897 TCL: atom 1: phi = 0.00688935920797 TCL: Center of mass = 17.3753739798 -0.838456767034 -2.33647250661 TCL: atom 1: phi = 0.00759725927316 TCL: Center of mass = 17.3786156286 -0.838567823722 -2.33675010841 TCL: atom 1: phi = 0.00837468498074 TCL: Center of mass = 17.3818433407 -0.838684664382 -2.33703654857 TCL: atom 1: phi = 0.0087816688058 TCL: Center of mass = 17.3850634242 -0.838798141781 -2.33732230813 TCL: atom 1: phi = 0.00920797708749 TCL: Center of mass = 17.3882847137 -0.838915964657 -2.33761882219 TCL: atom 1: phi = 0.0093252526397 TCL: Center of mass = 17.391515471 -0.839034457924 -2.33790433685 TCL: atom 1: phi = 0.00961111843358 TCL: Center of mass = 17.3947543926 -0.839148290514 -2.33819047114 TCL: atom 1: phi = 0.0096601554668 TCL: Center of mass = 17.3979968705 -0.839273168377 -2.33848085805 TCL: atom 1: phi = 0.00990818492271 TCL: Center of mass = 17.401255882 -0.839400094367 -2.33877780626 TCL: atom 1: phi = 0.00999528713145 TCL: Center of mass = 17.4045176501 -0.839532480628 -2.33908870806 TCL: atom 1: phi = 0.010330359515 TCL: Center of mass = 17.4077741483 -0.839671704376 -2.3393943689 TCL: atom 1: phi = 0.01041891356 TCL: Center of mass = 17.4110270683 -0.839813199532 -2.33969337557 TCL: atom 1: phi = 0.0107147884833 TCL: Center of mass = 17.414278396 -0.839954248041 -2.34000980803 TCL: atom 1: phi = 0.0107970464966 TCL: Center of mass = 17.417522326 -0.840086776505 -2.34033498823 TCL: atom 1: phi = 0.0111868582169 TCL: Center of mass = 17.4207603184 -0.840213525641 -2.34065942681 TCL: atom 1: phi = 0.0114526067185 TCL: Center of mass = 17.4240051707 -0.840341081483 -2.34097865554 TCL: atom 1: phi = 0.0119902391799 TCL: Center of mass = 17.4272557568 -0.840477412429 -2.341299957 TCL: atom 1: phi = 0.0123996947383 TCL: Center of mass = 17.4305116936 -0.840616244118 -2.3416337054 TCL: atom 1: phi = 0.0131169532758 TCL: Center of mass = 17.4337812119 -0.840752776312 -2.34197634097 TCL: atom 1: phi = 0.0135810817827 TCL: Center of mass = 17.4370468321 -0.840901147633 -2.34232523553 TCL: atom 1: phi = 0.0142491428916 TCL: Center of mass = 17.4403173115 -0.841043270795 -2.34266346206 TCL: atom 1: phi = 0.0146053619915 TCL: Center of mass = 17.443577952 -0.84119149634 -2.3430091869 TCL: atom 1: phi = 0.0151049928109 TCL: Center of mass = 17.4468393584 -0.841325886242 -2.34336023967 TCL: atom 1: phi = 0.0151577861855 TCL: Center of mass = 17.4501157922 -0.841463887098 -2.34370356471 TCL: atom 1: phi = 0.0153402664252 TCL: Center of mass = 17.4533826746 -0.841597962074 -2.3440563374 TCL: atom 1: phi = 0.0151602845618 TCL: Center of mass = 17.4566462192 -0.841743950003 -2.34440587727 TCL: atom 1: phi = 0.0152418162262 TCL: Center of mass = 17.4599033974 -0.841896216902 -2.34476146647 TCL: atom 1: phi = 0.0149944531916 TCL: Center of mass = 17.4631615663 -0.842042841115 -2.34512629045 TCL: atom 1: phi = 0.0150504909387 TCL: Center of mass = 17.4664329436 -0.842188874732 -2.34548777337 TCL: atom 1: phi = 0.0148128938276 TCL: Center of mass = 17.4696950362 -0.842324737647 -2.34585488423 TCL: atom 1: phi = 0.0148269719859 TCL: Center of mass = 17.4729601354 -0.842452431419 -2.3462212436 TCL: atom 1: phi = 0.0145794379455 TCL: Center of mass = 17.476219262 -0.842585302804 -2.34658303951 TCL: atom 1: phi = 0.0146534723699 TCL: Center of mass = 17.479486566 -0.842724196128 -2.34693234105 TCL: atom 1: phi = 0.0144026291669 TCL: Center of mass = 17.4827567942 -0.842854972364 -2.34728465986 TCL: atom 1: phi = 0.0144349547649 TCL: Center of mass = 17.4860274419 -0.843007072672 -2.34764408539 TCL: atom 1: phi = 0.0141755451517 TCL: Center of mass = 17.4893125123 -0.843151818336 -2.34800174009 TCL: atom 1: phi = 0.014224329574 TCL: Center of mass = 17.4925949235 -0.843297736148 -2.34835935301 TCL: atom 1: phi = 0.013958428013 TCL: Center of mass = 17.4958759492 -0.84343440513 -2.34871685255 TCL: atom 1: phi = 0.0139795046233 TCL: Center of mass = 17.4991640409 -0.843570635047 -2.34907035344 TCL: atom 1: phi = 0.0135894505734 TCL: Center of mass = 17.5024650702 -0.843712295503 -2.34942504419 TCL: atom 1: phi = 0.0134456675992 TCL: Center of mass = 17.5057752238 -0.843859617706 -2.34978655085 TCL: atom 1: phi = 0.0129441875446 TCL: Center of mass = 17.5090800662 -0.844002935515 -2.35015454364 TCL: atom 1: phi = 0.0126968878512 TCL: Center of mass = 17.5123897017 -0.844145297019 -2.35051195544 TCL: atom 1: phi = 0.0121058869715 TCL: Center of mass = 17.5157022479 -0.844284849489 -2.35087084861 TCL: atom 1: phi = 0.0117405251245 TCL: Center of mass = 17.519016757 -0.844430771012 -2.35123286953 TCL: atom 1: phi = 0.0110126177621 TCL: Center of mass = 17.5223218706 -0.844583995695 -2.35158057921 TCL: atom 1: phi = 0.010551678965 TCL: Center of mass = 17.5256378611 -0.844735203621 -2.35191629559 TCL: atom 1: phi = 0.00977271886173 TCL: Center of mass = 17.528939639 -0.844881711226 -2.35224134689 TCL: atom 1: phi = 0.00924983885004 TCL: Center of mass = 17.5322347883 -0.845030628839 -2.35255248448 TCL: atom 1: phi = 0.00852200708474 TCL: Center of mass = 17.5355144406 -0.845163280024 -2.35286340129 TCL: atom 1: phi = 0.00818544696144 TCL: Center of mass = 17.5387960844 -0.845307643568 -2.35316553779 TCL: atom 1: phi = 0.00780619986762 TCL: Center of mass = 17.5420754181 -0.84546081103 -2.35346147464 TCL: atom 1: phi = 0.00790098044964 TCL: Center of mass = 17.5453524078 -0.84561855769 -2.35375662383 TCL: atom 1: phi = 0.00804330452977 TCL: Center of mass = 17.5486240338 -0.845781866893 -2.35404375468 TCL: atom 1: phi = 0.00868957915828 TCL: Center of mass = 17.5518848536 -0.845945115006 -2.35433679361 TCL: atom 1: phi = 0.00921837851523 TCL: Center of mass = 17.5551510834 -0.846116530711 -2.35461837214 TCL: atom 1: phi = 0.0101313080364 TCL: Center of mass = 17.5584201771 -0.846277784937 -2.35489967523 TCL: atom 1: phi = 0.0109274520919 TCL: Center of mass = 17.5616968657 -0.84642658087 -2.35517448989 TCL: atom 1: phi = 0.0120613463813 TIMING: 7000 CPU: 1191.64, 0.174933/step Wall: 1457.73, 0.210394/step, 0.759756 hours remaining, 21403 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 418.5755 692.6145 412.8822 37.7618 -2792.2163 -222.6465 0.0000 0.0000 1142.2168 -310.8120 311.2860 -302.3351 -301.4771 312.4658 452.5412 401.6797 64000.0000 402.4048 404.0311 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 = 17.5649743411 -0.846570114864 -2.35545582764 TCL: atom 1: phi = 0.0130137855573 TCL: Center of mass = 17.5682472953 -0.846719131306 -2.35574338687 TCL: atom 1: phi = 0.0142672450749 TCL: Center of mass = 17.5715128419 -0.846873849346 -2.3560175552 TCL: atom 1: phi = 0.0152769173655 TCL: Center of mass = 17.5747628759 -0.847030466401 -2.35628829117 TCL: atom 1: phi = 0.0165153148441 TCL: Center of mass = 17.5780229762 -0.847179030178 -2.35655258295 TCL: atom 1: phi = 0.0174670933051 TCL: Center of mass = 17.5812871431 -0.847329843479 -2.35682518437 TCL: atom 1: phi = 0.0186147245567 TCL: Center of mass = 17.5845635931 -0.847487212001 -2.3570929204 TCL: atom 1: phi = 0.0194260137345 TCL: Center of mass = 17.5878361682 -0.847644976049 -2.35735927907 TCL: atom 1: phi = 0.020352712534 TCL: Center of mass = 17.5911094044 -0.847795853472 -2.35762539097 TCL: atom 1: phi = 0.020860956939 TCL: Center of mass = 17.5943901579 -0.847927523366 -2.35788912822 TCL: atom 1: phi = 0.0215301809636 TCL: Center of mass = 17.5976646775 -0.848065397275 -2.35816630846 TCL: atom 1: phi = 0.0217944520555 TCL: Center of mass = 17.6009456514 -0.848217923002 -2.35843398097 TCL: atom 1: phi = 0.0223475575716 TCL: Center of mass = 17.6042199062 -0.848370965616 -2.3586888316 TCL: atom 1: phi = 0.0226480470608 TCL: Center of mass = 17.6074897203 -0.848527460228 -2.35894522894 TCL: atom 1: phi = 0.0233406900865 TCL: Center of mass = 17.6107612688 -0.848685344825 -2.35920812236 TCL: atom 1: phi = 0.0238831235914 TCL: Center of mass = 17.6140370513 -0.848827491408 -2.35946514432 TCL: atom 1: phi = 0.0248298346382 TCL: Center of mass = 17.6173214672 -0.848975879929 -2.35971513647 TCL: atom 1: phi = 0.0255953437301 TCL: Center of mass = 17.6206086511 -0.849119059737 -2.35996923122 TCL: atom 1: phi = 0.0266970880226 TCL: Center of mass = 17.6238906987 -0.849266631534 -2.36023035073 TCL: atom 1: phi = 0.0274809316204 TCL: Center of mass = 17.6271774158 -0.849411020139 -2.36048897162 TCL: atom 1: phi = 0.028407775298 TCL: Center of mass = 17.6304576199 -0.849561226258 -2.36073966717 TCL: atom 1: phi = 0.0288863274903 TCL: Center of mass = 17.6337232075 -0.849703968657 -2.36098744009 TCL: atom 1: phi = 0.0295217459655 TCL: Center of mass = 17.6369927438 -0.849859534956 -2.36124552231 TCL: atom 1: phi = 0.0297715027452 TCL: Center of mass = 17.6402607282 -0.850022461263 -2.3614978136 TCL: atom 1: phi = 0.0301916915323 TCL: Center of mass = 17.6435350403 -0.850183777386 -2.36174842578 TCL: atom 1: phi = 0.0301374322209 TCL: Center of mass = 17.646803658 -0.850334934637 -2.36199935446 TCL: atom 1: phi = 0.0301729577033 TCL: Center of mass = 17.6500731022 -0.850489620748 -2.36224736598 TCL: atom 1: phi = 0.0298740216191 TCL: Center of mass = 17.6533386636 -0.85064020458 -2.36248679936 TCL: atom 1: phi = 0.0298194826859 TCL: Center of mass = 17.6566108349 -0.850793643415 -2.3627221253 TCL: atom 1: phi = 0.0294098730998 TCL: Center of mass = 17.6598734363 -0.850955374752 -2.36295639302 TCL: atom 1: phi = 0.0292317811919 TCL: Center of mass = 17.6631378847 -0.851120167933 -2.36317692876 TCL: atom 1: phi = 0.028831381572 TCL: Center of mass = 17.6664013566 -0.851277090459 -2.36339758339 TCL: atom 1: phi = 0.0287515876771 TCL: Center of mass = 17.6696631493 -0.851423564498 -2.36362819041 TCL: atom 1: phi = 0.028546634562 TCL: Center of mass = 17.6729336593 -0.85157571421 -2.36385058047 TCL: atom 1: phi = 0.0287169526887 TCL: Center of mass = 17.6762043389 -0.851727014376 -2.36408413534 TCL: atom 1: phi = 0.0289039968008 TCL: Center of mass = 17.6794747324 -0.851890794291 -2.36431353259 TCL: atom 1: phi = 0.0296321907825 TCL: Center of mass = 17.6827425248 -0.852051955211 -2.36454685052 TCL: atom 1: phi = 0.0303633316567 TCL: Center of mass = 17.6860024072 -0.852214761328 -2.36478376271 TCL: atom 1: phi = 0.0315932991987 TCL: Center of mass = 17.6892527732 -0.852384393925 -2.36503398936 TCL: atom 1: phi = 0.0327123949086 TCL: Center of mass = 17.6924958633 -0.852548771861 -2.36528360359 TCL: atom 1: phi = 0.0341988363861 TCL: Center of mass = 17.6957417007 -0.852715604213 -2.3655343178 TCL: atom 1: phi = 0.0354193141762 TCL: Center of mass = 17.6990019686 -0.852886580428 -2.36578010515 TCL: atom 1: phi = 0.0368448890284 TCL: Center of mass = 17.7022650616 -0.853054338365 -2.36602703617 TCL: atom 1: phi = 0.0378877104666 TCL: Center of mass = 17.7055288631 -0.853228441977 -2.36627350858 TCL: atom 1: phi = 0.0391128263531 TCL: Center of mass = 17.7087985774 -0.85340579766 -2.36651772805 TCL: atom 1: phi = 0.0399866335496 TCL: Center of mass = 17.7120648847 -0.853592033813 -2.36677378811 TCL: atom 1: phi = 0.0410205522509 TCL: Center of mass = 17.7153290906 -0.853775075855 -2.36703535336 TCL: atom 1: phi = 0.041714307535 TCL: Center of mass = 17.7186003784 -0.853955208936 -2.36730126736 TCL: atom 1: phi = 0.042608452994 TCL: Center of mass = 17.7218682886 -0.854144295156 -2.36756480324 TCL: atom 1: phi = 0.0430986067902 TCL: Center of mass = 17.7251272598 -0.854343030184 -2.3678274749 TCL: atom 1: phi = 0.0436727071094 TCL: Center of mass = 17.7283781273 -0.8545447574 -2.3680888666 TCL: atom 1: phi = 0.0437363880746 TCL: Center of mass = 17.7316376007 -0.854740720806 -2.36835138515 TCL: atom 1: phi = 0.0437713612359 TCL: Center of mass = 17.7348931689 -0.854932046685 -2.3686124029 TCL: atom 1: phi = 0.0433730978603 TCL: Center of mass = 17.7381499966 -0.855132825456 -2.36887039072 TCL: atom 1: phi = 0.0430426713229 TCL: Center of mass = 17.7414132923 -0.855332479032 -2.36912589564 TCL: atom 1: phi = 0.0424622552033 TCL: Center of mass = 17.7446650413 -0.855535112299 -2.36938582633 TCL: atom 1: phi = 0.042118738623 TCL: Center of mass = 17.7479187378 -0.855731740726 -2.36966077427 TCL: atom 1: phi = 0.0416836819976 TCL: Center of mass = 17.7511707688 -0.855926074329 -2.36992610001 TCL: atom 1: phi = 0.04148418028 TCL: Center of mass = 17.7544273248 -0.856118011245 -2.37019864586 TCL: atom 1: phi = 0.0411322235619 TCL: Center of mass = 17.7576853367 -0.856312298892 -2.37046688814 TCL: atom 1: phi = 0.0409355183333 TCL: Center of mass = 17.7609354717 -0.856512061185 -2.37074086225 TCL: atom 1: phi = 0.0404539809963 TCL: Center of mass = 17.7641924837 -0.856710216806 -2.37100602543 TCL: atom 1: phi = 0.0399478031354 TCL: Center of mass = 17.767464433 -0.856913456942 -2.37128249123 TCL: atom 1: phi = 0.039099635333 TCL: Center of mass = 17.7707305398 -0.857127856533 -2.37157317769 TCL: atom 1: phi = 0.0383189628324 TCL: Center of mass = 17.7740000197 -0.857343765513 -2.37186160231 TCL: atom 1: phi = 0.0373198389061 TCL: Center of mass = 17.7772744698 -0.857568220742 -2.3721489426 TCL: atom 1: phi = 0.0365287857494 TCL: Center of mass = 17.7805512163 -0.857790282358 -2.37242919299 TCL: atom 1: phi = 0.0356331709499 TCL: Center of mass = 17.7838470877 -0.85800339491 -2.37271471122 TCL: atom 1: phi = 0.0350092505647 TCL: Center of mass = 17.7871353556 -0.858216690859 -2.37300774163 TCL: atom 1: phi = 0.0343380361615 TCL: Center of mass = 17.7904195091 -0.858428695716 -2.37329975186 TCL: atom 1: phi = 0.0338984510379 TCL: Center of mass = 17.7936961683 -0.85863961233 -2.37360082361 TCL: atom 1: phi = 0.033365258707 TCL: Center of mass = 17.7969842961 -0.858851566957 -2.37389574917 TCL: atom 1: phi = 0.0329986380922 TCL: Center of mass = 17.8002807879 -0.859064707172 -2.37420230571 TCL: atom 1: phi = 0.0325263019801 TCL: Center of mass = 17.8035778782 -0.859268508348 -2.3745123046 TCL: atom 1: phi = 0.0323970642854 TCL: Center of mass = 17.8068702328 -0.859474207037 -2.37481442196 TCL: atom 1: phi = 0.0323492656388 TCL: Center of mass = 17.8101592665 -0.859663538662 -2.37512314334 TCL: atom 1: phi = 0.0327781967241 TCL: Center of mass = 17.8134472242 -0.859833058701 -2.37543830535 TCL: atom 1: phi = 0.0334315649206 TCL: Center of mass = 17.8167368598 -0.859989884609 -2.37574141994 TCL: atom 1: phi = 0.0345360574324 TCL: Center of mass = 17.8200364395 -0.860141520311 -2.37604761812 TCL: atom 1: phi = 0.0357537825966 TCL: Center of mass = 17.8233336287 -0.860279426492 -2.37635429192 TCL: atom 1: phi = 0.0373423440092 TCL: Center of mass = 17.8266229246 -0.86041024701 -2.37666775882 TCL: atom 1: phi = 0.0387753278878 TCL: Center of mass = 17.8299251424 -0.860528900027 -2.37696353101 TCL: atom 1: phi = 0.0402838778639 TCL: Center of mass = 17.8332332047 -0.860658920819 -2.37726269987 TCL: atom 1: phi = 0.0413985863214 TCL: Center of mass = 17.8365444542 -0.860785760174 -2.37756049776 TCL: atom 1: phi = 0.0425512943977 TCL: Center of mass = 17.839856346 -0.860918365866 -2.37786686833 TCL: atom 1: phi = 0.0433680615039 TCL: Center of mass = 17.8431738115 -0.86105029174 -2.37816758145 TCL: atom 1: phi = 0.0442209288167 TCL: Center of mass = 17.8464902065 -0.861169879238 -2.37846663037 TCL: atom 1: phi = 0.044738987808 TCL: Center of mass = 17.8498019351 -0.86129254079 -2.37876201287 TCL: atom 1: phi = 0.0454361325168 TCL: Center of mass = 17.8531127661 -0.86143538964 -2.37905898587 TCL: atom 1: phi = 0.0457841202245 TCL: Center of mass = 17.8564222203 -0.861578355815 -2.37935688852 TCL: atom 1: phi = 0.0461423474478 TCL: Center of mass = 17.8597321027 -0.861730389007 -2.37965151872 TCL: atom 1: phi = 0.0460254360895 TCL: Center of mass = 17.863036937 -0.861882533313 -2.37993855404 TCL: atom 1: phi = 0.0458643885392 TCL: Center of mass = 17.866333468 -0.862041480807 -2.380223053 TCL: atom 1: phi = 0.0452229641715 TCL: Center of mass = 17.869619925 -0.862196018981 -2.380502801 TCL: atom 1: phi = 0.044572114962 TCL: Center of mass = 17.8729166234 -0.862341765364 -2.38077596957 TCL: atom 1: phi = 0.043647987899 TCL: Center of mass = 17.8762035549 -0.862469291364 -2.38105055434 TCL: atom 1: phi = 0.0429657863739 TCL: Center of mass = 17.8794917483 -0.86258354316 -2.38132463005 TCL: atom 1: phi = 0.0422823390742 TCL: Center of mass = 17.8827710915 -0.862699009222 -2.38160617305 TCL: atom 1: phi = 0.0420314476103 TCL: Center of mass = 17.8860528001 -0.86280668582 -2.38189215207 TCL: atom 1: phi = 0.0417555380795 TCL: Center of mass = 17.8893450428 -0.862911116386 -2.38216519648 TCL: atom 1: phi = 0.0418050809252 TIMING: 7100 CPU: 1208.97, 0.173264/step Wall: 1478.81, 0.210859/step, 0.755577 hours remaining, 21449 kB of memory in use. ENERGY: 7100 375.6591 714.6722 421.0636 35.4047 -2804.2965 -207.1667 0.0000 0.0000 1158.7615 -305.9021 315.7949 -297.8850 -295.7153 311.3515 1213.5859 1040.0251 64000.0000 587.2612 585.1329 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7100 WRITING COORDINATES TO DCD FILE AT STEP 7100 WRITING COORDINATES TO RESTART FILE AT STEP 7100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 17.892645392 -0.863016481314 -2.38244838793 TCL: atom 1: phi = 0.0417042249707 TCL: Center of mass = 17.8959386451 -0.863117522915 -2.38273143017 TCL: atom 1: phi = 0.0417458164062 TCL: Center of mass = 17.8992359576 -0.863224344396 -2.3830094735 TCL: atom 1: phi = 0.0415064919869 TCL: Center of mass = 17.9025453439 -0.863325152178 -2.38329100275 TCL: atom 1: phi = 0.0413528488497 TCL: Center of mass = 17.9058584147 -0.863418530771 -2.38357283515 TCL: atom 1: phi = 0.0410160133507 TCL: Center of mass = 17.9091812839 -0.863514023639 -2.38385980665 TCL: atom 1: phi = 0.0409651032081 TCL: Center of mass = 17.9125186262 -0.863599338737 -2.38417254955 TCL: atom 1: phi = 0.0408650229717 TCL: Center of mass = 17.9158623608 -0.863689338918 -2.38448042018 TCL: atom 1: phi = 0.0411233758433 TCL: Center of mass = 17.9192042169 -0.863779967083 -2.38478006866 TCL: atom 1: phi = 0.0413178178062 TCL: Center of mass = 17.9225417034 -0.863867419684 -2.38507697762 TCL: atom 1: phi = 0.0417721700139 TCL: Center of mass = 17.9258898433 -0.863944715036 -2.38536817498 TCL: atom 1: phi = 0.0420049188365 TCL: Center of mass = 17.9292458628 -0.864022593596 -2.38566753798 TCL: atom 1: phi = 0.042455723519 TCL: Center of mass = 17.9326104838 -0.864108896182 -2.38596129736 TCL: atom 1: phi = 0.0425804582184 TCL: Center of mass = 17.9359697704 -0.864179070269 -2.38625633296 TCL: atom 1: phi = 0.0428707838894 TCL: Center of mass = 17.9393409316 -0.864264394968 -2.38655691362 TCL: atom 1: phi = 0.0429047828964 TCL: Center of mass = 17.9427129064 -0.864357522631 -2.38684440369 TCL: atom 1: phi = 0.043275054791 TCL: Center of mass = 17.9460847093 -0.86444344203 -2.38712525283 TCL: atom 1: phi = 0.0435407119105 TCL: Center of mass = 17.9494600785 -0.864542443233 -2.38740185316 TCL: atom 1: phi = 0.0443488927255 TCL: Center of mass = 17.9528443798 -0.864641346373 -2.38769140752 TCL: atom 1: phi = 0.0451646055534 TCL: Center of mass = 17.9562182627 -0.864744142447 -2.38797589848 TCL: atom 1: phi = 0.0463648745739 TCL: Center of mass = 17.9595869799 -0.86484782436 -2.38825984423 TCL: atom 1: phi = 0.0473033134396 TCL: Center of mass = 17.9629585191 -0.86495683223 -2.38853870286 TCL: atom 1: phi = 0.0484263924142 TCL: Center of mass = 17.9663268017 -0.865064547066 -2.38882808379 TCL: atom 1: phi = 0.0489996704016 TCL: Center of mass = 17.9697187747 -0.865170337219 -2.3891120775 TCL: atom 1: phi = 0.0496145389005 TCL: Center of mass = 17.9731075914 -0.865272838863 -2.38939438459 TCL: atom 1: phi = 0.0496035274464 TCL: Center of mass = 17.9764919546 -0.865359177652 -2.38967825716 TCL: atom 1: phi = 0.0497618482543 TCL: Center of mass = 17.9798759068 -0.865429181365 -2.3899637391 TCL: atom 1: phi = 0.049451084715 TCL: Center of mass = 17.9832645701 -0.865497649505 -2.39025102491 TCL: atom 1: phi = 0.0494627383888 TCL: Center of mass = 17.9866456112 -0.865567039155 -2.39054753814 TCL: atom 1: phi = 0.0490555036926 TCL: Center of mass = 17.9900297981 -0.865634738743 -2.3908400976 TCL: atom 1: phi = 0.0489782114852 TCL: Center of mass = 17.9934102412 -0.86569571362 -2.39113834258 TCL: atom 1: phi = 0.0483994451981 TCL: Center of mass = 17.9967889909 -0.865756145505 -2.39144293372 TCL: atom 1: phi = 0.0480324494892 TCL: Center of mass = 18.0001621042 -0.865818589708 -2.39175033638 TCL: atom 1: phi = 0.0469827857968 TCL: Center of mass = 18.0035466116 -0.865875089623 -2.3920641642 TCL: atom 1: phi = 0.0460716436038 TCL: Center of mass = 18.0069366012 -0.865926747855 -2.39237648233 TCL: atom 1: phi = 0.0445444726276 TCL: Center of mass = 18.0103390972 -0.86597360949 -2.39269395832 TCL: atom 1: phi = 0.0433024527486 TCL: Center of mass = 18.0137397004 -0.866018543747 -2.39301247534 TCL: atom 1: phi = 0.0418521398651 TCL: Center of mass = 18.0171477565 -0.866048021868 -2.39333118513 TCL: atom 1: phi = 0.0409868053528 TCL: Center of mass = 18.0205610025 -0.866089676551 -2.393662512 TCL: atom 1: phi = 0.0401275811296 TCL: Center of mass = 18.0239721572 -0.866129786705 -2.39400470671 TCL: atom 1: phi = 0.0399548572833 TCL: Center of mass = 18.0273891152 -0.866171487107 -2.39435193367 TCL: atom 1: phi = 0.0397154083366 TCL: Center of mass = 18.0308013566 -0.866224106866 -2.3947109434 TCL: atom 1: phi = 0.03987169264 TCL: Center of mass = 18.0342278347 -0.866260198593 -2.39506880435 TCL: atom 1: phi = 0.0396824424357 TCL: Center of mass = 18.0376436537 -0.866304609124 -2.39542428057 TCL: atom 1: phi = 0.0397482678168 TCL: Center of mass = 18.0410616054 -0.866348513163 -2.39578985382 TCL: atom 1: phi = 0.0394796789762 TCL: Center of mass = 18.0444870223 -0.866390864495 -2.39615856874 TCL: atom 1: phi = 0.0395969180342 TCL: Center of mass = 18.0479106994 -0.866427271227 -2.39652333289 TCL: atom 1: phi = 0.0395646727431 TCL: Center of mass = 18.0513356821 -0.866464790136 -2.39689631683 TCL: atom 1: phi = 0.0399403622335 TCL: Center of mass = 18.0547580142 -0.866506016656 -2.39726517701 TCL: atom 1: phi = 0.0402150150628 TCL: Center of mass = 18.058181871 -0.866528990853 -2.39764092044 TCL: atom 1: phi = 0.0409208557619 TCL: Center of mass = 18.0616067528 -0.866549707744 -2.39802271286 TCL: atom 1: phi = 0.0414200569161 TCL: Center of mass = 18.0650311385 -0.866565416902 -2.39840159626 TCL: atom 1: phi = 0.0421440513323 TCL: Center of mass = 18.0684572025 -0.866574116647 -2.39879077794 TCL: atom 1: phi = 0.0422882026827 TCL: Center of mass = 18.0718813246 -0.866569662453 -2.39917671494 TCL: atom 1: phi = 0.0425232156698 TCL: Center of mass = 18.0752974545 -0.866581322266 -2.39957703419 TCL: atom 1: phi = 0.0422213327079 TCL: Center of mass = 18.07871777 -0.866593944075 -2.39998394614 TCL: atom 1: phi = 0.0421049755072 TCL: Center of mass = 18.0821294645 -0.866604141571 -2.40038585546 TCL: atom 1: phi = 0.0416105016772 TCL: Center of mass = 18.085549373 -0.866619302076 -2.40077823302 TCL: atom 1: phi = 0.041501185594 TCL: Center of mass = 18.0889581051 -0.866621831259 -2.4011670776 TCL: atom 1: phi = 0.0412948320557 TCL: Center of mass = 18.0923720739 -0.866636670804 -2.40154941059 TCL: atom 1: phi = 0.0415582151775 TCL: Center of mass = 18.0957829513 -0.86664859615 -2.40192429249 TCL: atom 1: phi = 0.0416315564359 TCL: Center of mass = 18.0991972469 -0.866657852994 -2.40229953752 TCL: atom 1: phi = 0.0420046713563 TCL: Center of mass = 18.102596899 -0.866677970658 -2.40267524831 TCL: atom 1: phi = 0.0419323931903 TCL: Center of mass = 18.106002741 -0.866683349011 -2.40305083612 TCL: atom 1: phi = 0.0419421692273 TCL: Center of mass = 18.1094145242 -0.866692693372 -2.40343434503 TCL: atom 1: phi = 0.0413655021673 TCL: Center of mass = 18.1128393909 -0.866698379659 -2.40379823577 TCL: atom 1: phi = 0.0408454978345 TCL: Center of mass = 18.1162714612 -0.866697379508 -2.40415911005 TCL: atom 1: phi = 0.0398988483538 TCL: Center of mass = 18.1197103558 -0.866692113977 -2.40451383886 TCL: atom 1: phi = 0.0391479832381 TCL: Center of mass = 18.1231420588 -0.866696031601 -2.40485716996 TCL: atom 1: phi = 0.038189025085 TCL: Center of mass = 18.1265811307 -0.866707240213 -2.4052120294 TCL: atom 1: phi = 0.037665963704 TCL: Center of mass = 18.1300265147 -0.866704836671 -2.40557852825 TCL: atom 1: phi = 0.0369904732583 TCL: Center of mass = 18.133465448 -0.86670675713 -2.40592911451 TCL: atom 1: phi = 0.0366845275168 TCL: Center of mass = 18.1369131481 -0.866702527325 -2.40627671884 TCL: atom 1: phi = 0.0360441531024 TCL: Center of mass = 18.1403548561 -0.866699989308 -2.40662602854 TCL: atom 1: phi = 0.035581102054 TCL: Center of mass = 18.143792732 -0.866710222235 -2.40696806352 TCL: atom 1: phi = 0.0346331391196 TCL: Center of mass = 18.1472425174 -0.866722043647 -2.40730965123 TCL: atom 1: phi = 0.0338127430134 TCL: Center of mass = 18.1507052663 -0.866737858553 -2.4076475117 TCL: atom 1: phi = 0.0326422717953 TCL: Center of mass = 18.1541637819 -0.866749505696 -2.4079758713 TCL: atom 1: phi = 0.0318546466764 TCL: Center of mass = 18.1576287294 -0.866756037456 -2.40830158241 TCL: atom 1: phi = 0.0309409482977 TCL: Center of mass = 18.1611093965 -0.866765292693 -2.40861250636 TCL: atom 1: phi = 0.030621602671 TCL: Center of mass = 18.164597419 -0.866773578792 -2.40891994237 TCL: atom 1: phi = 0.0302112688405 TCL: Center of mass = 18.1680840906 -0.8667755974 -2.40923053903 TCL: atom 1: phi = 0.0302952855673 TCL: Center of mass = 18.1715665474 -0.866789239706 -2.40954169535 TCL: atom 1: phi = 0.030101753447 TCL: Center of mass = 18.1750601868 -0.866809540108 -2.40983208079 TCL: atom 1: phi = 0.0301125334146 TCL: Center of mass = 18.1785514764 -0.866837810499 -2.41012156436 TCL: atom 1: phi = 0.0296531023317 TCL: Center of mass = 18.1820382689 -0.866863065172 -2.41041438793 TCL: atom 1: phi = 0.0293604308523 TCL: Center of mass = 18.1855181296 -0.866878924015 -2.41070653929 TCL: atom 1: phi = 0.0286551937452 TCL: Center of mass = 18.188988313 -0.866899103796 -2.41100878562 TCL: atom 1: phi = 0.0282454062688 TCL: Center of mass = 18.1924508386 -0.866920641387 -2.41130476372 TCL: atom 1: phi = 0.0275982101446 TCL: Center of mass = 18.1959256624 -0.866933427278 -2.41160774082 TCL: atom 1: phi = 0.0273250893286 TCL: Center of mass = 18.1993994004 -0.86694337337 -2.4118951874 TCL: atom 1: phi = 0.0269486373044 TCL: Center of mass = 18.2028805497 -0.866950246852 -2.41218184822 TCL: atom 1: phi = 0.0269297296019 TCL: Center of mass = 18.2063562396 -0.866961650936 -2.41246855981 TCL: atom 1: phi = 0.0266185541353 TCL: Center of mass = 18.2098359606 -0.866975381463 -2.41276518092 TCL: atom 1: phi = 0.0265035902634 TCL: Center of mass = 18.2133287968 -0.866996182432 -2.41307155872 TCL: atom 1: phi = 0.0258984657216 TCL: Center of mass = 18.2168188274 -0.867015638549 -2.41338595951 TCL: atom 1: phi = 0.0254139313837 TCL: Center of mass = 18.2203101794 -0.867029706349 -2.4137049833 TCL: atom 1: phi = 0.0244580412642 TCL: Center of mass = 18.2238057928 -0.86703374452 -2.41403141932 TCL: atom 1: phi = 0.0237751773899 TCL: Center of mass = 18.2272903846 -0.867033244288 -2.41436395895 TCL: atom 1: phi = 0.0228402406506 TCL: Center of mass = 18.2307757115 -0.867038997025 -2.41470865814 TCL: atom 1: phi = 0.0223120865532 TIMING: 7200 CPU: 1226.18, 0.172134/step Wall: 1499.89, 0.210735/step, 0.74928 hours remaining, 21478 kB of memory in use. ENERGY: 7200 405.3929 673.2353 417.1921 41.2064 -2767.9549 -231.4906 0.0000 0.0000 1149.3392 -313.0795 313.2271 -304.4276 -304.6062 314.6413 344.2507 383.1590 64000.0000 605.7305 603.8317 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7200 WRITING COORDINATES TO DCD FILE AT STEP 7200 WRITING COORDINATES TO RESTART FILE AT STEP 7200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 18.2342646165 -0.86704451017 -2.41506362889 TCL: atom 1: phi = 0.0215643292761 TCL: Center of mass = 18.2377422179 -0.867045994618 -2.41542741365 TCL: atom 1: phi = 0.0211503771472 TCL: Center of mass = 18.2412189981 -0.867058164253 -2.41580165597 TCL: atom 1: phi = 0.0204494874377 TCL: Center of mass = 18.24468747 -0.867067516688 -2.41617107793 TCL: atom 1: phi = 0.0199381793917 TCL: Center of mass = 18.248155656 -0.867079984936 -2.41654462048 TCL: atom 1: phi = 0.0190135216146 TCL: Center of mass = 18.2516119137 -0.86707925247 -2.41692479997 TCL: atom 1: phi = 0.0181498738705 TCL: Center of mass = 18.2550741534 -0.867083809381 -2.4173008048 TCL: atom 1: phi = 0.0169460122764 TCL: Center of mass = 18.2585196083 -0.867085657697 -2.41767849353 TCL: atom 1: phi = 0.0159941181937 TCL: Center of mass = 18.2619685751 -0.86709529194 -2.41805931315 TCL: atom 1: phi = 0.014891148296 TCL: Center of mass = 18.2654080077 -0.867108147067 -2.41844667318 TCL: atom 1: phi = 0.0142091598125 TCL: Center of mass = 18.2688346613 -0.867129680189 -2.41882935201 TCL: atom 1: phi = 0.0136260877782 TCL: Center of mass = 18.2722634752 -0.867157713107 -2.41919519244 TCL: atom 1: phi = 0.0134821816827 TCL: Center of mass = 18.2756852405 -0.867169917564 -2.41955354902 TCL: atom 1: phi = 0.0133771351446 TCL: Center of mass = 18.27910781 -0.867185124014 -2.41990147712 TCL: atom 1: phi = 0.0135615678505 TCL: Center of mass = 18.282520803 -0.867195070873 -2.42024645805 TCL: atom 1: phi = 0.013615119328 TCL: Center of mass = 18.2859348594 -0.867205318116 -2.42057903253 TCL: atom 1: phi = 0.0138023466432 TCL: Center of mass = 18.2893513307 -0.867222820761 -2.42089932757 TCL: atom 1: phi = 0.0137329484433 TCL: Center of mass = 18.2927636598 -0.867232682031 -2.4212200369 TCL: atom 1: phi = 0.0138311157038 TCL: Center of mass = 18.2961836133 -0.867227690134 -2.42152549226 TCL: atom 1: phi = 0.0138549113337 TCL: Center of mass = 18.2995910764 -0.867225685958 -2.42184611654 TCL: atom 1: phi = 0.0142455929737 TCL: Center of mass = 18.3029999524 -0.867214718402 -2.42217544294 TCL: atom 1: phi = 0.0145800823362 TCL: Center of mass = 18.3064106341 -0.867206267582 -2.42250644611 TCL: atom 1: phi = 0.0153139441667 TCL: Center of mass = 18.3098247994 -0.867197059473 -2.42283990524 TCL: atom 1: phi = 0.0159359135185 TCL: Center of mass = 18.3132416612 -0.867205765177 -2.42317288784 TCL: atom 1: phi = 0.0167682289031 TCL: Center of mass = 18.3166540861 -0.867212697335 -2.42349580975 TCL: atom 1: phi = 0.0172426576907 TCL: Center of mass = 18.3200765592 -0.867219944362 -2.42381928273 TCL: atom 1: phi = 0.0177546077785 TCL: Center of mass = 18.3234958125 -0.867231201586 -2.42414792821 TCL: atom 1: phi = 0.0178039927178 TCL: Center of mass = 18.3269121957 -0.86724908029 -2.42449122859 TCL: atom 1: phi = 0.0178927563306 TCL: Center of mass = 18.3303269895 -0.867264510273 -2.4248288949 TCL: atom 1: phi = 0.0176508572628 TCL: Center of mass = 18.3337530771 -0.867269521671 -2.42517426781 TCL: atom 1: phi = 0.0176574298198 TCL: Center of mass = 18.3371877304 -0.867276693118 -2.42553020418 TCL: atom 1: phi = 0.0175374240449 TCL: Center of mass = 18.3406273889 -0.867288746465 -2.42587904656 TCL: atom 1: phi = 0.0177359917877 TCL: Center of mass = 18.3440549477 -0.86730567869 -2.42623176349 TCL: atom 1: phi = 0.017717551986 TCL: Center of mass = 18.3474762205 -0.86732312734 -2.42658928781 TCL: atom 1: phi = 0.0179438001866 TCL: Center of mass = 18.3508927565 -0.867343393248 -2.42693762268 TCL: atom 1: phi = 0.0178334074081 TCL: Center of mass = 18.3542938559 -0.867364839301 -2.42729337745 TCL: atom 1: phi = 0.0177993682057 TCL: Center of mass = 18.3576901675 -0.867378080999 -2.42765141278 TCL: atom 1: phi = 0.0172719770281 TCL: Center of mass = 18.3610876828 -0.867390600237 -2.42800591836 TCL: atom 1: phi = 0.0168141350373 TCL: Center of mass = 18.3644905713 -0.867389829722 -2.42837295989 TCL: atom 1: phi = 0.0160514530761 TCL: Center of mass = 18.3678909037 -0.867382987105 -2.42873739619 TCL: atom 1: phi = 0.0155944419218 TCL: Center of mass = 18.3712881004 -0.867371012011 -2.42910611049 TCL: atom 1: phi = 0.0149517884682 TCL: Center of mass = 18.3746942807 -0.867347934774 -2.42946368801 TCL: atom 1: phi = 0.0147391786599 TCL: Center of mass = 18.3781011369 -0.86730683362 -2.42982964047 TCL: atom 1: phi = 0.014319605377 TCL: Center of mass = 18.3815068842 -0.867276933162 -2.4301989671 TCL: atom 1: phi = 0.0142654823354 TCL: Center of mass = 18.3849128955 -0.867237344717 -2.43056417161 TCL: atom 1: phi = 0.0139061178274 TCL: Center of mass = 18.3883009236 -0.86719282875 -2.4309433858 TCL: atom 1: phi = 0.0136661248138 TCL: Center of mass = 18.3916741386 -0.867152264317 -2.4313300221 TCL: atom 1: phi = 0.0129329117872 TCL: Center of mass = 18.3950516461 -0.867114353628 -2.43172600121 TCL: atom 1: phi = 0.0122730329744 TCL: Center of mass = 18.3984279377 -0.867080591951 -2.43213101273 TCL: atom 1: phi = 0.0112311910512 TCL: Center of mass = 18.4017992419 -0.867043345241 -2.43253943253 TCL: atom 1: phi = 0.01054043563 TCL: Center of mass = 18.4051750653 -0.866990178252 -2.43295634915 TCL: atom 1: phi = 0.00963584621917 TCL: Center of mass = 18.4085437678 -0.866927745431 -2.43338321005 TCL: atom 1: phi = 0.00913900485783 TCL: Center of mass = 18.4119116118 -0.866867903886 -2.43381684989 TCL: atom 1: phi = 0.0086062163695 TCL: Center of mass = 18.4152841464 -0.866811337784 -2.43424603339 TCL: atom 1: phi = 0.00848089834685 TCL: Center of mass = 18.4186592549 -0.866744683315 -2.43467852934 TCL: atom 1: phi = 0.00810602913033 TCL: Center of mass = 18.4220298128 -0.866684922973 -2.43511084277 TCL: atom 1: phi = 0.00800800796445 TCL: Center of mass = 18.4254121257 -0.8666246639 -2.43554200412 TCL: atom 1: phi = 0.00755064860094 TCL: Center of mass = 18.4287889911 -0.866573696592 -2.43597362305 TCL: atom 1: phi = 0.0072701091775 TCL: Center of mass = 18.4321668342 -0.866520608505 -2.43641620101 TCL: atom 1: phi = 0.00665697882949 TCL: Center of mass = 18.435533871 -0.866474238554 -2.43686435176 TCL: atom 1: phi = 0.00635575740338 TCL: Center of mass = 18.4388933001 -0.866426014616 -2.43731870483 TCL: atom 1: phi = 0.00576792615178 TCL: Center of mass = 18.4422533644 -0.866385207984 -2.43777018424 TCL: atom 1: phi = 0.005617412924 TCL: Center of mass = 18.4455998314 -0.86633292078 -2.43820994606 TCL: atom 1: phi = 0.00525969629795 TCL: Center of mass = 18.4489475995 -0.866289593777 -2.43864775127 TCL: atom 1: phi = 0.00525054920249 TCL: Center of mass = 18.4522933401 -0.86624073563 -2.43908245269 TCL: atom 1: phi = 0.00491133248022 TCL: Center of mass = 18.4556322944 -0.866189461126 -2.43951533742 TCL: atom 1: phi = 0.00475035942024 TCL: Center of mass = 18.4589584472 -0.866132423982 -2.43994555694 TCL: atom 1: phi = 0.00408711068478 TCL: Center of mass = 18.4622786404 -0.866080726195 -2.44039216391 TCL: atom 1: phi = 0.00356813350497 TCL: Center of mass = 18.4656151402 -0.866020398324 -2.44083275633 TCL: atom 1: phi = 0.00267708621293 TCL: Center of mass = 18.4689490237 -0.86596106953 -2.44128216096 TCL: atom 1: phi = 0.00207851357645 TCL: Center of mass = 18.4722824793 -0.865912615073 -2.44173398031 TCL: atom 1: phi = 0.00126001277023 TCL: Center of mass = 18.4756077669 -0.865866177774 -2.44218489461 TCL: atom 1: phi = 0.000824189070747 TCL: Center of mass = 18.4789288925 -0.865823655152 -2.44263261036 TCL: atom 1: phi = 0.000291157533903 TCL: Center of mass = 18.4822465683 -0.865784785085 -2.44307707026 TCL: atom 1: phi = 0.000192833975026 TCL: Center of mass = 18.48556909 -0.865738641925 -2.44352081012 TCL: atom 1: phi = -0.000137668645292 TCL: Center of mass = 18.4888883783 -0.865694612394 -2.44396344591 TCL: atom 1: phi = -0.000185327681421 TCL: Center of mass = 18.4922096983 -0.865648715422 -2.44440133412 TCL: atom 1: phi = -0.000649911369649 TCL: Center of mass = 18.4955288043 -0.865604529578 -2.4448297677 TCL: atom 1: phi = -0.000898460015771 TCL: Center of mass = 18.4988515376 -0.865564557133 -2.44525468558 TCL: atom 1: phi = -0.00154339484749 TCL: Center of mass = 18.5021766447 -0.865533330523 -2.44567303042 TCL: atom 1: phi = -0.00192136807673 TCL: Center of mass = 18.5054964199 -0.865494409166 -2.44608026042 TCL: atom 1: phi = -0.00262141948823 TCL: Center of mass = 18.5088187635 -0.865444209806 -2.44649892294 TCL: atom 1: phi = -0.00294989039203 TCL: Center of mass = 18.5121420521 -0.865396279064 -2.4469011897 TCL: atom 1: phi = -0.00338234568798 TCL: Center of mass = 18.5154729736 -0.865334871357 -2.44729746205 TCL: atom 1: phi = -0.00344707605562 TCL: Center of mass = 18.5187996392 -0.865274023762 -2.44769448566 TCL: atom 1: phi = -0.00376051753591 TCL: Center of mass = 18.5221245553 -0.865206298045 -2.44808592551 TCL: atom 1: phi = -0.00377403333325 TCL: Center of mass = 18.525446252 -0.865137628388 -2.44848552988 TCL: atom 1: phi = -0.00408532764158 TCL: Center of mass = 18.5287673489 -0.865079740832 -2.44888184932 TCL: atom 1: phi = -0.00415129337305 TCL: Center of mass = 18.5320924377 -0.865037512836 -2.44928431082 TCL: atom 1: phi = -0.00452756169466 TCL: Center of mass = 18.5354156565 -0.864991695903 -2.44967935544 TCL: atom 1: phi = -0.00463669798755 TCL: Center of mass = 18.5387345025 -0.864940746527 -2.45006211512 TCL: atom 1: phi = -0.00488218281193 TCL: Center of mass = 18.5420545557 -0.864879038001 -2.45044379371 TCL: atom 1: phi = -0.00466001200438 TCL: Center of mass = 18.5453672216 -0.864826352075 -2.45082511826 TCL: atom 1: phi = -0.0045422105229 TCL: Center of mass = 18.548692542 -0.864768242424 -2.45120397244 TCL: atom 1: phi = -0.00391251585491 TCL: Center of mass = 18.5520274404 -0.864707980739 -2.45158121952 TCL: atom 1: phi = -0.0034154076161 TCL: Center of mass = 18.55536826 -0.864637232393 -2.45196322003 TCL: atom 1: phi = -0.00263604615882 TCL: Center of mass = 18.5587086864 -0.864570378541 -2.4523478406 TCL: atom 1: phi = -0.0021788971669 TCL: Center of mass = 18.5620523177 -0.864512227264 -2.45272347283 TCL: atom 1: phi = -0.0015393456524 TCL: Center of mass = 18.56540373 -0.864449935527 -2.45309853159 TCL: atom 1: phi = -0.00140702829808 TCL: Center of mass = 18.5687606786 -0.864390310755 -2.45346390597 TCL: atom 1: phi = -0.00109971041137 TIMING: 7300 CPU: 1243.36, 0.171794/step Wall: 1520.94, 0.210518/step, 0.74266 hours remaining, 21488 kB of memory in use. ENERGY: 7300 423.4686 679.6046 424.8543 44.3818 -2797.9656 -211.4884 0.0000 0.0000 1104.5236 -332.6211 301.0136 -324.4368 -322.8730 311.8619 61.5717 148.0987 64000.0000 455.7903 456.0391 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7300 WRITING COORDINATES TO DCD FILE AT STEP 7300 WRITING COORDINATES TO RESTART FILE AT STEP 7300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 18.5721299837 -0.864346611722 -2.45382483409 TCL: atom 1: phi = -0.0011590038187 TCL: Center of mass = 18.5754767868 -0.864289070737 -2.45418881712 TCL: atom 1: phi = -0.00102731919794 TCL: Center of mass = 18.5788249507 -0.864226898475 -2.45455938588 TCL: atom 1: phi = -0.00121876913189 TCL: Center of mass = 18.5821761249 -0.86415805581 -2.45492630525 TCL: atom 1: phi = -0.00118048513765 TCL: Center of mass = 18.5855263384 -0.864087968657 -2.45528929145 TCL: atom 1: phi = -0.00142133995949 TCL: Center of mass = 18.5888629335 -0.864003125183 -2.45566111573 TCL: atom 1: phi = -0.00145339913157 TCL: Center of mass = 18.5922008587 -0.863920820917 -2.45602822288 TCL: atom 1: phi = -0.00184932487473 TCL: Center of mass = 18.5955449485 -0.863836761162 -2.45639749692 TCL: atom 1: phi = -0.00198507869082 TCL: Center of mass = 18.5988933644 -0.863744615723 -2.45675947475 TCL: atom 1: phi = -0.0024873361378 TCL: Center of mass = 18.6022378027 -0.863655112628 -2.45712709051 TCL: atom 1: phi = -0.00276095919004 TCL: Center of mass = 18.6055775535 -0.863561119993 -2.45750352241 TCL: atom 1: phi = -0.00326787161763 TCL: Center of mass = 18.6089192443 -0.863461782827 -2.45788251194 TCL: atom 1: phi = -0.0033657576388 TCL: Center of mass = 18.6122590122 -0.863361376391 -2.45827069462 TCL: atom 1: phi = -0.00358040305119 TCL: Center of mass = 18.6156038273 -0.863255380284 -2.45864643016 TCL: atom 1: phi = -0.00328942992287 TCL: Center of mass = 18.6189507813 -0.863145911811 -2.45901877459 TCL: atom 1: phi = -0.00307458436181 TCL: Center of mass = 18.6222876734 -0.863030566783 -2.45939486191 TCL: atom 1: phi = -0.00239956491295 TCL: Center of mass = 18.6256218403 -0.862921156195 -2.45976466402 TCL: atom 1: phi = -0.00197620063366 TCL: Center of mass = 18.6289536039 -0.86281248629 -2.46013982315 TCL: atom 1: phi = -0.0012760840096 TCL: Center of mass = 18.6322889211 -0.862700766464 -2.46051355197 TCL: atom 1: phi = -0.00104103156216 TCL: Center of mass = 18.6356267541 -0.862596823899 -2.46088202961 TCL: atom 1: phi = -0.000625609112993 TCL: Center of mass = 18.6389604272 -0.862495697748 -2.46125296253 TCL: atom 1: phi = -0.000687551988406 TCL: Center of mass = 18.6422782621 -0.862398238279 -2.46161865854 TCL: atom 1: phi = -0.000577643313733 TCL: Center of mass = 18.6455928306 -0.862298105287 -2.46198013754 TCL: atom 1: phi = -0.000930626178025 TCL: Center of mass = 18.6489006274 -0.862192970025 -2.46234450989 TCL: atom 1: phi = -0.000948678930643 TCL: Center of mass = 18.652206301 -0.862098594067 -2.46270704712 TCL: atom 1: phi = -0.00137130609268 TCL: Center of mass = 18.655516334 -0.862017085425 -2.46307189236 TCL: atom 1: phi = -0.00150815307234 TCL: Center of mass = 18.6588277544 -0.861936543962 -2.46343878117 TCL: atom 1: phi = -0.00204300415056 TCL: Center of mass = 18.6621286954 -0.861866018204 -2.4638073999 TCL: atom 1: phi = -0.00235609855239 TCL: Center of mass = 18.6654401937 -0.86178154168 -2.46417713435 TCL: atom 1: phi = -0.00311549466678 TCL: Center of mass = 18.6687529424 -0.861702863046 -2.46454751751 TCL: atom 1: phi = -0.00353520710399 TCL: Center of mass = 18.6720663315 -0.861624654996 -2.46490917572 TCL: atom 1: phi = -0.00428961628688 TCL: Center of mass = 18.6753856529 -0.861539249498 -2.46526602476 TCL: atom 1: phi = -0.00461701664867 TCL: Center of mass = 18.6786954611 -0.861459633507 -2.46561442163 TCL: atom 1: phi = -0.00522524301864 TCL: Center of mass = 18.6820006591 -0.861386374124 -2.46596278255 TCL: atom 1: phi = -0.00533412566109 TCL: Center of mass = 18.6853106983 -0.86130605572 -2.46631959466 TCL: atom 1: phi = -0.00570082160363 TCL: Center of mass = 18.6886160865 -0.861223361441 -2.46667349046 TCL: atom 1: phi = -0.00559197106565 TCL: Center of mass = 18.6919179235 -0.861146580495 -2.46701068424 TCL: atom 1: phi = -0.0058072503576 TCL: Center of mass = 18.6952277911 -0.861072599568 -2.4673505682 TCL: atom 1: phi = -0.00563747735252 TCL: Center of mass = 18.6985431107 -0.860998962767 -2.46768695243 TCL: atom 1: phi = -0.00586503633644 TCL: Center of mass = 18.7018650071 -0.860923891863 -2.46802005415 TCL: atom 1: phi = -0.0058253699719 TCL: Center of mass = 18.7051822838 -0.860851841795 -2.46836074265 TCL: atom 1: phi = -0.00625176315088 TCL: Center of mass = 18.7084886049 -0.860772770809 -2.4686984421 TCL: atom 1: phi = -0.00641467285262 TCL: Center of mass = 18.7117872388 -0.860683529183 -2.4690460945 TCL: atom 1: phi = -0.00700937102926 TCL: Center of mass = 18.715077977 -0.860592322068 -2.46940480759 TCL: atom 1: phi = -0.00722799194646 TCL: Center of mass = 18.7183724403 -0.860503535572 -2.46977008101 TCL: atom 1: phi = -0.00776377652871 TCL: Center of mass = 18.7216657513 -0.860429562351 -2.47013701049 TCL: atom 1: phi = -0.00789654108737 TCL: Center of mass = 18.7249552654 -0.860356309011 -2.47049931902 TCL: atom 1: phi = -0.00830585398379 TCL: Center of mass = 18.7282397118 -0.860285502209 -2.47086454149 TCL: atom 1: phi = -0.0083456064217 TCL: Center of mass = 18.7315256406 -0.860210448725 -2.47122041331 TCL: atom 1: phi = -0.00869053043299 TCL: Center of mass = 18.7348070233 -0.860134370273 -2.47157219705 TCL: atom 1: phi = -0.00869576751373 TCL: Center of mass = 18.7380993645 -0.860055026053 -2.47193046756 TCL: atom 1: phi = -0.00894570955662 TCL: Center of mass = 18.741394455 -0.859974056861 -2.47227575874 TCL: atom 1: phi = -0.00878126166561 TCL: Center of mass = 18.7446873443 -0.859877264721 -2.47260944196 TCL: atom 1: phi = -0.00886536646843 TCL: Center of mass = 18.7479693789 -0.859790311719 -2.4729315587 TCL: atom 1: phi = -0.00852364876987 TCL: Center of mass = 18.7512430042 -0.859702797903 -2.47325539317 TCL: atom 1: phi = -0.00842184071615 TCL: Center of mass = 18.7545142143 -0.859618198872 -2.47356081403 TCL: atom 1: phi = -0.0079243869895 TCL: Center of mass = 18.7578016061 -0.859547428402 -2.4738699306 TCL: atom 1: phi = -0.00774840139317 TCL: Center of mass = 18.7610856387 -0.859482762849 -2.47417031253 TCL: atom 1: phi = -0.0072507359698 TCL: Center of mass = 18.7643629647 -0.859408631092 -2.47447831275 TCL: atom 1: phi = -0.00722721111117 TCL: Center of mass = 18.7676379421 -0.859342281743 -2.47478807733 TCL: atom 1: phi = -0.00701249990359 TCL: Center of mass = 18.7709187206 -0.859273263294 -2.47510233475 TCL: atom 1: phi = -0.0073843110867 TCL: Center of mass = 18.7742006335 -0.859208835913 -2.47541185433 TCL: atom 1: phi = -0.00758768458916 TCL: Center of mass = 18.7774760382 -0.859157552942 -2.47572447291 TCL: atom 1: phi = -0.00839874684174 TCL: Center of mass = 18.7807431663 -0.859089312129 -2.47603255535 TCL: atom 1: phi = -0.00898965728716 TCL: Center of mass = 18.7840083009 -0.859020347791 -2.47634021163 TCL: atom 1: phi = -0.0100662970084 TCL: Center of mass = 18.7872745578 -0.858943193865 -2.4766457997 TCL: atom 1: phi = -0.0108358167645 TCL: Center of mass = 18.7905440972 -0.858869862689 -2.47693868046 TCL: atom 1: phi = -0.011968038042 TCL: Center of mass = 18.793813438 -0.858801711037 -2.47721604072 TCL: atom 1: phi = -0.0127297718016 TCL: Center of mass = 18.7970973077 -0.858722373475 -2.47749644356 TCL: atom 1: phi = -0.0137366694632 TCL: Center of mass = 18.8003872593 -0.85864118289 -2.47777733179 TCL: atom 1: phi = -0.0143088999134 TCL: Center of mass = 18.8036687766 -0.858555423824 -2.47806122394 TCL: atom 1: phi = -0.0151562789437 TCL: Center of mass = 18.8069569651 -0.858463434767 -2.47834437234 TCL: atom 1: phi = -0.0155908045119 TCL: Center of mass = 18.81024928 -0.85837636695 -2.4786288796 TCL: atom 1: phi = -0.0161874305501 TCL: Center of mass = 18.813536033 -0.858285378453 -2.47890315894 TCL: atom 1: phi = -0.0163159223299 TCL: Center of mass = 18.8168256416 -0.858187921194 -2.47917147579 TCL: atom 1: phi = -0.01661232463 TCL: Center of mass = 18.8201240973 -0.85810550116 -2.47944517065 TCL: atom 1: phi = -0.0164108929073 TCL: Center of mass = 18.8234235231 -0.858019689226 -2.47971636904 TCL: atom 1: phi = -0.016422795291 TCL: Center of mass = 18.8267148901 -0.857931475743 -2.47998675966 TCL: atom 1: phi = -0.0159794076938 TCL: Center of mass = 18.8300125897 -0.857849106851 -2.48025796858 TCL: atom 1: phi = -0.0158607557253 TCL: Center of mass = 18.8333140917 -0.857764094657 -2.48052384355 TCL: atom 1: phi = -0.0154253018956 TCL: Center of mass = 18.836609406 -0.857676667463 -2.48080247488 TCL: atom 1: phi = -0.015491354313 TCL: Center of mass = 18.8398965288 -0.857596694638 -2.4810814662 TCL: atom 1: phi = -0.015352830083 TCL: Center of mass = 18.8431880668 -0.857509668557 -2.48136350928 TCL: atom 1: phi = -0.0156840235095 TCL: Center of mass = 18.8464660066 -0.857423120043 -2.48165067244 TCL: atom 1: phi = -0.015779921272 TCL: Center of mass = 18.8497464569 -0.857333525569 -2.48192735989 TCL: atom 1: phi = -0.016288617218 TCL: Center of mass = 18.853025271 -0.857237534403 -2.48221087958 TCL: atom 1: phi = -0.0165064118087 TCL: Center of mass = 18.8563115226 -0.857143223299 -2.48249133423 TCL: atom 1: phi = -0.0170043535873 TCL: Center of mass = 18.8596012155 -0.857050332942 -2.48276371483 TCL: atom 1: phi = -0.0171442921907 TCL: Center of mass = 18.8628979532 -0.85695664807 -2.48303306409 TCL: atom 1: phi = -0.0175172325432 TCL: Center of mass = 18.8661923138 -0.856861312151 -2.48330339821 TCL: atom 1: phi = -0.0174714051539 TCL: Center of mass = 18.8694869793 -0.856760904014 -2.48358599214 TCL: atom 1: phi = -0.017647281268 TCL: Center of mass = 18.8727751869 -0.856662807194 -2.48387139116 TCL: atom 1: phi = -0.0174494378254 TCL: Center of mass = 18.8760656547 -0.856580618026 -2.48415385032 TCL: atom 1: phi = -0.0175549440775 TCL: Center of mass = 18.8793501191 -0.856500325115 -2.48442786411 TCL: atom 1: phi = -0.0172833683694 TCL: Center of mass = 18.8826314701 -0.856428678817 -2.48469701914 TCL: atom 1: phi = -0.0171967760044 TCL: Center of mass = 18.8859000287 -0.856356983756 -2.48496861422 TCL: atom 1: phi = -0.0167174958501 TCL: Center of mass = 18.8891618869 -0.856276719956 -2.4852434639 TCL: atom 1: phi = -0.0164872654893 TCL: Center of mass = 18.892420785 -0.856191836207 -2.4855174182 TCL: atom 1: phi = -0.0158420361139 TCL: Center of mass = 18.8956737944 -0.856108774449 -2.48579414131 TCL: atom 1: phi = -0.0155333720311 TCL: Center of mass = 18.8989366545 -0.856028325007 -2.48607095461 TCL: atom 1: phi = -0.0149374997329 TIMING: 7400 CPU: 1260.53, 0.171694/step Wall: 1541.97, 0.210279/step, 0.735975 hours remaining, 21502 kB of memory in use. ENERGY: 7400 391.2719 663.1318 422.5140 44.5924 -2800.0402 -219.6805 0.0000 0.0000 1148.8646 -349.3460 313.0977 -341.1651 -339.7508 307.4243 411.3703 438.7244 64000.0000 437.4541 437.5280 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7400 WRITING COORDINATES TO DCD FILE AT STEP 7400 WRITING COORDINATES TO RESTART FILE AT STEP 7400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 18.9022047534 -0.85594340795 -2.48634736195 TCL: atom 1: phi = -0.0147835394101 TCL: Center of mass = 18.9054722486 -0.855857705702 -2.48662882115 TCL: atom 1: phi = -0.014483158357 TCL: Center of mass = 18.908745224 -0.855780618603 -2.48690471635 TCL: atom 1: phi = -0.0146474120677 TCL: Center of mass = 18.9120300206 -0.855695590007 -2.48718947061 TCL: atom 1: phi = -0.0146787716662 TCL: Center of mass = 18.9153046373 -0.855622153707 -2.4874816321 TCL: atom 1: phi = -0.0152072973757 TCL: Center of mass = 18.9185767205 -0.855534841516 -2.48777267946 TCL: atom 1: phi = -0.0154204061551 TCL: Center of mass = 18.9218353681 -0.855457369316 -2.48807424305 TCL: atom 1: phi = -0.0158599072929 TCL: Center of mass = 18.925091945 -0.855390321824 -2.48836648184 TCL: atom 1: phi = -0.0158477777854 TCL: Center of mass = 18.928359882 -0.855328240203 -2.48865468853 TCL: atom 1: phi = -0.0159507040999 TCL: Center of mass = 18.9316255671 -0.855267756644 -2.4889370365 TCL: atom 1: phi = -0.0155764354741 TCL: Center of mass = 18.9348862426 -0.85521071851 -2.48922670678 TCL: atom 1: phi = -0.015324940667 TCL: Center of mass = 18.9381504812 -0.855166771069 -2.4895178056 TCL: atom 1: phi = -0.0146394031156 TCL: Center of mass = 18.9413964407 -0.855111749049 -2.48980085826 TCL: atom 1: phi = -0.0141524092212 TCL: Center of mass = 18.9446470134 -0.855058300557 -2.49009124438 TCL: atom 1: phi = -0.0131610028114 TCL: Center of mass = 18.9479006729 -0.855000306665 -2.49038171689 TCL: atom 1: phi = -0.0123032363439 TCL: Center of mass = 18.9511515314 -0.854941497395 -2.49065972894 TCL: atom 1: phi = -0.0108672147554 TCL: Center of mass = 18.9544000436 -0.85488165856 -2.49094374318 TCL: atom 1: phi = -0.0095364617557 TCL: Center of mass = 18.9576518158 -0.854822125785 -2.49122656878 TCL: atom 1: phi = -0.00762524318621 TCL: Center of mass = 18.960902776 -0.854766080952 -2.49150738233 TCL: atom 1: phi = -0.00590095749559 TCL: Center of mass = 18.9641460448 -0.854706323979 -2.491787828 TCL: atom 1: phi = -0.00371714099909 TCL: Center of mass = 18.9673914815 -0.854641743523 -2.49206981847 TCL: atom 1: phi = -0.00199059464283 TCL: Center of mass = 18.9706337462 -0.854573051766 -2.49235315573 TCL: atom 1: phi = 9.860471051e-06 TCL: Center of mass = 18.9738730088 -0.854496544463 -2.49262960101 TCL: atom 1: phi = 0.00129780812647 TCL: Center of mass = 18.9771156717 -0.85442087868 -2.49291238748 TCL: atom 1: phi = 0.00264614637645 TCL: Center of mass = 18.980354732 -0.854337359845 -2.49318972057 TCL: atom 1: phi = 0.00321741459636 TCL: Center of mass = 18.9835926315 -0.854255135348 -2.49346781281 TCL: atom 1: phi = 0.00405754726765 TCL: Center of mass = 18.9868452145 -0.854170485768 -2.49374958429 TCL: atom 1: phi = 0.00438135296299 TCL: Center of mass = 18.9900945883 -0.854079943009 -2.49401865269 TCL: atom 1: phi = 0.0050483688144 TCL: Center of mass = 18.9933223503 -0.853990083548 -2.4942817306 TCL: atom 1: phi = 0.00518945113695 TCL: Center of mass = 18.9965537185 -0.853893933362 -2.49453678492 TCL: atom 1: phi = 0.00571055008316 TCL: Center of mass = 18.9997750256 -0.853804235265 -2.4947904069 TCL: atom 1: phi = 0.00574411939212 TCL: Center of mass = 19.0029921352 -0.853708897577 -2.49505737352 TCL: atom 1: phi = 0.00611610729181 TCL: Center of mass = 19.0062105283 -0.853614457146 -2.49532474293 TCL: atom 1: phi = 0.0060216156736 TCL: Center of mass = 19.0094295725 -0.853519880846 -2.49558071303 TCL: atom 1: phi = 0.00630432888389 TCL: Center of mass = 19.0126447243 -0.853424166708 -2.49583871757 TCL: atom 1: phi = 0.00620491882342 TCL: Center of mass = 19.0158574717 -0.853324522441 -2.49610055494 TCL: atom 1: phi = 0.00648961953957 TCL: Center of mass = 19.0190786818 -0.853228623231 -2.4963672534 TCL: atom 1: phi = 0.00649726110067 TCL: Center of mass = 19.0223017806 -0.853119659743 -2.49663484037 TCL: atom 1: phi = 0.00698796752307 TCL: Center of mass = 19.025523392 -0.853030957358 -2.4968947883 TCL: atom 1: phi = 0.00727927663137 TCL: Center of mass = 19.0287506572 -0.852944526381 -2.49716033137 TCL: atom 1: phi = 0.00791361342253 TCL: Center of mass = 19.0319879147 -0.852856070652 -2.49741637618 TCL: atom 1: phi = 0.00816383763937 TCL: Center of mass = 19.0352138392 -0.852758901978 -2.49767800146 TCL: atom 1: phi = 0.00857027903403 TCL: Center of mass = 19.0384452261 -0.852665503799 -2.49793624842 TCL: atom 1: phi = 0.0084835957334 TCL: Center of mass = 19.0416780141 -0.852578939229 -2.49818834147 TCL: atom 1: phi = 0.00854392325947 TCL: Center of mass = 19.0449089902 -0.852488586063 -2.49844101007 TCL: atom 1: phi = 0.00811939186179 TCL: Center of mass = 19.0481335668 -0.852384844426 -2.49868661054 TCL: atom 1: phi = 0.00786824772133 TCL: Center of mass = 19.0513575044 -0.852280314572 -2.49892538374 TCL: atom 1: phi = 0.00738039241564 TCL: Center of mass = 19.054586481 -0.852181884964 -2.49916403127 TCL: atom 1: phi = 0.00720458618273 TCL: Center of mass = 19.0578217039 -0.852099321733 -2.49939502861 TCL: atom 1: phi = 0.00683922321868 TCL: Center of mass = 19.0610603282 -0.852008895259 -2.49962047742 TCL: atom 1: phi = 0.00685690373007 TCL: Center of mass = 19.0642914713 -0.851912192362 -2.49984896981 TCL: atom 1: phi = 0.00670689682732 TCL: Center of mass = 19.0675214758 -0.851822944656 -2.5000732325 TCL: atom 1: phi = 0.00686090795999 TCL: Center of mass = 19.0707545582 -0.851730652859 -2.50030047226 TCL: atom 1: phi = 0.00674709966041 TCL: Center of mass = 19.0739854536 -0.851648998411 -2.50052536689 TCL: atom 1: phi = 0.00684800991988 TCL: Center of mass = 19.0772123687 -0.851566129928 -2.50073860763 TCL: atom 1: phi = 0.00663421726828 TCL: Center of mass = 19.080444281 -0.851472712046 -2.50094774969 TCL: atom 1: phi = 0.00666259619406 TCL: Center of mass = 19.0836708189 -0.851376390286 -2.50117417159 TCL: atom 1: phi = 0.00648751346603 TCL: Center of mass = 19.0868939359 -0.851277277917 -2.50140277335 TCL: atom 1: phi = 0.0066606928209 TCL: Center of mass = 19.0901297809 -0.851181588439 -2.50162972451 TCL: atom 1: phi = 0.00677528046669 TCL: Center of mass = 19.0933634428 -0.851084035388 -2.50185903037 TCL: atom 1: phi = 0.00728168409732 TCL: Center of mass = 19.0966002312 -0.850989178479 -2.50210339304 TCL: atom 1: phi = 0.00763796778576 TCL: Center of mass = 19.0998323576 -0.850886667444 -2.50234801827 TCL: atom 1: phi = 0.00818453471818 TCL: Center of mass = 19.1030687845 -0.850785765632 -2.50259201402 TCL: atom 1: phi = 0.00841710223784 TCL: Center of mass = 19.1063032878 -0.850689479604 -2.50285116686 TCL: atom 1: phi = 0.00873787919913 TCL: Center of mass = 19.1095428105 -0.850585065818 -2.50312578903 TCL: atom 1: phi = 0.00874848738545 TCL: Center of mass = 19.1127796258 -0.850467032561 -2.50340108041 TCL: atom 1: phi = 0.0089599081764 TCL: Center of mass = 19.1160042234 -0.850349423333 -2.50366915428 TCL: atom 1: phi = 0.0089633259186 TCL: Center of mass = 19.1192374447 -0.850241734396 -2.5039370849 TCL: atom 1: phi = 0.00929725052581 TCL: Center of mass = 19.1224634239 -0.850135897663 -2.50420179336 TCL: atom 1: phi = 0.0096253251057 TCL: Center of mass = 19.1256836535 -0.850035803983 -2.50447074563 TCL: atom 1: phi = 0.0103379703682 TCL: Center of mass = 19.1289040234 -0.849932163591 -2.50473187888 TCL: atom 1: phi = 0.0110297825185 TCL: Center of mass = 19.1321366602 -0.849826955132 -2.50499142153 TCL: atom 1: phi = 0.0120344700212 TCL: Center of mass = 19.1353715946 -0.849734934158 -2.50525552592 TCL: atom 1: phi = 0.0127643492956 TCL: Center of mass = 19.138607441 -0.849645467203 -2.50551810592 TCL: atom 1: phi = 0.0136409656183 TCL: Center of mass = 19.1418529034 -0.84955658428 -2.50578285355 TCL: atom 1: phi = 0.0141688250229 TCL: Center of mass = 19.1450952864 -0.849458595673 -2.50605886048 TCL: atom 1: phi = 0.0148328641422 TCL: Center of mass = 19.1483481739 -0.849351423872 -2.50632561759 TCL: atom 1: phi = 0.0152361355179 TCL: Center of mass = 19.151612739 -0.84924700108 -2.5065962934 TCL: atom 1: phi = 0.0159582645558 TCL: Center of mass = 19.1548768663 -0.849147769752 -2.50685773375 TCL: atom 1: phi = 0.0166116664998 TCL: Center of mass = 19.1581398838 -0.849054940198 -2.50713005875 TCL: atom 1: phi = 0.0176520508906 TCL: Center of mass = 19.1614016495 -0.848962152018 -2.50740812421 TCL: atom 1: phi = 0.0185732989596 TCL: Center of mass = 19.1646667528 -0.848881828653 -2.50767838602 TCL: atom 1: phi = 0.019739857938 TCL: Center of mass = 19.1679425489 -0.848801623423 -2.50794023803 TCL: atom 1: phi = 0.0206511074471 TCL: Center of mass = 19.1712305967 -0.848716435413 -2.50821339673 TCL: atom 1: phi = 0.0216867735099 TCL: Center of mass = 19.174515344 -0.848641231491 -2.50848720589 TCL: atom 1: phi = 0.0224059957185 TCL: Center of mass = 19.1778095598 -0.84855438944 -2.50876804805 TCL: atom 1: phi = 0.0233032675955 TCL: Center of mass = 19.1811047007 -0.848468964196 -2.50904825262 TCL: atom 1: phi = 0.024064391238 TCL: Center of mass = 19.184392105 -0.848377195802 -2.50933180892 TCL: atom 1: phi = 0.0252457121928 TCL: Center of mass = 19.187679035 -0.848295310285 -2.50961838504 TCL: atom 1: phi = 0.0263848167224 TCL: Center of mass = 19.1909583467 -0.848220868652 -2.50991163201 TCL: atom 1: phi = 0.0279355820474 TCL: Center of mass = 19.1942372341 -0.848137624542 -2.51020541411 TCL: atom 1: phi = 0.0294040915452 TCL: Center of mass = 19.1975238542 -0.848055450732 -2.51050985102 TCL: atom 1: phi = 0.0311761031222 TCL: Center of mass = 19.2008052552 -0.847966157846 -2.51080803965 TCL: atom 1: phi = 0.0326736641571 TCL: Center of mass = 19.2040883729 -0.847892466419 -2.51110309938 TCL: atom 1: phi = 0.0342313742169 TCL: Center of mass = 19.207358087 -0.847813232967 -2.51140064879 TCL: atom 1: phi = 0.0353596191263 TCL: Center of mass = 19.2106206101 -0.847738627626 -2.51171053785 TCL: atom 1: phi = 0.0366274949788 TCL: Center of mass = 19.2138785262 -0.847677116892 -2.51202348847 TCL: atom 1: phi = 0.0374765855851 TCL: Center of mass = 19.2171267809 -0.847613177769 -2.51232543918 TCL: atom 1: phi = 0.0385285069174 TCL: Center of mass = 19.2203778644 -0.847552532534 -2.5126312408 TCL: atom 1: phi = 0.0393488071517 TCL: Center of mass = 19.2236242343 -0.847488468594 -2.5129369439 TCL: atom 1: phi = 0.040447291133 TIMING: 7500 CPU: 1277.73, 0.171994/step Wall: 1563.02, 0.210569/step, 0.731142 hours remaining, 21588 kB of memory in use. ENERGY: 7500 390.2122 673.9888 429.8751 40.4619 -2795.3697 -220.1872 0.0000 0.0000 1122.0043 -359.0147 305.7775 -350.6884 -349.4201 304.8183 491.1465 493.6592 64000.0000 561.1203 561.7311 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7500 WRITING COORDINATES TO DCD FILE AT STEP 7500 WRITING COORDINATES TO RESTART FILE AT STEP 7500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.2268734201 -0.847425111433 -2.51323140086 TCL: atom 1: phi = 0.0412538173715 TCL: Center of mass = 19.2301109938 -0.847354561902 -2.5135258352 TCL: atom 1: phi = 0.0423186637603 TCL: Center of mass = 19.2333507682 -0.847286269216 -2.51381551567 TCL: atom 1: phi = 0.0429692319546 TCL: Center of mass = 19.2365787092 -0.847220821651 -2.51410280452 TCL: atom 1: phi = 0.0437789547227 TCL: Center of mass = 19.2398247314 -0.847159172918 -2.51439213037 TCL: atom 1: phi = 0.0441131874119 TCL: Center of mass = 19.2430781876 -0.847097294988 -2.51468554793 TCL: atom 1: phi = 0.0446164879425 TCL: Center of mass = 19.246339692 -0.847047457807 -2.51498851491 TCL: atom 1: phi = 0.0447580859282 TCL: Center of mass = 19.2495991391 -0.847013015966 -2.51530049003 TCL: atom 1: phi = 0.0453106212654 TCL: Center of mass = 19.2528783561 -0.846965166369 -2.51560654256 TCL: atom 1: phi = 0.0457210530639 TCL: Center of mass = 19.2561643392 -0.84691210804 -2.51591674607 TCL: atom 1: phi = 0.046643341739 TCL: Center of mass = 19.259459424 -0.846852588363 -2.51622554254 TCL: atom 1: phi = 0.0474430466393 TCL: Center of mass = 19.2627457436 -0.846780510619 -2.51654249585 TCL: atom 1: phi = 0.0486170708971 TCL: Center of mass = 19.2660318755 -0.846702917188 -2.51685966076 TCL: atom 1: phi = 0.0494101785243 TCL: Center of mass = 19.2693264952 -0.846631486607 -2.51718723182 TCL: atom 1: phi = 0.0503328497529 TCL: Center of mass = 19.2726177539 -0.846563349041 -2.51751268622 TCL: atom 1: phi = 0.0506915851297 TCL: Center of mass = 19.2758956079 -0.846477933499 -2.51782968052 TCL: atom 1: phi = 0.0510936227845 TCL: Center of mass = 19.2791743816 -0.846384617257 -2.51814589719 TCL: atom 1: phi = 0.050890510056 TCL: Center of mass = 19.2824640954 -0.846302576501 -2.51846583006 TCL: atom 1: phi = 0.0508273925779 TCL: Center of mass = 19.2857704087 -0.846214624236 -2.51878553876 TCL: atom 1: phi = 0.0503209950612 TCL: Center of mass = 19.289081815 -0.846120280847 -2.5190967025 TCL: atom 1: phi = 0.0500740058636 TCL: Center of mass = 19.2923875077 -0.846018933493 -2.51939067848 TCL: atom 1: phi = 0.0494668277342 TCL: Center of mass = 19.2956835923 -0.845916001812 -2.51968353613 TCL: atom 1: phi = 0.0491145606182 TCL: Center of mass = 19.298983379 -0.845817078077 -2.51998119793 TCL: atom 1: phi = 0.0483442431366 TCL: Center of mass = 19.3022885087 -0.845724590729 -2.52028525465 TCL: atom 1: phi = 0.0476161720923 TCL: Center of mass = 19.3055919823 -0.845633595334 -2.52060660628 TCL: atom 1: phi = 0.0464158960563 TCL: Center of mass = 19.3089064315 -0.845539107496 -2.5209190889 TCL: atom 1: phi = 0.0452325039854 TCL: Center of mass = 19.3122138093 -0.845440593468 -2.52124253029 TCL: atom 1: phi = 0.0436170201737 TCL: Center of mass = 19.3155226418 -0.845341647707 -2.52157060771 TCL: atom 1: phi = 0.0422315897788 TCL: Center of mass = 19.3188347438 -0.845242821999 -2.52190016653 TCL: atom 1: phi = 0.0407575580233 TCL: Center of mass = 19.3221396415 -0.84514701504 -2.5222266622 TCL: atom 1: phi = 0.0396643936764 TCL: Center of mass = 19.3254395591 -0.845046330188 -2.52255565504 TCL: atom 1: phi = 0.0385824874141 TCL: Center of mass = 19.3287342263 -0.84495112208 -2.52287704808 TCL: atom 1: phi = 0.0379448782561 TCL: Center of mass = 19.3320387379 -0.844843296354 -2.52319109199 TCL: atom 1: phi = 0.0372525184562 TCL: Center of mass = 19.3353302377 -0.844737340742 -2.52350297092 TCL: atom 1: phi = 0.0367673407004 TCL: Center of mass = 19.3386158253 -0.844641120025 -2.523815347 TCL: atom 1: phi = 0.0360406212142 TCL: Center of mass = 19.3418980602 -0.844551979703 -2.52412392451 TCL: atom 1: phi = 0.0355061066789 TCL: Center of mass = 19.3451695386 -0.844463222129 -2.52442590689 TCL: atom 1: phi = 0.0347128834955 TCL: Center of mass = 19.348439322 -0.84437542829 -2.52472869302 TCL: atom 1: phi = 0.0342065175482 TCL: Center of mass = 19.3517145916 -0.844298732383 -2.52502525385 TCL: atom 1: phi = 0.0336423148492 TCL: Center of mass = 19.3549915807 -0.844221309434 -2.52533073732 TCL: atom 1: phi = 0.0335367012722 TCL: Center of mass = 19.3582783374 -0.844136256192 -2.52563222093 TCL: atom 1: phi = 0.0335049244313 TCL: Center of mass = 19.3615617229 -0.844049012173 -2.52592698991 TCL: atom 1: phi = 0.0339397936013 TCL: Center of mass = 19.3648482085 -0.84397362739 -2.52621498574 TCL: atom 1: phi = 0.0343253011837 TCL: Center of mass = 19.368136884 -0.843902121375 -2.52650175155 TCL: atom 1: phi = 0.0349837028357 TCL: Center of mass = 19.3714150761 -0.843839988741 -2.52677464258 TCL: atom 1: phi = 0.0354096177639 TCL: Center of mass = 19.374680367 -0.843783576051 -2.5270515473 TCL: atom 1: phi = 0.0359646329451 TCL: Center of mass = 19.3779421967 -0.843731748304 -2.52732095734 TCL: atom 1: phi = 0.0362532711954 TCL: Center of mass = 19.3812059012 -0.843669676992 -2.52758272892 TCL: atom 1: phi = 0.0367562379737 TCL: Center of mass = 19.3844594305 -0.843616942163 -2.52786001318 TCL: atom 1: phi = 0.0371695014373 TCL: Center of mass = 19.3877080813 -0.843568198009 -2.52815163948 TCL: atom 1: phi = 0.0380332521832 TCL: Center of mass = 19.3909452141 -0.843511999705 -2.52845032633 TCL: atom 1: phi = 0.0388468564931 TCL: Center of mass = 19.3941842422 -0.843458450905 -2.52875397689 TCL: atom 1: phi = 0.0400918054792 TCL: Center of mass = 19.3974077948 -0.843403084785 -2.52905785017 TCL: atom 1: phi = 0.0412120475546 TCL: Center of mass = 19.4006100403 -0.843344666642 -2.52935647499 TCL: atom 1: phi = 0.042525994537 TCL: Center of mass = 19.4038116731 -0.843290976146 -2.529656968 TCL: atom 1: phi = 0.0433802899257 TCL: Center of mass = 19.4070191731 -0.843236156008 -2.52994761901 TCL: atom 1: phi = 0.0441981035505 TCL: Center of mass = 19.4102273277 -0.84317627438 -2.53023508346 TCL: atom 1: phi = 0.0444092911333 TCL: Center of mass = 19.4134213579 -0.843109974764 -2.53052237429 TCL: atom 1: phi = 0.0446610265078 TCL: Center of mass = 19.4166201693 -0.843046053741 -2.53081139297 TCL: atom 1: phi = 0.0444650533665 TCL: Center of mass = 19.4198178531 -0.842983448369 -2.5310991123 TCL: atom 1: phi = 0.0445513867382 TCL: Center of mass = 19.4230118966 -0.842922020258 -2.53139065186 TCL: atom 1: phi = 0.0444089730524 TCL: Center of mass = 19.4262000565 -0.842859030694 -2.53167309479 TCL: atom 1: phi = 0.0445643204809 TCL: Center of mass = 19.4293921872 -0.84280098904 -2.53196253121 TCL: atom 1: phi = 0.0444835142743 TCL: Center of mass = 19.4325781838 -0.842738225563 -2.53226748579 TCL: atom 1: phi = 0.0446610466721 TCL: Center of mass = 19.4357593251 -0.842675043329 -2.53257736314 TCL: atom 1: phi = 0.0444201575058 TCL: Center of mass = 19.4389392446 -0.842617731523 -2.53288950543 TCL: atom 1: phi = 0.0442928084937 TCL: Center of mass = 19.4421229293 -0.842559545188 -2.53320470685 TCL: atom 1: phi = 0.0437723727959 TCL: Center of mass = 19.4452945097 -0.84250908106 -2.53352317661 TCL: atom 1: phi = 0.0435264194843 TCL: Center of mass = 19.4484716983 -0.842453797814 -2.5338351836 TCL: atom 1: phi = 0.0431241764242 TCL: Center of mass = 19.4516442819 -0.842394830927 -2.5341385079 TCL: atom 1: phi = 0.0432069525233 TCL: Center of mass = 19.4548218286 -0.842338300232 -2.53444232407 TCL: atom 1: phi = 0.0432972788149 TCL: Center of mass = 19.4580010901 -0.842282801802 -2.53475559028 TCL: atom 1: phi = 0.0439059209717 TCL: Center of mass = 19.4611657921 -0.842237127117 -2.53506837138 TCL: atom 1: phi = 0.0443687293758 TCL: Center of mass = 19.464335674 -0.842191322785 -2.53537525301 TCL: atom 1: phi = 0.0450922358759 TCL: Center of mass = 19.4675067062 -0.842144653334 -2.53568569894 TCL: atom 1: phi = 0.0454376414963 TCL: Center of mass = 19.470689089 -0.842098359751 -2.53599791749 TCL: atom 1: phi = 0.0459067714417 TCL: Center of mass = 19.4738740801 -0.842049789423 -2.53632444707 TCL: atom 1: phi = 0.045845859 TCL: Center of mass = 19.477057713 -0.84199897575 -2.53664879852 TCL: atom 1: phi = 0.0458551662311 TCL: Center of mass = 19.4802339719 -0.841941688904 -2.53696214151 TCL: atom 1: phi = 0.0455210394005 TCL: Center of mass = 19.4834083832 -0.841880563014 -2.53726052995 TCL: atom 1: phi = 0.0454232794216 TCL: Center of mass = 19.4865782328 -0.84182181631 -2.53756174595 TCL: atom 1: phi = 0.0451521599576 TCL: Center of mass = 19.4897386674 -0.841746083446 -2.53786029691 TCL: atom 1: phi = 0.045286251213 TCL: Center of mass = 19.4928928422 -0.84168297542 -2.53815169203 TCL: atom 1: phi = 0.0453221487067 TCL: Center of mass = 19.4960395902 -0.841623196333 -2.53844491582 TCL: atom 1: phi = 0.0458113062422 TCL: Center of mass = 19.499185185 -0.841562698373 -2.53873224702 TCL: atom 1: phi = 0.0460755403774 TCL: Center of mass = 19.5023343374 -0.84150771263 -2.53901486627 TCL: atom 1: phi = 0.0465175458117 TCL: Center of mass = 19.5054808085 -0.841442313263 -2.53930083592 TCL: atom 1: phi = 0.0466760407245 TCL: Center of mass = 19.5086376219 -0.841366713135 -2.53958223582 TCL: atom 1: phi = 0.0470483624513 TCL: Center of mass = 19.5117995651 -0.841289542454 -2.53988098244 TCL: atom 1: phi = 0.0471607019445 TCL: Center of mass = 19.514981563 -0.841220228317 -2.5401866364 TCL: atom 1: phi = 0.0476083852182 TCL: Center of mass = 19.5181631632 -0.841149692386 -2.54050262005 TCL: atom 1: phi = 0.0479467234934 TCL: Center of mass = 19.521358931 -0.841079616176 -2.54081868024 TCL: atom 1: phi = 0.0486743848002 TCL: Center of mass = 19.5245594808 -0.841015250906 -2.54113315385 TCL: atom 1: phi = 0.0492465479295 TCL: Center of mass = 19.5277687243 -0.840947582918 -2.54143578525 TCL: atom 1: phi = 0.0500624938919 TCL: Center of mass = 19.530976502 -0.840889358248 -2.54173999946 TCL: atom 1: phi = 0.0504355418047 TCL: Center of mass = 19.5341881351 -0.840830934924 -2.54205653339 TCL: atom 1: phi = 0.0508741185397 TCL: Center of mass = 19.5373870317 -0.840764021124 -2.54239040443 TCL: atom 1: phi = 0.0505833569661 TCL: Center of mass = 19.5405724559 -0.840698364437 -2.54273097601 TCL: atom 1: phi = 0.0502484073342 TCL: Center of mass = 19.5437498875 -0.840635286909 -2.54306285539 TCL: atom 1: phi = 0.0493371805004 TCL: Center of mass = 19.5469403216 -0.840567566878 -2.54338778333 TCL: atom 1: phi = 0.04856947219 TIMING: 7600 CPU: 1294.96, 0.172314/step Wall: 1584.18, 0.211548/step, 0.728666 hours remaining, 21690 kB of memory in use. ENERGY: 7600 376.7218 646.7441 432.5718 39.8724 -2786.5394 -202.7914 0.0000 0.0000 1130.2693 -363.1513 308.0300 -354.7508 -354.2170 304.9588 909.6413 967.3804 64000.0000 402.3840 398.8306 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7600 WRITING COORDINATES TO DCD FILE AT STEP 7600 WRITING COORDINATES TO RESTART FILE AT STEP 7600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.5501318317 -0.840501238238 -2.54370634467 TCL: atom 1: phi = 0.047477180539 TCL: Center of mass = 19.5533306729 -0.840439795238 -2.544033972 TCL: atom 1: phi = 0.0467691606812 TCL: Center of mass = 19.5565404222 -0.840386181266 -2.54437140086 TCL: atom 1: phi = 0.0458176563817 TCL: Center of mass = 19.5597487026 -0.840326551764 -2.54470932222 TCL: atom 1: phi = 0.0452079701965 TCL: Center of mass = 19.562956312 -0.840273649971 -2.54503617588 TCL: atom 1: phi = 0.0443105512255 TCL: Center of mass = 19.566164587 -0.840222376241 -2.54537882083 TCL: atom 1: phi = 0.0436826019993 TCL: Center of mass = 19.5693735076 -0.840168665475 -2.54573088038 TCL: atom 1: phi = 0.0426916539297 TCL: Center of mass = 19.5725850185 -0.84011717989 -2.54608446735 TCL: atom 1: phi = 0.0420991049922 TCL: Center of mass = 19.5757905154 -0.840060454905 -2.54643462035 TCL: atom 1: phi = 0.041323547734 TCL: Center of mass = 19.578995995 -0.839998524858 -2.54679812035 TCL: atom 1: phi = 0.0410679079121 TCL: Center of mass = 19.5821948557 -0.83992737365 -2.54716002382 TCL: atom 1: phi = 0.0408392058584 TCL: Center of mass = 19.5853966677 -0.839858334682 -2.54751086488 TCL: atom 1: phi = 0.0412272770903 TCL: Center of mass = 19.5885961 -0.839792054281 -2.54786074032 TCL: atom 1: phi = 0.0416267870887 TCL: Center of mass = 19.5918044426 -0.839706238317 -2.54821628009 TCL: atom 1: phi = 0.0425749912643 TCL: Center of mass = 19.5950076532 -0.839608085699 -2.54857453823 TCL: atom 1: phi = 0.0433140464305 TCL: Center of mass = 19.598202986 -0.839506344615 -2.54893490799 TCL: atom 1: phi = 0.044317435833 TCL: Center of mass = 19.6014035345 -0.839391595903 -2.54929664012 TCL: atom 1: phi = 0.044826139778 TCL: Center of mass = 19.6046128815 -0.839276515691 -2.54966336261 TCL: atom 1: phi = 0.0455281192144 TCL: Center of mass = 19.6078217463 -0.839166064989 -2.55003285526 TCL: atom 1: phi = 0.0456792859783 TCL: Center of mass = 19.6110282229 -0.839061021332 -2.55039574891 TCL: atom 1: phi = 0.0460388830447 TCL: Center of mass = 19.6142474553 -0.838960957661 -2.55075406203 TCL: atom 1: phi = 0.0459699128535 TCL: Center of mass = 19.6174575918 -0.83885066464 -2.55111854906 TCL: atom 1: phi = 0.0462633885353 TCL: Center of mass = 19.6206625966 -0.838744894196 -2.55149186769 TCL: atom 1: phi = 0.046340989689 TCL: Center of mass = 19.6238611946 -0.838625517138 -2.55187812399 TCL: atom 1: phi = 0.0468860799178 TCL: Center of mass = 19.6270451604 -0.838504083041 -2.55226956145 TCL: atom 1: phi = 0.0471146556443 TCL: Center of mass = 19.6302366926 -0.838371996857 -2.55267526059 TCL: atom 1: phi = 0.0476313136504 TCL: Center of mass = 19.6334433051 -0.838235783087 -2.55307800436 TCL: atom 1: phi = 0.0477263813784 TCL: Center of mass = 19.6366547394 -0.838099116925 -2.55348911631 TCL: atom 1: phi = 0.0480522970722 TCL: Center of mass = 19.639862585 -0.83796252752 -2.55391233981 TCL: atom 1: phi = 0.0479502488616 TCL: Center of mass = 19.6430817086 -0.837829179198 -2.55432095197 TCL: atom 1: phi = 0.0481150272701 TCL: Center of mass = 19.646293844 -0.837701189952 -2.55473498045 TCL: atom 1: phi = 0.0480461239094 TCL: Center of mass = 19.6495115772 -0.83757388476 -2.55514010262 TCL: atom 1: phi = 0.0484213890957 TCL: Center of mass = 19.6527180907 -0.837442107414 -2.55554105433 TCL: atom 1: phi = 0.0486682289136 TCL: Center of mass = 19.6559224996 -0.837306069287 -2.55593870746 TCL: atom 1: phi = 0.0492919023092 TCL: Center of mass = 19.6591237675 -0.837162509481 -2.55632688145 TCL: atom 1: phi = 0.0497052787279 TCL: Center of mass = 19.66231807 -0.837013676876 -2.55669965574 TCL: atom 1: phi = 0.0503016727931 TCL: Center of mass = 19.665521801 -0.8368614198 -2.55708457804 TCL: atom 1: phi = 0.0503829798552 TCL: Center of mass = 19.6687199558 -0.836714345176 -2.55746676021 TCL: atom 1: phi = 0.0505346484513 TCL: Center of mass = 19.67190912 -0.836566803336 -2.55785961577 TCL: atom 1: phi = 0.0501587115507 TCL: Center of mass = 19.6750924381 -0.83641942122 -2.55824970356 TCL: atom 1: phi = 0.0499135501077 TCL: Center of mass = 19.6782842103 -0.836267586387 -2.55864073928 TCL: atom 1: phi = 0.0492757248548 TCL: Center of mass = 19.6814649064 -0.836115997946 -2.55903189128 TCL: atom 1: phi = 0.04894305691 TCL: Center of mass = 19.6846544576 -0.835969429175 -2.55942622899 TCL: atom 1: phi = 0.0484848916307 TCL: Center of mass = 19.6878431993 -0.835820553849 -2.55982825921 TCL: atom 1: phi = 0.0483992310143 TCL: Center of mass = 19.6910476584 -0.835673915694 -2.56023909461 TCL: atom 1: phi = 0.0482413662728 TCL: Center of mass = 19.6942334914 -0.83552010611 -2.56064095319 TCL: atom 1: phi = 0.0485230794471 TCL: Center of mass = 19.6974237573 -0.835360312414 -2.56104641428 TCL: atom 1: phi = 0.0486733681173 TCL: Center of mass = 19.70061783 -0.835207424114 -2.56144204215 TCL: atom 1: phi = 0.0491698565645 TCL: Center of mass = 19.7038063101 -0.835052250863 -2.56185574272 TCL: atom 1: phi = 0.0494748040694 TCL: Center of mass = 19.7070089543 -0.834888312184 -2.56227741489 TCL: atom 1: phi = 0.0501754255158 TCL: Center of mass = 19.7102018069 -0.834725953257 -2.56270533936 TCL: atom 1: phi = 0.0507370346815 TCL: Center of mass = 19.7133886701 -0.834563808439 -2.56312045628 TCL: atom 1: phi = 0.0517315698712 TCL: Center of mass = 19.7165815963 -0.834395347809 -2.56353516346 TCL: atom 1: phi = 0.0526975652111 TCL: Center of mass = 19.7197764066 -0.834228325309 -2.56395296073 TCL: atom 1: phi = 0.0540925089471 TCL: Center of mass = 19.7229710093 -0.834054258168 -2.56436464041 TCL: atom 1: phi = 0.0553533470739 TCL: Center of mass = 19.7261566974 -0.833877490295 -2.56477698377 TCL: atom 1: phi = 0.0569500848602 TCL: Center of mass = 19.7293370746 -0.833701383984 -2.56518451551 TCL: atom 1: phi = 0.0581866075345 TCL: Center of mass = 19.7325258789 -0.833528331748 -2.56559379709 TCL: atom 1: phi = 0.0596028349785 TCL: Center of mass = 19.7357184564 -0.83334949962 -2.56598767095 TCL: atom 1: phi = 0.0604688259845 TCL: Center of mass = 19.7389130381 -0.833185346126 -2.56637683557 TCL: atom 1: phi = 0.0614528773855 TCL: Center of mass = 19.7421030919 -0.833024199352 -2.56676887594 TCL: atom 1: phi = 0.0620010607498 TCL: Center of mass = 19.7452835963 -0.832865264056 -2.56716294516 TCL: atom 1: phi = 0.0628108145022 TCL: Center of mass = 19.748462423 -0.832719541976 -2.5675582908 TCL: atom 1: phi = 0.0632968465468 TCL: Center of mass = 19.7516401138 -0.832569976633 -2.56796231017 TCL: atom 1: phi = 0.0641619763602 TCL: Center of mass = 19.7548149037 -0.832417189721 -2.56835913214 TCL: atom 1: phi = 0.0646525317008 TCL: Center of mass = 19.7579872726 -0.832271017939 -2.56875458583 TCL: atom 1: phi = 0.065485771427 TCL: Center of mass = 19.7611614832 -0.832122404487 -2.56914116297 TCL: atom 1: phi = 0.0659142923924 TCL: Center of mass = 19.76433601 -0.831982096653 -2.56953056816 TCL: atom 1: phi = 0.0666091637577 TCL: Center of mass = 19.7675039808 -0.831840747372 -2.56991825538 TCL: atom 1: phi = 0.0668057719426 TCL: Center of mass = 19.7706712676 -0.831704041893 -2.57031765132 TCL: atom 1: phi = 0.0673311792962 TCL: Center of mass = 19.7738310367 -0.831566542156 -2.57071502223 TCL: atom 1: phi = 0.0673942011014 TCL: Center of mass = 19.7769906909 -0.831435352358 -2.57110735824 TCL: atom 1: phi = 0.0678108091794 TCL: Center of mass = 19.780161289 -0.831293104003 -2.57149337881 TCL: atom 1: phi = 0.0677771366384 TCL: Center of mass = 19.7833319891 -0.831160556542 -2.57187694001 TCL: atom 1: phi = 0.068145703024 TCL: Center of mass = 19.7864991656 -0.831032517471 -2.57226592294 TCL: atom 1: phi = 0.0680768515821 TCL: Center of mass = 19.789668532 -0.830914838411 -2.57264892677 TCL: atom 1: phi = 0.0683105706981 TCL: Center of mass = 19.7928432132 -0.830787402287 -2.57303493016 TCL: atom 1: phi = 0.0680286038874 TCL: Center of mass = 19.7960117137 -0.830674189316 -2.57342275702 TCL: atom 1: phi = 0.0679694531719 TCL: Center of mass = 19.7991825571 -0.830562744481 -2.57381217678 TCL: atom 1: phi = 0.0673438643494 TCL: Center of mass = 19.8023541333 -0.830450020423 -2.57419915492 TCL: atom 1: phi = 0.0669857482157 TCL: Center of mass = 19.8055302873 -0.830329569823 -2.57458763766 TCL: atom 1: phi = 0.0661488899329 TCL: Center of mass = 19.8087076397 -0.830200520858 -2.57498052783 TCL: atom 1: phi = 0.0655986076301 TCL: Center of mass = 19.8118814469 -0.830078296239 -2.57537861596 TCL: atom 1: phi = 0.0647293236924 TCL: Center of mass = 19.8150687018 -0.829959269616 -2.57577485941 TCL: atom 1: phi = 0.0642590299187 TCL: Center of mass = 19.8182582291 -0.829840018382 -2.57615657021 TCL: atom 1: phi = 0.0636249220488 TCL: Center of mass = 19.821453332 -0.829728357937 -2.57654596907 TCL: atom 1: phi = 0.0634801833512 TCL: Center of mass = 19.8246541752 -0.829620188546 -2.57692725617 TCL: atom 1: phi = 0.0632179282839 TCL: Center of mass = 19.8278387169 -0.829510371105 -2.57730360699 TCL: atom 1: phi = 0.063502569864 TCL: Center of mass = 19.8310299349 -0.829400791143 -2.5776802881 TCL: atom 1: phi = 0.0635869641836 TCL: Center of mass = 19.8342146063 -0.829288891218 -2.57804993074 TCL: atom 1: phi = 0.0641036474295 TCL: Center of mass = 19.8373967428 -0.829181728595 -2.57843293526 TCL: atom 1: phi = 0.0642861585434 TCL: Center of mass = 19.8405819054 -0.829083892441 -2.5788246351 TCL: atom 1: phi = 0.0647769436007 TCL: Center of mass = 19.8437519998 -0.82899113476 -2.57921811004 TCL: atom 1: phi = 0.0648975865484 TCL: Center of mass = 19.846932122 -0.82889401779 -2.57960852767 TCL: atom 1: phi = 0.0652971985493 TCL: Center of mass = 19.850117444 -0.828796335752 -2.57999684415 TCL: atom 1: phi = 0.0652228829827 TCL: Center of mass = 19.8533092578 -0.828687609385 -2.5803830801 TCL: atom 1: phi = 0.0653713162238 TCL: Center of mass = 19.8565037624 -0.828566594263 -2.5807733524 TCL: atom 1: phi = 0.0650680728645 TCL: Center of mass = 19.8596936327 -0.828440771406 -2.58116238851 TCL: atom 1: phi = 0.0649329613508 TCL: Center of mass = 19.8628928718 -0.828304862121 -2.58153984342 TCL: atom 1: phi = 0.0643227753832 TCL: Center of mass = 19.8661009276 -0.828171556346 -2.5819170724 TCL: atom 1: phi = 0.0637843568392 TIMING: 7700 CPU: 1312.2, 0.172394/step Wall: 1605.29, 0.211106/step, 0.721279 hours remaining, 21690 kB of memory in use. ENERGY: 7700 396.4078 677.7663 422.7389 47.0030 -2795.4152 -210.7106 0.0000 0.0000 1107.6273 -354.5825 301.8594 -346.3494 -345.1472 306.1437 515.3501 534.7046 64000.0000 539.7431 542.8995 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7700 WRITING COORDINATES TO DCD FILE AT STEP 7700 WRITING COORDINATES TO RESTART FILE AT STEP 7700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 19.869309285 -0.828038740545 -2.58228413168 TCL: atom 1: phi = 0.0628001109106 TCL: Center of mass = 19.8725295892 -0.827909210132 -2.58264054914 TCL: atom 1: phi = 0.0619417280215 TCL: Center of mass = 19.8757422887 -0.82779753638 -2.58299628333 TCL: atom 1: phi = 0.0607633758951 TCL: Center of mass = 19.8789606075 -0.827675797386 -2.58336162106 TCL: atom 1: phi = 0.0598415669778 TCL: Center of mass = 19.8821769222 -0.82755438856 -2.58373803908 TCL: atom 1: phi = 0.0587310463153 TCL: Center of mass = 19.8853864753 -0.827440382416 -2.58411650134 TCL: atom 1: phi = 0.0580303267083 TCL: Center of mass = 19.8885945029 -0.827323689788 -2.58450494196 TCL: atom 1: phi = 0.0572624587836 TCL: Center of mass = 19.8918007627 -0.827197931913 -2.58489233294 TCL: atom 1: phi = 0.0569310791926 TCL: Center of mass = 19.8949998595 -0.827078542788 -2.58528690137 TCL: atom 1: phi = 0.0565441305858 TCL: Center of mass = 19.8982112501 -0.826967234529 -2.58567469716 TCL: atom 1: phi = 0.0566082117718 TCL: Center of mass = 19.9014255937 -0.826849283991 -2.58606118855 TCL: atom 1: phi = 0.0565780644754 TCL: Center of mass = 19.9046382625 -0.826732091052 -2.58643760753 TCL: atom 1: phi = 0.0569784537174 TCL: Center of mass = 19.9078438241 -0.826615499016 -2.58681196613 TCL: atom 1: phi = 0.0572106552215 TCL: Center of mass = 19.9110520714 -0.826501980774 -2.58719680948 TCL: atom 1: phi = 0.0577472339198 TCL: Center of mass = 19.9142504184 -0.826395273153 -2.58758184917 TCL: atom 1: phi = 0.0581282118065 TCL: Center of mass = 19.9174492549 -0.826266661878 -2.58795630273 TCL: atom 1: phi = 0.0588611426459 TCL: Center of mass = 19.9206412405 -0.826136607643 -2.5883263645 TCL: atom 1: phi = 0.0593840743124 TCL: Center of mass = 19.9238622184 -0.826009163002 -2.58870725476 TCL: atom 1: phi = 0.0602098223818 TCL: Center of mass = 19.9270889352 -0.825880084253 -2.58908156144 TCL: atom 1: phi = 0.0607544483455 TCL: Center of mass = 19.9303212798 -0.825762391481 -2.58945106229 TCL: atom 1: phi = 0.0615629766112 TCL: Center of mass = 19.9335454467 -0.825645807259 -2.5898167629 TCL: atom 1: phi = 0.0620702193163 TCL: Center of mass = 19.9367636336 -0.825518672496 -2.59018758673 TCL: atom 1: phi = 0.0628579339078 TCL: Center of mass = 19.9399936907 -0.825391662386 -2.59054985107 TCL: atom 1: phi = 0.0632810376699 TCL: Center of mass = 19.9432223926 -0.825272819444 -2.59091430943 TCL: atom 1: phi = 0.0639916176136 TCL: Center of mass = 19.9464593793 -0.825152056665 -2.5912721036 TCL: atom 1: phi = 0.0643925061225 TCL: Center of mass = 19.9497024291 -0.825029814143 -2.59163454781 TCL: atom 1: phi = 0.0651305361879 TCL: Center of mass = 19.9529373533 -0.824920832635 -2.591992003 TCL: atom 1: phi = 0.0657191333792 TCL: Center of mass = 19.956181495 -0.824809136758 -2.59234197246 TCL: atom 1: phi = 0.0667577461681 TCL: Center of mass = 19.9594282445 -0.824695878713 -2.5926830528 TCL: atom 1: phi = 0.0676269534522 TCL: Center of mass = 19.9626782261 -0.824580626355 -2.59301348949 TCL: atom 1: phi = 0.068953722503 TCL: Center of mass = 19.9659413495 -0.824460798429 -2.59334028726 TCL: atom 1: phi = 0.0700826069188 TCL: Center of mass = 19.9692015324 -0.824349762408 -2.59366196403 TCL: atom 1: phi = 0.0716341237766 TCL: Center of mass = 19.9724673846 -0.824238282533 -2.59398775845 TCL: atom 1: phi = 0.0728013328297 TCL: Center of mass = 19.9757340185 -0.824130039891 -2.59431602353 TCL: atom 1: phi = 0.0741645799065 TCL: Center of mass = 19.979000576 -0.824020140575 -2.59464444044 TCL: atom 1: phi = 0.0750747824818 TCL: Center of mass = 19.9822586431 -0.823912806273 -2.59496835326 TCL: atom 1: phi = 0.0761078787976 TCL: Center of mass = 19.9855100406 -0.823817651467 -2.595285099 TCL: atom 1: phi = 0.0765987484816 TCL: Center of mass = 19.9887549405 -0.823719047685 -2.59559415584 TCL: atom 1: phi = 0.0772364826417 TCL: Center of mass = 19.9920036369 -0.823619827113 -2.59590087762 TCL: atom 1: phi = 0.077384215345 TCL: Center of mass = 19.9952597069 -0.823519339777 -2.59621354587 TCL: atom 1: phi = 0.0777223300376 TCL: Center of mass = 19.9985124177 -0.823431622135 -2.59652628764 TCL: atom 1: phi = 0.077546462359 TCL: Center of mass = 20.0017743154 -0.82333203445 -2.59684883536 TCL: atom 1: phi = 0.0775246078527 TCL: Center of mass = 20.0050488059 -0.823222646183 -2.59717761729 TCL: atom 1: phi = 0.0770297460034 TCL: Center of mass = 20.0083269486 -0.823110967365 -2.59750716944 TCL: atom 1: phi = 0.0766869593058 TCL: Center of mass = 20.0116104092 -0.822988708326 -2.59785036007 TCL: atom 1: phi = 0.0758528987018 TCL: Center of mass = 20.0148948781 -0.82286552107 -2.59819285646 TCL: atom 1: phi = 0.0751820133851 TCL: Center of mass = 20.0181707608 -0.822747926518 -2.59853655302 TCL: atom 1: phi = 0.0741297077223 TCL: Center of mass = 20.0214556091 -0.822631365364 -2.59889331166 TCL: atom 1: phi = 0.0734226013039 TCL: Center of mass = 20.0247263497 -0.822516197294 -2.59924445322 TCL: atom 1: phi = 0.0725473374722 TCL: Center of mass = 20.0280141609 -0.822398362479 -2.59959486452 TCL: atom 1: phi = 0.0721525233693 TCL: Center of mass = 20.0312997454 -0.822284722352 -2.5999484403 TCL: atom 1: phi = 0.0716806510734 TCL: Center of mass = 20.0345853057 -0.822165344353 -2.60029847637 TCL: atom 1: phi = 0.0715832972051 TCL: Center of mass = 20.0378740232 -0.822049647709 -2.60064580902 TCL: atom 1: phi = 0.071291687495 TCL: Center of mass = 20.0411655846 -0.821921568047 -2.60099062412 TCL: atom 1: phi = 0.071233990318 TCL: Center of mass = 20.0444537892 -0.821788196415 -2.60132035165 TCL: atom 1: phi = 0.0707901570485 TCL: Center of mass = 20.0477430804 -0.821650936491 -2.60163476029 TCL: atom 1: phi = 0.070515828963 TCL: Center of mass = 20.0510398073 -0.821520452533 -2.60194856237 TCL: atom 1: phi = 0.0698285940663 TCL: Center of mass = 20.054334462 -0.821384000815 -2.60225719035 TCL: atom 1: phi = 0.0693419563544 TCL: Center of mass = 20.0576394431 -0.82123412386 -2.60256310809 TCL: atom 1: phi = 0.068579976766 TCL: Center of mass = 20.0609466376 -0.821080666566 -2.60286137169 TCL: atom 1: phi = 0.0681754098549 TCL: Center of mass = 20.0642445284 -0.820927728501 -2.60315930431 TCL: atom 1: phi = 0.0675491969659 TCL: Center of mass = 20.0675581076 -0.820778054777 -2.60346595516 TCL: atom 1: phi = 0.0671927517538 TCL: Center of mass = 20.0708704359 -0.820626413034 -2.60377427625 TCL: atom 1: phi = 0.0665246896624 TCL: Center of mass = 20.0741730883 -0.820482830248 -2.60408875621 TCL: atom 1: phi = 0.0660623930519 TCL: Center of mass = 20.0774639444 -0.820350150728 -2.60440135157 TCL: atom 1: phi = 0.0651872953399 TCL: Center of mass = 20.0807651617 -0.820215141085 -2.60472063754 TCL: atom 1: phi = 0.0644894135378 TCL: Center of mass = 20.0840628451 -0.820085789395 -2.60504270638 TCL: atom 1: phi = 0.0634849022738 TCL: Center of mass = 20.0873498571 -0.819964712982 -2.60537417709 TCL: atom 1: phi = 0.0627754589585 TCL: Center of mass = 20.0906307291 -0.819859494059 -2.60570090954 TCL: atom 1: phi = 0.0619138190696 TCL: Center of mass = 20.0939149874 -0.819750091732 -2.60603860928 TCL: atom 1: phi = 0.0615203992844 TCL: Center of mass = 20.0971952885 -0.819634058768 -2.60636672531 TCL: atom 1: phi = 0.0611075691358 TCL: Center of mass = 20.1004685823 -0.819509058728 -2.60671149261 TCL: atom 1: phi = 0.0611240388488 TCL: Center of mass = 20.103737757 -0.819383732743 -2.6070630487 TCL: atom 1: phi = 0.0610623696176 TCL: Center of mass = 20.1069963592 -0.819256259252 -2.60742244986 TCL: atom 1: phi = 0.0612514074815 TCL: Center of mass = 20.1102480842 -0.819120361151 -2.60778710116 TCL: atom 1: phi = 0.0611725681091 TCL: Center of mass = 20.1135143262 -0.818989280689 -2.60815485186 TCL: atom 1: phi = 0.0612187071096 TCL: Center of mass = 20.1167832089 -0.818858598783 -2.6085288894 TCL: atom 1: phi = 0.0609460786165 TCL: Center of mass = 20.1200643333 -0.818729980403 -2.60890064442 TCL: atom 1: phi = 0.0609258221596 TCL: Center of mass = 20.1233488957 -0.818605201863 -2.60927147954 TCL: atom 1: phi = 0.0607644052886 TCL: Center of mass = 20.1266227753 -0.818486624948 -2.60963729353 TCL: atom 1: phi = 0.0609348868762 TCL: Center of mass = 20.1299045304 -0.818363534302 -2.61001783711 TCL: atom 1: phi = 0.0610856069271 TCL: Center of mass = 20.1331877946 -0.81823115311 -2.61039237147 TCL: atom 1: phi = 0.0616541704774 TCL: Center of mass = 20.1364721553 -0.818089322558 -2.61077194086 TCL: atom 1: phi = 0.0621217125295 TCL: Center of mass = 20.1397558191 -0.817937931776 -2.61114445259 TCL: atom 1: phi = 0.0628424774753 TCL: Center of mass = 20.1430531809 -0.817795347636 -2.6115188124 TCL: atom 1: phi = 0.0633161127651 TCL: Center of mass = 20.1463604393 -0.81764192595 -2.61188239957 TCL: atom 1: phi = 0.0639081047117 TCL: Center of mass = 20.1496532814 -0.817485590737 -2.61225304665 TCL: atom 1: phi = 0.0641692647742 TCL: Center of mass = 20.1529487869 -0.817325885273 -2.61262169082 TCL: atom 1: phi = 0.0646438469252 TCL: Center of mass = 20.1562479472 -0.817172271605 -2.61298129333 TCL: atom 1: phi = 0.0649026140792 TCL: Center of mass = 20.1595404871 -0.817019708678 -2.61334119659 TCL: atom 1: phi = 0.0655859127872 TCL: Center of mass = 20.162820753 -0.816865481319 -2.61369428063 TCL: atom 1: phi = 0.066205744888 TCL: Center of mass = 20.1661102668 -0.816697367262 -2.61405749283 TCL: atom 1: phi = 0.0672295169573 TCL: Center of mass = 20.1694026577 -0.816531808396 -2.61441920016 TCL: atom 1: phi = 0.0681208790208 TCL: Center of mass = 20.1726897462 -0.8163680068 -2.61478168654 TCL: atom 1: phi = 0.0693215912295 TCL: Center of mass = 20.1759862044 -0.816204191346 -2.61513584393 TCL: atom 1: phi = 0.0701955525685 TCL: Center of mass = 20.1792910612 -0.816037173774 -2.61547881963 TCL: atom 1: phi = 0.0712256854396 TCL: Center of mass = 20.1825936109 -0.815869940962 -2.61581850662 TCL: atom 1: phi = 0.0718237918699 TCL: Center of mass = 20.1858850138 -0.815704510774 -2.61615309714 TCL: atom 1: phi = 0.0726034386812 TCL: Center of mass = 20.1891773767 -0.815540603582 -2.61647762049 TCL: atom 1: phi = 0.0730896171613 TCL: Center of mass = 20.1924616337 -0.815379559443 -2.61680695788 TCL: atom 1: phi = 0.0739857542733 TIMING: 7800 CPU: 1329.45, 0.172554/step Wall: 1626.43, 0.211351/step, 0.716246 hours remaining, 21690 kB of memory in use. ENERGY: 7800 379.7502 681.9079 416.9294 53.7401 -2797.0405 -215.4785 0.0000 0.0000 1142.7249 -337.4665 311.4245 -329.1722 -328.0608 306.7673 607.5947 613.3614 64000.0000 561.9626 562.4611 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 7800 WRITING COORDINATES TO DCD FILE AT STEP 7800 WRITING COORDINATES TO RESTART FILE AT STEP 7800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 7800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 20.1957476083 -0.815209113085 -2.61712742729 TCL: atom 1: phi = 0.0747215648658 TCL: Center of mass = 20.1990190586 -0.815035074871 -2.61746023549 TCL: atom 1: phi = 0.0759541699913 TCL: Center of mass = 20.2022830654 -0.814864141257 -2.61779681826 TCL: atom 1: phi = 0.0769223430396 TCL: Center of mass = 20.205561478 -0.81471182878 -2.61812952528 TCL: atom 1: phi = 0.0782719946021 TCL: Center of mass = 20.2088554594 -0.81455947769 -2.61848112968 TCL: atom 1: phi = 0.0790821237667 TCL: Center of mass = 20.2121566828 -0.814415436482 -2.61883142943 TCL: atom 1: phi = 0.0801690290117 TCL: Center of mass = 20.2154569124 -0.814272893642 -2.61917695287 TCL: atom 1: phi = 0.0806850533062 TCL: Center of mass = 20.2187601153 -0.81412043292 -2.61951895046 TCL: atom 1: phi = 0.0815029727855 TCL: Center of mass = 20.2220661388 -0.813976072354 -2.61985960191 TCL: atom 1: phi = 0.081819789786 TCL: Center of mass = 20.2253747597 -0.813825361236 -2.62020327788 TCL: atom 1: phi = 0.0825962953226 TCL: Center of mass = 20.228690862 -0.813666733026 -2.62054992694 TCL: atom 1: phi = 0.0829665528196 TCL: Center of mass = 20.2320089189 -0.813496247915 -2.62090295222 TCL: atom 1: phi = 0.0839259378987 TCL: Center of mass = 20.2353299248 -0.813318370091 -2.62125168584 TCL: atom 1: phi = 0.0845450429709 TCL: Center of mass = 20.2386333261 -0.813141561127 -2.62159998339 TCL: atom 1: phi = 0.0855982378256 TCL: Center of mass = 20.2419430862 -0.812976465273 -2.62194864349 TCL: atom 1: phi = 0.0861069167272 TCL: Center of mass = 20.2452550929 -0.812811854984 -2.62229477094 TCL: atom 1: phi = 0.0869166267922 TCL: Center of mass = 20.2485676697 -0.81266380058 -2.62263343959 TCL: atom 1: phi = 0.087036403445 TCL: Center of mass = 20.2518698358 -0.812508612346 -2.62297917016 TCL: atom 1: phi = 0.0874295990829 TCL: Center of mass = 20.2551701893 -0.812354687851 -2.62331330218 TCL: atom 1: phi = 0.087200812308 TCL: Center of mass = 20.2584752789 -0.812194792604 -2.62365163797 TCL: atom 1: phi = 0.0872843198312 TCL: Center of mass = 20.2617809724 -0.812024430717 -2.62398633297 TCL: atom 1: phi = 0.0869163769086 TCL: Center of mass = 20.2650818199 -0.811862470548 -2.62432444647 TCL: atom 1: phi = 0.0869739543069 TCL: Center of mass = 20.2683870334 -0.811695748968 -2.62465990389 TCL: atom 1: phi = 0.0866300001365 TCL: Center of mass = 20.271691929 -0.811519852549 -2.62500044278 TCL: atom 1: phi = 0.08668999058 TCL: Center of mass = 20.2749891776 -0.811344181699 -2.62534053828 TCL: atom 1: phi = 0.0862722446916 TCL: Center of mass = 20.2782772945 -0.811169766952 -2.62569594725 TCL: atom 1: phi = 0.0861502357249 TCL: Center of mass = 20.2815669196 -0.810993619347 -2.62605256697 TCL: atom 1: phi = 0.0855294198337 TCL: Center of mass = 20.2848573784 -0.810822091199 -2.62640676007 TCL: atom 1: phi = 0.0850649118309 TCL: Center of mass = 20.2881488537 -0.810639643369 -2.62675339982 TCL: atom 1: phi = 0.0841669192653 TCL: Center of mass = 20.2914312429 -0.810462565751 -2.62711258612 TCL: atom 1: phi = 0.0834896627949 TCL: Center of mass = 20.2947137359 -0.810277407848 -2.62748018461 TCL: atom 1: phi = 0.0824813830854 TCL: Center of mass = 20.2979982548 -0.810088329985 -2.62784035751 TCL: atom 1: phi = 0.0818106265117 TCL: Center of mass = 20.3012913784 -0.809901850362 -2.62821459438 TCL: atom 1: phi = 0.0809261324165 TCL: Center of mass = 20.3045841274 -0.809713383698 -2.62857728537 TCL: atom 1: phi = 0.0804327405868 TCL: Center of mass = 20.3078745763 -0.809526997663 -2.62893528886 TCL: atom 1: phi = 0.0796907409991 TCL: Center of mass = 20.3111624128 -0.809339436245 -2.62929864975 TCL: atom 1: phi = 0.0792069220635 TCL: Center of mass = 20.3144473832 -0.809153631544 -2.62967008508 TCL: atom 1: phi = 0.0784040248098 TCL: Center of mass = 20.3177292282 -0.808966353662 -2.63004071828 TCL: atom 1: phi = 0.0777384083227 TCL: Center of mass = 20.3210068999 -0.808783163841 -2.63040042647 TCL: atom 1: phi = 0.0768775892895 TCL: Center of mass = 20.3242880744 -0.808596470531 -2.63077009604 TCL: atom 1: phi = 0.0763422336556 TCL: Center of mass = 20.3275752559 -0.808407981337 -2.63113724446 TCL: atom 1: phi = 0.0757676278113 TCL: Center of mass = 20.3308598451 -0.80821423539 -2.63151774882 TCL: atom 1: phi = 0.075604586691 TCL: Center of mass = 20.3341392752 -0.808018835918 -2.63188886455 TCL: atom 1: phi = 0.0755058559893 TCL: Center of mass = 20.3374264887 -0.807813052444 -2.63224994695 TCL: atom 1: phi = 0.075817274445 TCL: Center of mass = 20.340731869 -0.807612384359 -2.63260331359 TCL: atom 1: phi = 0.0760925487215 TCL: Center of mass = 20.3440482631 -0.807409175467 -2.63294727456 TCL: atom 1: phi = 0.0765889280724 TCL: Center of mass = 20.3473663617 -0.807209705585 -2.63329659686 TCL: atom 1: phi = 0.0768822859495 TCL: Center of mass = 20.3506796444 -0.807001213638 -2.63364646204 TCL: atom 1: phi = 0.0772558913778 TCL: Center of mass = 20.3539933875 -0.806783920363 -2.6340029029 TCL: atom 1: phi = 0.0773167084174 TCL: Center of mass = 20.3573121997 -0.806576895562 -2.63435522794 TCL: atom 1: phi = 0.077509923139 TCL: Center of mass = 20.3606358228 -0.80635390166 -2.63470032479 TCL: atom 1: phi = 0.0774974760105 TCL: Center of mass = 20.363961791 -0.806143443151 -2.6350634405 TCL: atom 1: phi = 0.0776606402966 TCL: Center of mass = 20.3672924434 -0.805925553917 -2.63543179066 TCL: atom 1: phi = 0.0777032526296 TCL: Center of mass = 20.3706295552 -0.80572840004 -2.63580380493 TCL: atom 1: phi = 0.0779769140655 TCL: Center of mass = 20.3739595741 -0.805539564574 -2.63618573088 TCL: atom 1: phi = 0.0781349585383 TCL: Center of mass = 20.3772962382 -0.805352945619 -2.63655825951 TCL: atom 1: phi = 0.0784338376458 TCL: Center of mass = 20.3806338405 -0.80515703822 -2.63692921498 TCL: atom 1: phi = 0.0784908368318 TCL: Center of mass = 20.3839596343 -0.804970068469 -2.63730156852 TCL: atom 1: phi = 0.0786166897151 TCL: Center of mass = 20.3872891312 -0.804782571526 -2.63766940119 TCL: atom 1: phi = 0.0785243080308 TCL: Center of mass = 20.390625052 -0.804597869102 -2.63803678024 TCL: atom 1: phi = 0.0785818097118 TCL: Center of mass = 20.3939518755 -0.804412038845 -2.63840047306 TCL: atom 1: phi = 0.0785721115592 TCL: Center of mass = 20.3972718047 -0.804238094019 -2.6387634433 TCL: atom 1: phi = 0.078840644138 TCL: Center of mass = 20.4006054804 -0.804068244185 -2.63912578956 TCL: atom 1: phi = 0.0791820678747 TCL: Center of mass = 20.403940102 -0.803899957391 -2.63949585607 TCL: atom 1: phi = 0.0798394728174 TCL: Center of mass = 20.4072744615 -0.803736281043 -2.63986594158 TCL: atom 1: phi = 0.0805149943647 TCL: Center of mass = 20.4106165168 -0.803582447425 -2.6402408028 TCL: atom 1: phi = 0.081399611213 TCL: Center of mass = 20.4139596979 -0.803418680748 -2.64061479686 TCL: atom 1: phi = 0.0821879425689 TCL: Center of mass = 20.4173163345 -0.80326161888 -2.64097452349 TCL: atom 1: phi = 0.083015812663 TCL: Center of mass = 20.4206809602 -0.803102624111 -2.64130907573 TCL: atom 1: phi = 0.083628976204 TCL: Center of mass = 20.4240420953 -0.802947391474 -2.64163895977 TCL: atom 1: phi = 0.0842586570382 TCL: Center of mass = 20.4273985638 -0.802790576916 -2.6419699215 TCL: atom 1: phi = 0.0846613326037 TCL: Center of mass = 20.4307654333 -0.802634720901 -2.64230160188 TCL: atom 1: phi = 0.0851723416206 TCL: Center of mass = 20.4341275605 -0.802485862531 -2.64263531649 TCL: atom 1: phi = 0.0855623423182 TCL: Center of mass = 20.4374991271 -0.802336791202 -2.64296786121 TCL: atom 1: phi = 0.0861027827853 TCL: Center of mass = 20.4408757885 -0.802189892394 -2.64329487835 TCL: atom 1: phi = 0.0865228782201 TCL: Center of mass = 20.4442480338 -0.802045186635 -2.64361344451 TCL: atom 1: phi = 0.0870026313538 TCL: Center of mass = 20.4476161489 -0.801885171232 -2.64393298898 TCL: atom 1: phi = 0.0872387635895 TCL: Center of mass = 20.4509882313 -0.801724370162 -2.64424041845 TCL: atom 1: phi = 0.0874444543133 TCL: Center of mass = 20.4543690335 -0.801563728829 -2.64454405277 TCL: atom 1: phi = 0.0874573538699 TCL: Center of mass = 20.4577542351 -0.801397235816 -2.64485215736 TCL: atom 1: phi = 0.0875860048397 TCL: Center of mass = 20.4611459177 -0.801226229947 -2.64516485899 TCL: atom 1: phi = 0.0876339852457 TCL: Center of mass = 20.4645339288 -0.801053967882 -2.64547852251 TCL: atom 1: phi = 0.087958753255 TCL: Center of mass = 20.4679273275 -0.800879565141 -2.64578557333 TCL: atom 1: phi = 0.0882613587299 TCL: Center of mass = 20.4713180099 -0.800714986758 -2.64606869757 TCL: atom 1: phi = 0.0889425080982 TCL: Center of mass = 20.4747085232 -0.80055063357 -2.64635245499 TCL: atom 1: phi = 0.0896418519521 TCL: Center of mass = 20.4781079343 -0.800384071775 -2.64663068936 TCL: atom 1: phi = 0.0906244359563 TCL: Center of mass = 20.481515253 -0.800217527845 -2.64690909712 TCL: atom 1: phi = 0.0915409268288 TCL: Center of mass = 20.4849046797 -0.800053038607 -2.64718495107 TCL: atom 1: phi = 0.0925892529949 TCL: Center of mass = 20.4882890866 -0.799901731433 -2.64745943484 TCL: atom 1: phi = 0.0934208547467 TCL: Center of mass = 20.4916690998 -0.799757037174 -2.64773253725 TCL: atom 1: phi = 0.0943190413067 TCL: Center of mass = 20.4950398917 -0.79960973409 -2.64799393598 TCL: atom 1: phi = 0.0949774002381 TCL: Center of mass = 20.4984217966 -0.799455585134 -2.64824909183 TCL: atom 1: phi = 0.0957830760308 TCL: Center of mass = 20.5017995751 -0.799296039418 -2.6484974616 TCL: atom 1: phi = 0.0963336045032 TCL: Center of mass = 20.5051723463 -0.799132234724 -2.6487547695 TCL: atom 1: phi = 0.096996582018 TCL: Center of mass = 20.5085497336 -0.798967961553 -2.64900292606 TCL: atom 1: phi = 0.0974158112137 TCL: Center of mass = 20.5119324549 -0.798813745738 -2.6492417506 TCL: atom 1: phi = 0.0978765281676 TCL: Center of mass = 20.515320962 -0.798659583648 -2.64947697727 TCL: atom 1: phi = 0.0979774785634 TCL: Center of mass = 20.5187093685 -0.798520977895 -2.64970963224 TCL: atom 1: phi = 0.0980577423768 TCL: Center of mass = 20.5220935024 -0.798376813626 -2.64994118393 TCL: atom 1: phi = 0.0977039758039 TCL: Center of mass = 20.5254730914 -0.798234591827 -2.6501767447 TCL: atom 1: phi = 0.0973415729629 TIMING: 7900 CPU: 1346.89, 0.174403/step Wall: 1647.56, 0.211303/step, 0.710212 hours remaining, 21704 kB of memory in use. ENERGY: 7900 420.2699 669.3515 403.6770 44.1581 -2785.0563 -210.0866 0.0000 0.0000 1118.8503 -338.8361 304.9180 -330.0088 -331.0189 311.3239 131.7363 150.2349 64000.0000 562.6379 560.6243 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 = 20.528851987 -0.798091325654 -2.65041620687 TCL: atom 1: phi = 0.0966037960217 TCL: Center of mass = 20.5322277596 -0.797936492013 -2.65065225897 TCL: atom 1: phi = 0.0960361152493 TCL: Center of mass = 20.5356073214 -0.797773642751 -2.65088778947 TCL: atom 1: phi = 0.0953106319326 TCL: Center of mass = 20.5389910122 -0.797618718083 -2.65111811112 TCL: atom 1: phi = 0.0948855215978 TCL: Center of mass = 20.5423708678 -0.797472150104 -2.65135624663 TCL: atom 1: phi = 0.094301343769 TCL: Center of mass = 20.5457559622 -0.797315374584 -2.65158942549 TCL: atom 1: phi = 0.0939551606222 TCL: Center of mass = 20.5491498541 -0.797153241903 -2.65182304905 TCL: atom 1: phi = 0.0934867882841 TCL: Center of mass = 20.5525416577 -0.796994513217 -2.65206387255 TCL: atom 1: phi = 0.0931965630231 TCL: Center of mass = 20.5559357399 -0.796843215229 -2.65229948652 TCL: atom 1: phi = 0.0926937232538 TCL: Center of mass = 20.5593417478 -0.79669411745 -2.65252280315 TCL: atom 1: phi = 0.0923599886609 TCL: Center of mass = 20.5627495784 -0.796546114007 -2.65274140382 TCL: atom 1: phi = 0.0917853366828 TCL: Center of mass = 20.5661765905 -0.796406711302 -2.65295594606 TCL: atom 1: phi = 0.0914128204054 TCL: Center of mass = 20.5695989075 -0.796275988059 -2.65317760025 TCL: atom 1: phi = 0.0908413755178 TCL: Center of mass = 20.5730288724 -0.796155516861 -2.65341050505 TCL: atom 1: phi = 0.0905529566127 TCL: Center of mass = 20.5764588268 -0.796040544764 -2.65363645769 TCL: atom 1: phi = 0.0901271604712 TCL: Center of mass = 20.5798969675 -0.79592645753 -2.65385847111 TCL: atom 1: phi = 0.0898793960057 TCL: Center of mass = 20.5833512873 -0.795818886261 -2.65408462936 TCL: atom 1: phi = 0.0894550033167 TCL: Center of mass = 20.5868086523 -0.795717281453 -2.65430236132 TCL: atom 1: phi = 0.0892007582395 TCL: Center of mass = 20.5902562304 -0.795605638492 -2.65452038434 TCL: atom 1: phi = 0.0887164779155 TCL: Center of mass = 20.5937111084 -0.795485819625 -2.65475162193 TCL: atom 1: phi = 0.0884579174655 TCL: Center of mass = 20.5971602054 -0.795369062954 -2.65499435983 TCL: atom 1: phi = 0.0880324042004 TCL: Center of mass = 20.6006110748 -0.795262883147 -2.65524176609 TCL: atom 1: phi = 0.0879185271637 TCL: Center of mass = 20.6040673309 -0.795157279978 -2.65548639231 TCL: atom 1: phi = 0.0877278347081 TCL: Center of mass = 20.6075212706 -0.795046144192 -2.65574513519 TCL: atom 1: phi = 0.0878761112607 TCL: Center of mass = 20.6109793921 -0.794936600358 -2.65601716794 TCL: atom 1: phi = 0.0879982373737 TCL: Center of mass = 20.6144313388 -0.794833069373 -2.65629058811 TCL: atom 1: phi = 0.088418525848 TCL: Center of mass = 20.617869049 -0.794728590756 -2.65656830882 TCL: atom 1: phi = 0.0886938708531 TCL: Center of mass = 20.6213044993 -0.794622484746 -2.65684633561 TCL: atom 1: phi = 0.0892396018569 TCL: Center of mass = 20.6247351235 -0.794511170729 -2.65712712325 TCL: atom 1: phi = 0.089543450714 TCL: Center of mass = 20.6281680748 -0.794404209648 -2.65741281091 TCL: atom 1: phi = 0.0900767036884 TCL: Center of mass = 20.6316141095 -0.794297363656 -2.65770053136 TCL: atom 1: phi = 0.090339957009 TCL: Center of mass = 20.6350559528 -0.79420109654 -2.65798339375 TCL: atom 1: phi = 0.0907649436102 TCL: Center of mass = 20.6385043563 -0.794098515568 -2.65827058566 TCL: atom 1: phi = 0.0909431487158 TCL: Center of mass = 20.6419633553 -0.793988852392 -2.65855756239 TCL: atom 1: phi = 0.0913261807318 TCL: Center of mass = 20.6454312729 -0.793877889687 -2.65883554258 TCL: atom 1: phi = 0.0913800358369 TCL: Center of mass = 20.6489013622 -0.793774516981 -2.65910219656 TCL: atom 1: phi = 0.0916233647501 TCL: Center of mass = 20.6523685295 -0.793669531526 -2.65935397219 TCL: atom 1: phi = 0.0914174521051 TCL: Center of mass = 20.6558411073 -0.793578652455 -2.65959987033 TCL: atom 1: phi = 0.0912668959911 TCL: Center of mass = 20.6593045238 -0.793482967182 -2.65984982991 TCL: atom 1: phi = 0.0906221486446 TCL: Center of mass = 20.6627657677 -0.793378028344 -2.66009510654 TCL: atom 1: phi = 0.0900035355654 TCL: Center of mass = 20.6662218002 -0.793282836863 -2.66034469754 TCL: atom 1: phi = 0.0889561839741 TCL: Center of mass = 20.6696727497 -0.793195528741 -2.660595855 TCL: atom 1: phi = 0.088108118125 TCL: Center of mass = 20.6731157303 -0.793102771164 -2.6608522596 TCL: atom 1: phi = 0.0869543429206 TCL: Center of mass = 20.6765670339 -0.793010029164 -2.66110419331 TCL: atom 1: phi = 0.0861125556519 TCL: Center of mass = 20.6800092507 -0.792915042328 -2.66134874601 TCL: atom 1: phi = 0.0850190236275 TCL: Center of mass = 20.6834482098 -0.79280044455 -2.66159291563 TCL: atom 1: phi = 0.0842132228763 TCL: Center of mass = 20.6868825248 -0.792684876061 -2.661839036 TCL: atom 1: phi = 0.0831885514529 TCL: Center of mass = 20.6903293037 -0.792560409545 -2.66207249818 TCL: atom 1: phi = 0.0824624675864 TCL: Center of mass = 20.6937764184 -0.792441890125 -2.66229818602 TCL: atom 1: phi = 0.0814624576808 TCL: Center of mass = 20.6972264285 -0.79232909073 -2.66250784891 TCL: atom 1: phi = 0.0808172969695 TCL: Center of mass = 20.7006809236 -0.792227760682 -2.66271792246 TCL: atom 1: phi = 0.0799126153824 TCL: Center of mass = 20.7041399393 -0.79212259297 -2.66291803343 TCL: atom 1: phi = 0.0793098641968 TCL: Center of mass = 20.7075898117 -0.792001293439 -2.66311696733 TCL: atom 1: phi = 0.0784382490959 TCL: Center of mass = 20.7110557369 -0.791886516185 -2.66332259828 TCL: atom 1: phi = 0.0778966087866 TCL: Center of mass = 20.7145224801 -0.791772500071 -2.66353209246 TCL: atom 1: phi = 0.0771669675456 TCL: Center of mass = 20.717975176 -0.791662058037 -2.66373738927 TCL: atom 1: phi = 0.0768418693449 TCL: Center of mass = 20.7214372306 -0.791557729467 -2.66393070948 TCL: atom 1: phi = 0.0762694967458 TCL: Center of mass = 20.7248893442 -0.791451452677 -2.66414145425 TCL: atom 1: phi = 0.0760634711839 TCL: Center of mass = 20.7283539802 -0.791345574131 -2.66436796444 TCL: atom 1: phi = 0.0755813465601 TCL: Center of mass = 20.7318069787 -0.791240969581 -2.66458517036 TCL: atom 1: phi = 0.0754027109942 TCL: Center of mass = 20.735263905 -0.791135818489 -2.66479415404 TCL: atom 1: phi = 0.0749332972523 TCL: Center of mass = 20.7387236817 -0.791019802233 -2.66500759559 TCL: atom 1: phi = 0.0748715874545 TCL: Center of mass = 20.7421846754 -0.790901640392 -2.66523020582 TCL: atom 1: phi = 0.0746213658516 TCL: Center of mass = 20.7456579664 -0.790778860623 -2.6654503343 TCL: atom 1: phi = 0.0748409622575 TCL: Center of mass = 20.7491378282 -0.79065448378 -2.66566914545 TCL: atom 1: phi = 0.0748393404868 TCL: Center of mass = 20.7526273325 -0.790534196844 -2.66587649872 TCL: atom 1: phi = 0.0752488482803 TCL: Center of mass = 20.756126807 -0.790406129875 -2.66608249674 TCL: atom 1: phi = 0.0752734235874 TCL: Center of mass = 20.7596233375 -0.790283335474 -2.66629796529 TCL: atom 1: phi = 0.0755752694874 TCL: Center of mass = 20.7631132391 -0.790160849514 -2.66653206844 TCL: atom 1: phi = 0.0754036860417 TCL: Center of mass = 20.7665985775 -0.790044586243 -2.66677098726 TCL: atom 1: phi = 0.0755248834134 TCL: Center of mass = 20.7700825854 -0.789928429158 -2.66700915707 TCL: atom 1: phi = 0.0752127103988 TCL: Center of mass = 20.773576574 -0.789818379748 -2.66724493501 TCL: atom 1: phi = 0.0752030125803 TCL: Center of mass = 20.777066947 -0.789711958094 -2.6674698603 TCL: atom 1: phi = 0.0747712033932 TCL: Center of mass = 20.780560289 -0.789603328164 -2.66769256285 TCL: atom 1: phi = 0.0746812813772 TCL: Center of mass = 20.784064376 -0.789498850245 -2.66793005198 TCL: atom 1: phi = 0.0742011416933 TCL: Center of mass = 20.7875699729 -0.78938754787 -2.66816906902 TCL: atom 1: phi = 0.0740133875498 TCL: Center of mass = 20.7910738921 -0.789286830048 -2.66840148373 TCL: atom 1: phi = 0.073342288263 TCL: Center of mass = 20.7945705316 -0.78919109952 -2.66864224015 TCL: atom 1: phi = 0.0729190983376 TCL: Center of mass = 20.7980692066 -0.789097420048 -2.66887881461 TCL: atom 1: phi = 0.0720652218917 TCL: Center of mass = 20.8015502181 -0.788996979055 -2.66910136203 TCL: atom 1: phi = 0.0714636750511 TCL: Center of mass = 20.8050366296 -0.788890865444 -2.66933190943 TCL: atom 1: phi = 0.0704788513003 TCL: Center of mass = 20.8085196748 -0.788787041021 -2.66955785737 TCL: atom 1: phi = 0.0698839708992 TCL: Center of mass = 20.8120052464 -0.788687076801 -2.6697950382 TCL: atom 1: phi = 0.0691053172086 TCL: Center of mass = 20.8154885992 -0.788576167406 -2.67003056275 TCL: atom 1: phi = 0.0687745031386 TCL: Center of mass = 20.818972275 -0.788472948923 -2.67025608247 TCL: atom 1: phi = 0.0683484715222 TCL: Center of mass = 20.8224524269 -0.788371598727 -2.67047914916 TCL: atom 1: phi = 0.0683821186326 TCL: Center of mass = 20.8259463601 -0.788267051381 -2.67069256427 TCL: atom 1: phi = 0.0681790807957 TCL: Center of mass = 20.8294298512 -0.788167136337 -2.67090337189 TCL: atom 1: phi = 0.0683556653677 TCL: Center of mass = 20.83291634 -0.788068283214 -2.67111543779 TCL: atom 1: phi = 0.0682533994639 TCL: Center of mass = 20.8363990605 -0.787965893381 -2.67132394382 TCL: atom 1: phi = 0.0685181492279 TCL: Center of mass = 20.8398923341 -0.787855562773 -2.67154419202 TCL: atom 1: phi = 0.0684522963947 TCL: Center of mass = 20.8433801962 -0.787747080897 -2.67176441464 TCL: atom 1: phi = 0.0687712326601 TCL: Center of mass = 20.8468698008 -0.787642528667 -2.67197217054 TCL: atom 1: phi = 0.0687410230971 TCL: Center of mass = 20.850350576 -0.787529617547 -2.67217168486 TCL: atom 1: phi = 0.0690452771177 TCL: Center of mass = 20.8538203861 -0.787413198535 -2.6723742339 TCL: atom 1: phi = 0.068983937912 TCL: Center of mass = 20.8572937235 -0.787302026612 -2.67257374618 TCL: atom 1: phi = 0.0691652022832 TCL: Center of mass = 20.8607597165 -0.787203097576 -2.67278439061 TCL: atom 1: phi = 0.0688229271081 TCL: Center of mass = 20.8642057423 -0.787086292644 -2.6729925547 TCL: atom 1: phi = 0.0686910786782 TCL: Center of mass = 20.8676634256 -0.786974745558 -2.67320142806 TCL: atom 1: phi = 0.0680636143768 TCL: Center of mass = 20.8711105505 -0.786868460439 -2.67341423396 TCL: atom 1: phi = 0.0676932023767 TIMING: 8000 CPU: 1364.14, 0.172504/step Wall: 1668.68, 0.211212/step, 0.704042 hours remaining, 21752 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 410.5742 644.5089 410.9025 51.2130 -2787.8630 -210.2322 0.0000 0.0000 1152.1942 -328.7023 314.0051 -319.8757 -320.7113 312.0209 349.2340 546.8020 64000.0000 702.0237 711.1757 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8000 WRITING COORDINATES TO DCD FILE AT STEP 8000 WRITING COORDINATES TO RESTART FILE AT STEP 8000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 20.8745472314 -0.786766195498 -2.67362945775 TCL: atom 1: phi = 0.0669379406465 TCL: Center of mass = 20.8779877464 -0.786676856316 -2.67384754195 TCL: atom 1: phi = 0.0665183908629 TCL: Center of mass = 20.8814168449 -0.786594776484 -2.67406895234 TCL: atom 1: phi = 0.0658133411007 TCL: Center of mass = 20.8848460431 -0.786514211458 -2.67430485585 TCL: atom 1: phi = 0.0655300491816 TCL: Center of mass = 20.8882764682 -0.786442362264 -2.67453736944 TCL: atom 1: phi = 0.0650416332075 TCL: Center of mass = 20.8917086411 -0.786375977707 -2.67476712402 TCL: atom 1: phi = 0.065008423014 TCL: Center of mass = 20.8951415014 -0.786309942018 -2.67499220232 TCL: atom 1: phi = 0.0647147335838 TCL: Center of mass = 20.8985699415 -0.786243094706 -2.67522443956 TCL: atom 1: phi = 0.0647983570051 TCL: Center of mass = 20.9019958092 -0.786174118517 -2.67545182505 TCL: atom 1: phi = 0.0645452403619 TCL: Center of mass = 20.9054280733 -0.78609750128 -2.67566685986 TCL: atom 1: phi = 0.0646353183125 TCL: Center of mass = 20.908848097 -0.786006922376 -2.67587904499 TCL: atom 1: phi = 0.0644579102219 TCL: Center of mass = 20.9122696407 -0.785925037629 -2.67609632656 TCL: atom 1: phi = 0.0645958880544 TCL: Center of mass = 20.9156870985 -0.785857315323 -2.676310636 TCL: atom 1: phi = 0.06445278125 TCL: Center of mass = 20.9191114861 -0.785798235046 -2.6765232714 TCL: atom 1: phi = 0.0646186235286 TCL: Center of mass = 20.92253156 -0.785742521844 -2.67674028714 TCL: atom 1: phi = 0.0644566449589 TCL: Center of mass = 20.9259611259 -0.785679346489 -2.6769562857 TCL: atom 1: phi = 0.0645756210874 TCL: Center of mass = 20.929390771 -0.785626517165 -2.67718568041 TCL: atom 1: phi = 0.0644030501698 TCL: Center of mass = 20.9328091841 -0.785563130404 -2.67740696666 TCL: atom 1: phi = 0.0645331115879 TCL: Center of mass = 20.9362243083 -0.785486788459 -2.67763089117 TCL: atom 1: phi = 0.0643732031661 TCL: Center of mass = 20.9396513544 -0.785404596708 -2.67785096922 TCL: atom 1: phi = 0.0644914457768 TCL: Center of mass = 20.943070572 -0.785322949992 -2.67806480572 TCL: atom 1: phi = 0.0643963893814 TCL: Center of mass = 20.9464907937 -0.785240160185 -2.6782683043 TCL: atom 1: phi = 0.0646657797616 TCL: Center of mass = 20.9499105497 -0.78516062331 -2.67847318014 TCL: atom 1: phi = 0.0648307916289 TCL: Center of mass = 20.9533260943 -0.78508133779 -2.67868503022 TCL: atom 1: phi = 0.0654423486348 TCL: Center of mass = 20.9567422803 -0.785014229031 -2.6788970659 TCL: atom 1: phi = 0.0659395673439 TCL: Center of mass = 20.9601731135 -0.78493911546 -2.67909967677 TCL: atom 1: phi = 0.0669036590777 TCL: Center of mass = 20.9636043985 -0.784866283871 -2.67929937202 TCL: atom 1: phi = 0.0677656051848 TCL: Center of mass = 20.9670438987 -0.784798138669 -2.67949903477 TCL: atom 1: phi = 0.0690007942157 TCL: Center of mass = 20.9704946826 -0.784724851636 -2.67971265257 TCL: atom 1: phi = 0.069925021343 TCL: Center of mass = 20.9739445799 -0.784652226598 -2.67993316015 TCL: atom 1: phi = 0.0711086248258 TCL: Center of mass = 20.9773966342 -0.784575231926 -2.68014378967 TCL: atom 1: phi = 0.0720159147385 TCL: Center of mass = 20.9808456837 -0.78450306417 -2.68036123686 TCL: atom 1: phi = 0.0732151696266 TCL: Center of mass = 20.984290109 -0.784436078711 -2.68057467935 TCL: atom 1: phi = 0.0741825053161 TCL: Center of mass = 20.987734183 -0.784370265631 -2.68078462653 TCL: atom 1: phi = 0.0753903277118 TCL: Center of mass = 20.9911689594 -0.78430373211 -2.681000215 TCL: atom 1: phi = 0.0762745076314 TCL: Center of mass = 20.9945950344 -0.784236854088 -2.68122656693 TCL: atom 1: phi = 0.0774337936712 TCL: Center of mass = 20.9980147286 -0.784164946386 -2.68146217214 TCL: atom 1: phi = 0.0782129869376 TCL: Center of mass = 21.0014269321 -0.784086061093 -2.68169127633 TCL: atom 1: phi = 0.0791786725795 TCL: Center of mass = 21.0048322309 -0.783999983679 -2.68192949558 TCL: atom 1: phi = 0.0797286312019 TCL: Center of mass = 21.0082392963 -0.783913479304 -2.68215435428 TCL: atom 1: phi = 0.0804447563507 TCL: Center of mass = 21.0116426182 -0.783819713873 -2.68237645125 TCL: atom 1: phi = 0.0806951503558 TCL: Center of mass = 21.0150369091 -0.783724608782 -2.68259929654 TCL: atom 1: phi = 0.0811450959405 TCL: Center of mass = 21.0184228976 -0.783622390216 -2.68280483746 TCL: atom 1: phi = 0.0811902190054 TCL: Center of mass = 21.0217970343 -0.78352410724 -2.68301226961 TCL: atom 1: phi = 0.0815609235095 TCL: Center of mass = 21.0251679122 -0.783424039987 -2.68321311523 TCL: atom 1: phi = 0.0816176749554 TCL: Center of mass = 21.0285431634 -0.78333216668 -2.68340616936 TCL: atom 1: phi = 0.0820595356541 TCL: Center of mass = 21.0319264814 -0.78323899612 -2.68360587132 TCL: atom 1: phi = 0.0823054799547 TCL: Center of mass = 21.0353358607 -0.783148622568 -2.68381496863 TCL: atom 1: phi = 0.082886731795 TCL: Center of mass = 21.0387436889 -0.783058451829 -2.68402065423 TCL: atom 1: phi = 0.0831265594858 TCL: Center of mass = 21.0421516152 -0.7829697344 -2.68422346274 TCL: atom 1: phi = 0.0836230918863 TCL: Center of mass = 21.0455622576 -0.782878151502 -2.68442778424 TCL: atom 1: phi = 0.0837934990283 TCL: Center of mass = 21.0489586434 -0.782796445723 -2.68463031118 TCL: atom 1: phi = 0.0842493168231 TCL: Center of mass = 21.0523687407 -0.782719472125 -2.68483747648 TCL: atom 1: phi = 0.0843218931767 TCL: Center of mass = 21.0557708191 -0.782650689092 -2.68503983324 TCL: atom 1: phi = 0.0846441483116 TCL: Center of mass = 21.0591758084 -0.782573610928 -2.68524165648 TCL: atom 1: phi = 0.0847155412717 TCL: Center of mass = 21.0625660009 -0.782494502507 -2.68543284688 TCL: atom 1: phi = 0.0850638636503 TCL: Center of mass = 21.0659457791 -0.782429625535 -2.68561718718 TCL: atom 1: phi = 0.0850814762271 TCL: Center of mass = 21.0693331738 -0.782364408934 -2.68578724497 TCL: atom 1: phi = 0.0852934532341 TCL: Center of mass = 21.0727191032 -0.782305486392 -2.68596076936 TCL: atom 1: phi = 0.085136704857 TCL: Center of mass = 21.0761019331 -0.782247146232 -2.68613360895 TCL: atom 1: phi = 0.0851762540159 TCL: Center of mass = 21.0794705494 -0.782184951166 -2.68630799579 TCL: atom 1: phi = 0.084922027266 TCL: Center of mass = 21.0828337032 -0.782132624777 -2.68648018831 TCL: atom 1: phi = 0.0848345482507 TCL: Center of mass = 21.0862052713 -0.782074652003 -2.68665671025 TCL: atom 1: phi = 0.084486097422 TCL: Center of mass = 21.0895832196 -0.782011856248 -2.68683119521 TCL: atom 1: phi = 0.0844390587661 TCL: Center of mass = 21.0929538403 -0.781938774785 -2.68698531167 TCL: atom 1: phi = 0.0842313158109 TCL: Center of mass = 21.0963223162 -0.781877705399 -2.68713927321 TCL: atom 1: phi = 0.0843111188797 TCL: Center of mass = 21.0996866356 -0.781822885158 -2.68728514432 TCL: atom 1: phi = 0.0842130133526 TCL: Center of mass = 21.1030475825 -0.781769299194 -2.68741200125 TCL: atom 1: phi = 0.0843232539782 TCL: Center of mass = 21.1063969655 -0.781719502497 -2.68753689095 TCL: atom 1: phi = 0.0842087592115 TCL: Center of mass = 21.1097407921 -0.781663486419 -2.68764985833 TCL: atom 1: phi = 0.0842421450768 TCL: Center of mass = 21.1130907412 -0.781601595633 -2.68775177821 TCL: atom 1: phi = 0.0839734820327 TCL: Center of mass = 21.1164514196 -0.781546653501 -2.68786015887 TCL: atom 1: phi = 0.083808291684 TCL: Center of mass = 21.1198144728 -0.781489632538 -2.68798793447 TCL: atom 1: phi = 0.0834082263868 TCL: Center of mass = 21.1231833266 -0.78143746667 -2.6881125288 TCL: atom 1: phi = 0.0831006158467 TCL: Center of mass = 21.1265479295 -0.781384442407 -2.68822476315 TCL: atom 1: phi = 0.0824983734492 TCL: Center of mass = 21.1299168938 -0.781338803296 -2.68833545602 TCL: atom 1: phi = 0.0820512215074 TCL: Center of mass = 21.1332884669 -0.78129006616 -2.68844926406 TCL: atom 1: phi = 0.0814145137215 TCL: Center of mass = 21.1366600168 -0.781240552019 -2.68856056256 TCL: atom 1: phi = 0.0809946007982 TCL: Center of mass = 21.1400306539 -0.781192381704 -2.68867952124 TCL: atom 1: phi = 0.0804434646416 TCL: Center of mass = 21.1433994728 -0.781150708115 -2.68880510746 TCL: atom 1: phi = 0.0800613540753 TCL: Center of mass = 21.1467705105 -0.781113775724 -2.68892451908 TCL: atom 1: phi = 0.0794700060099 TCL: Center of mass = 21.1501343443 -0.781086156703 -2.6890374266 TCL: atom 1: phi = 0.0790125770738 TCL: Center of mass = 21.1534840485 -0.781065563566 -2.68916011912 TCL: atom 1: phi = 0.0784024134531 TCL: Center of mass = 21.156842933 -0.781054473182 -2.6892736437 TCL: atom 1: phi = 0.0780284238525 TCL: Center of mass = 21.1602090364 -0.781060724413 -2.68938320421 TCL: atom 1: phi = 0.077588231133 TCL: Center of mass = 21.1635717629 -0.781069940219 -2.68950227224 TCL: atom 1: phi = 0.0774706332332 TCL: Center of mass = 21.1669386467 -0.781067253035 -2.68961878863 TCL: atom 1: phi = 0.077344223418 TCL: Center of mass = 21.1703011935 -0.781059733459 -2.68973683683 TCL: atom 1: phi = 0.0776038726903 TCL: Center of mass = 21.1736650241 -0.781036918181 -2.68984666662 TCL: atom 1: phi = 0.0777677541105 TCL: Center of mass = 21.177029315 -0.781012263641 -2.68996612547 TCL: atom 1: phi = 0.078196389519 TCL: Center of mass = 21.1803797347 -0.780993095427 -2.69009009738 TCL: atom 1: phi = 0.0783299815321 TCL: Center of mass = 21.1837354415 -0.780973861095 -2.69020548992 TCL: atom 1: phi = 0.0786140081016 TCL: Center of mass = 21.1870982886 -0.780952536812 -2.6903268393 TCL: atom 1: phi = 0.0785452754555 TCL: Center of mass = 21.1904679184 -0.780932763481 -2.69045814203 TCL: atom 1: phi = 0.0786279992826 TCL: Center of mass = 21.1938459809 -0.780920606818 -2.69058901459 TCL: atom 1: phi = 0.0784362488292 TCL: Center of mass = 21.1972241594 -0.78091237072 -2.69072565522 TCL: atom 1: phi = 0.0784271518733 TCL: Center of mass = 21.2006055149 -0.78089278558 -2.69085661632 TCL: atom 1: phi = 0.0781274217733 TCL: Center of mass = 21.2039827132 -0.78087200605 -2.69098843632 TCL: atom 1: phi = 0.0779601081588 TCL: Center of mass = 21.207357857 -0.780848239799 -2.69111279603 TCL: atom 1: phi = 0.0775726852474 TCL: Center of mass = 21.2107364018 -0.780829059343 -2.69123341001 TCL: atom 1: phi = 0.077318066152 TIMING: 8100 CPU: 1381.37, 0.172264/step Wall: 1689.78, 0.211012/step, 0.697513 hours remaining, 21752 kB of memory in use. ENERGY: 8100 394.3206 684.0962 418.8984 52.2782 -2761.2609 -235.0978 0.0000 0.0000 1114.8258 -331.9395 303.8212 -323.1804 -324.0520 310.4596 55.1226 308.4464 64000.0000 472.9569 463.5072 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8100 WRITING COORDINATES TO DCD FILE AT STEP 8100 WRITING COORDINATES TO RESTART FILE AT STEP 8100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 21.2141180538 -0.780821022239 -2.6913502655 TCL: atom 1: phi = 0.0766765154512 TCL: Center of mass = 21.2174984006 -0.780812826887 -2.6914662863 TCL: atom 1: phi = 0.0761856144305 TCL: Center of mass = 21.2208811541 -0.780809439309 -2.69158511224 TCL: atom 1: phi = 0.0753913563737 TCL: Center of mass = 21.2242790848 -0.780802454529 -2.6917040587 TCL: atom 1: phi = 0.0747670094251 TCL: Center of mass = 21.2276807361 -0.780793021756 -2.6918282838 TCL: atom 1: phi = 0.0740474370173 TCL: Center of mass = 21.2310724008 -0.780784690372 -2.69195127302 TCL: atom 1: phi = 0.0735978608812 TCL: Center of mass = 21.2344750701 -0.780771113643 -2.69208194851 TCL: atom 1: phi = 0.073120390524 TCL: Center of mass = 21.2378768927 -0.780759342734 -2.69221383709 TCL: atom 1: phi = 0.0729699241593 TCL: Center of mass = 21.2412834939 -0.780739991052 -2.69234928917 TCL: atom 1: phi = 0.072777673266 TCL: Center of mass = 21.2446918617 -0.780725503625 -2.6924751038 TCL: atom 1: phi = 0.0728626212951 TCL: Center of mass = 21.2480975663 -0.780705998675 -2.69259724665 TCL: atom 1: phi = 0.0728112191607 TCL: Center of mass = 21.2515015832 -0.780676699638 -2.6927057677 TCL: atom 1: phi = 0.0729436719958 TCL: Center of mass = 21.254905925 -0.78065119929 -2.69279788235 TCL: atom 1: phi = 0.0729103579476 TCL: Center of mass = 21.2583077518 -0.780620556703 -2.69290186994 TCL: atom 1: phi = 0.0729550813562 TCL: Center of mass = 21.2617062083 -0.7805933508 -2.69300181009 TCL: atom 1: phi = 0.0728462248504 TCL: Center of mass = 21.2651015481 -0.780564113122 -2.69310772034 TCL: atom 1: phi = 0.0729441050016 TCL: Center of mass = 21.2685054047 -0.780535231754 -2.69322023686 TCL: atom 1: phi = 0.0729992801749 TCL: Center of mass = 21.2719242623 -0.780497546709 -2.69333182678 TCL: atom 1: phi = 0.0732903227819 TCL: Center of mass = 21.2753395634 -0.780450781279 -2.69343731973 TCL: atom 1: phi = 0.0735013117679 TCL: Center of mass = 21.2787510267 -0.780401503978 -2.69354396645 TCL: atom 1: phi = 0.073886582483 TCL: Center of mass = 21.2821608808 -0.780341476598 -2.69365533126 TCL: atom 1: phi = 0.0740972866865 TCL: Center of mass = 21.285563635 -0.780272893847 -2.69376191937 TCL: atom 1: phi = 0.0743859105502 TCL: Center of mass = 21.2889677888 -0.780193996386 -2.69387123584 TCL: atom 1: phi = 0.0744463059899 TCL: Center of mass = 21.2923696359 -0.780113552101 -2.69398179588 TCL: atom 1: phi = 0.0746132976735 TCL: Center of mass = 21.2957757689 -0.780045636424 -2.69408979207 TCL: atom 1: phi = 0.0746107255694 TCL: Center of mass = 21.2991806024 -0.780002186565 -2.69418790963 TCL: atom 1: phi = 0.0748754960989 TCL: Center of mass = 21.3025822286 -0.779963182014 -2.69428888915 TCL: atom 1: phi = 0.0751169681379 TCL: Center of mass = 21.3059863306 -0.779922904339 -2.69438842196 TCL: atom 1: phi = 0.0756799330733 TCL: Center of mass = 21.3093848788 -0.779888848311 -2.69449004824 TCL: atom 1: phi = 0.0762197275651 TCL: Center of mass = 21.312778186 -0.77984698134 -2.69459312695 TCL: atom 1: phi = 0.0769454343801 TCL: Center of mass = 21.3161505455 -0.779811193254 -2.69470598438 TCL: atom 1: phi = 0.0774632952127 TCL: Center of mass = 21.3195245486 -0.779776020244 -2.69482930301 TCL: atom 1: phi = 0.0780778746489 TCL: Center of mass = 21.3229066263 -0.779744673178 -2.6949329048 TCL: atom 1: phi = 0.0783330358859 TCL: Center of mass = 21.3262865205 -0.779709575134 -2.69503933875 TCL: atom 1: phi = 0.0786257299781 TCL: Center of mass = 21.3296726675 -0.779681958487 -2.69512843877 TCL: atom 1: phi = 0.0785520146796 TCL: Center of mass = 21.3330541879 -0.779661497997 -2.69522042716 TCL: atom 1: phi = 0.078563943475 TCL: Center of mass = 21.336440585 -0.779649212383 -2.69531580703 TCL: atom 1: phi = 0.0783152398815 TCL: Center of mass = 21.3398246539 -0.779623380976 -2.6954074576 TCL: atom 1: phi = 0.0782481600309 TCL: Center of mass = 21.3432045006 -0.779599008303 -2.69549510165 TCL: atom 1: phi = 0.0779321905751 TCL: Center of mass = 21.3465957045 -0.779583304678 -2.69558534467 TCL: atom 1: phi = 0.0777346849081 TCL: Center of mass = 21.3499861429 -0.779565775977 -2.69567262168 TCL: atom 1: phi = 0.0772437438044 TCL: Center of mass = 21.3533760093 -0.779557558638 -2.69575611788 TCL: atom 1: phi = 0.0769230806378 TCL: Center of mass = 21.3567697913 -0.779547459709 -2.69584129367 TCL: atom 1: phi = 0.0762793810505 TCL: Center of mass = 21.3601482152 -0.779536560262 -2.69592625671 TCL: atom 1: phi = 0.0757633285553 TCL: Center of mass = 21.3635301738 -0.779524437852 -2.6960032295 TCL: atom 1: phi = 0.075037802524 TCL: Center of mass = 21.3669128471 -0.779508619693 -2.69607213562 TCL: atom 1: phi = 0.0746055352416 TCL: Center of mass = 21.3702938537 -0.77948214505 -2.69613187408 TCL: atom 1: phi = 0.0741040490326 TCL: Center of mass = 21.3736825166 -0.779451262034 -2.69618435519 TCL: atom 1: phi = 0.0740169831892 TCL: Center of mass = 21.3770646373 -0.779419772425 -2.69623969354 TCL: atom 1: phi = 0.0739206620897 TCL: Center of mass = 21.3804473135 -0.779392832459 -2.69628627099 TCL: atom 1: phi = 0.0742055617642 TCL: Center of mass = 21.3838265775 -0.779359202927 -2.69633814732 TCL: atom 1: phi = 0.0743493764847 TCL: Center of mass = 21.3871924795 -0.779309548861 -2.69638380131 TCL: atom 1: phi = 0.0747630134357 TCL: Center of mass = 21.3905603916 -0.779254466205 -2.69642896321 TCL: atom 1: phi = 0.0749260130906 TCL: Center of mass = 21.3939310103 -0.779216325699 -2.69648151147 TCL: atom 1: phi = 0.0752057279168 TCL: Center of mass = 21.3973093271 -0.779182463882 -2.69654602017 TCL: atom 1: phi = 0.0751258539931 TCL: Center of mass = 21.4006897374 -0.779156429132 -2.69660714168 TCL: atom 1: phi = 0.0752173575231 TCL: Center of mass = 21.4040654513 -0.779124789982 -2.69666708771 TCL: atom 1: phi = 0.075010761402 TCL: Center of mass = 21.4074463386 -0.77910145227 -2.69673655325 TCL: atom 1: phi = 0.0750125840155 TCL: Center of mass = 21.4108305069 -0.779089139476 -2.69680138184 TCL: atom 1: phi = 0.0747552211832 TCL: Center of mass = 21.4142177905 -0.779073523041 -2.69685620128 TCL: atom 1: phi = 0.0746769084162 TCL: Center of mass = 21.4176107064 -0.779071824035 -2.69691208051 TCL: atom 1: phi = 0.0742934466125 TCL: Center of mass = 21.4210123898 -0.779065527603 -2.69697568762 TCL: atom 1: phi = 0.074017812712 TCL: Center of mass = 21.4244157635 -0.779056397685 -2.69702671207 TCL: atom 1: phi = 0.0733870217001 TCL: Center of mass = 21.4278374833 -0.779052641154 -2.69707551666 TCL: atom 1: phi = 0.0728631300632 TCL: Center of mass = 21.431255169 -0.7790397314 -2.69713640477 TCL: atom 1: phi = 0.0720444293884 TCL: Center of mass = 21.4346724667 -0.77903458762 -2.6971936748 TCL: atom 1: phi = 0.0713398140584 TCL: Center of mass = 21.4380959156 -0.779032739237 -2.69723908152 TCL: atom 1: phi = 0.0704736990734 TCL: Center of mass = 21.4415183314 -0.779036129547 -2.69728701415 TCL: atom 1: phi = 0.0698669077753 TCL: Center of mass = 21.4449497407 -0.779033595113 -2.69733735719 TCL: atom 1: phi = 0.0691485698398 TCL: Center of mass = 21.4483838885 -0.779041488438 -2.69739104355 TCL: atom 1: phi = 0.0687507937737 TCL: Center of mass = 21.4518132806 -0.779057589723 -2.69743044855 TCL: atom 1: phi = 0.0681659572613 TCL: Center of mass = 21.4552427798 -0.779076870689 -2.6974665493 TCL: atom 1: phi = 0.0677740247288 TCL: Center of mass = 21.4586674566 -0.779092748125 -2.69750934996 TCL: atom 1: phi = 0.0671310938415 TCL: Center of mass = 21.4620870551 -0.779107092869 -2.69755748967 TCL: atom 1: phi = 0.0665770052677 TCL: Center of mass = 21.4654994629 -0.779119276381 -2.69760463542 TCL: atom 1: phi = 0.0657530108082 TCL: Center of mass = 21.4689086812 -0.779128393747 -2.69764825667 TCL: atom 1: phi = 0.0650476092676 TCL: Center of mass = 21.4723186071 -0.779142252353 -2.69770334092 TCL: atom 1: phi = 0.0640915746724 TCL: Center of mass = 21.475719453 -0.779151617471 -2.69776776992 TCL: atom 1: phi = 0.0632703009954 TCL: Center of mass = 21.479119243 -0.779157130449 -2.69781988797 TCL: atom 1: phi = 0.0623672879088 TCL: Center of mass = 21.4825146246 -0.779154939148 -2.69787303776 TCL: atom 1: phi = 0.0616787151985 TCL: Center of mass = 21.4859173999 -0.779154523696 -2.69793545195 TCL: atom 1: phi = 0.0609607464174 TCL: Center of mass = 21.4893179431 -0.779165929444 -2.69800103308 TCL: atom 1: phi = 0.0604620207219 TCL: Center of mass = 21.4927065335 -0.779176793682 -2.69807127182 TCL: atom 1: phi = 0.0598940838303 TCL: Center of mass = 21.4960832742 -0.779191028803 -2.69814824074 TCL: atom 1: phi = 0.0595965505681 TCL: Center of mass = 21.4994650621 -0.779190694768 -2.69822374755 TCL: atom 1: phi = 0.0592221927008 TCL: Center of mass = 21.5028318685 -0.77919996232 -2.69829847715 TCL: atom 1: phi = 0.0591579872179 TCL: Center of mass = 21.5061976318 -0.77920883363 -2.69837508184 TCL: atom 1: phi = 0.0590661821333 TCL: Center of mass = 21.5095709137 -0.779212624566 -2.69844761892 TCL: atom 1: phi = 0.0593537497888 TCL: Center of mass = 21.5129487429 -0.779208616947 -2.69852786626 TCL: atom 1: phi = 0.0596739969044 TCL: Center of mass = 21.5163204601 -0.779210269084 -2.69860838885 TCL: atom 1: phi = 0.0603976656278 TCL: Center of mass = 21.5196939823 -0.77920871967 -2.69868195689 TCL: atom 1: phi = 0.0611104434825 TCL: Center of mass = 21.5230689971 -0.779204083307 -2.69874336914 TCL: atom 1: phi = 0.0622037939295 TCL: Center of mass = 21.5264462514 -0.779209587792 -2.69880023057 TCL: atom 1: phi = 0.0632414833655 TCL: Center of mass = 21.5298284644 -0.779216624428 -2.69886592134 TCL: atom 1: phi = 0.064513837081 TCL: Center of mass = 21.5332132119 -0.779224086266 -2.69892552078 TCL: atom 1: phi = 0.0655269452924 TCL: Center of mass = 21.5365917228 -0.779232605489 -2.69897903383 TCL: atom 1: phi = 0.06663690716 TCL: Center of mass = 21.5399698446 -0.779242458995 -2.6990221376 TCL: atom 1: phi = 0.0674036405987 TCL: Center of mass = 21.5433496901 -0.779257264211 -2.69905909509 TCL: atom 1: phi = 0.0683615315231 TCL: Center of mass = 21.5467278077 -0.77928134543 -2.69910656358 TCL: atom 1: phi = 0.0690716880217 TCL: Center of mass = 21.5501058135 -0.77930447959 -2.69915842777 TCL: atom 1: phi = 0.0700188260697 TIMING: 8200 CPU: 1399.2, 0.178273/step Wall: 1711.14, 0.213643/step, 0.700274 hours remaining, 21784 kB of memory in use. ENERGY: 8200 378.6745 678.0906 420.2386 41.6221 -2753.8537 -224.3579 0.0000 0.0000 1144.1321 -315.4537 311.8080 -306.8713 -307.4091 311.2479 726.9760 745.2914 64000.0000 504.1998 500.8475 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8200 WRITING COORDINATES TO DCD FILE AT STEP 8200 WRITING COORDINATES TO RESTART FILE AT STEP 8200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 21.5534893369 -0.779335896186 -2.69921748683 TCL: atom 1: phi = 0.0707293718963 TCL: Center of mass = 21.5568588603 -0.779371732032 -2.69927515156 TCL: atom 1: phi = 0.0717148596341 TCL: Center of mass = 21.5602210306 -0.779406789043 -2.69934147382 TCL: atom 1: phi = 0.0724809317264 TCL: Center of mass = 21.5635918457 -0.779439690181 -2.6994011272 TCL: atom 1: phi = 0.0734497492003 TCL: Center of mass = 21.566957002 -0.779466659914 -2.69943810408 TCL: atom 1: phi = 0.0740303393783 TCL: Center of mass = 21.5703139288 -0.779490577368 -2.69947446749 TCL: atom 1: phi = 0.0748727269115 TCL: Center of mass = 21.57366547 -0.779514462606 -2.69950768872 TCL: atom 1: phi = 0.0753371504831 TCL: Center of mass = 21.5770116326 -0.779532917057 -2.69953264653 TCL: atom 1: phi = 0.0760936396649 TCL: Center of mass = 21.5803660757 -0.7795449963 -2.69955243523 TCL: atom 1: phi = 0.0764985297112 TCL: Center of mass = 21.583712173 -0.779549399275 -2.69958590303 TCL: atom 1: phi = 0.0772642833092 TCL: Center of mass = 21.587066737 -0.779549747139 -2.69961664355 TCL: atom 1: phi = 0.0777838942275 TCL: Center of mass = 21.5904210855 -0.779550131579 -2.69965543796 TCL: atom 1: phi = 0.0786660084497 TCL: Center of mass = 21.5937740063 -0.779556646995 -2.69969685774 TCL: atom 1: phi = 0.0791940058736 TCL: Center of mass = 21.5971241399 -0.779559941192 -2.69973275212 TCL: atom 1: phi = 0.0800238879059 TCL: Center of mass = 21.6004889762 -0.779574812406 -2.69976517778 TCL: atom 1: phi = 0.0803398796763 TCL: Center of mass = 21.603844491 -0.779588091349 -2.69979244792 TCL: atom 1: phi = 0.080900482412 TCL: Center of mass = 21.6072012711 -0.779590862729 -2.69982684364 TCL: atom 1: phi = 0.0809070153576 TCL: Center of mass = 21.6105630118 -0.779592566531 -2.6998672341 TCL: atom 1: phi = 0.0811443439989 TCL: Center of mass = 21.6139123254 -0.779600652235 -2.69991118511 TCL: atom 1: phi = 0.0808717284118 TCL: Center of mass = 21.6172716039 -0.779619062618 -2.69995267463 TCL: atom 1: phi = 0.0809419145882 TCL: Center of mass = 21.6206358382 -0.779622811455 -2.69999671804 TCL: atom 1: phi = 0.0806737014164 TCL: Center of mass = 21.6239876537 -0.779623663227 -2.70003363834 TCL: atom 1: phi = 0.0808283368017 TCL: Center of mass = 21.6273323475 -0.779633371426 -2.70006487572 TCL: atom 1: phi = 0.0806026486652 TCL: Center of mass = 21.6306768709 -0.779629190844 -2.700098338 TCL: atom 1: phi = 0.0808128865617 TCL: Center of mass = 21.6340146393 -0.779623775846 -2.70013742356 TCL: atom 1: phi = 0.0805225021909 TCL: Center of mass = 21.6373472752 -0.779620190532 -2.70019345267 TCL: atom 1: phi = 0.080515521679 TCL: Center of mass = 21.6406739872 -0.779624336323 -2.70025137252 TCL: atom 1: phi = 0.0800471295177 TCL: Center of mass = 21.6439972386 -0.779623855123 -2.70030553462 TCL: atom 1: phi = 0.0799590934381 TCL: Center of mass = 21.6473370999 -0.779623137811 -2.70036644004 TCL: atom 1: phi = 0.0794507678302 TCL: Center of mass = 21.650670292 -0.779618667895 -2.70042719759 TCL: atom 1: phi = 0.0793593298586 TCL: Center of mass = 21.6540012706 -0.77961192713 -2.70049290028 TCL: atom 1: phi = 0.0788837482071 TCL: Center of mass = 21.6573314457 -0.779606239035 -2.70056132882 TCL: atom 1: phi = 0.0788073308303 TCL: Center of mass = 21.6606567089 -0.779600103507 -2.70061877066 TCL: atom 1: phi = 0.0783439623567 TCL: Center of mass = 21.663996939 -0.779587215671 -2.70068083934 TCL: atom 1: phi = 0.0782610873033 TCL: Center of mass = 21.6673308983 -0.779574237185 -2.70075568716 TCL: atom 1: phi = 0.0776087312777 TCL: Center of mass = 21.6706759378 -0.779557154323 -2.70082807315 TCL: atom 1: phi = 0.077131972077 TCL: Center of mass = 21.6740192351 -0.779542219134 -2.70090828405 TCL: atom 1: phi = 0.07595923361 TCL: Center of mass = 21.6773683567 -0.779524518867 -2.70098831809 TCL: atom 1: phi = 0.0749621640165 TCL: Center of mass = 21.6807248686 -0.779501745242 -2.70105816843 TCL: atom 1: phi = 0.073373115135 TCL: Center of mass = 21.6840926369 -0.77948155596 -2.70111663705 TCL: atom 1: phi = 0.0720551859157 TCL: Center of mass = 21.6874564462 -0.779460528193 -2.70117671044 TCL: atom 1: phi = 0.0704054085708 TCL: Center of mass = 21.6908124059 -0.779426918999 -2.70123918573 TCL: atom 1: phi = 0.0691662518885 TCL: Center of mass = 21.6941776228 -0.779395986482 -2.7013053777 TCL: atom 1: phi = 0.0677704703428 TCL: Center of mass = 21.6975375325 -0.779361990687 -2.70138157075 TCL: atom 1: phi = 0.0668439690672 TCL: Center of mass = 21.7009012647 -0.779330516769 -2.70145738997 TCL: atom 1: phi = 0.0656213142632 TCL: Center of mass = 21.7042629653 -0.779315009634 -2.70152052389 TCL: atom 1: phi = 0.0647052801462 TCL: Center of mass = 21.7076343169 -0.779298302332 -2.70157973349 TCL: atom 1: phi = 0.0635049481116 TCL: Center of mass = 21.7109936898 -0.779289079168 -2.70164394982 TCL: atom 1: phi = 0.0625262904839 TCL: Center of mass = 21.7143509469 -0.779283627234 -2.70170372597 TCL: atom 1: phi = 0.0613705672684 TCL: Center of mass = 21.717710154 -0.779267475555 -2.70176602722 TCL: atom 1: phi = 0.0605992726554 TCL: Center of mass = 21.7210708012 -0.779252200219 -2.70182514889 TCL: atom 1: phi = 0.0597884947838 TCL: Center of mass = 21.7244288312 -0.779224734537 -2.70189041274 TCL: atom 1: phi = 0.0595104971666 TCL: Center of mass = 21.7277748336 -0.77919398436 -2.70195477696 TCL: atom 1: phi = 0.0592563113227 TCL: Center of mass = 21.7311163731 -0.779160946506 -2.70202069386 TCL: atom 1: phi = 0.0593910131353 TCL: Center of mass = 21.7344537168 -0.779130107333 -2.70207239307 TCL: atom 1: phi = 0.0594367003928 TCL: Center of mass = 21.7377853801 -0.779101112418 -2.7021244145 TCL: atom 1: phi = 0.0596811432736 TCL: Center of mass = 21.741133287 -0.779069163696 -2.7021656215 TCL: atom 1: phi = 0.0596689603818 TCL: Center of mass = 21.7444802378 -0.779028798422 -2.70219962938 TCL: atom 1: phi = 0.0597911783459 TCL: Center of mass = 21.7478416282 -0.778983744128 -2.70223593608 TCL: atom 1: phi = 0.0596834818285 TCL: Center of mass = 21.7512102864 -0.778947008712 -2.70226237583 TCL: atom 1: phi = 0.0597941634468 TCL: Center of mass = 21.7545897436 -0.77891314306 -2.70229107867 TCL: atom 1: phi = 0.0598772203218 TCL: Center of mass = 21.7579605442 -0.778889894925 -2.70231919283 TCL: atom 1: phi = 0.0603200554179 TCL: Center of mass = 21.7613263115 -0.778857872038 -2.70234581103 TCL: atom 1: phi = 0.0608055103382 TCL: Center of mass = 21.7646915679 -0.778819411342 -2.70237678816 TCL: atom 1: phi = 0.0616105959251 TCL: Center of mass = 21.7680604684 -0.778774628188 -2.70241074663 TCL: atom 1: phi = 0.0623537034287 TCL: Center of mass = 21.7714127486 -0.778732206268 -2.70242646776 TCL: atom 1: phi = 0.0633019711598 TCL: Center of mass = 21.7747652033 -0.778692122415 -2.70244235814 TCL: atom 1: phi = 0.0640201509642 TCL: Center of mass = 21.7781143585 -0.778653544019 -2.70245553342 TCL: atom 1: phi = 0.0647656203927 TCL: Center of mass = 21.7814542842 -0.778608864988 -2.70246273284 TCL: atom 1: phi = 0.0652943839652 TCL: Center of mass = 21.7847871896 -0.778564432378 -2.70246861838 TCL: atom 1: phi = 0.0660127567204 TCL: Center of mass = 21.7881128566 -0.778510614513 -2.70246509803 TCL: atom 1: phi = 0.0666510556958 TCL: Center of mass = 21.7914325199 -0.778454416308 -2.7024534444 TCL: atom 1: phi = 0.0676408317515 TCL: Center of mass = 21.7947331907 -0.778396529905 -2.70243896367 TCL: atom 1: phi = 0.0686147594856 TCL: Center of mass = 21.7980335265 -0.778338585429 -2.702420515 TCL: atom 1: phi = 0.0698662310399 TCL: Center of mass = 21.801328504 -0.778280596788 -2.702390097 TCL: atom 1: phi = 0.0709727909893 TCL: Center of mass = 21.8046326566 -0.778222773536 -2.70235855543 TCL: atom 1: phi = 0.0721454939309 TCL: Center of mass = 21.8079373533 -0.778162803524 -2.70233239929 TCL: atom 1: phi = 0.0729151843629 TCL: Center of mass = 21.8112474616 -0.778103107799 -2.70230989346 TCL: atom 1: phi = 0.0736544744819 TCL: Center of mass = 21.8145542046 -0.778037252228 -2.70229629163 TCL: atom 1: phi = 0.0740526693966 TCL: Center of mass = 21.817865815 -0.777979894985 -2.70229148436 TCL: atom 1: phi = 0.074510024452 TCL: Center of mass = 21.8211630051 -0.77792854569 -2.70227907926 TCL: atom 1: phi = 0.0748045345749 TCL: Center of mass = 21.8244598698 -0.777886018708 -2.70226643371 TCL: atom 1: phi = 0.0754050305728 TCL: Center of mass = 21.827765193 -0.777841675252 -2.70225340042 TCL: atom 1: phi = 0.0759177197142 TCL: Center of mass = 21.8310804756 -0.777778443454 -2.70225236405 TCL: atom 1: phi = 0.0767272840583 TCL: Center of mass = 21.8344032715 -0.777716534325 -2.70224040623 TCL: atom 1: phi = 0.0774046680415 TCL: Center of mass = 21.8377332858 -0.777661319288 -2.70222374328 TCL: atom 1: phi = 0.078283569247 TCL: Center of mass = 21.8410566363 -0.777609054227 -2.7022058294 TCL: atom 1: phi = 0.0789500755405 TCL: Center of mass = 21.8443714008 -0.777555575592 -2.70217387811 TCL: atom 1: phi = 0.0797099374742 TCL: Center of mass = 21.8476791834 -0.777505850993 -2.70212928332 TCL: atom 1: phi = 0.0801636956097 TCL: Center of mass = 21.8509855176 -0.777462736406 -2.70208477974 TCL: atom 1: phi = 0.0807739314187 TCL: Center of mass = 21.8542977822 -0.777412315841 -2.70204346754 TCL: atom 1: phi = 0.0811794898893 TCL: Center of mass = 21.857609618 -0.777361988169 -2.70200692822 TCL: atom 1: phi = 0.0818928151755 TCL: Center of mass = 21.8609217359 -0.77731583919 -2.70197835015 TCL: atom 1: phi = 0.0824537855459 TCL: Center of mass = 21.8642301254 -0.77728682891 -2.70195450736 TCL: atom 1: phi = 0.083353339365 TCL: Center of mass = 21.8675358169 -0.77724989179 -2.70192343205 TCL: atom 1: phi = 0.0839631927169 TCL: Center of mass = 21.8708482616 -0.77721655138 -2.70189151574 TCL: atom 1: phi = 0.0846983159475 TCL: Center of mass = 21.8741690874 -0.777175233175 -2.70185853796 TCL: atom 1: phi = 0.0849591238502 TCL: Center of mass = 21.87749167 -0.777127308204 -2.70182833606 TCL: atom 1: phi = 0.0852331585634 TCL: Center of mass = 21.880835545 -0.777085817258 -2.70180870392 TCL: atom 1: phi = 0.085010649366 TCL: Center of mass = 21.8841609961 -0.777048692402 -2.7017849882 TCL: atom 1: phi = 0.0848755152365 TIMING: 8300 CPU: 1416.55, 0.173554/step Wall: 1732.24, 0.211024/step, 0.685828 hours remaining, 21880 kB of memory in use. ENERGY: 8300 391.3536 691.2239 399.7242 41.7221 -2771.0250 -206.4410 0.0000 0.0000 1150.2199 -303.2224 313.4671 -294.3517 -295.9170 311.8249 200.8955 93.5943 64000.0000 316.6737 319.9540 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8300 WRITING COORDINATES TO DCD FILE AT STEP 8300 WRITING COORDINATES TO RESTART FILE AT STEP 8300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 21.8874824038 -0.777013045608 -2.7017657262 TCL: atom 1: phi = 0.0843113946598 TCL: Center of mass = 21.8908174241 -0.776972339383 -2.7017479094 TCL: atom 1: phi = 0.0839916891597 TCL: Center of mass = 21.8941567292 -0.77692971302 -2.70172374724 TCL: atom 1: phi = 0.0834901982084 TCL: Center of mass = 21.8974869648 -0.776885735198 -2.70170229036 TCL: atom 1: phi = 0.0833301736475 TCL: Center of mass = 21.9008288064 -0.776827086874 -2.70168822555 TCL: atom 1: phi = 0.0829222360645 TCL: Center of mass = 21.9041623443 -0.776767880051 -2.70167043838 TCL: atom 1: phi = 0.0827310482818 TCL: Center of mass = 21.9074903244 -0.776710806001 -2.70165217109 TCL: atom 1: phi = 0.0822025517003 TCL: Center of mass = 21.9108050582 -0.776645037293 -2.70164781653 TCL: atom 1: phi = 0.0818282286608 TCL: Center of mass = 21.914112698 -0.776571424486 -2.70165194598 TCL: atom 1: phi = 0.0810806953222 TCL: Center of mass = 21.9174329437 -0.77650558525 -2.70165304842 TCL: atom 1: phi = 0.0804814687994 TCL: Center of mass = 21.9207445922 -0.776457523807 -2.70166167101 TCL: atom 1: phi = 0.0796073859897 TCL: Center of mass = 21.9240561026 -0.776422154451 -2.70165799672 TCL: atom 1: phi = 0.0789742773521 TCL: Center of mass = 21.9273693681 -0.776389404175 -2.70165168111 TCL: atom 1: phi = 0.0781854069302 TCL: Center of mass = 21.9306912067 -0.776364942835 -2.70164319927 TCL: atom 1: phi = 0.0777758283237 TCL: Center of mass = 21.933997798 -0.776352381452 -2.7016399008 TCL: atom 1: phi = 0.0772273569902 TCL: Center of mass = 21.9373101367 -0.776332646089 -2.70164077523 TCL: atom 1: phi = 0.0769092454237 TCL: Center of mass = 21.9406198975 -0.776331930909 -2.70164407702 TCL: atom 1: phi = 0.0763398931908 TCL: Center of mass = 21.9439182551 -0.776328172308 -2.70164511002 TCL: atom 1: phi = 0.0758144917163 TCL: Center of mass = 21.9472166615 -0.776329923695 -2.70166060447 TCL: atom 1: phi = 0.0750029477077 TCL: Center of mass = 21.9505148825 -0.776324407361 -2.7016679937 TCL: atom 1: phi = 0.0742679840755 TCL: Center of mass = 21.9538142536 -0.776317933265 -2.70167280097 TCL: atom 1: phi = 0.0733103505972 TCL: Center of mass = 21.9571147278 -0.776311546419 -2.70167164039 TCL: atom 1: phi = 0.0726559443418 TCL: Center of mass = 21.9604139757 -0.776307972654 -2.70167963278 TCL: atom 1: phi = 0.0719828592759 TCL: Center of mass = 21.9637213371 -0.776315574084 -2.70170097768 TCL: atom 1: phi = 0.0717021667431 TCL: Center of mass = 21.9670448924 -0.776329234876 -2.70173607188 TCL: atom 1: phi = 0.0714825180519 TCL: Center of mass = 21.9703546161 -0.776343525331 -2.70178041315 TCL: atom 1: phi = 0.0715890297532 TCL: Center of mass = 21.9736782265 -0.77635209304 -2.70181243182 TCL: atom 1: phi = 0.0716561216822 TCL: Center of mass = 21.9770109091 -0.776365012336 -2.70184296021 TCL: atom 1: phi = 0.0720419407327 TCL: Center of mass = 21.9803410798 -0.776385161391 -2.70186017083 TCL: atom 1: phi = 0.0723403178742 TCL: Center of mass = 21.9836725043 -0.776394576504 -2.70189200815 TCL: atom 1: phi = 0.0728481123623 TCL: Center of mass = 21.9870073945 -0.776408740288 -2.70191707068 TCL: atom 1: phi = 0.0732662797587 TCL: Center of mass = 21.9903281746 -0.776431021796 -2.70193600223 TCL: atom 1: phi = 0.0739873344325 TCL: Center of mass = 21.9936419176 -0.776458088257 -2.70196279921 TCL: atom 1: phi = 0.0746644258837 TCL: Center of mass = 21.9969495472 -0.776474826715 -2.70198315538 TCL: atom 1: phi = 0.0756922341102 TCL: Center of mass = 22.000257461 -0.776504772011 -2.70200259051 TCL: atom 1: phi = 0.0766778727631 TCL: Center of mass = 22.003560178 -0.776517516248 -2.70201216715 TCL: atom 1: phi = 0.0779689380669 TCL: Center of mass = 22.0068743199 -0.776531184836 -2.70201813753 TCL: atom 1: phi = 0.0790306103284 TCL: Center of mass = 22.0101757735 -0.776547212363 -2.70203038592 TCL: atom 1: phi = 0.0803013239581 TCL: Center of mass = 22.0134785002 -0.776554117374 -2.70204604493 TCL: atom 1: phi = 0.0811854156257 TCL: Center of mass = 22.0167798812 -0.776549617657 -2.70206350728 TCL: atom 1: phi = 0.0821772640662 TCL: Center of mass = 22.0200711763 -0.776559540641 -2.70208344768 TCL: atom 1: phi = 0.0828144296278 TCL: Center of mass = 22.0233642156 -0.776566390644 -2.70209712739 TCL: atom 1: phi = 0.083625934548 TCL: Center of mass = 22.0266514725 -0.776575474393 -2.70210146439 TCL: atom 1: phi = 0.0842029761696 TCL: Center of mass = 22.0299405666 -0.776580158871 -2.70211428489 TCL: atom 1: phi = 0.0850570377629 TCL: Center of mass = 22.0332285761 -0.776589870663 -2.70212939318 TCL: atom 1: phi = 0.0857400743679 TCL: Center of mass = 22.0365208958 -0.776597826848 -2.70214933672 TCL: atom 1: phi = 0.0866806790522 TCL: Center of mass = 22.0398248606 -0.776602534087 -2.7021564571 TCL: atom 1: phi = 0.0873299528253 TCL: Center of mass = 22.0431330475 -0.77660426639 -2.70218437247 TCL: atom 1: phi = 0.0881928993936 TCL: Center of mass = 22.0464479664 -0.776614358047 -2.7022142366 TCL: atom 1: phi = 0.0886175681142 TCL: Center of mass = 22.0497705636 -0.776618242717 -2.70223915398 TCL: atom 1: phi = 0.0891751286671 TCL: Center of mass = 22.053096302 -0.77661336925 -2.70227795183 TCL: atom 1: phi = 0.0892433568504 TCL: Center of mass = 22.0564309814 -0.776614861434 -2.70230269472 TCL: atom 1: phi = 0.0895578235249 TCL: Center of mass = 22.0597779509 -0.776625382416 -2.70233066057 TCL: atom 1: phi = 0.0894613789743 TCL: Center of mass = 22.0631350674 -0.776629798822 -2.70236951504 TCL: atom 1: phi = 0.0897659986606 TCL: Center of mass = 22.0665011337 -0.776639513594 -2.70240496077 TCL: atom 1: phi = 0.0897690242495 TCL: Center of mass = 22.0698635065 -0.776647413862 -2.70245035854 TCL: atom 1: phi = 0.0901362855773 TCL: Center of mass = 22.0732350529 -0.776656204228 -2.70250802477 TCL: atom 1: phi = 0.0901450418651 TCL: Center of mass = 22.0766029293 -0.776662001486 -2.70256142938 TCL: atom 1: phi = 0.0903517483249 TCL: Center of mass = 22.0799786732 -0.776698523776 -2.70261332272 TCL: atom 1: phi = 0.0900475895891 TCL: Center of mass = 22.0833629141 -0.776732749074 -2.7026638588 TCL: atom 1: phi = 0.0898844719999 TCL: Center of mass = 22.086745785 -0.776762289033 -2.70271066917 TCL: atom 1: phi = 0.0892981511264 TCL: Center of mass = 22.0901271047 -0.776797132877 -2.70275813099 TCL: atom 1: phi = 0.0890058528802 TCL: Center of mass = 22.0935237174 -0.776831021191 -2.70279814142 TCL: atom 1: phi = 0.0884954056999 TCL: Center of mass = 22.0969176751 -0.776873686338 -2.70285254548 TCL: atom 1: phi = 0.0883799373905 TCL: Center of mass = 22.1003134297 -0.776914545697 -2.70291495422 TCL: atom 1: phi = 0.0881874696455 TCL: Center of mass = 22.1037159825 -0.776960039726 -2.70298508386 TCL: atom 1: phi = 0.088461819848 TCL: Center of mass = 22.1071304573 -0.777000358861 -2.70305165982 TCL: atom 1: phi = 0.0885613568599 TCL: Center of mass = 22.110549511 -0.77704660634 -2.70312142099 TCL: atom 1: phi = 0.088930231525 TCL: Center of mass = 22.1139616598 -0.77709325293 -2.70318949416 TCL: atom 1: phi = 0.0889466991734 TCL: Center of mass = 22.1173619432 -0.777142836294 -2.70324053163 TCL: atom 1: phi = 0.0890466684694 TCL: Center of mass = 22.1207702011 -0.777180718327 -2.70329267416 TCL: atom 1: phi = 0.088751171263 TCL: Center of mass = 22.1241812606 -0.777220838013 -2.70335106177 TCL: atom 1: phi = 0.0886526683655 TCL: Center of mass = 22.1275915204 -0.777263795 -2.70341372703 TCL: atom 1: phi = 0.088289193492 TCL: Center of mass = 22.1310035646 -0.777294081196 -2.70348282991 TCL: atom 1: phi = 0.0882774973033 TCL: Center of mass = 22.1344267869 -0.777316358781 -2.70356243727 TCL: atom 1: phi = 0.0881853327829 TCL: Center of mass = 22.1378647726 -0.777341865698 -2.70363635849 TCL: atom 1: phi = 0.088395017095 TCL: Center of mass = 22.1412901688 -0.77736120123 -2.70370924059 TCL: atom 1: phi = 0.0883687865357 TCL: Center of mass = 22.1447235678 -0.777383715137 -2.70378724644 TCL: atom 1: phi = 0.0885148732482 TCL: Center of mass = 22.148153072 -0.7774032828 -2.70385784417 TCL: atom 1: phi = 0.0882129201186 TCL: Center of mass = 22.1515765973 -0.777423434375 -2.7039192287 TCL: atom 1: phi = 0.0879737128541 TCL: Center of mass = 22.1550111039 -0.777439392558 -2.70398104579 TCL: atom 1: phi = 0.0873038380372 TCL: Center of mass = 22.1584348125 -0.77746785177 -2.70405800492 TCL: atom 1: phi = 0.0867996290872 TCL: Center of mass = 22.1618657392 -0.777498693393 -2.70411946572 TCL: atom 1: phi = 0.0861258865555 TCL: Center of mass = 22.1652999625 -0.777525226016 -2.70420060496 TCL: atom 1: phi = 0.0857856746177 TCL: Center of mass = 22.168723078 -0.777555828576 -2.70427992815 TCL: atom 1: phi = 0.0854475314276 TCL: Center of mass = 22.1721551772 -0.777585553908 -2.70435993972 TCL: atom 1: phi = 0.0855272537709 TCL: Center of mass = 22.1755935602 -0.77761454202 -2.70445029813 TCL: atom 1: phi = 0.0855547869014 TCL: Center of mass = 22.1790276491 -0.777645709195 -2.70454257347 TCL: atom 1: phi = 0.0858470834492 TCL: Center of mass = 22.1824746158 -0.777676237719 -2.70463503863 TCL: atom 1: phi = 0.0858712332941 TCL: Center of mass = 22.1859136843 -0.777699944603 -2.70472851779 TCL: atom 1: phi = 0.086028500736 TCL: Center of mass = 22.1893549927 -0.777730045606 -2.7048138713 TCL: atom 1: phi = 0.0859126105871 TCL: Center of mass = 22.1928070929 -0.777770052316 -2.704911752 TCL: atom 1: phi = 0.0859587772507 TCL: Center of mass = 22.1962565939 -0.777798330432 -2.7050210114 TCL: atom 1: phi = 0.0858343543892 TCL: Center of mass = 22.1996979461 -0.777820694313 -2.70513174304 TCL: atom 1: phi = 0.0859558749495 TCL: Center of mass = 22.203140531 -0.777841058249 -2.70524395745 TCL: atom 1: phi = 0.0861089879976 TCL: Center of mass = 22.2065837613 -0.777859557028 -2.70535144075 TCL: atom 1: phi = 0.0866242519744 TCL: Center of mass = 22.2100270807 -0.777869150167 -2.70546425354 TCL: atom 1: phi = 0.0871046976965 TCL: Center of mass = 22.2134641342 -0.777883298728 -2.70557398859 TCL: atom 1: phi = 0.0878629929712 TCL: Center of mass = 22.2169112573 -0.77788915322 -2.70568582202 TCL: atom 1: phi = 0.088540179357 TCL: Center of mass = 22.2203631463 -0.777889947944 -2.70578534769 TCL: atom 1: phi = 0.0894088144737 TIMING: 8400 CPU: 1433.99, 0.174403/step Wall: 1753.38, 0.211335/step, 0.680967 hours remaining, 21881 kB of memory in use. ENERGY: 8400 387.4641 714.6695 413.1977 37.3727 -2758.6389 -216.1575 0.0000 0.0000 1141.1523 -280.9400 310.9959 -272.1645 -273.3086 314.3695 1554.0857 1240.3750 64000.0000 423.3313 421.3529 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8400 WRITING COORDINATES TO DCD FILE AT STEP 8400 WRITING COORDINATES TO RESTART FILE AT STEP 8400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 22.2238115355 -0.777906598537 -2.70588843914 TCL: atom 1: phi = 0.0900719523363 TCL: Center of mass = 22.2272739565 -0.777918152265 -2.7059968403 TCL: atom 1: phi = 0.090905174278 TCL: Center of mass = 22.2307362686 -0.777938735412 -2.70611473958 TCL: atom 1: phi = 0.0916668499597 TCL: Center of mass = 22.2341921122 -0.77796883817 -2.70622611495 TCL: atom 1: phi = 0.0927170894853 TCL: Center of mass = 22.2376522785 -0.777997923589 -2.70633984864 TCL: atom 1: phi = 0.0937332376583 TCL: Center of mass = 22.2411073092 -0.778017476446 -2.70645869101 TCL: atom 1: phi = 0.0951802063023 TCL: Center of mass = 22.2445674923 -0.778029877201 -2.70657813354 TCL: atom 1: phi = 0.0966140371824 TCL: Center of mass = 22.2480205753 -0.778044453552 -2.70669348514 TCL: atom 1: phi = 0.0983021736658 TCL: Center of mass = 22.2514817196 -0.778070273824 -2.70682364954 TCL: atom 1: phi = 0.0997659595603 TCL: Center of mass = 22.2549488247 -0.778088833765 -2.70695341228 TCL: atom 1: phi = 0.10136057489 TCL: Center of mass = 22.2584124906 -0.778105079178 -2.70708431716 TCL: atom 1: phi = 0.10253970227 TCL: Center of mass = 22.2618828996 -0.778127867773 -2.70720440222 TCL: atom 1: phi = 0.103762172311 TCL: Center of mass = 22.2653662252 -0.778142964223 -2.70732936181 TCL: atom 1: phi = 0.104614436242 TCL: Center of mass = 22.2688505992 -0.77814837864 -2.70747584059 TCL: atom 1: phi = 0.105620585202 TCL: Center of mass = 22.2723366186 -0.77814760892 -2.70762203452 TCL: atom 1: phi = 0.106394810735 TCL: Center of mass = 22.2758230691 -0.778141395935 -2.70776622576 TCL: atom 1: phi = 0.107467869593 TCL: Center of mass = 22.2793044893 -0.778140565908 -2.70791176017 TCL: atom 1: phi = 0.108308681957 TCL: Center of mass = 22.2827821689 -0.778133843236 -2.70805308169 TCL: atom 1: phi = 0.109421463256 TCL: Center of mass = 22.2862626316 -0.77811707431 -2.70820311805 TCL: atom 1: phi = 0.110172823545 TCL: Center of mass = 22.2897321638 -0.778101720828 -2.70834581386 TCL: atom 1: phi = 0.111170972448 TCL: Center of mass = 22.2931942295 -0.7780870461 -2.70848744107 TCL: atom 1: phi = 0.111629103268 TCL: Center of mass = 22.2966549648 -0.778057715381 -2.70862404144 TCL: atom 1: phi = 0.112247951457 TCL: Center of mass = 22.3001145431 -0.778024257787 -2.70876657147 TCL: atom 1: phi = 0.112436317992 TCL: Center of mass = 22.3035613173 -0.777991578306 -2.70889079056 TCL: atom 1: phi = 0.112960453036 TCL: Center of mass = 22.3070113464 -0.777963390774 -2.70901850904 TCL: atom 1: phi = 0.11320398624 TCL: Center of mass = 22.3104666675 -0.777934881872 -2.70915162682 TCL: atom 1: phi = 0.113917686141 TCL: Center of mass = 22.3139277443 -0.777913246933 -2.70929785593 TCL: atom 1: phi = 0.114334180515 TCL: Center of mass = 22.3173928185 -0.777887397344 -2.70945076737 TCL: atom 1: phi = 0.11513669157 TCL: Center of mass = 22.3208603369 -0.777869337988 -2.70960314019 TCL: atom 1: phi = 0.115461622767 TCL: Center of mass = 22.3243304044 -0.777836108234 -2.70976986032 TCL: atom 1: phi = 0.115998369297 TCL: Center of mass = 22.3277976725 -0.777809181014 -2.70992712629 TCL: atom 1: phi = 0.115898418826 TCL: Center of mass = 22.3312702638 -0.777784604485 -2.71007619542 TCL: atom 1: phi = 0.115933310717 TCL: Center of mass = 22.3347424421 -0.777769356931 -2.71023191802 TCL: atom 1: phi = 0.115338280456 TCL: Center of mass = 22.3382111923 -0.777766378795 -2.71037435611 TCL: atom 1: phi = 0.114899688173 TCL: Center of mass = 22.3416773313 -0.777782084425 -2.71051692056 TCL: atom 1: phi = 0.1139501113 TCL: Center of mass = 22.345138434 -0.777811183894 -2.71064397684 TCL: atom 1: phi = 0.113295619334 TCL: Center of mass = 22.34861622 -0.777848270834 -2.7107828112 TCL: atom 1: phi = 0.112315001486 TCL: Center of mass = 22.3520936228 -0.777891733738 -2.71092516242 TCL: atom 1: phi = 0.111725742676 TCL: Center of mass = 22.3555703881 -0.777931360206 -2.71108086504 TCL: atom 1: phi = 0.11089130916 TCL: Center of mass = 22.359050975 -0.777958643121 -2.71123426738 TCL: atom 1: phi = 0.11044590345 TCL: Center of mass = 22.3625362802 -0.777987800763 -2.71138310842 TCL: atom 1: phi = 0.10970280445 TCL: Center of mass = 22.3660274566 -0.778014518366 -2.71153246062 TCL: atom 1: phi = 0.109326829164 TCL: Center of mass = 22.3695326892 -0.778045802798 -2.71168071012 TCL: atom 1: phi = 0.108665564714 TCL: Center of mass = 22.3730413977 -0.77807382565 -2.71182678851 TCL: atom 1: phi = 0.108360389687 TCL: Center of mass = 22.3765444681 -0.778111644858 -2.71198820432 TCL: atom 1: phi = 0.107879166082 TCL: Center of mass = 22.3800486283 -0.778149254796 -2.71215710259 TCL: atom 1: phi = 0.107812777619 TCL: Center of mass = 22.3835517128 -0.778183551131 -2.71233741699 TCL: atom 1: phi = 0.107668729469 TCL: Center of mass = 22.3870491814 -0.778221062403 -2.71252013381 TCL: atom 1: phi = 0.107944828706 TCL: Center of mass = 22.3905427499 -0.77826772987 -2.71269740728 TCL: atom 1: phi = 0.108040160085 TCL: Center of mass = 22.3940366742 -0.778317800835 -2.7128831658 TCL: atom 1: phi = 0.108413724463 TCL: Center of mass = 22.3975288909 -0.778355869914 -2.71306903 TCL: atom 1: phi = 0.108451537997 TCL: Center of mass = 22.4010139811 -0.778389356134 -2.71325688105 TCL: atom 1: phi = 0.108586240814 TCL: Center of mass = 22.4045048143 -0.77841357863 -2.71345200057 TCL: atom 1: phi = 0.108309740297 TCL: Center of mass = 22.4079965613 -0.778432110171 -2.71364344875 TCL: atom 1: phi = 0.108126356766 TCL: Center of mass = 22.4114826456 -0.778455743756 -2.71382802113 TCL: atom 1: phi = 0.107655806738 TCL: Center of mass = 22.4149714651 -0.778484029031 -2.71401473777 TCL: atom 1: phi = 0.107392884124 TCL: Center of mass = 22.4184504989 -0.7785031143 -2.71419845691 TCL: atom 1: phi = 0.106933789717 TCL: Center of mass = 22.4219191764 -0.778532976476 -2.71438575909 TCL: atom 1: phi = 0.106754079086 TCL: Center of mass = 22.425394755 -0.778562377806 -2.71457052981 TCL: atom 1: phi = 0.106458856601 TCL: Center of mass = 22.4288692211 -0.778596058484 -2.71473543768 TCL: atom 1: phi = 0.106482334943 TCL: Center of mass = 22.4323419513 -0.778626190908 -2.71489555875 TCL: atom 1: phi = 0.106315365299 TCL: Center of mass = 22.4358203033 -0.778656964155 -2.71505317976 TCL: atom 1: phi = 0.10643105762 TCL: Center of mass = 22.4393048021 -0.778685587571 -2.71520363046 TCL: atom 1: phi = 0.106360904174 TCL: Center of mass = 22.4427966103 -0.77872026702 -2.71534532382 TCL: atom 1: phi = 0.106538607075 TCL: Center of mass = 22.4462842243 -0.778744902245 -2.71549028349 TCL: atom 1: phi = 0.106607902703 TCL: Center of mass = 22.449768748 -0.77876326764 -2.71563662854 TCL: atom 1: phi = 0.10698788413 TCL: Center of mass = 22.4532498364 -0.778778034613 -2.71578183167 TCL: atom 1: phi = 0.107360321486 TCL: Center of mass = 22.4567253182 -0.778804158462 -2.71593288572 TCL: atom 1: phi = 0.108026311649 TCL: Center of mass = 22.4601998192 -0.778820966678 -2.71607857858 TCL: atom 1: phi = 0.108606386443 TCL: Center of mass = 22.4636725572 -0.77884380844 -2.71622221157 TCL: atom 1: phi = 0.109402085987 TCL: Center of mass = 22.4671418323 -0.778874614448 -2.71637073877 TCL: atom 1: phi = 0.109988415671 TCL: Center of mass = 22.4706154939 -0.778893364762 -2.71652842939 TCL: atom 1: phi = 0.110716389313 TCL: Center of mass = 22.4740957015 -0.77890509627 -2.71670095512 TCL: atom 1: phi = 0.111103483708 TCL: Center of mass = 22.4775857119 -0.778919488606 -2.71687416637 TCL: atom 1: phi = 0.11155579114 TCL: Center of mass = 22.4810570955 -0.778942813892 -2.7170423194 TCL: atom 1: phi = 0.111714118119 TCL: Center of mass = 22.4845395465 -0.778967955669 -2.71721983378 TCL: atom 1: phi = 0.112112621928 TCL: Center of mass = 22.4880273185 -0.778988014512 -2.71739666893 TCL: atom 1: phi = 0.112274856763 TCL: Center of mass = 22.4915112189 -0.779005839324 -2.71757047776 TCL: atom 1: phi = 0.112682612542 TCL: Center of mass = 22.4949938374 -0.779008076679 -2.7177547178 TCL: atom 1: phi = 0.1129890807 TCL: Center of mass = 22.4984739353 -0.779011242096 -2.71793591136 TCL: atom 1: phi = 0.113555791481 TCL: Center of mass = 22.5019520022 -0.779005550555 -2.71812668846 TCL: atom 1: phi = 0.113972549031 TCL: Center of mass = 22.5054160256 -0.779004693025 -2.71832190247 TCL: atom 1: phi = 0.114588382467 TCL: Center of mass = 22.5088752421 -0.779007299137 -2.71851982571 TCL: atom 1: phi = 0.115013295635 TCL: Center of mass = 22.5123298212 -0.779014050453 -2.71872311755 TCL: atom 1: phi = 0.115683359554 TCL: Center of mass = 22.515779181 -0.779024907389 -2.71893059561 TCL: atom 1: phi = 0.11614452689 TCL: Center of mass = 22.5192285148 -0.779030505525 -2.7191446751 TCL: atom 1: phi = 0.116853845675 TCL: Center of mass = 22.5226703228 -0.779040463127 -2.71934226789 TCL: atom 1: phi = 0.117460796126 TCL: Center of mass = 22.5261167391 -0.779034234399 -2.7195385732 TCL: atom 1: phi = 0.118384539925 TCL: Center of mass = 22.5295514319 -0.779021287879 -2.71974487917 TCL: atom 1: phi = 0.119172860926 TCL: Center of mass = 22.5330071548 -0.779010589982 -2.71994867178 TCL: atom 1: phi = 0.120218651627 TCL: Center of mass = 22.5364560858 -0.779001808855 -2.72013980362 TCL: atom 1: phi = 0.121020799788 TCL: Center of mass = 22.5399150324 -0.778989902586 -2.72032135662 TCL: atom 1: phi = 0.122011893183 TCL: Center of mass = 22.5433717264 -0.778984928548 -2.72049755776 TCL: atom 1: phi = 0.122587856406 TCL: Center of mass = 22.5468385373 -0.778965150504 -2.72067306477 TCL: atom 1: phi = 0.123263694358 TCL: Center of mass = 22.55030842 -0.778946583523 -2.72085169884 TCL: atom 1: phi = 0.123489460854 TCL: Center of mass = 22.5537871777 -0.778921998672 -2.72103554972 TCL: atom 1: phi = 0.123792143253 TCL: Center of mass = 22.5572739438 -0.778905088048 -2.72122641147 TCL: atom 1: phi = 0.123770005637 TCL: Center of mass = 22.5607587939 -0.778881502107 -2.72142849125 TCL: atom 1: phi = 0.123927208675 TCL: Center of mass = 22.5642488202 -0.778865488269 -2.72162996232 TCL: atom 1: phi = 0.123890885017 TCL: Center of mass = 22.5677394333 -0.778849868784 -2.72182501086 TCL: atom 1: phi = 0.124124908109 TIMING: 8500 CPU: 1451.28, 0.172844/step Wall: 1774.55, 0.211685/step, 0.676215 hours remaining, 21890 kB of memory in use. ENERGY: 8500 388.3672 669.5033 409.6904 39.2138 -2789.3462 -184.6839 0.0000 0.0000 1169.8458 -297.4097 318.8157 -289.1215 -288.3688 314.8566 937.6478 695.9279 64000.0000 610.6626 617.0590 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8500 WRITING COORDINATES TO DCD FILE AT STEP 8500 WRITING COORDINATES TO RESTART FILE AT STEP 8500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 22.5712250812 -0.778830491787 -2.72201166166 TCL: atom 1: phi = 0.124094461078 TCL: Center of mass = 22.5747069967 -0.778802976372 -2.72219024072 TCL: atom 1: phi = 0.124340245525 TCL: Center of mass = 22.578208367 -0.778769022383 -2.72237832148 TCL: atom 1: phi = 0.124275302794 TCL: Center of mass = 22.5817210933 -0.77871799859 -2.72256730737 TCL: atom 1: phi = 0.124335161634 TCL: Center of mass = 22.5852262186 -0.778665088302 -2.72275615354 TCL: atom 1: phi = 0.124007603189 TCL: Center of mass = 22.5887233471 -0.778606668532 -2.72293913623 TCL: atom 1: phi = 0.123793619177 TCL: Center of mass = 22.5922176044 -0.778549701135 -2.7231239644 TCL: atom 1: phi = 0.12326901311 TCL: Center of mass = 22.595706173 -0.778484695631 -2.72330596967 TCL: atom 1: phi = 0.123041768346 TCL: Center of mass = 22.599201091 -0.778411715653 -2.72348557565 TCL: atom 1: phi = 0.122635870205 TCL: Center of mass = 22.6027103682 -0.778337387521 -2.72366005956 TCL: atom 1: phi = 0.122538953321 TCL: Center of mass = 22.6062138023 -0.778280985674 -2.72383254078 TCL: atom 1: phi = 0.122233660185 TCL: Center of mass = 22.6097050175 -0.778234518271 -2.72400355328 TCL: atom 1: phi = 0.122121747677 TCL: Center of mass = 22.6131902652 -0.778186162646 -2.72418350473 TCL: atom 1: phi = 0.121568539503 TCL: Center of mass = 22.6166712752 -0.778131946121 -2.72435897399 TCL: atom 1: phi = 0.121084120782 TCL: Center of mass = 22.6201617301 -0.778076134334 -2.72453577327 TCL: atom 1: phi = 0.120168036213 TCL: Center of mass = 22.6236549522 -0.778019284167 -2.72471104533 TCL: atom 1: phi = 0.119232728012 TCL: Center of mass = 22.6271560507 -0.777970923665 -2.72489850173 TCL: atom 1: phi = 0.117913301623 TCL: Center of mass = 22.6306488081 -0.777917351325 -2.72507642939 TCL: atom 1: phi = 0.116819883696 TCL: Center of mass = 22.6341377964 -0.777850253758 -2.72525178901 TCL: atom 1: phi = 0.115574317075 TCL: Center of mass = 22.6376342955 -0.777792072428 -2.72542919478 TCL: atom 1: phi = 0.11480295701 TCL: Center of mass = 22.6411447907 -0.777738984093 -2.72561811181 TCL: atom 1: phi = 0.114039180387 TCL: Center of mass = 22.6446595188 -0.777693084927 -2.72580920018 TCL: atom 1: phi = 0.11378510914 TCL: Center of mass = 22.648180202 -0.77765332314 -2.72600090259 TCL: atom 1: phi = 0.113557674757 TCL: Center of mass = 22.6517073372 -0.777612106476 -2.72619276375 TCL: atom 1: phi = 0.113673399468 TCL: Center of mass = 22.6552343745 -0.777586168803 -2.72638489742 TCL: atom 1: phi = 0.113700176831 TCL: Center of mass = 22.6587636766 -0.777565868342 -2.72657376151 TCL: atom 1: phi = 0.114075565949 TCL: Center of mass = 22.6623089706 -0.777542170131 -2.72675111101 TCL: atom 1: phi = 0.114336648431 TCL: Center of mass = 22.6658520032 -0.777509538432 -2.72691897996 TCL: atom 1: phi = 0.11502649278 TCL: Center of mass = 22.6694011155 -0.777477611243 -2.72708773358 TCL: atom 1: phi = 0.115654104918 TCL: Center of mass = 22.672950936 -0.777457555339 -2.72725942704 TCL: atom 1: phi = 0.116664859401 TCL: Center of mass = 22.676494206 -0.777433525697 -2.72743916643 TCL: atom 1: phi = 0.117558372579 TCL: Center of mass = 22.6800456974 -0.777410861005 -2.72762350638 TCL: atom 1: phi = 0.118837273937 TCL: Center of mass = 22.6835922519 -0.777400413585 -2.72781720384 TCL: atom 1: phi = 0.119888483288 TCL: Center of mass = 22.6871346755 -0.777376792495 -2.72800919085 TCL: atom 1: phi = 0.121127898064 TCL: Center of mass = 22.6906751598 -0.77735443446 -2.72820413578 TCL: atom 1: phi = 0.121866408067 TCL: Center of mass = 22.6942177353 -0.777322137396 -2.7283964058 TCL: atom 1: phi = 0.122674188438 TCL: Center of mass = 22.6977640874 -0.777284472332 -2.72857498275 TCL: atom 1: phi = 0.122970283283 TCL: Center of mass = 22.701318976 -0.777246022512 -2.72874915991 TCL: atom 1: phi = 0.123464762471 TCL: Center of mass = 22.7048787668 -0.777197741006 -2.72891106464 TCL: atom 1: phi = 0.123578008878 TCL: Center of mass = 22.7084305525 -0.777152352749 -2.72908222123 TCL: atom 1: phi = 0.124160225048 TCL: Center of mass = 22.7119771428 -0.777112353973 -2.72925875172 TCL: atom 1: phi = 0.124482506266 TCL: Center of mass = 22.7155247047 -0.777077167561 -2.7294358573 TCL: atom 1: phi = 0.125340973557 TCL: Center of mass = 22.7190640538 -0.777041757105 -2.72961600585 TCL: atom 1: phi = 0.125916264335 TCL: Center of mass = 22.7225999476 -0.777011615865 -2.72979889881 TCL: atom 1: phi = 0.126938545929 TCL: Center of mass = 22.7261286702 -0.776973017744 -2.72998060847 TCL: atom 1: phi = 0.127462689572 TCL: Center of mass = 22.7296420752 -0.776947557621 -2.73016326758 TCL: atom 1: phi = 0.128277530773 TCL: Center of mass = 22.7331550333 -0.776920860134 -2.73035665848 TCL: atom 1: phi = 0.128519671665 TCL: Center of mass = 22.7366754451 -0.776896591225 -2.73055866741 TCL: atom 1: phi = 0.129060749393 TCL: Center of mass = 22.7401896883 -0.776867218776 -2.73076420404 TCL: atom 1: phi = 0.129100373727 TCL: Center of mass = 22.7437031895 -0.776853602798 -2.73097204867 TCL: atom 1: phi = 0.129508803439 TCL: Center of mass = 22.7472212519 -0.776844508994 -2.73118513259 TCL: atom 1: phi = 0.129393036142 TCL: Center of mass = 22.7507364307 -0.77682573557 -2.73138345035 TCL: atom 1: phi = 0.129589051687 TCL: Center of mass = 22.7542594491 -0.776803719789 -2.73158816734 TCL: atom 1: phi = 0.129218522563 TCL: Center of mass = 22.7577741704 -0.776774918341 -2.73178942516 TCL: atom 1: phi = 0.129063134167 TCL: Center of mass = 22.7612735635 -0.776736497576 -2.7319997095 TCL: atom 1: phi = 0.128278792483 TCL: Center of mass = 22.7647709235 -0.776704693022 -2.73220525635 TCL: atom 1: phi = 0.127639793829 TCL: Center of mass = 22.7682653795 -0.776658939991 -2.73240994431 TCL: atom 1: phi = 0.126299202905 TCL: Center of mass = 22.7717615734 -0.776593513513 -2.73262022342 TCL: atom 1: phi = 0.12511457632 TCL: Center of mass = 22.7752466825 -0.776517151599 -2.73283003002 TCL: atom 1: phi = 0.123519797293 TCL: Center of mass = 22.778727265 -0.776439151822 -2.73303773761 TCL: atom 1: phi = 0.12230619381 TCL: Center of mass = 22.7821979822 -0.776357128678 -2.73324748366 TCL: atom 1: phi = 0.120914755887 TCL: Center of mass = 22.7856695392 -0.776277822799 -2.73345392785 TCL: atom 1: phi = 0.120086855859 TCL: Center of mass = 22.7891367861 -0.776194449787 -2.7336650223 TCL: atom 1: phi = 0.119246235102 TCL: Center of mass = 22.7926099867 -0.776117911002 -2.73387527843 TCL: atom 1: phi = 0.118865632705 TCL: Center of mass = 22.796090656 -0.776047309643 -2.73408454768 TCL: atom 1: phi = 0.118431938214 TCL: Center of mass = 22.7995642792 -0.775974654436 -2.73429219797 TCL: atom 1: phi = 0.118331418826 TCL: Center of mass = 22.8030343008 -0.775918407199 -2.73450582542 TCL: atom 1: phi = 0.118032157926 TCL: Center of mass = 22.8065103808 -0.775862688121 -2.7347309688 TCL: atom 1: phi = 0.118009035792 TCL: Center of mass = 22.8099955218 -0.775818976659 -2.73495525357 TCL: atom 1: phi = 0.117803787678 TCL: Center of mass = 22.813480624 -0.775770925684 -2.73517674861 TCL: atom 1: phi = 0.118015063053 TCL: Center of mass = 22.8169636276 -0.775717302824 -2.73541018746 TCL: atom 1: phi = 0.118122173736 TCL: Center of mass = 22.8204539429 -0.775658523138 -2.73564732961 TCL: atom 1: phi = 0.118660313991 TCL: Center of mass = 22.8239323449 -0.775597330217 -2.73588834292 TCL: atom 1: phi = 0.119093246219 TCL: Center of mass = 22.8274055821 -0.775524092163 -2.73612161407 TCL: atom 1: phi = 0.119845336935 TCL: Center of mass = 22.8308698813 -0.775451114026 -2.73635163724 TCL: atom 1: phi = 0.120387424856 TCL: Center of mass = 22.8343358743 -0.775386080247 -2.73657616453 TCL: atom 1: phi = 0.121084408999 TCL: Center of mass = 22.8378084145 -0.775331661377 -2.73680652731 TCL: atom 1: phi = 0.121369127022 TCL: Center of mass = 22.8412845699 -0.775282577518 -2.73703390447 TCL: atom 1: phi = 0.121758148154 TCL: Center of mass = 22.8447586437 -0.775227574617 -2.73727192122 TCL: atom 1: phi = 0.121801994779 TCL: Center of mass = 22.848227837 -0.775170264839 -2.7375128705 TCL: atom 1: phi = 0.122079050231 TCL: Center of mass = 22.8516964063 -0.775120307079 -2.73774303333 TCL: atom 1: phi = 0.122181502425 TCL: Center of mass = 22.8551675279 -0.775068723037 -2.73796928262 TCL: atom 1: phi = 0.122809396134 TCL: Center of mass = 22.858632137 -0.774999806414 -2.73819796684 TCL: atom 1: phi = 0.123430150972 TCL: Center of mass = 22.8620939886 -0.774927108573 -2.73842332112 TCL: atom 1: phi = 0.124532337625 TCL: Center of mass = 22.8655583475 -0.774864111417 -2.73865365403 TCL: atom 1: phi = 0.125475265971 TCL: Center of mass = 22.8690248232 -0.774800704888 -2.73887757011 TCL: atom 1: phi = 0.12673476333 TCL: Center of mass = 22.8724960971 -0.774737763301 -2.7391017521 TCL: atom 1: phi = 0.127681549053 TCL: Center of mass = 22.8759615538 -0.774681464864 -2.73932532777 TCL: atom 1: phi = 0.128813422592 TCL: Center of mass = 22.8794210894 -0.774623436976 -2.73955452177 TCL: atom 1: phi = 0.129569887384 TCL: Center of mass = 22.8828770285 -0.774564341959 -2.73978356259 TCL: atom 1: phi = 0.130497591275 TCL: Center of mass = 22.8863306578 -0.774509086548 -2.74001065915 TCL: atom 1: phi = 0.131227343031 TCL: Center of mass = 22.8897745913 -0.774447770989 -2.74023543786 TCL: atom 1: phi = 0.132233062445 TCL: Center of mass = 22.8931948767 -0.774388006287 -2.74047587572 TCL: atom 1: phi = 0.133128691867 TCL: Center of mass = 22.8966182919 -0.774337194073 -2.74070804806 TCL: atom 1: phi = 0.134266191929 TCL: Center of mass = 22.9000438132 -0.774289097064 -2.74093687914 TCL: atom 1: phi = 0.135223427041 TCL: Center of mass = 22.9034766455 -0.774234906897 -2.74115952247 TCL: atom 1: phi = 0.13637905185 TCL: Center of mass = 22.9069111779 -0.774185269026 -2.74138630445 TCL: atom 1: phi = 0.137226152215 TCL: Center of mass = 22.9103395128 -0.774132097929 -2.74162187125 TCL: atom 1: phi = 0.138161037072 TCL: Center of mass = 22.9137794337 -0.774062383456 -2.74185741681 TCL: atom 1: phi = 0.138816921858 TCL: Center of mass = 22.9172302705 -0.77399466975 -2.74209742976 TCL: atom 1: phi = 0.13971377918 TIMING: 8600 CPU: 1468.56, 0.172784/step Wall: 1795.7, 0.211558/step, 0.669934 hours remaining, 21891 kB of memory in use. ENERGY: 8600 382.1020 662.1052 413.2301 42.6003 -2735.8981 -230.3143 0.0000 0.0000 1163.4878 -302.6871 317.0830 -294.5601 -293.4094 313.7396 1.8899 -160.0701 64000.0000 496.6947 503.2189 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8600 WRITING COORDINATES TO DCD FILE AT STEP 8600 WRITING COORDINATES TO RESTART FILE AT STEP 8600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 22.9206920405 -0.77392343843 -2.74233637247 TCL: atom 1: phi = 0.140508726496 TCL: Center of mass = 22.9241644008 -0.773854783094 -2.74258810771 TCL: atom 1: phi = 0.141772137551 TCL: Center of mass = 22.9276429963 -0.773796044273 -2.74283078041 TCL: atom 1: phi = 0.143060688297 TCL: Center of mass = 22.9311219255 -0.773732393439 -2.74307707474 TCL: atom 1: phi = 0.144838774462 TCL: Center of mass = 22.9346036823 -0.773676605872 -2.74332946293 TCL: atom 1: phi = 0.14646081699 TCL: Center of mass = 22.9380906207 -0.773615182745 -2.74358381113 TCL: atom 1: phi = 0.148318349737 TCL: Center of mass = 22.941584177 -0.773558165563 -2.74384759506 TCL: atom 1: phi = 0.149794699762 TCL: Center of mass = 22.94508908 -0.773508296378 -2.74409998201 TCL: atom 1: phi = 0.151326064658 TCL: Center of mass = 22.9485797452 -0.773450794988 -2.74435242352 TCL: atom 1: phi = 0.152303651709 TCL: Center of mass = 22.952060912 -0.773403188898 -2.74461490614 TCL: atom 1: phi = 0.153411814364 TCL: Center of mass = 22.955537105 -0.773368708904 -2.74488582628 TCL: atom 1: phi = 0.154137552945 TCL: Center of mass = 22.9590185015 -0.773323141611 -2.74516330522 TCL: atom 1: phi = 0.155056462458 TCL: Center of mass = 22.9625022493 -0.773278405401 -2.74544292812 TCL: atom 1: phi = 0.155660908212 TCL: Center of mass = 22.9659838201 -0.773222816868 -2.74572480926 TCL: atom 1: phi = 0.156408452017 TCL: Center of mass = 22.969463552 -0.773165976642 -2.74599782365 TCL: atom 1: phi = 0.15681852966 TCL: Center of mass = 22.9729470648 -0.773103952669 -2.74625283037 TCL: atom 1: phi = 0.157393359328 TCL: Center of mass = 22.9764394353 -0.773056919368 -2.7465075236 TCL: atom 1: phi = 0.157379325229 TCL: Center of mass = 22.9799165083 -0.773014562157 -2.74675650497 TCL: atom 1: phi = 0.157393620854 TCL: Center of mass = 22.9833854917 -0.772960362426 -2.74700331502 TCL: atom 1: phi = 0.15690002171 TCL: Center of mass = 22.9868462157 -0.772902686461 -2.74725934545 TCL: atom 1: phi = 0.156541964689 TCL: Center of mass = 22.9903131215 -0.772848006574 -2.74752546521 TCL: atom 1: phi = 0.155806494437 TCL: Center of mass = 22.9937939182 -0.772796552167 -2.74778884347 TCL: atom 1: phi = 0.155407263894 TCL: Center of mass = 22.9972843076 -0.772754343238 -2.7480436853 TCL: atom 1: phi = 0.154886798456 TCL: Center of mass = 23.0007822213 -0.772695631876 -2.74830321718 TCL: atom 1: phi = 0.15478697006 TCL: Center of mass = 23.0042806355 -0.772622578499 -2.74856859207 TCL: atom 1: phi = 0.154489599217 TCL: Center of mass = 23.0077750626 -0.772542601505 -2.74883251785 TCL: atom 1: phi = 0.15448774544 TCL: Center of mass = 23.0112712217 -0.77245991026 -2.74911466385 TCL: atom 1: phi = 0.154104436958 TCL: Center of mass = 23.0147633676 -0.772380732616 -2.74939322985 TCL: atom 1: phi = 0.153754029288 TCL: Center of mass = 23.0182656487 -0.772294916824 -2.74967057613 TCL: atom 1: phi = 0.152917006135 TCL: Center of mass = 23.0217713815 -0.772211162834 -2.74994128877 TCL: atom 1: phi = 0.152147820715 TCL: Center of mass = 23.0252875391 -0.77212085 -2.75022695264 TCL: atom 1: phi = 0.151019951781 TCL: Center of mass = 23.0288085045 -0.77203144714 -2.75051780237 TCL: atom 1: phi = 0.150134176703 TCL: Center of mass = 23.0323257782 -0.771937018488 -2.75081504436 TCL: atom 1: phi = 0.149024228643 TCL: Center of mass = 23.0358467553 -0.771855992045 -2.75111128279 TCL: atom 1: phi = 0.148263512462 TCL: Center of mass = 23.0393623322 -0.771781829617 -2.75141315879 TCL: atom 1: phi = 0.147401070137 TCL: Center of mass = 23.0428825566 -0.771701681384 -2.7517118489 TCL: atom 1: phi = 0.14685687946 TCL: Center of mass = 23.0463966095 -0.771621107882 -2.75201711821 TCL: atom 1: phi = 0.146079536546 TCL: Center of mass = 23.0499165435 -0.771538809132 -2.75232438843 TCL: atom 1: phi = 0.145450254985 TCL: Center of mass = 23.0534367427 -0.771465004439 -2.75263587997 TCL: atom 1: phi = 0.144539096095 TCL: Center of mass = 23.0569569092 -0.771391637277 -2.75295257769 TCL: atom 1: phi = 0.143781504748 TCL: Center of mass = 23.0604898021 -0.771324918621 -2.75327628158 TCL: atom 1: phi = 0.142851809364 TCL: Center of mass = 23.0640255012 -0.771255769919 -2.75360833508 TCL: atom 1: phi = 0.142251086434 TCL: Center of mass = 23.0675593186 -0.771166048202 -2.75393764387 TCL: atom 1: phi = 0.14165064218 TCL: Center of mass = 23.0710857822 -0.771081423832 -2.75426494398 TCL: atom 1: phi = 0.141511058896 TCL: Center of mass = 23.0746211025 -0.77100406746 -2.75459642635 TCL: atom 1: phi = 0.141443391231 TCL: Center of mass = 23.0781675719 -0.770926856688 -2.75492099951 TCL: atom 1: phi = 0.141710308738 TCL: Center of mass = 23.0817113633 -0.77086036394 -2.75524229254 TCL: atom 1: phi = 0.141816962889 TCL: Center of mass = 23.0852560174 -0.770793666725 -2.75556833979 TCL: atom 1: phi = 0.141993540922 TCL: Center of mass = 23.0888013688 -0.770728470103 -2.75589814958 TCL: atom 1: phi = 0.141878542593 TCL: Center of mass = 23.0923538402 -0.770661486277 -2.75622150163 TCL: atom 1: phi = 0.141744314733 TCL: Center of mass = 23.0959023291 -0.770591721413 -2.75655164392 TCL: atom 1: phi = 0.14130576183 TCL: Center of mass = 23.099439529 -0.770529119384 -2.75687895797 TCL: atom 1: phi = 0.141017186943 TCL: Center of mass = 23.1029813104 -0.770454664489 -2.7572005061 TCL: atom 1: phi = 0.140631201529 TCL: Center of mass = 23.1065228773 -0.770375358337 -2.75751364135 TCL: atom 1: phi = 0.14055838774 TCL: Center of mass = 23.1100678213 -0.77030219947 -2.75783313512 TCL: atom 1: phi = 0.140529137612 TCL: Center of mass = 23.113613119 -0.77021245794 -2.75816408606 TCL: atom 1: phi = 0.140801740888 TCL: Center of mass = 23.1171405435 -0.770125834333 -2.75849864084 TCL: atom 1: phi = 0.140956478911 TCL: Center of mass = 23.1206645558 -0.77004086101 -2.75883746619 TCL: atom 1: phi = 0.141278926097 TCL: Center of mass = 23.1241852503 -0.769954351583 -2.75917907847 TCL: atom 1: phi = 0.141454286312 TCL: Center of mass = 23.1277110555 -0.769875646862 -2.75952717306 TCL: atom 1: phi = 0.141718781225 TCL: Center of mass = 23.1312388574 -0.769779372095 -2.75988093013 TCL: atom 1: phi = 0.141890421884 TCL: Center of mass = 23.1347691702 -0.769687960206 -2.76023180327 TCL: atom 1: phi = 0.14233566167 TCL: Center of mass = 23.13830602 -0.769594000131 -2.7605663464 TCL: atom 1: phi = 0.142843071279 TCL: Center of mass = 23.1418392379 -0.769502949367 -2.76089464822 TCL: atom 1: phi = 0.143765943018 TCL: Center of mass = 23.1453682663 -0.769400276216 -2.76122694419 TCL: atom 1: phi = 0.144709509808 TCL: Center of mass = 23.1489015038 -0.769301071018 -2.76155528062 TCL: atom 1: phi = 0.145959324509 TCL: Center of mass = 23.1524215381 -0.769198924861 -2.76187422033 TCL: atom 1: phi = 0.147035767327 TCL: Center of mass = 23.1559483052 -0.769094399287 -2.76219357253 TCL: atom 1: phi = 0.148257121727 TCL: Center of mass = 23.1594656468 -0.768989340657 -2.76251413838 TCL: atom 1: phi = 0.14920526126 TCL: Center of mass = 23.1629842577 -0.768890803563 -2.76284344834 TCL: atom 1: phi = 0.150203531978 TCL: Center of mass = 23.1665074897 -0.768790567601 -2.76317085759 TCL: atom 1: phi = 0.150813437465 TCL: Center of mass = 23.1700255427 -0.768680613064 -2.76351067918 TCL: atom 1: phi = 0.151535649733 TCL: Center of mass = 23.1735494812 -0.768567041037 -2.76384306982 TCL: atom 1: phi = 0.152050982418 TCL: Center of mass = 23.1770799482 -0.768442925136 -2.76418049733 TCL: atom 1: phi = 0.15286246485 TCL: Center of mass = 23.1806121793 -0.768318565485 -2.76451998664 TCL: atom 1: phi = 0.153581858356 TCL: Center of mass = 23.1841472147 -0.768197070741 -2.76485678658 TCL: atom 1: phi = 0.154595820051 TCL: Center of mass = 23.1876837593 -0.768068254316 -2.76520606007 TCL: atom 1: phi = 0.155425638111 TCL: Center of mass = 23.1912204529 -0.76796298937 -2.76555034678 TCL: atom 1: phi = 0.156406901904 TCL: Center of mass = 23.1947565919 -0.767854075309 -2.76589207798 TCL: atom 1: phi = 0.156949569717 TCL: Center of mass = 23.1982868753 -0.767746632618 -2.76624213554 TCL: atom 1: phi = 0.157517438416 TCL: Center of mass = 23.201816946 -0.767646626791 -2.76659547325 TCL: atom 1: phi = 0.15765997332 TCL: Center of mass = 23.2053433364 -0.767542060719 -2.76695032883 TCL: atom 1: phi = 0.157982776116 TCL: Center of mass = 23.2088709588 -0.76742532955 -2.76729932237 TCL: atom 1: phi = 0.158050710127 TCL: Center of mass = 23.2123931906 -0.767325723824 -2.76765083284 TCL: atom 1: phi = 0.158444274938 TCL: Center of mass = 23.2159095207 -0.767230804145 -2.767995161 TCL: atom 1: phi = 0.158735067371 TCL: Center of mass = 23.2194274557 -0.767149276431 -2.76835221118 TCL: atom 1: phi = 0.159386357344 TCL: Center of mass = 23.2229459528 -0.76707707704 -2.76871265033 TCL: atom 1: phi = 0.159872626289 TCL: Center of mass = 23.2264585891 -0.766996823217 -2.7690713827 TCL: atom 1: phi = 0.160576930576 TCL: Center of mass = 23.2299619526 -0.766912922123 -2.769440365 TCL: atom 1: phi = 0.160916230621 TCL: Center of mass = 23.2334676024 -0.766834380683 -2.76981562035 TCL: atom 1: phi = 0.161390928795 TCL: Center of mass = 23.2369774857 -0.766749063091 -2.77018327726 TCL: atom 1: phi = 0.161486311422 TCL: Center of mass = 23.2404892926 -0.766663727338 -2.77055360431 TCL: atom 1: phi = 0.16168881756 TCL: Center of mass = 23.2440024935 -0.766577688913 -2.77093132913 TCL: atom 1: phi = 0.161661342789 TCL: Center of mass = 23.2475143056 -0.766495955967 -2.7713182617 TCL: atom 1: phi = 0.161825935655 TCL: Center of mass = 23.2510321557 -0.766404077355 -2.77170241336 TCL: atom 1: phi = 0.161961613169 TCL: Center of mass = 23.2545463382 -0.766319892328 -2.7720735358 TCL: atom 1: phi = 0.162347888354 TCL: Center of mass = 23.2580657147 -0.766242005584 -2.77243321565 TCL: atom 1: phi = 0.162625121758 TCL: Center of mass = 23.2615883853 -0.766164460532 -2.77279365646 TCL: atom 1: phi = 0.163076967804 TCL: Center of mass = 23.265117026 -0.766092112517 -2.77314538707 TCL: atom 1: phi = 0.163346891799 TCL: Center of mass = 23.2686417346 -0.76601870218 -2.77350443855 TCL: atom 1: phi = 0.163761125137 TIMING: 8700 CPU: 1486.07, 0.175173/step Wall: 1816.79, 0.210896/step, 0.661979 hours remaining, 21891 kB of memory in use. ENERGY: 8700 400.4774 665.5545 416.1350 40.2347 -2762.6300 -223.6983 0.0000 0.0000 1174.9243 -289.0025 320.1997 -280.6977 -280.1186 316.3090 407.1427 441.9555 64000.0000 481.2537 478.2710 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8700 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 TCL: Center of mass = 23.2721732634 -0.76595120033 -2.773865807 TCL: atom 1: phi = 0.16394207262 TCL: Center of mass = 23.2757153504 -0.765880063048 -2.77422651926 TCL: atom 1: phi = 0.16425319668 TCL: Center of mass = 23.2792518921 -0.765810681129 -2.7745820108 TCL: atom 1: phi = 0.164385347119 TCL: Center of mass = 23.2827911129 -0.765746458879 -2.77492517287 TCL: atom 1: phi = 0.164754808794 TCL: Center of mass = 23.2863249965 -0.765673385831 -2.77526814871 TCL: atom 1: phi = 0.164987417068 TCL: Center of mass = 23.2898602794 -0.765613120889 -2.77560993825 TCL: atom 1: phi = 0.165544880474 TCL: Center of mass = 23.2933991078 -0.765558951972 -2.77595604217 TCL: atom 1: phi = 0.165909326515 TCL: Center of mass = 23.2969462244 -0.76550207266 -2.77630055359 TCL: atom 1: phi = 0.166462605501 TCL: Center of mass = 23.3004814856 -0.765439510472 -2.77664819303 TCL: atom 1: phi = 0.166610245676 TCL: Center of mass = 23.3040169934 -0.765375396742 -2.77700505913 TCL: atom 1: phi = 0.166808115301 TCL: Center of mass = 23.3075508104 -0.765311554787 -2.77735951066 TCL: atom 1: phi = 0.166519826984 TCL: Center of mass = 23.3110859382 -0.76523674372 -2.77771008358 TCL: atom 1: phi = 0.166316858042 TCL: Center of mass = 23.3146108013 -0.765156303577 -2.77805339151 TCL: atom 1: phi = 0.165676762741 TCL: Center of mass = 23.3181350382 -0.765077829201 -2.7784038392 TCL: atom 1: phi = 0.165220775281 TCL: Center of mass = 23.3216542377 -0.764999763829 -2.77875832694 TCL: atom 1: phi = 0.164521639925 TCL: Center of mass = 23.3251651895 -0.764915858345 -2.77912125298 TCL: atom 1: phi = 0.164101809275 TCL: Center of mass = 23.3286863038 -0.764827579175 -2.77949270629 TCL: atom 1: phi = 0.163460848956 TCL: Center of mass = 23.3322075561 -0.764743934532 -2.77985702827 TCL: atom 1: phi = 0.163025121035 TCL: Center of mass = 23.3357209642 -0.764677711071 -2.78022119239 TCL: atom 1: phi = 0.16231895927 TCL: Center of mass = 23.3392419687 -0.764603377419 -2.78058701897 TCL: atom 1: phi = 0.161726561438 TCL: Center of mass = 23.3427646478 -0.764531332532 -2.780952607 TCL: atom 1: phi = 0.160862563487 TCL: Center of mass = 23.3462920899 -0.764457976509 -2.78132463765 TCL: atom 1: phi = 0.160171986625 TCL: Center of mass = 23.3498099896 -0.764393260695 -2.78169656056 TCL: atom 1: phi = 0.159339958319 TCL: Center of mass = 23.3533256919 -0.764325942361 -2.78206883596 TCL: atom 1: phi = 0.158749045903 TCL: Center of mass = 23.3568412685 -0.76425004174 -2.78244255413 TCL: atom 1: phi = 0.158110785507 TCL: Center of mass = 23.3603503544 -0.764170748973 -2.7828140106 TCL: atom 1: phi = 0.157714590149 TCL: Center of mass = 23.3638602141 -0.76408224922 -2.78319212494 TCL: atom 1: phi = 0.157190442093 TCL: Center of mass = 23.3673688015 -0.763987792104 -2.78356477954 TCL: atom 1: phi = 0.156819279085 TCL: Center of mass = 23.3708894353 -0.763892771786 -2.7839423461 TCL: atom 1: phi = 0.156169330796 TCL: Center of mass = 23.3744132058 -0.76379690504 -2.78432243221 TCL: atom 1: phi = 0.155543584752 TCL: Center of mass = 23.3779424657 -0.76370392387 -2.78469832068 TCL: atom 1: phi = 0.1545887189 TCL: Center of mass = 23.381478132 -0.763609012728 -2.78506345236 TCL: atom 1: phi = 0.153725409857 TCL: Center of mass = 23.3850104014 -0.763519394793 -2.78543307261 TCL: atom 1: phi = 0.152649107802 TCL: Center of mass = 23.3885445975 -0.763413413916 -2.78580001753 TCL: atom 1: phi = 0.151664982228 TCL: Center of mass = 23.3920767702 -0.763311322023 -2.78616346386 TCL: atom 1: phi = 0.150531745603 TCL: Center of mass = 23.3956219445 -0.763220655308 -2.78652703823 TCL: atom 1: phi = 0.149595536918 TCL: Center of mass = 23.399153227 -0.763130348126 -2.78688189216 TCL: atom 1: phi = 0.148538241395 TCL: Center of mass = 23.4026862037 -0.763042258978 -2.78724092635 TCL: atom 1: phi = 0.147697396059 TCL: Center of mass = 23.406212636 -0.762946389509 -2.78759760121 TCL: atom 1: phi = 0.146714207715 TCL: Center of mass = 23.4097431 -0.762847648767 -2.78794740569 TCL: atom 1: phi = 0.145947715342 TCL: Center of mass = 23.4132708744 -0.762744911304 -2.78829803456 TCL: atom 1: phi = 0.145062986083 TCL: Center of mass = 23.4167822657 -0.762640350069 -2.78864718384 TCL: atom 1: phi = 0.144436638849 TCL: Center of mass = 23.4203163481 -0.76254117573 -2.78898901021 TCL: atom 1: phi = 0.143732580824 TCL: Center of mass = 23.4238598217 -0.76244154798 -2.78932198713 TCL: atom 1: phi = 0.143355243287 TCL: Center of mass = 23.427405788 -0.76233255432 -2.78965566131 TCL: atom 1: phi = 0.142911917522 TCL: Center of mass = 23.4309467324 -0.762219796154 -2.78999557481 TCL: atom 1: phi = 0.142780028174 TCL: Center of mass = 23.4344923365 -0.762113374071 -2.79033433674 TCL: atom 1: phi = 0.142579494586 TCL: Center of mass = 23.4380326116 -0.762013230284 -2.79068114433 TCL: atom 1: phi = 0.142634356403 TCL: Center of mass = 23.441553388 -0.761907996934 -2.79103222719 TCL: atom 1: phi = 0.142530777701 TCL: Center of mass = 23.4450690541 -0.761802794028 -2.79137926708 TCL: atom 1: phi = 0.14266221987 TCL: Center of mass = 23.4485826598 -0.761698567226 -2.79172042872 TCL: atom 1: phi = 0.142514067389 TCL: Center of mass = 23.4521017818 -0.761588531362 -2.79206680608 TCL: atom 1: phi = 0.142537979145 TCL: Center of mass = 23.4556178629 -0.76149294622 -2.79241324842 TCL: atom 1: phi = 0.142323337922 TCL: Center of mass = 23.459140301 -0.761394239469 -2.79276345568 TCL: atom 1: phi = 0.142293743593 TCL: Center of mass = 23.4626517465 -0.761294285616 -2.79309889094 TCL: atom 1: phi = 0.141944700975 TCL: Center of mass = 23.4661695262 -0.76119649156 -2.79344411137 TCL: atom 1: phi = 0.141867519036 TCL: Center of mass = 23.4696852984 -0.761100021028 -2.79379732917 TCL: atom 1: phi = 0.141467224317 TCL: Center of mass = 23.4731937015 -0.761009410345 -2.79415329336 TCL: atom 1: phi = 0.141291473724 TCL: Center of mass = 23.4767176624 -0.760919463851 -2.79450928976 TCL: atom 1: phi = 0.14080420326 TCL: Center of mass = 23.4802419547 -0.76081076476 -2.79485765015 TCL: atom 1: phi = 0.140594140269 TCL: Center of mass = 23.4837719068 -0.760698614535 -2.79520227996 TCL: atom 1: phi = 0.140116314964 TCL: Center of mass = 23.4872987943 -0.760587043383 -2.79554419323 TCL: atom 1: phi = 0.140053387972 TCL: Center of mass = 23.4908302572 -0.760484238597 -2.79588858976 TCL: atom 1: phi = 0.139716212569 TCL: Center of mass = 23.4943590799 -0.760389690558 -2.79623421417 TCL: atom 1: phi = 0.139697782074 TCL: Center of mass = 23.4978827291 -0.760307512723 -2.79658287321 TCL: atom 1: phi = 0.139329239879 TCL: Center of mass = 23.5014061307 -0.760233262148 -2.7969298087 TCL: atom 1: phi = 0.139305093221 TCL: Center of mass = 23.5049248549 -0.760169930667 -2.79726972812 TCL: atom 1: phi = 0.138864201034 TCL: Center of mass = 23.5084372051 -0.76009655066 -2.79761650621 TCL: atom 1: phi = 0.13875713622 TCL: Center of mass = 23.5119437634 -0.76003158191 -2.79795563501 TCL: atom 1: phi = 0.138231238952 TCL: Center of mass = 23.5154623164 -0.759968971058 -2.79828970412 TCL: atom 1: phi = 0.137997144484 TCL: Center of mass = 23.5189677765 -0.759906786949 -2.79862287841 TCL: atom 1: phi = 0.137351118012 TCL: Center of mass = 23.522470596 -0.759836610128 -2.79895097042 TCL: atom 1: phi = 0.137019547507 TCL: Center of mass = 23.5259684766 -0.759762279576 -2.79928212881 TCL: atom 1: phi = 0.136233778833 TCL: Center of mass = 23.5294863838 -0.759686058228 -2.79961143778 TCL: atom 1: phi = 0.135675289676 TCL: Center of mass = 23.5329990176 -0.7596186532 -2.79994548294 TCL: atom 1: phi = 0.134781884592 TCL: Center of mass = 23.5365193384 -0.759552575835 -2.80027847137 TCL: atom 1: phi = 0.134186432782 TCL: Center of mass = 23.5400303077 -0.759486822061 -2.80062232695 TCL: atom 1: phi = 0.133277444652 TCL: Center of mass = 23.5435403369 -0.759418198955 -2.80096748921 TCL: atom 1: phi = 0.132716471633 TCL: Center of mass = 23.5470669044 -0.759345041943 -2.80131841635 TCL: atom 1: phi = 0.131940514947 TCL: Center of mass = 23.5505918682 -0.759273772533 -2.80165895308 TCL: atom 1: phi = 0.131506145392 TCL: Center of mass = 23.5541072711 -0.759213978117 -2.80200697267 TCL: atom 1: phi = 0.130918898817 TCL: Center of mass = 23.5576215437 -0.759152924263 -2.8023503432 TCL: atom 1: phi = 0.130710177505 TCL: Center of mass = 23.5611348535 -0.759087489971 -2.80270093578 TCL: atom 1: phi = 0.130389987428 TCL: Center of mass = 23.5646462148 -0.759024058028 -2.80305256947 TCL: atom 1: phi = 0.130413765248 TCL: Center of mass = 23.5681499727 -0.758961044142 -2.8034074801 TCL: atom 1: phi = 0.130308220476 TCL: Center of mass = 23.5716553346 -0.758898031404 -2.8037586046 TCL: atom 1: phi = 0.130546004202 TCL: Center of mass = 23.5751530356 -0.758832814637 -2.80411826917 TCL: atom 1: phi = 0.13059044478 TCL: Center of mass = 23.5786471155 -0.758764561869 -2.80446672289 TCL: atom 1: phi = 0.130863782087 TCL: Center of mass = 23.5821361738 -0.758699900862 -2.80482135425 TCL: atom 1: phi = 0.130842346707 TCL: Center of mass = 23.5856136571 -0.758618252841 -2.80516772672 TCL: atom 1: phi = 0.130979660377 TCL: Center of mass = 23.5890931602 -0.758536676122 -2.80551984736 TCL: atom 1: phi = 0.130785282904 TCL: Center of mass = 23.5925728144 -0.758450971543 -2.8058709152 TCL: atom 1: phi = 0.130783917684 TCL: Center of mass = 23.5960494208 -0.758369274325 -2.80621281299 TCL: atom 1: phi = 0.13044254047 TCL: Center of mass = 23.5995166758 -0.758288456854 -2.80656081661 TCL: atom 1: phi = 0.13024784133 TCL: Center of mass = 23.6029916329 -0.758222754331 -2.80691190912 TCL: atom 1: phi = 0.129814149677 TCL: Center of mass = 23.6064602216 -0.758159869399 -2.80725923089 TCL: atom 1: phi = 0.129623820689 TCL: Center of mass = 23.6099315249 -0.75810413656 -2.80759943326 TCL: atom 1: phi = 0.129330242855 TCL: Center of mass = 23.6133977251 -0.758054480391 -2.8079495265 TCL: atom 1: phi = 0.129307173984 TCL: Center of mass = 23.6168660995 -0.758009616305 -2.80830073801 TCL: atom 1: phi = 0.129114879861 TCL: Center of mass = 23.620321337 -0.75796099714 -2.8086531724 TCL: atom 1: phi = 0.129133748004 TIMING: 8800 CPU: 1503.48, 0.174064/step Wall: 1837.95, 0.211618/step, 0.658366 hours remaining, 21945 kB of memory in use. ENERGY: 8800 401.6591 667.9440 407.5911 38.5510 -2747.3470 -234.3885 0.0000 0.0000 1170.4585 -295.5318 318.9827 -287.6308 -285.0371 315.3955 -542.1860 -81.1339 64000.0000 441.7268 440.7241 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8800 WRITING COORDINATES TO DCD FILE AT STEP 8800 WRITING COORDINATES TO RESTART FILE AT STEP 8800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.6237823575 -0.757901996495 -2.80900575 TCL: atom 1: phi = 0.128988601527 TCL: Center of mass = 23.6272355255 -0.757845478287 -2.80936687651 TCL: atom 1: phi = 0.129116903393 TCL: Center of mass = 23.6306888514 -0.757796601318 -2.8097310315 TCL: atom 1: phi = 0.129133591304 TCL: Center of mass = 23.6341370188 -0.757743381185 -2.81009959748 TCL: atom 1: phi = 0.12940961387 TCL: Center of mass = 23.6375856625 -0.75769443083 -2.81046053857 TCL: atom 1: phi = 0.129578994312 TCL: Center of mass = 23.6410435342 -0.757648435945 -2.81081797776 TCL: atom 1: phi = 0.130011560768 TCL: Center of mass = 23.644502079 -0.757598762609 -2.81117457756 TCL: atom 1: phi = 0.130387700736 TCL: Center of mass = 23.6479645936 -0.757557215029 -2.81154361761 TCL: atom 1: phi = 0.131031364735 TCL: Center of mass = 23.6514369969 -0.757509244053 -2.81191144459 TCL: atom 1: phi = 0.1315309525 TCL: Center of mass = 23.6549131049 -0.757456321479 -2.81228603901 TCL: atom 1: phi = 0.132201376445 TCL: Center of mass = 23.6583923097 -0.757403114628 -2.81266088587 TCL: atom 1: phi = 0.132662891122 TCL: Center of mass = 23.6618749137 -0.757350071087 -2.81304758924 TCL: atom 1: phi = 0.133200930054 TCL: Center of mass = 23.6653528057 -0.757297457795 -2.81343820206 TCL: atom 1: phi = 0.133471275022 TCL: Center of mass = 23.6688302505 -0.757240758723 -2.81382358381 TCL: atom 1: phi = 0.133787584978 TCL: Center of mass = 23.6723014165 -0.75717486477 -2.81420067131 TCL: atom 1: phi = 0.133912644814 TCL: Center of mass = 23.675771113 -0.757109402454 -2.81457427184 TCL: atom 1: phi = 0.134226271306 TCL: Center of mass = 23.6792396456 -0.757038161357 -2.81495120848 TCL: atom 1: phi = 0.13445328582 TCL: Center of mass = 23.6826996324 -0.756965800093 -2.8153243458 TCL: atom 1: phi = 0.13489254317 TCL: Center of mass = 23.6861650179 -0.756889414096 -2.81568543759 TCL: atom 1: phi = 0.135344334575 TCL: Center of mass = 23.6896316498 -0.756804749308 -2.81603834125 TCL: atom 1: phi = 0.135983058846 TCL: Center of mass = 23.6930977537 -0.7567252592 -2.81639092125 TCL: atom 1: phi = 0.136525760096 TCL: Center of mass = 23.6965666464 -0.756647386224 -2.81674173567 TCL: atom 1: phi = 0.137275467743 TCL: Center of mass = 23.7000385364 -0.75657207893 -2.81709818566 TCL: atom 1: phi = 0.137914042373 TCL: Center of mass = 23.7035168618 -0.756495778136 -2.81745235758 TCL: atom 1: phi = 0.138679040491 TCL: Center of mass = 23.7069934964 -0.756402821992 -2.81779768938 TCL: atom 1: phi = 0.139319175294 TCL: Center of mass = 23.7104757376 -0.756316391575 -2.8181438482 TCL: atom 1: phi = 0.140108099477 TCL: Center of mass = 23.7139467827 -0.756223819422 -2.81848638101 TCL: atom 1: phi = 0.140740468319 TCL: Center of mass = 23.7174159862 -0.756130007126 -2.81884147139 TCL: atom 1: phi = 0.141571640495 TCL: Center of mass = 23.7208941297 -0.756037347581 -2.81920352261 TCL: atom 1: phi = 0.142228745867 TCL: Center of mass = 23.7243625782 -0.755948103885 -2.8195521545 TCL: atom 1: phi = 0.143012878181 TCL: Center of mass = 23.7278291273 -0.755859162212 -2.81991387311 TCL: atom 1: phi = 0.143549867262 TCL: Center of mass = 23.7312935561 -0.755782350548 -2.82028822537 TCL: atom 1: phi = 0.144122368804 TCL: Center of mass = 23.7347633849 -0.755711283732 -2.82066074442 TCL: atom 1: phi = 0.144422007299 TCL: Center of mass = 23.7382289819 -0.755658988441 -2.82104375799 TCL: atom 1: phi = 0.144720403299 TCL: Center of mass = 23.7416850196 -0.755611713457 -2.82143304115 TCL: atom 1: phi = 0.144803855936 TCL: Center of mass = 23.7451367211 -0.755568225085 -2.82183377264 TCL: atom 1: phi = 0.14495157604 TCL: Center of mass = 23.7485855371 -0.755528055933 -2.82222857404 TCL: atom 1: phi = 0.144840964885 TCL: Center of mass = 23.7520339587 -0.755490023034 -2.82262184052 TCL: atom 1: phi = 0.144899269254 TCL: Center of mass = 23.7554797798 -0.755445056325 -2.82299993354 TCL: atom 1: phi = 0.144810998605 TCL: Center of mass = 23.758924516 -0.755384103778 -2.82337812714 TCL: atom 1: phi = 0.144906325436 TCL: Center of mass = 23.762372461 -0.755324733597 -2.82375761938 TCL: atom 1: phi = 0.144871567547 TCL: Center of mass = 23.7658148875 -0.755260515413 -2.82414058374 TCL: atom 1: phi = 0.144999366816 TCL: Center of mass = 23.7692614931 -0.755195865269 -2.82452354984 TCL: atom 1: phi = 0.145009926039 TCL: Center of mass = 23.7726951324 -0.755142855463 -2.82490177314 TCL: atom 1: phi = 0.145089284455 TCL: Center of mass = 23.776132009 -0.755084648082 -2.8252837869 TCL: atom 1: phi = 0.144982485225 TCL: Center of mass = 23.7795618134 -0.755026110435 -2.82565237997 TCL: atom 1: phi = 0.144966131169 TCL: Center of mass = 23.7829950051 -0.754978541117 -2.82603153363 TCL: atom 1: phi = 0.144758158634 TCL: Center of mass = 23.786424158 -0.754935367871 -2.82640763965 TCL: atom 1: phi = 0.144642283444 TCL: Center of mass = 23.7898543023 -0.75489581083 -2.82679170544 TCL: atom 1: phi = 0.144312921665 TCL: Center of mass = 23.793291776 -0.754865078182 -2.82716384625 TCL: atom 1: phi = 0.14407990898 TCL: Center of mass = 23.7967271265 -0.754803575136 -2.82753678927 TCL: atom 1: phi = 0.143704661502 TCL: Center of mass = 23.8001682856 -0.754734566884 -2.82789348264 TCL: atom 1: phi = 0.143452747761 TCL: Center of mass = 23.8036129536 -0.754678972482 -2.82825768287 TCL: atom 1: phi = 0.142977278377 TCL: Center of mass = 23.8070545062 -0.754630880955 -2.82862058341 TCL: atom 1: phi = 0.142602563927 TCL: Center of mass = 23.8104868472 -0.754575741074 -2.82898342896 TCL: atom 1: phi = 0.142018831463 TCL: Center of mass = 23.8139257707 -0.75452813652 -2.82934096754 TCL: atom 1: phi = 0.141549023856 TCL: Center of mass = 23.8173623828 -0.754483177271 -2.8297002925 TCL: atom 1: phi = 0.140900937603 TCL: Center of mass = 23.8208008438 -0.754432926805 -2.83006454433 TCL: atom 1: phi = 0.140383273728 TCL: Center of mass = 23.8242354749 -0.754389873921 -2.83041376782 TCL: atom 1: phi = 0.139847365206 TCL: Center of mass = 23.8276703355 -0.754357046814 -2.83075884853 TCL: atom 1: phi = 0.139597861373 TCL: Center of mass = 23.8311119984 -0.754321950173 -2.83110348492 TCL: atom 1: phi = 0.139385689959 TCL: Center of mass = 23.8345486445 -0.754281364755 -2.83145244971 TCL: atom 1: phi = 0.139483877322 TCL: Center of mass = 23.8379735877 -0.754242268495 -2.83180686437 TCL: atom 1: phi = 0.139625196895 TCL: Center of mass = 23.8413891704 -0.754199404185 -2.83215189582 TCL: atom 1: phi = 0.140050792948 TCL: Center of mass = 23.8448106447 -0.754142344434 -2.83248729347 TCL: atom 1: phi = 0.140409945686 TCL: Center of mass = 23.8482293917 -0.754075994964 -2.8328271699 TCL: atom 1: phi = 0.141017413492 TCL: Center of mass = 23.8516432022 -0.754007975106 -2.83318392725 TCL: atom 1: phi = 0.141549410744 TCL: Center of mass = 23.8550529999 -0.753939678824 -2.83354068799 TCL: atom 1: phi = 0.142267762917 TCL: Center of mass = 23.8584734734 -0.753881752198 -2.83389096243 TCL: atom 1: phi = 0.142894076867 TCL: Center of mass = 23.8618998542 -0.75381630595 -2.83423222356 TCL: atom 1: phi = 0.143717273362 TCL: Center of mass = 23.8653262062 -0.753751858707 -2.83457073368 TCL: atom 1: phi = 0.144427058513 TCL: Center of mass = 23.8687385787 -0.753683426983 -2.83492618177 TCL: atom 1: phi = 0.145328814381 TCL: Center of mass = 23.8721515355 -0.753616578189 -2.83527695581 TCL: atom 1: phi = 0.146086831314 TCL: Center of mass = 23.8755623026 -0.753538653274 -2.83563350848 TCL: atom 1: phi = 0.146974800274 TCL: Center of mass = 23.8789639293 -0.753449248322 -2.83598415623 TCL: atom 1: phi = 0.147618420343 TCL: Center of mass = 23.8823667541 -0.75335493819 -2.83633327611 TCL: atom 1: phi = 0.14831022243 TCL: Center of mass = 23.8857725829 -0.753262831888 -2.83667792233 TCL: atom 1: phi = 0.148645392835 TCL: Center of mass = 23.8891898346 -0.753155877765 -2.83702185351 TCL: atom 1: phi = 0.149137098558 TCL: Center of mass = 23.8925998414 -0.753049719688 -2.83737642521 TCL: atom 1: phi = 0.149405933089 TCL: Center of mass = 23.8960160793 -0.752926090429 -2.83772262541 TCL: atom 1: phi = 0.149900522094 TCL: Center of mass = 23.8994340699 -0.752809501552 -2.838057836 TCL: atom 1: phi = 0.15020507058 TCL: Center of mass = 23.9028603074 -0.752700945447 -2.83839241088 TCL: atom 1: phi = 0.150755729365 TCL: Center of mass = 23.9062887149 -0.752584364352 -2.83872191359 TCL: atom 1: phi = 0.151071198051 TCL: Center of mass = 23.9097232903 -0.752459542843 -2.83905343719 TCL: atom 1: phi = 0.151603800828 TCL: Center of mass = 23.9131607445 -0.752341677966 -2.83939372103 TCL: atom 1: phi = 0.151804277198 TCL: Center of mass = 23.9166142559 -0.752213395679 -2.83973100321 TCL: atom 1: phi = 0.152071351307 TCL: Center of mass = 23.9200629441 -0.752091821185 -2.84005050868 TCL: atom 1: phi = 0.151964222684 TCL: Center of mass = 23.9235028257 -0.751980117246 -2.8403757396 TCL: atom 1: phi = 0.152023585407 TCL: Center of mass = 23.9269387721 -0.751872256252 -2.84070052791 TCL: atom 1: phi = 0.151802273499 TCL: Center of mass = 23.930372314 -0.75176096337 -2.84101636439 TCL: atom 1: phi = 0.151740955039 TCL: Center of mass = 23.933807906 -0.751652305091 -2.84132172443 TCL: atom 1: phi = 0.151506465013 TCL: Center of mass = 23.937249085 -0.751528112966 -2.84163477676 TCL: atom 1: phi = 0.151525571203 TCL: Center of mass = 23.9406967396 -0.751402870059 -2.84195635642 TCL: atom 1: phi = 0.151342805376 TCL: Center of mass = 23.944146822 -0.751267783713 -2.84228234966 TCL: atom 1: phi = 0.15136841977 TCL: Center of mass = 23.9475974852 -0.751130805214 -2.8426053623 TCL: atom 1: phi = 0.151141155531 TCL: Center of mass = 23.9510572013 -0.750987799927 -2.84293586676 TCL: atom 1: phi = 0.151107751007 TCL: Center of mass = 23.9545090744 -0.750845787427 -2.84327468083 TCL: atom 1: phi = 0.150803973061 TCL: Center of mass = 23.9579377855 -0.750706503126 -2.84360842423 TCL: atom 1: phi = 0.150671756824 TCL: Center of mass = 23.9613509908 -0.750580030532 -2.84393770457 TCL: atom 1: phi = 0.150279243337 TCL: Center of mass = 23.9647719139 -0.750445017084 -2.84426785271 TCL: atom 1: phi = 0.150177115486 TIMING: 8900 CPU: 1520.75, 0.172674/step Wall: 1859.1, 0.211492/step, 0.6521 hours remaining, 21945 kB of memory in use. ENERGY: 8900 399.7955 683.7363 405.7969 35.9358 -2746.6647 -222.3351 0.0000 0.0000 1150.6612 -293.0741 313.5874 -284.8321 -283.8164 317.7041 265.4067 631.9257 64000.0000 527.1065 529.2819 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 8900 WRITING COORDINATES TO DCD FILE AT STEP 8900 WRITING COORDINATES TO RESTART FILE AT STEP 8900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 8900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 23.9681980674 -0.750318260635 -2.84459413735 TCL: atom 1: phi = 0.149927025382 TCL: Center of mass = 23.9716244488 -0.750183949285 -2.84492223763 TCL: atom 1: phi = 0.149997010425 TCL: Center of mass = 23.9750723943 -0.75005173163 -2.84524556972 TCL: atom 1: phi = 0.149871782932 TCL: Center of mass = 23.9785179505 -0.749919649343 -2.84557511858 TCL: atom 1: phi = 0.15001097528 TCL: Center of mass = 23.981965741 -0.749792577888 -2.84591894747 TCL: atom 1: phi = 0.149854206831 TCL: Center of mass = 23.9854127125 -0.749655611281 -2.84626618425 TCL: atom 1: phi = 0.149843908894 TCL: Center of mass = 23.9888631444 -0.749514255212 -2.84661707013 TCL: atom 1: phi = 0.149452579437 TCL: Center of mass = 23.9923102203 -0.749359970405 -2.84696015719 TCL: atom 1: phi = 0.149176453881 TCL: Center of mass = 23.9957556381 -0.749200502964 -2.84730674608 TCL: atom 1: phi = 0.148501093018 TCL: Center of mass = 23.999205561 -0.749033183553 -2.84766023101 TCL: atom 1: phi = 0.148011230148 TCL: Center of mass = 24.002658158 -0.74887078235 -2.84802090907 TCL: atom 1: phi = 0.147203737532 TCL: Center of mass = 24.0061078564 -0.74871342067 -2.84836979907 TCL: atom 1: phi = 0.146642237543 TCL: Center of mass = 24.0095578181 -0.74856165505 -2.84872789873 TCL: atom 1: phi = 0.145835572357 TCL: Center of mass = 24.0130038602 -0.748404056908 -2.84907684061 TCL: atom 1: phi = 0.145245113878 TCL: Center of mass = 24.0164521992 -0.748244757726 -2.84941642146 TCL: atom 1: phi = 0.144423951746 TCL: Center of mass = 24.0198969841 -0.748080555544 -2.84976679481 TCL: atom 1: phi = 0.143829324067 TCL: Center of mass = 24.0233434883 -0.74792377275 -2.85009978633 TCL: atom 1: phi = 0.142961316458 TCL: Center of mass = 24.0267765764 -0.747755579909 -2.85042453799 TCL: atom 1: phi = 0.142401270142 TCL: Center of mass = 24.0302019626 -0.747576425732 -2.85074632155 TCL: atom 1: phi = 0.141663592525 TCL: Center of mass = 24.0336265559 -0.747396403807 -2.85107857383 TCL: atom 1: phi = 0.14123905635 TCL: Center of mass = 24.0370370297 -0.74720977188 -2.85140484948 TCL: atom 1: phi = 0.140733981282 TCL: Center of mass = 24.0404403294 -0.747034447476 -2.85171721645 TCL: atom 1: phi = 0.14058520837 TCL: Center of mass = 24.0438505954 -0.746849731342 -2.85202707884 TCL: atom 1: phi = 0.14038076923 TCL: Center of mass = 24.0472586751 -0.746664751973 -2.85234408653 TCL: atom 1: phi = 0.140518455642 TCL: Center of mass = 24.0506658948 -0.746473848732 -2.85267354801 TCL: atom 1: phi = 0.140546392819 TCL: Center of mass = 24.0540798568 -0.746284674862 -2.85301043791 TCL: atom 1: phi = 0.140857327793 TCL: Center of mass = 24.0575016041 -0.746101979107 -2.85334876327 TCL: atom 1: phi = 0.140988784949 TCL: Center of mass = 24.06092069 -0.745922144808 -2.85369099482 TCL: atom 1: phi = 0.141388118414 TCL: Center of mass = 24.0643489442 -0.74574227141 -2.85403489276 TCL: atom 1: phi = 0.141529433125 TCL: Center of mass = 24.067787498 -0.745561958418 -2.85437311955 TCL: atom 1: phi = 0.141903004797 TCL: Center of mass = 24.0712209501 -0.745386412803 -2.85470398288 TCL: atom 1: phi = 0.14215047573 TCL: Center of mass = 24.0746477532 -0.745195000903 -2.85503056168 TCL: atom 1: phi = 0.142676550802 TCL: Center of mass = 24.0780753289 -0.744995770831 -2.85535274021 TCL: atom 1: phi = 0.143031686778 TCL: Center of mass = 24.0814976172 -0.744798538094 -2.85568260988 TCL: atom 1: phi = 0.143678209043 TCL: Center of mass = 24.0849286777 -0.744599847453 -2.85600453109 TCL: atom 1: phi = 0.144175335072 TCL: Center of mass = 24.0883788983 -0.744400055096 -2.85631387035 TCL: atom 1: phi = 0.144938309211 TCL: Center of mass = 24.0918283942 -0.744212940891 -2.85663235387 TCL: atom 1: phi = 0.145409682979 TCL: Center of mass = 24.0952894046 -0.744026851847 -2.85695053863 TCL: atom 1: phi = 0.146115280601 TCL: Center of mass = 24.0987519282 -0.743823922989 -2.85726978382 TCL: atom 1: phi = 0.146546817547 TCL: Center of mass = 24.1022206433 -0.743618020873 -2.85758755967 TCL: atom 1: phi = 0.147331284198 TCL: Center of mass = 24.1056862739 -0.743423376578 -2.8578964595 TCL: atom 1: phi = 0.147921562031 TCL: Center of mass = 24.1091494063 -0.743224923479 -2.85821376567 TCL: atom 1: phi = 0.148888195195 TCL: Center of mass = 24.1126151679 -0.743031286635 -2.85853881021 TCL: atom 1: phi = 0.149619440069 TCL: Center of mass = 24.1160794774 -0.742839049696 -2.85886335076 TCL: atom 1: phi = 0.15070851309 TCL: Center of mass = 24.1195360538 -0.74265287692 -2.85919557539 TCL: atom 1: phi = 0.151332648551 TCL: Center of mass = 24.1229858772 -0.742479436292 -2.8595272494 TCL: atom 1: phi = 0.152193155386 TCL: Center of mass = 24.126437143 -0.742301491555 -2.85986385039 TCL: atom 1: phi = 0.152502479396 TCL: Center of mass = 24.1298792109 -0.742134964216 -2.8602024325 TCL: atom 1: phi = 0.152975394133 TCL: Center of mass = 24.1333050791 -0.74196064207 -2.86053600113 TCL: atom 1: phi = 0.152868600039 TCL: Center of mass = 24.1367328634 -0.741791908866 -2.86086223745 TCL: atom 1: phi = 0.152993516993 TCL: Center of mass = 24.1401557676 -0.741621037521 -2.8611785534 TCL: atom 1: phi = 0.152634988195 TCL: Center of mass = 24.1435839176 -0.741451363187 -2.86150291541 TCL: atom 1: phi = 0.152639660809 TCL: Center of mass = 24.1470212479 -0.741285034163 -2.86182250815 TCL: atom 1: phi = 0.152208643862 TCL: Center of mass = 24.1504555198 -0.741119520948 -2.86213908984 TCL: atom 1: phi = 0.152185467759 TCL: Center of mass = 24.1538932501 -0.740961979272 -2.86245154146 TCL: atom 1: phi = 0.151724082606 TCL: Center of mass = 24.1573327012 -0.740803737944 -2.86276395689 TCL: atom 1: phi = 0.151548738076 TCL: Center of mass = 24.1607663383 -0.74065096763 -2.86309458042 TCL: atom 1: phi = 0.150843131661 TCL: Center of mass = 24.1642065316 -0.740497555622 -2.86342405061 TCL: atom 1: phi = 0.15038586679 TCL: Center of mass = 24.167645096 -0.740316694239 -2.86376033551 TCL: atom 1: phi = 0.149500898777 TCL: Center of mass = 24.1710724542 -0.740124119704 -2.86410040553 TCL: atom 1: phi = 0.148998773403 TCL: Center of mass = 24.1744991431 -0.739927639679 -2.86444259813 TCL: atom 1: phi = 0.14821451843 TCL: Center of mass = 24.1779168266 -0.739734658398 -2.86479173731 TCL: atom 1: phi = 0.147921530612 TCL: Center of mass = 24.1813391443 -0.73954554078 -2.86512916135 TCL: atom 1: phi = 0.147434185613 TCL: Center of mass = 24.1847527892 -0.739355898141 -2.86547214419 TCL: atom 1: phi = 0.147407959351 TCL: Center of mass = 24.1881678277 -0.739177043493 -2.86581823095 TCL: atom 1: phi = 0.147119542138 TCL: Center of mass = 24.1915958521 -0.738994684343 -2.86616837174 TCL: atom 1: phi = 0.147151485559 TCL: Center of mass = 24.1950249613 -0.738820633934 -2.8665333679 TCL: atom 1: phi = 0.146790408395 TCL: Center of mass = 24.1984669377 -0.738649014754 -2.86689521933 TCL: atom 1: phi = 0.146626146268 TCL: Center of mass = 24.2018952099 -0.738466087159 -2.86727354857 TCL: atom 1: phi = 0.146075440197 TCL: Center of mass = 24.205317761 -0.738282950909 -2.86766766934 TCL: atom 1: phi = 0.145797576691 TCL: Center of mass = 24.2087369209 -0.738101485593 -2.86808182677 TCL: atom 1: phi = 0.145345658982 TCL: Center of mass = 24.2121440941 -0.737913688942 -2.86849067318 TCL: atom 1: phi = 0.145301036501 TCL: Center of mass = 24.2155546651 -0.737717457675 -2.86890049149 TCL: atom 1: phi = 0.145146619872 TCL: Center of mass = 24.2189608616 -0.737526564144 -2.86930955152 TCL: atom 1: phi = 0.145421002989 TCL: Center of mass = 24.2223613833 -0.737328983364 -2.86973370213 TCL: atom 1: phi = 0.145512798247 TCL: Center of mass = 24.2257655749 -0.737125585 -2.87016646744 TCL: atom 1: phi = 0.145847499052 TCL: Center of mass = 24.2291719765 -0.736902747769 -2.87060128849 TCL: atom 1: phi = 0.145870950368 TCL: Center of mass = 24.2325776932 -0.736676746614 -2.87102377375 TCL: atom 1: phi = 0.145998413517 TCL: Center of mass = 24.2359900162 -0.736449544311 -2.87144218994 TCL: atom 1: phi = 0.145782111286 TCL: Center of mass = 24.239408253 -0.73622368573 -2.87186147668 TCL: atom 1: phi = 0.145740807069 TCL: Center of mass = 24.2428255076 -0.735994685339 -2.87227266799 TCL: atom 1: phi = 0.145413621296 TCL: Center of mass = 24.246231666 -0.735760999083 -2.87267692582 TCL: atom 1: phi = 0.145303419949 TCL: Center of mass = 24.2496417929 -0.735524852151 -2.87307488607 TCL: atom 1: phi = 0.145116308702 TCL: Center of mass = 24.2530428405 -0.735292721455 -2.87345871497 TCL: atom 1: phi = 0.145202842651 TCL: Center of mass = 24.2564392399 -0.735060740389 -2.87384704124 TCL: atom 1: phi = 0.145180215464 TCL: Center of mass = 24.259835868 -0.734822023683 -2.87423386337 TCL: atom 1: phi = 0.145355688027 TCL: Center of mass = 24.2632177895 -0.734580342936 -2.8746131606 TCL: atom 1: phi = 0.145309969065 TCL: Center of mass = 24.266592263 -0.734342246237 -2.87499385925 TCL: atom 1: phi = 0.145318455788 TCL: Center of mass = 24.2699604246 -0.734106625587 -2.87537677133 TCL: atom 1: phi = 0.144962894895 TCL: Center of mass = 24.2733366226 -0.733865491339 -2.87577184302 TCL: atom 1: phi = 0.144748774996 TCL: Center of mass = 24.2767071063 -0.733619913321 -2.87617655284 TCL: atom 1: phi = 0.1443987698 TCL: Center of mass = 24.2800758467 -0.733365375216 -2.87656922129 TCL: atom 1: phi = 0.144370531184 TCL: Center of mass = 24.2834501827 -0.73310986031 -2.87694677915 TCL: atom 1: phi = 0.144340835756 TCL: Center of mass = 24.2868277252 -0.732845428192 -2.87731863897 TCL: atom 1: phi = 0.144730391367 TCL: Center of mass = 24.2901977953 -0.732581745448 -2.87769133863 TCL: atom 1: phi = 0.145161477581 TCL: Center of mass = 24.2935714918 -0.732317736408 -2.8780604774 TCL: atom 1: phi = 0.145894189929 TCL: Center of mass = 24.2969483105 -0.732068453807 -2.87843852561 TCL: atom 1: phi = 0.146495250828 TCL: Center of mass = 24.3003256669 -0.73182346406 -2.8788094233 TCL: atom 1: phi = 0.147257066877 TCL: Center of mass = 24.3036978501 -0.731569665194 -2.87918979349 TCL: atom 1: phi = 0.147797488647 TCL: Center of mass = 24.3070812201 -0.731321714583 -2.87956309314 TCL: atom 1: phi = 0.148439654914 TIMING: 9000 CPU: 1538.01, 0.172634/step Wall: 1880.24, 0.211398/step, 0.645939 hours remaining, 21956 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 404.5390 672.7124 413.7366 40.0497 -2787.9862 -178.2650 0.0000 0.0000 1124.0813 -311.1322 306.3436 -302.8614 -301.5895 314.6363 1122.6711 1172.5855 64000.0000 754.7687 746.6707 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 = 24.3104653034 -0.731070693024 -2.87993781194 TCL: atom 1: phi = 0.14891156402 TCL: Center of mass = 24.3138403531 -0.73081476044 -2.88031944071 TCL: atom 1: phi = 0.149645116185 TCL: Center of mass = 24.3172070096 -0.730556533924 -2.88069561673 TCL: atom 1: phi = 0.15036960416 TCL: Center of mass = 24.3205985756 -0.730305022586 -2.88106282907 TCL: atom 1: phi = 0.151346638448 TCL: Center of mass = 24.3239920178 -0.730052863064 -2.88142213143 TCL: atom 1: phi = 0.152258316112 TCL: Center of mass = 24.3273914048 -0.729800273587 -2.88178703604 TCL: atom 1: phi = 0.153370825941 TCL: Center of mass = 24.3307915734 -0.729535170799 -2.88215985497 TCL: atom 1: phi = 0.154248985807 TCL: Center of mass = 24.3342026258 -0.729268458605 -2.88253426542 TCL: atom 1: phi = 0.15516417452 TCL: Center of mass = 24.3376097341 -0.728998795206 -2.88290085321 TCL: atom 1: phi = 0.155648660761 TCL: Center of mass = 24.3410124645 -0.728722371238 -2.8832605654 TCL: atom 1: phi = 0.156106904365 TCL: Center of mass = 24.3444219677 -0.728459161316 -2.8836144085 TCL: atom 1: phi = 0.156218673514 TCL: Center of mass = 24.347832892 -0.728205476747 -2.88397297345 TCL: atom 1: phi = 0.156413403169 TCL: Center of mass = 24.351242627 -0.727950635207 -2.88432123508 TCL: atom 1: phi = 0.156374290595 TCL: Center of mass = 24.354655412 -0.727693373099 -2.88466819401 TCL: atom 1: phi = 0.15660926084 TCL: Center of mass = 24.3580608744 -0.727443164323 -2.88500926352 TCL: atom 1: phi = 0.156716960813 TCL: Center of mass = 24.3614645885 -0.727194187353 -2.88533984309 TCL: atom 1: phi = 0.15711613372 TCL: Center of mass = 24.3648611444 -0.726946800105 -2.88567179001 TCL: atom 1: phi = 0.157299373032 TCL: Center of mass = 24.3682578525 -0.726698177808 -2.88603079271 TCL: atom 1: phi = 0.157559494804 TCL: Center of mass = 24.371646728 -0.726460472898 -2.88639706844 TCL: atom 1: phi = 0.157486271996 TCL: Center of mass = 24.3750405315 -0.726222692977 -2.88675166223 TCL: atom 1: phi = 0.157419194549 TCL: Center of mass = 24.3784242815 -0.725995832105 -2.88710980519 TCL: atom 1: phi = 0.156976549456 TCL: Center of mass = 24.3818076794 -0.725770984532 -2.88746774278 TCL: atom 1: phi = 0.156589093367 TCL: Center of mass = 24.3851962282 -0.725546821232 -2.88782664463 TCL: atom 1: phi = 0.155928829694 TCL: Center of mass = 24.3885702491 -0.725330596365 -2.88817435496 TCL: atom 1: phi = 0.155476779638 TCL: Center of mass = 24.3919387135 -0.725120528462 -2.88852247925 TCL: atom 1: phi = 0.154851475731 TCL: Center of mass = 24.3953114163 -0.724919478259 -2.8888778545 TCL: atom 1: phi = 0.154403779276 TCL: Center of mass = 24.3986817568 -0.724713843134 -2.88923070421 TCL: atom 1: phi = 0.153744183631 TCL: Center of mass = 24.402038558 -0.724504725624 -2.88959306874 TCL: atom 1: phi = 0.153141535365 TCL: Center of mass = 24.4054042507 -0.724296391556 -2.88994813768 TCL: atom 1: phi = 0.152170657384 TCL: Center of mass = 24.408775536 -0.724097837136 -2.89030195616 TCL: atom 1: phi = 0.151236503736 TCL: Center of mass = 24.4121635099 -0.723906533939 -2.89066371867 TCL: atom 1: phi = 0.149973428066 TCL: Center of mass = 24.4155535877 -0.72372919506 -2.89101798155 TCL: atom 1: phi = 0.148818985503 TCL: Center of mass = 24.4189448296 -0.723543528039 -2.89137271449 TCL: atom 1: phi = 0.14749357958 TCL: Center of mass = 24.4223286467 -0.723355041861 -2.89174129949 TCL: atom 1: phi = 0.14653601873 TCL: Center of mass = 24.4257163377 -0.723163630352 -2.89211107212 TCL: atom 1: phi = 0.145598519325 TCL: Center of mass = 24.4291070623 -0.72295482035 -2.89248359571 TCL: atom 1: phi = 0.145059590034 TCL: Center of mass = 24.4324890957 -0.72274643547 -2.89287730878 TCL: atom 1: phi = 0.144506235517 TCL: Center of mass = 24.4358755938 -0.722540895115 -2.89325736202 TCL: atom 1: phi = 0.14430913638 TCL: Center of mass = 24.4392601211 -0.722318403066 -2.89363122597 TCL: atom 1: phi = 0.143965593371 TCL: Center of mass = 24.4426471518 -0.722083343547 -2.89401197969 TCL: atom 1: phi = 0.143773976307 TCL: Center of mass = 24.4460331606 -0.721840151012 -2.89438530299 TCL: atom 1: phi = 0.143410009232 TCL: Center of mass = 24.4494181861 -0.721608609676 -2.89475632232 TCL: atom 1: phi = 0.143255293086 TCL: Center of mass = 24.4528045826 -0.721388187012 -2.89513539251 TCL: atom 1: phi = 0.142980329519 TCL: Center of mass = 24.4561983771 -0.721173989138 -2.89552488772 TCL: atom 1: phi = 0.143078411917 TCL: Center of mass = 24.4595956609 -0.720984826302 -2.89591642029 TCL: atom 1: phi = 0.143158700541 TCL: Center of mass = 24.4629849669 -0.72080181878 -2.89630119549 TCL: atom 1: phi = 0.143631280261 TCL: Center of mass = 24.466371447 -0.720624632857 -2.89668912114 TCL: atom 1: phi = 0.144022150953 TCL: Center of mass = 24.4697566 -0.720457382964 -2.89707534188 TCL: atom 1: phi = 0.144697606661 TCL: Center of mass = 24.4731511744 -0.720286338178 -2.89744126632 TCL: atom 1: phi = 0.145055538141 TCL: Center of mass = 24.4765438245 -0.720106343858 -2.89781044507 TCL: atom 1: phi = 0.145421794858 TCL: Center of mass = 24.4799311851 -0.719917452935 -2.89818496466 TCL: atom 1: phi = 0.145401258925 TCL: Center of mass = 24.4833049809 -0.719741489582 -2.89855779822 TCL: atom 1: phi = 0.145488801637 TCL: Center of mass = 24.4866818915 -0.719560391436 -2.89894775172 TCL: atom 1: phi = 0.145310242224 TCL: Center of mass = 24.4900490645 -0.719388329866 -2.89933680339 TCL: atom 1: phi = 0.145430094081 TCL: Center of mass = 24.4934104096 -0.719218968824 -2.8997372006 TCL: atom 1: phi = 0.145448546234 TCL: Center of mass = 24.496773056 -0.719058800596 -2.90013761647 TCL: atom 1: phi = 0.145847041845 TCL: Center of mass = 24.5001353671 -0.718897953042 -2.90052635573 TCL: atom 1: phi = 0.146162157125 TCL: Center of mass = 24.5034886745 -0.718742622827 -2.9009095401 TCL: atom 1: phi = 0.146723841899 TCL: Center of mass = 24.5068469198 -0.718578779573 -2.90128848801 TCL: atom 1: phi = 0.146976526152 TCL: Center of mass = 24.5102023553 -0.718414835568 -2.90166035988 TCL: atom 1: phi = 0.147368988279 TCL: Center of mass = 24.5135574194 -0.718245784166 -2.90204038879 TCL: atom 1: phi = 0.14746057373 TCL: Center of mass = 24.516924963 -0.718079696574 -2.90240299108 TCL: atom 1: phi = 0.147772923633 TCL: Center of mass = 24.5202929371 -0.717932916336 -2.90276908895 TCL: atom 1: phi = 0.147854795318 TCL: Center of mass = 24.5236564931 -0.71777867703 -2.90312129475 TCL: atom 1: phi = 0.148297089001 TCL: Center of mass = 24.5270161178 -0.717624219559 -2.9034770374 TCL: atom 1: phi = 0.148580063649 TCL: Center of mass = 24.5303696096 -0.717461488163 -2.90383110213 TCL: atom 1: phi = 0.149227421068 TCL: Center of mass = 24.5337181055 -0.717304008708 -2.90419144478 TCL: atom 1: phi = 0.149738203646 TCL: Center of mass = 24.5370710385 -0.717164939999 -2.90455131928 TCL: atom 1: phi = 0.150516606345 TCL: Center of mass = 24.5404273638 -0.717016821905 -2.90490913842 TCL: atom 1: phi = 0.150910297068 TCL: Center of mass = 24.5437903177 -0.716866418623 -2.90526377586 TCL: atom 1: phi = 0.151413109643 TCL: Center of mass = 24.5471594417 -0.716709709428 -2.90561782008 TCL: atom 1: phi = 0.151459409753 TCL: Center of mass = 24.5505271241 -0.716544643771 -2.90597285941 TCL: atom 1: phi = 0.151606612965 TCL: Center of mass = 24.5538992129 -0.716390604255 -2.90633753782 TCL: atom 1: phi = 0.151415372105 TCL: Center of mass = 24.5572916713 -0.716235419524 -2.90671289835 TCL: atom 1: phi = 0.151531013897 TCL: Center of mass = 24.5606927217 -0.716089020959 -2.9070924158 TCL: atom 1: phi = 0.151480641786 TCL: Center of mass = 24.5641051565 -0.715947918881 -2.90747531939 TCL: atom 1: phi = 0.151852383862 TCL: Center of mass = 24.5675128871 -0.71579818887 -2.90786580685 TCL: atom 1: phi = 0.152149224736 TCL: Center of mass = 24.5709261667 -0.715659465483 -2.90825160655 TCL: atom 1: phi = 0.152810669742 TCL: Center of mass = 24.5743437407 -0.715517205867 -2.90864721438 TCL: atom 1: phi = 0.153224826886 TCL: Center of mass = 24.5777689477 -0.715376696331 -2.90903873901 TCL: atom 1: phi = 0.15384347719 TCL: Center of mass = 24.5812036875 -0.715238430538 -2.90942385542 TCL: atom 1: phi = 0.154136667945 TCL: Center of mass = 24.5846310445 -0.715107395143 -2.90979815746 TCL: atom 1: phi = 0.154638258489 TCL: Center of mass = 24.5880632553 -0.71497481199 -2.910160402 TCL: atom 1: phi = 0.154842588174 TCL: Center of mass = 24.5914955382 -0.714843815029 -2.91050943564 TCL: atom 1: phi = 0.155338341868 TCL: Center of mass = 24.5949277749 -0.714721058908 -2.91086845513 TCL: atom 1: phi = 0.155633719623 TCL: Center of mass = 24.5983637231 -0.714589971729 -2.91121707985 TCL: atom 1: phi = 0.156257994867 TCL: Center of mass = 24.6017970019 -0.714467893033 -2.91155874386 TCL: atom 1: phi = 0.156704204463 TCL: Center of mass = 24.6052277315 -0.714338074348 -2.91191258552 TCL: atom 1: phi = 0.157323294599 TCL: Center of mass = 24.6086548604 -0.714216408272 -2.91225351561 TCL: atom 1: phi = 0.157531625797 TCL: Center of mass = 24.6120757174 -0.714087265978 -2.91260310299 TCL: atom 1: phi = 0.157751622719 TCL: Center of mass = 24.6154939587 -0.713952793786 -2.9129535658 TCL: atom 1: phi = 0.157426055866 TCL: Center of mass = 24.6189059245 -0.713821150342 -2.91329836179 TCL: atom 1: phi = 0.15708519659 TCL: Center of mass = 24.6223276787 -0.713697359857 -2.91364807032 TCL: atom 1: phi = 0.156272229626 TCL: Center of mass = 24.6257468147 -0.713572288251 -2.91399796538 TCL: atom 1: phi = 0.155610323757 TCL: Center of mass = 24.6291771831 -0.713442870391 -2.91434896689 TCL: atom 1: phi = 0.154692703045 TCL: Center of mass = 24.6326117006 -0.713316908093 -2.91470217135 TCL: atom 1: phi = 0.154059088081 TCL: Center of mass = 24.6360571673 -0.71317814396 -2.91504883394 TCL: atom 1: phi = 0.153231953697 TCL: Center of mass = 24.639506557 -0.713040593053 -2.91539924576 TCL: atom 1: phi = 0.152613279779 TCL: Center of mass = 24.6429678461 -0.712900092642 -2.91575827633 TCL: atom 1: phi = 0.151712239569 TCL: Center of mass = 24.6464277215 -0.712763671247 -2.91611421976 TCL: atom 1: phi = 0.150913954551 TIMING: 9100 CPU: 1555.26, 0.172494/step Wall: 1901.38, 0.211341/step, 0.639892 hours remaining, 21957 kB of memory in use. ENERGY: 9100 422.8804 674.3117 413.6874 36.6646 -2784.1481 -196.6499 0.0000 0.0000 1121.7524 -311.5015 305.7089 -302.1248 -305.6970 311.3795 632.3375 452.9900 64000.0000 646.7556 642.9891 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9100 WRITING COORDINATES TO DCD FILE AT STEP 9100 WRITING COORDINATES TO RESTART FILE AT STEP 9100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 24.6498837304 -0.712623224334 -2.9164693694 TCL: atom 1: phi = 0.149734795973 TCL: Center of mass = 24.6533451599 -0.712487529049 -2.91682543795 TCL: atom 1: phi = 0.148662380192 TCL: Center of mass = 24.656807577 -0.712346274503 -2.9171682601 TCL: atom 1: phi = 0.147366020237 TCL: Center of mass = 24.6602617681 -0.712216703891 -2.91750459664 TCL: atom 1: phi = 0.146357460229 TCL: Center of mass = 24.6636999599 -0.712086557287 -2.91782859914 TCL: atom 1: phi = 0.145296292852 TCL: Center of mass = 24.6671334741 -0.711963990267 -2.91815541029 TCL: atom 1: phi = 0.144689847446 TCL: Center of mass = 24.6705611619 -0.711840325404 -2.91848103307 TCL: atom 1: phi = 0.144124285744 TCL: Center of mass = 24.6740075383 -0.711729031833 -2.91879701258 TCL: atom 1: phi = 0.143871372781 TCL: Center of mass = 24.6774535269 -0.711611016182 -2.91910652963 TCL: atom 1: phi = 0.143522149356 TCL: Center of mass = 24.680915439 -0.711500365639 -2.91942103349 TCL: atom 1: phi = 0.143361729546 TCL: Center of mass = 24.6843943744 -0.711399988003 -2.91973842952 TCL: atom 1: phi = 0.142994742807 TCL: Center of mass = 24.6878744512 -0.711303524316 -2.92006111728 TCL: atom 1: phi = 0.142672246958 TCL: Center of mass = 24.6913682624 -0.71121268251 -2.92038507022 TCL: atom 1: phi = 0.142189458275 TCL: Center of mass = 24.6948530936 -0.711111337699 -2.92070699248 TCL: atom 1: phi = 0.141894551367 TCL: Center of mass = 24.6983371161 -0.710999149537 -2.92102934919 TCL: atom 1: phi = 0.141579268752 TCL: Center of mass = 24.7018230266 -0.710880525296 -2.9213475846 TCL: atom 1: phi = 0.141624066832 TCL: Center of mass = 24.7053155501 -0.710761591481 -2.92165612545 TCL: atom 1: phi = 0.141715346251 TCL: Center of mass = 24.7088195127 -0.710648979366 -2.92195089338 TCL: atom 1: phi = 0.142170979901 TCL: Center of mass = 24.7123212866 -0.710540572487 -2.92223760444 TCL: atom 1: phi = 0.142625791268 TCL: Center of mass = 24.7158230681 -0.710430839219 -2.92251459546 TCL: atom 1: phi = 0.143225640049 TCL: Center of mass = 24.7193317929 -0.710337669925 -2.92277964407 TCL: atom 1: phi = 0.143638466865 TCL: Center of mass = 24.7228249418 -0.710245418948 -2.92304459907 TCL: atom 1: phi = 0.14408551468 TCL: Center of mass = 24.7263279868 -0.710144765139 -2.92331367877 TCL: atom 1: phi = 0.144372449626 TCL: Center of mass = 24.7298416636 -0.710060851509 -2.92358659291 TCL: atom 1: phi = 0.144781867094 TCL: Center of mass = 24.7333605725 -0.709983000744 -2.92385749233 TCL: atom 1: phi = 0.145128104647 TCL: Center of mass = 24.7368751597 -0.709904420548 -2.92412967667 TCL: atom 1: phi = 0.14569528844 TCL: Center of mass = 24.7403809985 -0.709818182085 -2.92440558429 TCL: atom 1: phi = 0.146164248069 TCL: Center of mass = 24.7438875943 -0.709730214577 -2.92466831973 TCL: atom 1: phi = 0.146783537035 TCL: Center of mass = 24.7473946499 -0.709639715398 -2.92492882093 TCL: atom 1: phi = 0.14715395578 TCL: Center of mass = 24.7508988605 -0.709548138925 -2.92519233136 TCL: atom 1: phi = 0.147510456129 TCL: Center of mass = 24.754388632 -0.70945220977 -2.92545220805 TCL: atom 1: phi = 0.147482496511 TCL: Center of mass = 24.7578730717 -0.709351994012 -2.92570339569 TCL: atom 1: phi = 0.147358734316 TCL: Center of mass = 24.7613547256 -0.709249541891 -2.92594511547 TCL: atom 1: phi = 0.146839010245 TCL: Center of mass = 24.7648408941 -0.709145783806 -2.92619415963 TCL: atom 1: phi = 0.146401105496 TCL: Center of mass = 24.7683265966 -0.709051129238 -2.92643877433 TCL: atom 1: phi = 0.145716489081 TCL: Center of mass = 24.7718233946 -0.708952780784 -2.9266882018 TCL: atom 1: phi = 0.145246844778 TCL: Center of mass = 24.7753135914 -0.708851906206 -2.9269414987 TCL: atom 1: phi = 0.144649548024 TCL: Center of mass = 24.7788080146 -0.708739491593 -2.92718918769 TCL: atom 1: phi = 0.14436507127 TCL: Center of mass = 24.7823037787 -0.708637204992 -2.9274387062 TCL: atom 1: phi = 0.143910160533 TCL: Center of mass = 24.7858051403 -0.708534069792 -2.92769598431 TCL: atom 1: phi = 0.143697240022 TCL: Center of mass = 24.7893049045 -0.70843129898 -2.9279419097 TCL: atom 1: phi = 0.143246568728 TCL: Center of mass = 24.7927996152 -0.708330143011 -2.92818096145 TCL: atom 1: phi = 0.143017183511 TCL: Center of mass = 24.796299072 -0.708215046848 -2.92843208836 TCL: atom 1: phi = 0.14257917084 TCL: Center of mass = 24.7997956595 -0.70810169726 -2.92867135025 TCL: atom 1: phi = 0.142405632109 TCL: Center of mass = 24.8032894998 -0.707989072882 -2.92891702753 TCL: atom 1: phi = 0.142049139988 TCL: Center of mass = 24.8067790968 -0.707865310499 -2.92916668747 TCL: atom 1: phi = 0.142084998346 TCL: Center of mass = 24.8102714581 -0.707740059238 -2.92940623716 TCL: atom 1: phi = 0.142063823032 TCL: Center of mass = 24.8137726176 -0.707611718741 -2.92964647256 TCL: atom 1: phi = 0.142465104609 TCL: Center of mass = 24.8172785768 -0.707479197218 -2.92987670651 TCL: atom 1: phi = 0.142799827216 TCL: Center of mass = 24.8207873847 -0.707350298369 -2.93009896089 TCL: atom 1: phi = 0.143523004543 TCL: Center of mass = 24.8242868977 -0.707225804575 -2.930329596 TCL: atom 1: phi = 0.144042879827 TCL: Center of mass = 24.8277853838 -0.707102410044 -2.93056420959 TCL: atom 1: phi = 0.144774129666 TCL: Center of mass = 24.8312839091 -0.706977036095 -2.93080520824 TCL: atom 1: phi = 0.145138619596 TCL: Center of mass = 24.8347790616 -0.706860548646 -2.93104774743 TCL: atom 1: phi = 0.145614342087 TCL: Center of mass = 24.8382728549 -0.70673821094 -2.9312791544 TCL: atom 1: phi = 0.145801003707 TCL: Center of mass = 24.8417712421 -0.706624208184 -2.93150224742 TCL: atom 1: phi = 0.146256965625 TCL: Center of mass = 24.845263421 -0.706511248107 -2.93173320441 TCL: atom 1: phi = 0.146459708732 TCL: Center of mass = 24.8487543611 -0.706394606581 -2.93195607762 TCL: atom 1: phi = 0.146992325651 TCL: Center of mass = 24.8522454724 -0.706282887678 -2.93217828468 TCL: atom 1: phi = 0.147288075609 TCL: Center of mass = 24.8557328946 -0.706177631475 -2.9323997821 TCL: atom 1: phi = 0.147835910234 TCL: Center of mass = 24.8592113815 -0.706077500627 -2.93262506104 TCL: atom 1: phi = 0.148068306781 TCL: Center of mass = 24.8626876596 -0.705967770086 -2.93285148538 TCL: atom 1: phi = 0.148504475468 TCL: Center of mass = 24.8661632735 -0.705859123164 -2.93307936889 TCL: atom 1: phi = 0.148577676997 TCL: Center of mass = 24.8696272659 -0.705754153608 -2.93329718909 TCL: atom 1: phi = 0.148832732212 TCL: Center of mass = 24.8730853666 -0.705639787647 -2.93352217008 TCL: atom 1: phi = 0.148797195408 TCL: Center of mass = 24.8765476081 -0.705531536386 -2.93373661218 TCL: atom 1: phi = 0.148965023892 TCL: Center of mass = 24.8800117695 -0.705431321254 -2.93397196862 TCL: atom 1: phi = 0.148911070813 TCL: Center of mass = 24.8834608604 -0.705339421526 -2.93421410118 TCL: atom 1: phi = 0.149134402157 TCL: Center of mass = 24.8869133343 -0.705256252776 -2.93445872633 TCL: atom 1: phi = 0.149116934832 TCL: Center of mass = 24.8903728603 -0.705161867853 -2.93469989082 TCL: atom 1: phi = 0.149327116285 TCL: Center of mass = 24.8938244123 -0.705071516355 -2.93494252251 TCL: atom 1: phi = 0.149262782932 TCL: Center of mass = 24.8972760568 -0.704973254521 -2.93518149429 TCL: atom 1: phi = 0.149351749541 TCL: Center of mass = 24.9007299641 -0.704876512667 -2.93541688298 TCL: atom 1: phi = 0.149214744429 TCL: Center of mass = 24.9041745191 -0.704789340362 -2.93566415589 TCL: atom 1: phi = 0.149276448462 TCL: Center of mass = 24.9076107921 -0.704686936852 -2.9359004361 TCL: atom 1: phi = 0.149103555404 TCL: Center of mass = 24.9110547829 -0.704586170926 -2.93613743215 TCL: atom 1: phi = 0.149242024505 TCL: Center of mass = 24.9145000171 -0.704484071544 -2.93636787744 TCL: atom 1: phi = 0.149241110871 TCL: Center of mass = 24.9179316717 -0.704387133116 -2.93660240263 TCL: atom 1: phi = 0.149564977481 TCL: Center of mass = 24.9213652385 -0.704288236876 -2.93682230422 TCL: atom 1: phi = 0.149745491735 TCL: Center of mass = 24.9247998865 -0.704196010249 -2.93703774024 TCL: atom 1: phi = 0.150281981711 TCL: Center of mass = 24.9282367176 -0.704104288052 -2.93725323257 TCL: atom 1: phi = 0.150627493231 TCL: Center of mass = 24.9316818906 -0.704007663456 -2.9374797507 TCL: atom 1: phi = 0.151253847476 TCL: Center of mass = 24.9351235141 -0.703915270536 -2.93770016203 TCL: atom 1: phi = 0.151613120766 TCL: Center of mass = 24.9385691949 -0.703813751952 -2.93790858757 TCL: atom 1: phi = 0.152192780811 TCL: Center of mass = 24.9420159106 -0.703704934761 -2.93812908689 TCL: atom 1: phi = 0.152508132983 TCL: Center of mass = 24.9454680485 -0.70359788338 -2.93834274921 TCL: atom 1: phi = 0.153092269551 TCL: Center of mass = 24.9489088958 -0.703490296628 -2.93854038959 TCL: atom 1: phi = 0.153435755561 TCL: Center of mass = 24.9523459688 -0.703384515438 -2.93875145601 TCL: atom 1: phi = 0.154050865595 TCL: Center of mass = 24.9557856873 -0.703268737888 -2.93894593127 TCL: atom 1: phi = 0.154461142075 TCL: Center of mass = 24.9592314147 -0.703147812627 -2.939130762 TCL: atom 1: phi = 0.155129546128 TCL: Center of mass = 24.9626774312 -0.703021942453 -2.93931220727 TCL: atom 1: phi = 0.155511349207 TCL: Center of mass = 24.9661272342 -0.702899212489 -2.93949093761 TCL: atom 1: phi = 0.156044879688 TCL: Center of mass = 24.9695946957 -0.702780009928 -2.93966840298 TCL: atom 1: phi = 0.156255215019 TCL: Center of mass = 24.9730578963 -0.702667158754 -2.93984790655 TCL: atom 1: phi = 0.156565838131 TCL: Center of mass = 24.976518662 -0.702546911905 -2.94002666392 TCL: atom 1: phi = 0.156563310484 TCL: Center of mass = 24.9799794689 -0.702420782381 -2.94020161822 TCL: atom 1: phi = 0.156718500752 TCL: Center of mass = 24.9834352366 -0.702290087152 -2.94036684038 TCL: atom 1: phi = 0.156622017718 TCL: Center of mass = 24.9868796872 -0.70214613795 -2.94053422458 TCL: atom 1: phi = 0.156760767232 TCL: Center of mass = 24.9903268549 -0.702002677508 -2.94070517519 TCL: atom 1: phi = 0.156681119395 TCL: Center of mass = 24.9937761807 -0.701854297383 -2.9408842515 TCL: atom 1: phi = 0.156814327697 TIMING: 9200 CPU: 1572.54, 0.172834/step Wall: 1922.55, 0.211695/step, 0.635084 hours remaining, 21957 kB of memory in use. ENERGY: 9200 410.5987 672.6820 415.7893 41.9193 -2776.7431 -199.6812 0.0000 0.0000 1135.7896 -299.6453 309.5344 -290.6561 -292.3918 314.1209 542.6053 396.1145 64000.0000 776.1091 776.2771 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 = 24.9972236833 -0.701712521732 -2.9410774828 TCL: atom 1: phi = 0.156715730969 TCL: Center of mass = 25.0006706366 -0.701571362259 -2.94127459412 TCL: atom 1: phi = 0.156793804718 TCL: Center of mass = 25.004116056 -0.70142577656 -2.94147987858 TCL: atom 1: phi = 0.156595066363 TCL: Center of mass = 25.007561549 -0.701284651878 -2.94168598889 TCL: atom 1: phi = 0.15655848795 TCL: Center of mass = 25.0110004737 -0.701143520952 -2.94189567264 TCL: atom 1: phi = 0.156259258938 TCL: Center of mass = 25.0144326354 -0.701006173747 -2.94210163215 TCL: atom 1: phi = 0.156181927296 TCL: Center of mass = 25.017873533 -0.700853470167 -2.94230294588 TCL: atom 1: phi = 0.155914730207 TCL: Center of mass = 25.0213108866 -0.700688763054 -2.94250868659 TCL: atom 1: phi = 0.155837250597 TCL: Center of mass = 25.0247501616 -0.700529438188 -2.94272788244 TCL: atom 1: phi = 0.155589412795 TCL: Center of mass = 25.0281968106 -0.700360764939 -2.94292937111 TCL: atom 1: phi = 0.155536823702 TCL: Center of mass = 25.0316501386 -0.700179353156 -2.94312315255 TCL: atom 1: phi = 0.155296855343 TCL: Center of mass = 25.0351011888 -0.699980597788 -2.943316715 TCL: atom 1: phi = 0.155222961218 TCL: Center of mass = 25.0385598127 -0.699788729631 -2.9435181663 TCL: atom 1: phi = 0.154900252932 TCL: Center of mass = 25.0420191174 -0.699597386627 -2.94372417485 TCL: atom 1: phi = 0.154709910473 TCL: Center of mass = 25.045477574 -0.69939121454 -2.94393973273 TCL: atom 1: phi = 0.154284326113 TCL: Center of mass = 25.048937573 -0.699191088291 -2.944164002 TCL: atom 1: phi = 0.153973318157 TCL: Center of mass = 25.0524105022 -0.699003726996 -2.94438183142 TCL: atom 1: phi = 0.153500943435 TCL: Center of mass = 25.0558847002 -0.698822780375 -2.94461186425 TCL: atom 1: phi = 0.153205888575 TCL: Center of mass = 25.059359864 -0.698644069747 -2.94485555038 TCL: atom 1: phi = 0.152806622378 TCL: Center of mass = 25.062819692 -0.698457389572 -2.94509661578 TCL: atom 1: phi = 0.152669990297 TCL: Center of mass = 25.0662742983 -0.698279515612 -2.94533989343 TCL: atom 1: phi = 0.152372628859 TCL: Center of mass = 25.0697225986 -0.698129671289 -2.94558812189 TCL: atom 1: phi = 0.152247581287 TCL: Center of mass = 25.0731631236 -0.697978714406 -2.94582718866 TCL: atom 1: phi = 0.151960524791 TCL: Center of mass = 25.0766091112 -0.697827109911 -2.94606387667 TCL: atom 1: phi = 0.151808870208 TCL: Center of mass = 25.0800592429 -0.697675546937 -2.94629336718 TCL: atom 1: phi = 0.151454523865 TCL: Center of mass = 25.0835134119 -0.697526468598 -2.946527557 TCL: atom 1: phi = 0.151192017953 TCL: Center of mass = 25.0869605815 -0.697372636785 -2.94675714453 TCL: atom 1: phi = 0.150810182016 TCL: Center of mass = 25.0904057632 -0.697216789776 -2.94697982902 TCL: atom 1: phi = 0.150617698533 TCL: Center of mass = 25.0938538292 -0.697053557221 -2.94719668195 TCL: atom 1: phi = 0.150292116779 TCL: Center of mass = 25.0972949504 -0.696903740017 -2.94740762376 TCL: atom 1: phi = 0.150142159885 TCL: Center of mass = 25.1007341808 -0.696754726133 -2.94760915336 TCL: atom 1: phi = 0.149901794569 TCL: Center of mass = 25.1041757586 -0.69660756092 -2.94781861328 TCL: atom 1: phi = 0.149864363683 TCL: Center of mass = 25.1076185565 -0.69646382693 -2.94802999235 TCL: atom 1: phi = 0.149746097395 TCL: Center of mass = 25.1110503515 -0.696332265288 -2.94825938808 TCL: atom 1: phi = 0.149813823793 TCL: Center of mass = 25.1144890006 -0.696201008773 -2.94849560179 TCL: atom 1: phi = 0.149772889266 TCL: Center of mass = 25.1179276142 -0.696061028369 -2.94873420675 TCL: atom 1: phi = 0.149933306746 TCL: Center of mass = 25.1213606017 -0.695927908191 -2.94896009606 TCL: atom 1: phi = 0.150004436798 TCL: Center of mass = 25.1248066851 -0.695802972385 -2.94918611945 TCL: atom 1: phi = 0.150304690962 TCL: Center of mass = 25.1282625551 -0.695696841765 -2.9494211071 TCL: atom 1: phi = 0.150576692493 TCL: Center of mass = 25.1317198533 -0.695580986797 -2.94964512016 TCL: atom 1: phi = 0.151119880029 TCL: Center of mass = 25.1351673747 -0.695463096537 -2.94985726145 TCL: atom 1: phi = 0.151589970142 TCL: Center of mass = 25.1386187396 -0.695344302069 -2.95007331235 TCL: atom 1: phi = 0.152310890385 TCL: Center of mass = 25.1420707911 -0.695231736163 -2.95029462891 TCL: atom 1: phi = 0.152868009789 TCL: Center of mass = 25.1455299823 -0.695117527757 -2.95049847707 TCL: atom 1: phi = 0.153589455144 TCL: Center of mass = 25.1490011243 -0.695005768665 -2.95071148892 TCL: atom 1: phi = 0.154063724582 TCL: Center of mass = 25.1524778203 -0.694891413592 -2.95092292352 TCL: atom 1: phi = 0.154652242312 TCL: Center of mass = 25.1559588128 -0.6947687969 -2.95113608505 TCL: atom 1: phi = 0.154930413372 TCL: Center of mass = 25.1594302001 -0.69465166562 -2.95134632113 TCL: atom 1: phi = 0.155339573238 TCL: Center of mass = 25.1629051481 -0.694531696997 -2.95156073551 TCL: atom 1: phi = 0.155469810184 TCL: Center of mass = 25.1663827634 -0.694416152679 -2.95176956999 TCL: atom 1: phi = 0.15575794286 TCL: Center of mass = 25.1698541749 -0.694309461332 -2.95197713315 TCL: atom 1: phi = 0.15578951261 TCL: Center of mass = 25.1733229656 -0.694200859982 -2.95219194656 TCL: atom 1: phi = 0.156036233114 TCL: Center of mass = 25.1767823659 -0.694086032751 -2.95239859037 TCL: atom 1: phi = 0.155980117727 TCL: Center of mass = 25.1802496056 -0.693979142653 -2.95260584421 TCL: atom 1: phi = 0.156130471951 TCL: Center of mass = 25.1837226176 -0.693866703426 -2.95280342279 TCL: atom 1: phi = 0.156029435023 TCL: Center of mass = 25.1871953027 -0.693744269676 -2.95299026212 TCL: atom 1: phi = 0.156151881258 TCL: Center of mass = 25.1906610309 -0.69363157577 -2.95318712371 TCL: atom 1: phi = 0.155947561101 TCL: Center of mass = 25.1941306699 -0.69351757342 -2.95339946172 TCL: atom 1: phi = 0.155982508088 TCL: Center of mass = 25.1976063621 -0.693406886066 -2.9536152195 TCL: atom 1: phi = 0.155733384612 TCL: Center of mass = 25.2010698694 -0.693301235306 -2.95383323512 TCL: atom 1: phi = 0.155722078246 TCL: Center of mass = 25.2045350575 -0.693190462827 -2.95405820608 TCL: atom 1: phi = 0.1554476996 TCL: Center of mass = 25.2080070842 -0.693071219928 -2.9542804976 TCL: atom 1: phi = 0.155359496737 TCL: Center of mass = 25.2114719827 -0.692940976443 -2.95450627364 TCL: atom 1: phi = 0.154982388785 TCL: Center of mass = 25.214923278 -0.692812207743 -2.95473741649 TCL: atom 1: phi = 0.154809785807 TCL: Center of mass = 25.2183657252 -0.692682343506 -2.95496205616 TCL: atom 1: phi = 0.154302860952 TCL: Center of mass = 25.221821382 -0.692564411584 -2.95518495191 TCL: atom 1: phi = 0.153949454825 TCL: Center of mass = 25.2252723906 -0.692445603083 -2.95540779723 TCL: atom 1: phi = 0.153283833379 TCL: Center of mass = 25.2287203787 -0.692313103243 -2.95563471842 TCL: atom 1: phi = 0.152756151631 TCL: Center of mass = 25.2321752255 -0.692174958751 -2.95587011531 TCL: atom 1: phi = 0.151956254218 TCL: Center of mass = 25.235615727 -0.692032484156 -2.95609697696 TCL: atom 1: phi = 0.151411078392 TCL: Center of mass = 25.2390460437 -0.691893804688 -2.95630897668 TCL: atom 1: phi = 0.150682203365 TCL: Center of mass = 25.2424709078 -0.69176254316 -2.95652564897 TCL: atom 1: phi = 0.150268518821 TCL: Center of mass = 25.2459079975 -0.691629956325 -2.95674687289 TCL: atom 1: phi = 0.149715051101 TCL: Center of mass = 25.2493609993 -0.691508888055 -2.95695634991 TCL: atom 1: phi = 0.149486609619 TCL: Center of mass = 25.2528136173 -0.691391821315 -2.95715649385 TCL: atom 1: phi = 0.149179351187 TCL: Center of mass = 25.2562669923 -0.691281340755 -2.95736372233 TCL: atom 1: phi = 0.149188864568 TCL: Center of mass = 25.2597269818 -0.691160063518 -2.9575696778 TCL: atom 1: phi = 0.149030195878 TCL: Center of mass = 25.2631909518 -0.691039072984 -2.9577862343 TCL: atom 1: phi = 0.14914286955 TCL: Center of mass = 25.2666534791 -0.690920094966 -2.95799824868 TCL: atom 1: phi = 0.149062767931 TCL: Center of mass = 25.2701167339 -0.690811461748 -2.95819745036 TCL: atom 1: phi = 0.149270822569 TCL: Center of mass = 25.2735750249 -0.690699633863 -2.95838517669 TCL: atom 1: phi = 0.149365348812 TCL: Center of mass = 25.2770198327 -0.690578624749 -2.95858884906 TCL: atom 1: phi = 0.149727964776 TCL: Center of mass = 25.2804653273 -0.690456519913 -2.95878949912 TCL: atom 1: phi = 0.149944244997 TCL: Center of mass = 25.2839091358 -0.690329560466 -2.9589891909 TCL: atom 1: phi = 0.150375339126 TCL: Center of mass = 25.2873371619 -0.690205831329 -2.95918231726 TCL: atom 1: phi = 0.150571694891 TCL: Center of mass = 25.2907618714 -0.690083883598 -2.95936996211 TCL: atom 1: phi = 0.150875377137 TCL: Center of mass = 25.2941726357 -0.689964401017 -2.95956167106 TCL: atom 1: phi = 0.15096352993 TCL: Center of mass = 25.2975849394 -0.689843235752 -2.95976481941 TCL: atom 1: phi = 0.15115171089 TCL: Center of mass = 25.3010050346 -0.689709949613 -2.95996238945 TCL: atom 1: phi = 0.151035025443 TCL: Center of mass = 25.30441861 -0.689577710193 -2.96016434673 TCL: atom 1: phi = 0.151033013573 TCL: Center of mass = 25.307823188 -0.689441296706 -2.96038072394 TCL: atom 1: phi = 0.150864366513 TCL: Center of mass = 25.3112192652 -0.689300252182 -2.960602437 TCL: atom 1: phi = 0.150917243052 TCL: Center of mass = 25.3146138846 -0.689155415353 -2.96082416404 TCL: atom 1: phi = 0.150868955629 TCL: Center of mass = 25.3180114882 -0.689011612143 -2.96105044766 TCL: atom 1: phi = 0.151074308153 TCL: Center of mass = 25.321417583 -0.688867858449 -2.961274077 TCL: atom 1: phi = 0.151179608369 TCL: Center of mass = 25.3248186047 -0.688724610541 -2.96149292844 TCL: atom 1: phi = 0.151562091759 TCL: Center of mass = 25.3282179403 -0.688595002917 -2.96171190912 TCL: atom 1: phi = 0.151818779923 TCL: Center of mass = 25.3316196146 -0.688460000301 -2.96193168491 TCL: atom 1: phi = 0.152322334483 TCL: Center of mass = 25.335023368 -0.688331505138 -2.96215404633 TCL: atom 1: phi = 0.152633591423 TCL: Center of mass = 25.3384255341 -0.688212793007 -2.96237550295 TCL: atom 1: phi = 0.15316262067 TIMING: 9300 CPU: 1589.82, 0.172744/step Wall: 1943.71, 0.211606/step, 0.62894 hours remaining, 21957 kB of memory in use. ENERGY: 9300 386.4989 677.7251 396.7795 39.3084 -2735.9242 -230.7363 0.0000 0.0000 1149.7574 -316.5912 313.3411 -307.9810 -308.3151 315.7657 1335.1128 971.3243 64000.0000 645.3514 641.0774 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9300 WRITING COORDINATES TO DCD FILE AT STEP 9300 WRITING COORDINATES TO RESTART FILE AT STEP 9300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 25.3418204867 -0.688091763728 -2.96260228847 TCL: atom 1: phi = 0.153503081137 TCL: Center of mass = 25.3452092587 -0.687967499391 -2.96282480463 TCL: atom 1: phi = 0.154089493947 TCL: Center of mass = 25.3485891535 -0.687840665761 -2.96305051529 TCL: atom 1: phi = 0.154516684276 TCL: Center of mass = 25.3519636866 -0.687716963455 -2.96327869931 TCL: atom 1: phi = 0.155168297785 TCL: Center of mass = 25.3553322588 -0.687587358007 -2.9635111789 TCL: atom 1: phi = 0.155622750843 TCL: Center of mass = 25.3587039099 -0.687454487803 -2.96373959007 TCL: atom 1: phi = 0.156239662648 TCL: Center of mass = 25.3620632014 -0.68732101901 -2.96397219212 TCL: atom 1: phi = 0.156557860465 TCL: Center of mass = 25.3654274257 -0.687191740868 -2.96421828105 TCL: atom 1: phi = 0.156995773762 TCL: Center of mass = 25.3687898668 -0.687068841408 -2.96446039374 TCL: atom 1: phi = 0.157190783673 TCL: Center of mass = 25.3721493034 -0.686947524384 -2.9647064294 TCL: atom 1: phi = 0.157481265174 TCL: Center of mass = 25.3755071524 -0.686816432714 -2.96494123532 TCL: atom 1: phi = 0.157517955607 TCL: Center of mass = 25.3788610015 -0.686692970575 -2.96517620212 TCL: atom 1: phi = 0.157805437166 TCL: Center of mass = 25.3822226177 -0.686575819534 -2.96540778552 TCL: atom 1: phi = 0.157973642599 TCL: Center of mass = 25.3855757844 -0.686473224271 -2.96563266069 TCL: atom 1: phi = 0.158434759875 TCL: Center of mass = 25.3889314093 -0.686372224222 -2.96586817081 TCL: atom 1: phi = 0.158852201916 TCL: Center of mass = 25.3922963552 -0.686252720036 -2.96609740026 TCL: atom 1: phi = 0.159581703888 TCL: Center of mass = 25.3956606038 -0.686146675796 -2.96631767741 TCL: atom 1: phi = 0.160141770926 TCL: Center of mass = 25.3990143707 -0.686036102963 -2.96653077503 TCL: atom 1: phi = 0.160855065488 TCL: Center of mass = 25.4023631723 -0.685920937129 -2.96673686596 TCL: atom 1: phi = 0.161301502504 TCL: Center of mass = 25.4056928693 -0.685818361486 -2.96695004975 TCL: atom 1: phi = 0.161913274648 TCL: Center of mass = 25.40902468 -0.685708277586 -2.96716913359 TCL: atom 1: phi = 0.162170237531 TCL: Center of mass = 25.4123554136 -0.685604149521 -2.96739550856 TCL: atom 1: phi = 0.16255733873 TCL: Center of mass = 25.4156929716 -0.685513936316 -2.96762177017 TCL: atom 1: phi = 0.162620038671 TCL: Center of mass = 25.4190371068 -0.685427500092 -2.96783632744 TCL: atom 1: phi = 0.162845772434 TCL: Center of mass = 25.4223943998 -0.685344485116 -2.96804043423 TCL: atom 1: phi = 0.162730864052 TCL: Center of mass = 25.4257462812 -0.685258179653 -2.96824265562 TCL: atom 1: phi = 0.162794193109 TCL: Center of mass = 25.4290910675 -0.685169262517 -2.96845651241 TCL: atom 1: phi = 0.162471503002 TCL: Center of mass = 25.4324348428 -0.685066730673 -2.96867289517 TCL: atom 1: phi = 0.162268357722 TCL: Center of mass = 25.4357842749 -0.684967567517 -2.96889372891 TCL: atom 1: phi = 0.161683573007 TCL: Center of mass = 25.4391360574 -0.684878357129 -2.96910591159 TCL: atom 1: phi = 0.161219836918 TCL: Center of mass = 25.4424907312 -0.684798327374 -2.96932007129 TCL: atom 1: phi = 0.160434809609 TCL: Center of mass = 25.4458528029 -0.684719442914 -2.96952861084 TCL: atom 1: phi = 0.159899426643 TCL: Center of mass = 25.4492119405 -0.684641015676 -2.96974346075 TCL: atom 1: phi = 0.159213609448 TCL: Center of mass = 25.4525694034 -0.684551884978 -2.96996686494 TCL: atom 1: phi = 0.158927058301 TCL: Center of mass = 25.455928244 -0.684468679547 -2.97018494148 TCL: atom 1: phi = 0.158571854322 TCL: Center of mass = 25.4592977219 -0.684390432844 -2.97039941386 TCL: atom 1: phi = 0.158627720582 TCL: Center of mass = 25.462663575 -0.684315216339 -2.97061733367 TCL: atom 1: phi = 0.158568111505 TCL: Center of mass = 25.4660336244 -0.684241246184 -2.97082596108 TCL: atom 1: phi = 0.158865196238 TCL: Center of mass = 25.4694056005 -0.684152529803 -2.97104135939 TCL: atom 1: phi = 0.158956509051 TCL: Center of mass = 25.4727742472 -0.684081255183 -2.97125820054 TCL: atom 1: phi = 0.159318637817 TCL: Center of mass = 25.4761445711 -0.684022583761 -2.97147969369 TCL: atom 1: phi = 0.159412832309 TCL: Center of mass = 25.4795093715 -0.683974085883 -2.97169747646 TCL: atom 1: phi = 0.159760105646 TCL: Center of mass = 25.4828784613 -0.683927505743 -2.97191765663 TCL: atom 1: phi = 0.159771905326 TCL: Center of mass = 25.4862339268 -0.68388539936 -2.97214634303 TCL: atom 1: phi = 0.160018863127 TCL: Center of mass = 25.4895874719 -0.683849144009 -2.9723796319 TCL: atom 1: phi = 0.159922898209 TCL: Center of mass = 25.4929452677 -0.683815969024 -2.97261537233 TCL: atom 1: phi = 0.1599796456 TCL: Center of mass = 25.4963056953 -0.683790501167 -2.97285051965 TCL: atom 1: phi = 0.159580721304 TCL: Center of mass = 25.499655493 -0.683751733824 -2.97308444239 TCL: atom 1: phi = 0.159272432344 TCL: Center of mass = 25.5030029741 -0.683713674084 -2.97330597248 TCL: atom 1: phi = 0.158490835072 TCL: Center of mass = 25.5063522327 -0.683663790362 -2.97352434556 TCL: atom 1: phi = 0.157827593856 TCL: Center of mass = 25.509704805 -0.683609194673 -2.97373475774 TCL: atom 1: phi = 0.156791349247 TCL: Center of mass = 25.513058445 -0.68355089344 -2.97394958867 TCL: atom 1: phi = 0.156026440743 TCL: Center of mass = 25.5164165191 -0.683494254289 -2.9741505668 TCL: atom 1: phi = 0.155130944718 TCL: Center of mass = 25.5197872432 -0.683444522131 -2.97435375746 TCL: atom 1: phi = 0.154616550007 TCL: Center of mass = 25.5231467725 -0.683385891355 -2.97454712052 TCL: atom 1: phi = 0.154045502967 TCL: Center of mass = 25.5264968298 -0.683325080169 -2.97473545095 TCL: atom 1: phi = 0.153820351617 TCL: Center of mass = 25.529848697 -0.68326131233 -2.97493664799 TCL: atom 1: phi = 0.153434923794 TCL: Center of mass = 25.5332057001 -0.683192141473 -2.9751464774 TCL: atom 1: phi = 0.153362482614 TCL: Center of mass = 25.5365490915 -0.68311875294 -2.97535045454 TCL: atom 1: phi = 0.153049468874 TCL: Center of mass = 25.5399015358 -0.683047291903 -2.97555933451 TCL: atom 1: phi = 0.152962044871 TCL: Center of mass = 25.5432518875 -0.682972443532 -2.97576669294 TCL: atom 1: phi = 0.152633448024 TCL: Center of mass = 25.5466166704 -0.68290679427 -2.97597332027 TCL: atom 1: phi = 0.152540010321 TCL: Center of mass = 25.5499834258 -0.682833587586 -2.9761862418 TCL: atom 1: phi = 0.152301032459 TCL: Center of mass = 25.5533557362 -0.682763677822 -2.97640459464 TCL: atom 1: phi = 0.152345068709 TCL: Center of mass = 25.5567397396 -0.682702690736 -2.97661029767 TCL: atom 1: phi = 0.15218334394 TCL: Center of mass = 25.5601273757 -0.6826466639 -2.97682093233 TCL: atom 1: phi = 0.152164163727 TCL: Center of mass = 25.5635233637 -0.682587989649 -2.97703747859 TCL: atom 1: phi = 0.151850196423 TCL: Center of mass = 25.566914634 -0.682535817977 -2.97725480738 TCL: atom 1: phi = 0.151573124831 TCL: Center of mass = 25.5703105381 -0.682482009939 -2.97747147441 TCL: atom 1: phi = 0.150952033311 TCL: Center of mass = 25.5737155943 -0.682434561046 -2.97768372637 TCL: atom 1: phi = 0.150423420788 TCL: Center of mass = 25.5771123171 -0.68239802724 -2.97789412312 TCL: atom 1: phi = 0.149689300331 TCL: Center of mass = 25.5805133977 -0.68236247596 -2.97810759595 TCL: atom 1: phi = 0.149226995224 TCL: Center of mass = 25.5839164498 -0.682329605831 -2.97832211295 TCL: atom 1: phi = 0.148746172457 TCL: Center of mass = 25.5873063512 -0.682310120007 -2.97853387938 TCL: atom 1: phi = 0.14868884005 TCL: Center of mass = 25.5907109107 -0.682298144829 -2.97874084435 TCL: atom 1: phi = 0.148708517078 TCL: Center of mass = 25.594116691 -0.682285623908 -2.97894595686 TCL: atom 1: phi = 0.149160340055 TCL: Center of mass = 25.5975117907 -0.682278494953 -2.97914388807 TCL: atom 1: phi = 0.149611859944 TCL: Center of mass = 25.6009075135 -0.682263205127 -2.9793529658 TCL: atom 1: phi = 0.150353286583 TCL: Center of mass = 25.6042988724 -0.682234916596 -2.97956590022 TCL: atom 1: phi = 0.150977742915 TCL: Center of mass = 25.6076900843 -0.682200904229 -2.97976838655 TCL: atom 1: phi = 0.151859831249 TCL: Center of mass = 25.6110772112 -0.68216901918 -2.97996703482 TCL: atom 1: phi = 0.152563340128 TCL: Center of mass = 25.6144597454 -0.682138019103 -2.98016698882 TCL: atom 1: phi = 0.153570662724 TCL: Center of mass = 25.617850938 -0.682113503254 -2.98036974885 TCL: atom 1: phi = 0.154420833276 TCL: Center of mass = 25.6212461964 -0.682083224061 -2.98058035998 TCL: atom 1: phi = 0.155575841984 TCL: Center of mass = 25.6246390357 -0.682047835348 -2.9807905191 TCL: atom 1: phi = 0.156505977457 TCL: Center of mass = 25.6280277839 -0.682022069144 -2.98099060118 TCL: atom 1: phi = 0.157634709123 TCL: Center of mass = 25.63142061 -0.681992597993 -2.98118526143 TCL: atom 1: phi = 0.158395201099 TCL: Center of mass = 25.6348267685 -0.681966936025 -2.98138875427 TCL: atom 1: phi = 0.159232814728 TCL: Center of mass = 25.6382353081 -0.681938134217 -2.98161120639 TCL: atom 1: phi = 0.159564182318 TCL: Center of mass = 25.6416407484 -0.681913593005 -2.9818273329 TCL: atom 1: phi = 0.160006617354 TCL: Center of mass = 25.6450501449 -0.68191436741 -2.98205600181 TCL: atom 1: phi = 0.159995077491 TCL: Center of mass = 25.648470142 -0.681918135237 -2.98229216817 TCL: atom 1: phi = 0.160220842039 TCL: Center of mass = 25.6518836796 -0.681913078108 -2.98251331072 TCL: atom 1: phi = 0.160165569644 TCL: Center of mass = 25.6552948284 -0.681905566447 -2.98272467941 TCL: atom 1: phi = 0.160479638548 TCL: Center of mass = 25.6587125469 -0.681919436343 -2.98293043863 TCL: atom 1: phi = 0.160662456243 TCL: Center of mass = 25.662131836 -0.681926344094 -2.98313129446 TCL: atom 1: phi = 0.161312555432 TCL: Center of mass = 25.6655489606 -0.681958863563 -2.9833392674 TCL: atom 1: phi = 0.161800985703 TCL: Center of mass = 25.668957354 -0.68199833121 -2.98356104606 TCL: atom 1: phi = 0.162624270818 TCL: Center of mass = 25.6723575359 -0.682039768018 -2.9837786136 TCL: atom 1: phi = 0.163063515933 TCL: Center of mass = 25.6757522187 -0.682077507999 -2.98400669074 TCL: atom 1: phi = 0.163694327556 TIMING: 9400 CPU: 1607.08, 0.172584/step Wall: 1964.85, 0.21138/step, 0.622397 hours remaining, 21958 kB of memory in use. ENERGY: 9400 405.5977 691.7028 407.5410 46.2828 -2737.9066 -253.6989 0.0000 0.0000 1124.5609 -315.9203 306.4743 -307.5062 -307.1549 312.1881 538.8082 369.9869 64000.0000 518.3140 523.2701 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9400 WRITING COORDINATES TO DCD FILE AT STEP 9400 WRITING COORDINATES TO RESTART FILE AT STEP 9400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 25.6791510456 -0.682110730906 -2.98422987131 TCL: atom 1: phi = 0.163898628299 TCL: Center of mass = 25.6825527057 -0.682137970595 -2.98444822061 TCL: atom 1: phi = 0.164241051198 TCL: Center of mass = 25.6859499828 -0.682170485251 -2.98466413514 TCL: atom 1: phi = 0.164230584764 TCL: Center of mass = 25.6893502555 -0.682200756368 -2.98486971942 TCL: atom 1: phi = 0.164444911199 TCL: Center of mass = 25.6927598191 -0.682237074579 -2.9850719389 TCL: atom 1: phi = 0.164345788842 TCL: Center of mass = 25.6961769461 -0.682271713616 -2.98527347139 TCL: atom 1: phi = 0.164474240008 TCL: Center of mass = 25.6995868812 -0.682304236063 -2.98546706715 TCL: atom 1: phi = 0.164270655074 TCL: Center of mass = 25.70299047 -0.682334686466 -2.98567216179 TCL: atom 1: phi = 0.164174711315 TCL: Center of mass = 25.7064039316 -0.682376477865 -2.98585643216 TCL: atom 1: phi = 0.163681436631 TCL: Center of mass = 25.7098158091 -0.68240436216 -2.98603385994 TCL: atom 1: phi = 0.16323977121 TCL: Center of mass = 25.7132154782 -0.682432627071 -2.98621658235 TCL: atom 1: phi = 0.162470067998 TCL: Center of mass = 25.7166190177 -0.682472791303 -2.98641945137 TCL: atom 1: phi = 0.161844360632 TCL: Center of mass = 25.7200161949 -0.682513842705 -2.98661383098 TCL: atom 1: phi = 0.16113626197 TCL: Center of mass = 25.7234140493 -0.682567070532 -2.98680628183 TCL: atom 1: phi = 0.160902396002 TCL: Center of mass = 25.7268123462 -0.682621235004 -2.98698224157 TCL: atom 1: phi = 0.160831172803 TCL: Center of mass = 25.7302054359 -0.682678446934 -2.98715545387 TCL: atom 1: phi = 0.161275513409 TCL: Center of mass = 25.7336013371 -0.682746460939 -2.98733973921 TCL: atom 1: phi = 0.161792179651 TCL: Center of mass = 25.7369974886 -0.682799414423 -2.98750685343 TCL: atom 1: phi = 0.162684629613 TCL: Center of mass = 25.7403984123 -0.682857379141 -2.98768471214 TCL: atom 1: phi = 0.163464038983 TCL: Center of mass = 25.7437928021 -0.682916159234 -2.98786264949 TCL: atom 1: phi = 0.164403516303 TCL: Center of mass = 25.7471927096 -0.682975352487 -2.98804046425 TCL: atom 1: phi = 0.165095236811 TCL: Center of mass = 25.7505736876 -0.683038122592 -2.98821043475 TCL: atom 1: phi = 0.165990318291 TCL: Center of mass = 25.7539618491 -0.683101040595 -2.98837319382 TCL: atom 1: phi = 0.166724280182 TCL: Center of mass = 25.7573465284 -0.683161111628 -2.98853602303 TCL: atom 1: phi = 0.167692682739 TCL: Center of mass = 25.7607318155 -0.68321919418 -2.98870905482 TCL: atom 1: phi = 0.168550181159 TCL: Center of mass = 25.7641084585 -0.683272762604 -2.98887278682 TCL: atom 1: phi = 0.169662803378 TCL: Center of mass = 25.7674951441 -0.683315447749 -2.98904103715 TCL: atom 1: phi = 0.170518550238 TCL: Center of mass = 25.7708861081 -0.683351557557 -2.98921004872 TCL: atom 1: phi = 0.171520465305 TCL: Center of mass = 25.7742706527 -0.68338108423 -2.98937889078 TCL: atom 1: phi = 0.172038321255 TCL: Center of mass = 25.7776617256 -0.683400896669 -2.9895528482 TCL: atom 1: phi = 0.172536808473 TCL: Center of mass = 25.7810465889 -0.683418538588 -2.98972764855 TCL: atom 1: phi = 0.172535068833 TCL: Center of mass = 25.7844355062 -0.683437310115 -2.98989288873 TCL: atom 1: phi = 0.172545190681 TCL: Center of mass = 25.7878267816 -0.683459979395 -2.99004788227 TCL: atom 1: phi = 0.17219771088 TCL: Center of mass = 25.7912222272 -0.683479264362 -2.99018289385 TCL: atom 1: phi = 0.172147689859 TCL: Center of mass = 25.7946225294 -0.6835032297 -2.99031643667 TCL: atom 1: phi = 0.171997381836 TCL: Center of mass = 25.7980275274 -0.68351558601 -2.99045138237 TCL: atom 1: phi = 0.172321568808 TCL: Center of mass = 25.8014316214 -0.683537617428 -2.99060184945 TCL: atom 1: phi = 0.172515948864 TCL: Center of mass = 25.8048455746 -0.683568824025 -2.99074822004 TCL: atom 1: phi = 0.173016003128 TCL: Center of mass = 25.8082613388 -0.683587679246 -2.99090459767 TCL: atom 1: phi = 0.173171434787 TCL: Center of mass = 25.8116808291 -0.68360349904 -2.99104777802 TCL: atom 1: phi = 0.173429583161 TCL: Center of mass = 25.815105909 -0.683622958061 -2.99118948681 TCL: atom 1: phi = 0.173209121796 TCL: Center of mass = 25.818531848 -0.683640952853 -2.99133537356 TCL: atom 1: phi = 0.172998375188 TCL: Center of mass = 25.8219511828 -0.683670056553 -2.99146747194 TCL: atom 1: phi = 0.172302005915 TCL: Center of mass = 25.8253673767 -0.683705488235 -2.99158541014 TCL: atom 1: phi = 0.171722835592 TCL: Center of mass = 25.8287725311 -0.683734807872 -2.99170375979 TCL: atom 1: phi = 0.170891928354 TCL: Center of mass = 25.832176895 -0.683760213206 -2.99182671517 TCL: atom 1: phi = 0.170367517496 TCL: Center of mass = 25.8355897809 -0.683786796361 -2.99195307438 TCL: atom 1: phi = 0.16962143235 TCL: Center of mass = 25.8389898527 -0.683808584915 -2.99206847728 TCL: atom 1: phi = 0.169092724847 TCL: Center of mass = 25.8423954135 -0.683820658667 -2.99218739159 TCL: atom 1: phi = 0.168293321563 TCL: Center of mass = 25.8458040618 -0.683829758527 -2.99229664318 TCL: atom 1: phi = 0.167617573712 TCL: Center of mass = 25.849217399 -0.683834874736 -2.99239902835 TCL: atom 1: phi = 0.166595722815 TCL: Center of mass = 25.8526326796 -0.683836792703 -2.99248456417 TCL: atom 1: phi = 0.165748178396 TCL: Center of mass = 25.8560556752 -0.683840565407 -2.99256379524 TCL: atom 1: phi = 0.164740539824 TCL: Center of mass = 25.8594833854 -0.683849777248 -2.99263895555 TCL: atom 1: phi = 0.164117604988 TCL: Center of mass = 25.8629113868 -0.683856859701 -2.99271149492 TCL: atom 1: phi = 0.163604660981 TCL: Center of mass = 25.8663358699 -0.683869578469 -2.99277167157 TCL: atom 1: phi = 0.163683026798 TCL: Center of mass = 25.8697683115 -0.683881384063 -2.99283214972 TCL: atom 1: phi = 0.163928809903 TCL: Center of mass = 25.8732006525 -0.683881386112 -2.99289641741 TCL: atom 1: phi = 0.16469594652 TCL: Center of mass = 25.8766306637 -0.683883942975 -2.9929681665 TCL: atom 1: phi = 0.16541929862 TCL: Center of mass = 25.8800638763 -0.683890802665 -2.99302236921 TCL: atom 1: phi = 0.166385310648 TCL: Center of mass = 25.88349505 -0.683886286967 -2.99307272225 TCL: atom 1: phi = 0.166990621184 TCL: Center of mass = 25.8869352046 -0.683886865234 -2.99312828414 TCL: atom 1: phi = 0.167652125099 TCL: Center of mass = 25.89037618 -0.683887929768 -2.99318265283 TCL: atom 1: phi = 0.167947198497 TCL: Center of mass = 25.8938139464 -0.683882005541 -2.99324002869 TCL: atom 1: phi = 0.168427172561 TCL: Center of mass = 25.8972439554 -0.68387700421 -2.99329385015 TCL: atom 1: phi = 0.168669966822 TCL: Center of mass = 25.9006688627 -0.683883798295 -2.99335097867 TCL: atom 1: phi = 0.169197117515 TCL: Center of mass = 25.9040902913 -0.683897620571 -2.99340758569 TCL: atom 1: phi = 0.169567462997 TCL: Center of mass = 25.9075012661 -0.683906094199 -2.99346822868 TCL: atom 1: phi = 0.170205507433 TCL: Center of mass = 25.9109092197 -0.683922224209 -2.99352075109 TCL: atom 1: phi = 0.17052504001 TCL: Center of mass = 25.914325114 -0.683933725097 -2.99357437729 TCL: atom 1: phi = 0.170977208117 TCL: Center of mass = 25.917737917 -0.683947767081 -2.99363603996 TCL: atom 1: phi = 0.171064963293 TCL: Center of mass = 25.9211436084 -0.683963597734 -2.99368803201 TCL: atom 1: phi = 0.171222045696 TCL: Center of mass = 25.9245496818 -0.68397791174 -2.99373853798 TCL: atom 1: phi = 0.171031581257 TCL: Center of mass = 25.9279708084 -0.68398421529 -2.99377987078 TCL: atom 1: phi = 0.171091204332 TCL: Center of mass = 25.9314056458 -0.683985877555 -2.99382789474 TCL: atom 1: phi = 0.171106486114 TCL: Center of mass = 25.9348405667 -0.683973664849 -2.99387480874 TCL: atom 1: phi = 0.171578936184 TCL: Center of mass = 25.9382664531 -0.683963603005 -2.99392810492 TCL: atom 1: phi = 0.172092652456 TCL: Center of mass = 25.9416855668 -0.683941656986 -2.99397816101 TCL: atom 1: phi = 0.17297804832 TCL: Center of mass = 25.9451202789 -0.683911086088 -2.99403409683 TCL: atom 1: phi = 0.173696923419 TCL: Center of mass = 25.9485556347 -0.683885301167 -2.99409117339 TCL: atom 1: phi = 0.174608854645 TCL: Center of mass = 25.9519899126 -0.683854246012 -2.99413153817 TCL: atom 1: phi = 0.17515828642 TCL: Center of mass = 25.9554228696 -0.683822948199 -2.99417253388 TCL: atom 1: phi = 0.175765245151 TCL: Center of mass = 25.9588393226 -0.683793562801 -2.99421559446 TCL: atom 1: phi = 0.175981343458 TCL: Center of mass = 25.9622693658 -0.683756344926 -2.99425807675 TCL: atom 1: phi = 0.176261432021 TCL: Center of mass = 25.9656937772 -0.683713087522 -2.99430175023 TCL: atom 1: phi = 0.176242472875 TCL: Center of mass = 25.9691186759 -0.683655698512 -2.99435729377 TCL: atom 1: phi = 0.176448878263 TCL: Center of mass = 25.9725421631 -0.683604732664 -2.99440466687 TCL: atom 1: phi = 0.176468707322 TCL: Center of mass = 25.9759576134 -0.683548076974 -2.99444524116 TCL: atom 1: phi = 0.176776724663 TCL: Center of mass = 25.9793736696 -0.683495477819 -2.9944774683 TCL: atom 1: phi = 0.176858311619 TCL: Center of mass = 25.9827818006 -0.68345197718 -2.99450924445 TCL: atom 1: phi = 0.177138543188 TCL: Center of mass = 25.9861845179 -0.683400792905 -2.99452739758 TCL: atom 1: phi = 0.177184807557 TCL: Center of mass = 25.9895819125 -0.683338873318 -2.99455773714 TCL: atom 1: phi = 0.177398975352 TCL: Center of mass = 25.9929874303 -0.683271811978 -2.99458762185 TCL: atom 1: phi = 0.177369271929 TCL: Center of mass = 25.9963892401 -0.683200173979 -2.99461616934 TCL: atom 1: phi = 0.17762769157 TCL: Center of mass = 25.9997969849 -0.68314302031 -2.99463254597 TCL: atom 1: phi = 0.177788206718 TCL: Center of mass = 26.0031923534 -0.683085008201 -2.9946554237 TCL: atom 1: phi = 0.178431862792 TCL: Center of mass = 26.0065837639 -0.683031070438 -2.9946753889 TCL: atom 1: phi = 0.179137640963 TCL: Center of mass = 26.0099755375 -0.682975873432 -2.99468842598 TCL: atom 1: phi = 0.180288266609 TCL: Center of mass = 26.013369267 -0.682925252027 -2.99470008936 TCL: atom 1: phi = 0.181330088403 TCL: Center of mass = 26.016767653 -0.682877695257 -2.99471993716 TCL: atom 1: phi = 0.182604341319 TIMING: 9500 CPU: 1624.32, 0.172474/step Wall: 1985.97, 0.211238/step, 0.61611 hours remaining, 21958 kB of memory in use. ENERGY: 9500 400.7575 690.1612 401.4490 40.5466 -2776.7654 -213.7644 0.0000 0.0000 1148.5101 -309.1054 313.0011 -300.5258 -300.7599 313.6747 931.6560 826.4219 64000.0000 475.4687 476.2786 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9500 WRITING COORDINATES TO DCD FILE AT STEP 9500 WRITING COORDINATES TO RESTART FILE AT STEP 9500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.0201708421 -0.682830459559 -2.99474473494 TCL: atom 1: phi = 0.183454420371 TCL: Center of mass = 26.0235636965 -0.682780958288 -2.9947767228 TCL: atom 1: phi = 0.184262684037 TCL: Center of mass = 26.0269576364 -0.682739504322 -2.99481310287 TCL: atom 1: phi = 0.184544042389 TCL: Center of mass = 26.0303481616 -0.682703723146 -2.99485744239 TCL: atom 1: phi = 0.184850627232 TCL: Center of mass = 26.0337256521 -0.682664234531 -2.99489717777 TCL: atom 1: phi = 0.184674956142 TCL: Center of mass = 26.0371044227 -0.682634572926 -2.99494123899 TCL: atom 1: phi = 0.184624506244 TCL: Center of mass = 26.0404830923 -0.682594289434 -2.99498187539 TCL: atom 1: phi = 0.184281999842 TCL: Center of mass = 26.0438644595 -0.682549538362 -2.99503039091 TCL: atom 1: phi = 0.184156929481 TCL: Center of mass = 26.0472438483 -0.682505989268 -2.99507000109 TCL: atom 1: phi = 0.183777492352 TCL: Center of mass = 26.0506221624 -0.682450410185 -2.99511474288 TCL: atom 1: phi = 0.183572449106 TCL: Center of mass = 26.0540037226 -0.682401219616 -2.99515822482 TCL: atom 1: phi = 0.182984721721 TCL: Center of mass = 26.0573992921 -0.682341199716 -2.99519381714 TCL: atom 1: phi = 0.182471675432 TCL: Center of mass = 26.0607914007 -0.682277682926 -2.99522492806 TCL: atom 1: phi = 0.181624130705 TCL: Center of mass = 26.0641695673 -0.682214562156 -2.9952652266 TCL: atom 1: phi = 0.180915317742 TCL: Center of mass = 26.0675386714 -0.682154334115 -2.99530111378 TCL: atom 1: phi = 0.180038613071 TCL: Center of mass = 26.0709138435 -0.682086138686 -2.99533115818 TCL: atom 1: phi = 0.179536867027 TCL: Center of mass = 26.0742878306 -0.682023712897 -2.99535506837 TCL: atom 1: phi = 0.17908034538 TCL: Center of mass = 26.0776538152 -0.681965792437 -2.99537172204 TCL: atom 1: phi = 0.179021922659 TCL: Center of mass = 26.0810217914 -0.681918630068 -2.99537726438 TCL: atom 1: phi = 0.178979983889 TCL: Center of mass = 26.0843885302 -0.681880391515 -2.99537416176 TCL: atom 1: phi = 0.179236214969 TCL: Center of mass = 26.0877686118 -0.681846816608 -2.99537076154 TCL: atom 1: phi = 0.179286380904 TCL: Center of mass = 26.0911459395 -0.681815816262 -2.99536213054 TCL: atom 1: phi = 0.179463084048 TCL: Center of mass = 26.0945264639 -0.681773943262 -2.99535895497 TCL: atom 1: phi = 0.17925480457 TCL: Center of mass = 26.0979167615 -0.681715443997 -2.99535472607 TCL: atom 1: phi = 0.179063667143 TCL: Center of mass = 26.1013062477 -0.681657177745 -2.99535795387 TCL: atom 1: phi = 0.178610223705 TCL: Center of mass = 26.1046950435 -0.681599931128 -2.99537061526 TCL: atom 1: phi = 0.178297419286 TCL: Center of mass = 26.1080856527 -0.681539779154 -2.99538966714 TCL: atom 1: phi = 0.177837097299 TCL: Center of mass = 26.1114840465 -0.681474959444 -2.99540967405 TCL: atom 1: phi = 0.177644396101 TCL: Center of mass = 26.1148934998 -0.681417833452 -2.99543183086 TCL: atom 1: phi = 0.177331636805 TCL: Center of mass = 26.1183056791 -0.681366734764 -2.9954522736 TCL: atom 1: phi = 0.177255744557 TCL: Center of mass = 26.1217141078 -0.68131366637 -2.99546661601 TCL: atom 1: phi = 0.177021446031 TCL: Center of mass = 26.1251285542 -0.681256990462 -2.9954802656 TCL: atom 1: phi = 0.176876845222 TCL: Center of mass = 26.128537568 -0.681199887757 -2.99549670435 TCL: atom 1: phi = 0.176481809336 TCL: Center of mass = 26.1319430585 -0.68113743529 -2.99550454613 TCL: atom 1: phi = 0.176224516485 TCL: Center of mass = 26.1353509769 -0.681077431284 -2.99551565208 TCL: atom 1: phi = 0.175830193748 TCL: Center of mass = 26.1387651447 -0.681012938868 -2.99552200297 TCL: atom 1: phi = 0.175708537091 TCL: Center of mass = 26.1421748069 -0.680937523138 -2.99552384389 TCL: atom 1: phi = 0.175674770695 TCL: Center of mass = 26.1455896369 -0.68086273936 -2.99553086748 TCL: atom 1: phi = 0.176003497493 TCL: Center of mass = 26.1490008084 -0.680798396396 -2.99554427172 TCL: atom 1: phi = 0.176377035246 TCL: Center of mass = 26.1524136794 -0.680734850556 -2.99556873385 TCL: atom 1: phi = 0.177098322027 TCL: Center of mass = 26.1558253524 -0.680670413614 -2.99559319769 TCL: atom 1: phi = 0.177703074326 TCL: Center of mass = 26.1592289538 -0.680607275562 -2.99562506536 TCL: atom 1: phi = 0.178400020373 TCL: Center of mass = 26.1626321738 -0.680539764277 -2.99565185334 TCL: atom 1: phi = 0.178780068768 TCL: Center of mass = 26.1660305972 -0.680463771452 -2.99567757178 TCL: atom 1: phi = 0.179159598367 TCL: Center of mass = 26.1694249046 -0.680382355131 -2.9957025651 TCL: atom 1: phi = 0.179109628531 TCL: Center of mass = 26.1728192662 -0.680297904643 -2.99572773806 TCL: atom 1: phi = 0.179167060837 TCL: Center of mass = 26.1762180528 -0.680212248596 -2.99574137652 TCL: atom 1: phi = 0.179058244538 TCL: Center of mass = 26.1796298218 -0.68013180314 -2.99575853083 TCL: atom 1: phi = 0.179229901443 TCL: Center of mass = 26.1830548705 -0.680054783632 -2.99578035366 TCL: atom 1: phi = 0.179311124101 TCL: Center of mass = 26.1864749838 -0.679979327707 -2.99580191679 TCL: atom 1: phi = 0.17968480033 TCL: Center of mass = 26.1898971177 -0.679896839062 -2.99582050939 TCL: atom 1: phi = 0.17996731594 TCL: Center of mass = 26.1933240298 -0.679824481323 -2.99583842311 TCL: atom 1: phi = 0.180468080128 TCL: Center of mass = 26.1967450082 -0.679742135092 -2.99584592041 TCL: atom 1: phi = 0.18079355487 TCL: Center of mass = 26.2001712812 -0.679666589906 -2.99585949719 TCL: atom 1: phi = 0.181244495131 TCL: Center of mass = 26.2036009847 -0.679593106074 -2.99586924631 TCL: atom 1: phi = 0.181470228128 TCL: Center of mass = 26.2070280736 -0.679518394754 -2.99588020917 TCL: atom 1: phi = 0.181983390139 TCL: Center of mass = 26.2104436589 -0.679440578368 -2.99588799425 TCL: atom 1: phi = 0.182418112869 TCL: Center of mass = 26.213857401 -0.679366000546 -2.99589110424 TCL: atom 1: phi = 0.183230086284 TCL: Center of mass = 26.2172677554 -0.679297054242 -2.99589579523 TCL: atom 1: phi = 0.184060899775 TCL: Center of mass = 26.2206755778 -0.679235227962 -2.99589854261 TCL: atom 1: phi = 0.185277315206 TCL: Center of mass = 26.2240827316 -0.679181372691 -2.99589308666 TCL: atom 1: phi = 0.186369402109 TCL: Center of mass = 26.2274895268 -0.679132957422 -2.99588361276 TCL: atom 1: phi = 0.187625421684 TCL: Center of mass = 26.2308885215 -0.679090940033 -2.99586976823 TCL: atom 1: phi = 0.188497769357 TCL: Center of mass = 26.2342909576 -0.679032249109 -2.99585512917 TCL: atom 1: phi = 0.189372445534 TCL: Center of mass = 26.2376923522 -0.678971327921 -2.99584503795 TCL: atom 1: phi = 0.189725446068 TCL: Center of mass = 26.2411004438 -0.67890452779 -2.9958345326 TCL: atom 1: phi = 0.190063477575 TCL: Center of mass = 26.244509006 -0.678848616301 -2.99581749339 TCL: atom 1: phi = 0.18996036051 TCL: Center of mass = 26.2479160966 -0.678798562151 -2.99579905006 TCL: atom 1: phi = 0.189942860326 TCL: Center of mass = 26.2513236007 -0.678737340999 -2.99578522379 TCL: atom 1: phi = 0.189549365841 TCL: Center of mass = 26.2547363803 -0.678664831293 -2.99577102755 TCL: atom 1: phi = 0.189366669049 TCL: Center of mass = 26.2581570629 -0.678592708273 -2.99576337119 TCL: atom 1: phi = 0.188960690483 TCL: Center of mass = 26.2615789375 -0.678520908877 -2.99575110187 TCL: atom 1: phi = 0.188727657408 TCL: Center of mass = 26.2649873428 -0.678447938251 -2.9957419439 TCL: atom 1: phi = 0.188155247468 TCL: Center of mass = 26.2683968759 -0.678373805434 -2.99573159015 TCL: atom 1: phi = 0.187744433119 TCL: Center of mass = 26.2718159084 -0.678299311 -2.99572505539 TCL: atom 1: phi = 0.186960677644 TCL: Center of mass = 26.2752428259 -0.678214529143 -2.99572523395 TCL: atom 1: phi = 0.186390224987 TCL: Center of mass = 26.2786787567 -0.67814102826 -2.99572466654 TCL: atom 1: phi = 0.18558364946 TCL: Center of mass = 26.282106877 -0.678068608884 -2.99573104993 TCL: atom 1: phi = 0.185142298869 TCL: Center of mass = 26.285543423 -0.677989526695 -2.9957447352 TCL: atom 1: phi = 0.184580937343 TCL: Center of mass = 26.2889950405 -0.677899033313 -2.9957565553 TCL: atom 1: phi = 0.184388077033 TCL: Center of mass = 26.2924435475 -0.677814925252 -2.99577038942 TCL: atom 1: phi = 0.184068603716 TCL: Center of mass = 26.2958879735 -0.677725422555 -2.99577748032 TCL: atom 1: phi = 0.184062063423 TCL: Center of mass = 26.2993328358 -0.677644680829 -2.99578327048 TCL: atom 1: phi = 0.183810768108 TCL: Center of mass = 26.302791708 -0.677557934916 -2.99577773014 TCL: atom 1: phi = 0.183723973608 TCL: Center of mass = 26.3062379213 -0.677473913876 -2.9957697535 TCL: atom 1: phi = 0.18333001764 TCL: Center of mass = 26.3096811502 -0.677390250847 -2.99576122923 TCL: atom 1: phi = 0.183110178438 TCL: Center of mass = 26.3131216911 -0.6772998831 -2.99576949931 TCL: atom 1: phi = 0.18256561825 TCL: Center of mass = 26.3165628385 -0.677221935026 -2.99576293757 TCL: atom 1: phi = 0.182288504638 TCL: Center of mass = 26.3200065874 -0.677139912472 -2.99576824977 TCL: atom 1: phi = 0.181769340475 TCL: Center of mass = 26.3234475318 -0.677047858253 -2.99576711509 TCL: atom 1: phi = 0.181584769194 TCL: Center of mass = 26.3268975555 -0.676960769459 -2.99576225493 TCL: atom 1: phi = 0.181298260548 TCL: Center of mass = 26.3303494263 -0.676885733678 -2.99576195132 TCL: atom 1: phi = 0.181392171779 TCL: Center of mass = 26.3338082228 -0.676814076565 -2.9957502125 TCL: atom 1: phi = 0.181350498922 TCL: Center of mass = 26.3372611943 -0.676737763768 -2.99573286856 TCL: atom 1: phi = 0.181722637204 TCL: Center of mass = 26.3407158144 -0.676649628618 -2.9957173312 TCL: atom 1: phi = 0.18188582451 TCL: Center of mass = 26.3441741426 -0.67655639288 -2.99570233917 TCL: atom 1: phi = 0.182349448848 TCL: Center of mass = 26.347624338 -0.676463714574 -2.99570612953 TCL: atom 1: phi = 0.182469175149 TCL: Center of mass = 26.3510733979 -0.676370492581 -2.99571338907 TCL: atom 1: phi = 0.182918116786 TCL: Center of mass = 26.3545147445 -0.676271876024 -2.99572212353 TCL: atom 1: phi = 0.183077445681 TCL: Center of mass = 26.3579654559 -0.676167182593 -2.99573342482 TCL: atom 1: phi = 0.183613763845 TIMING: 9600 CPU: 1641.84, 0.175173/step Wall: 2007.04, 0.210745/step, 0.608819 hours remaining, 21960 kB of memory in use. ENERGY: 9600 403.2595 693.9330 394.6109 39.6057 -2764.0224 -203.1014 0.0000 0.0000 1116.4145 -319.3004 304.2542 -310.6770 -311.0403 312.5151 850.5615 558.5957 64000.0000 683.3679 687.9589 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9600 WRITING COORDINATES TO DCD FILE AT STEP 9600 WRITING COORDINATES TO RESTART FILE AT STEP 9600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.3614122565 -0.676080882176 -2.99574131103 TCL: atom 1: phi = 0.183865264891 TCL: Center of mass = 26.3648718747 -0.675999583712 -2.99575373795 TCL: atom 1: phi = 0.184467779828 TCL: Center of mass = 26.3683342561 -0.675908297694 -2.9957597326 TCL: atom 1: phi = 0.18463993533 TCL: Center of mass = 26.3717936649 -0.675823542068 -2.9957753305 TCL: atom 1: phi = 0.184969265148 TCL: Center of mass = 26.3752553825 -0.675729421029 -2.995784099 TCL: atom 1: phi = 0.184705054401 TCL: Center of mass = 26.3787085845 -0.675639527416 -2.99578957389 TCL: atom 1: phi = 0.184517335839 TCL: Center of mass = 26.3821672215 -0.675549437643 -2.99579655175 TCL: atom 1: phi = 0.183806754229 TCL: Center of mass = 26.385614488 -0.675472706994 -2.99579088271 TCL: atom 1: phi = 0.183276061112 TCL: Center of mass = 26.3890654231 -0.675388587714 -2.99577368182 TCL: atom 1: phi = 0.182348449143 TCL: Center of mass = 26.3925007741 -0.675306675608 -2.99576347001 TCL: atom 1: phi = 0.181782900909 TCL: Center of mass = 26.3959399223 -0.675234111502 -2.99576768451 TCL: atom 1: phi = 0.181043462607 TCL: Center of mass = 26.399390795 -0.675165930031 -2.9957728193 TCL: atom 1: phi = 0.180757424399 TCL: Center of mass = 26.4028441572 -0.675094207506 -2.99576912218 TCL: atom 1: phi = 0.180364295605 TCL: Center of mass = 26.4062921486 -0.675016676926 -2.99575564759 TCL: atom 1: phi = 0.180422592015 TCL: Center of mass = 26.4097351608 -0.674924606502 -2.99574168691 TCL: atom 1: phi = 0.180303665191 TCL: Center of mass = 26.4131765735 -0.674837061531 -2.99573030451 TCL: atom 1: phi = 0.180553343864 TCL: Center of mass = 26.416617607 -0.674753578586 -2.99572231953 TCL: atom 1: phi = 0.18055934211 TCL: Center of mass = 26.4200495042 -0.674665869855 -2.99571265876 TCL: atom 1: phi = 0.180917561641 TCL: Center of mass = 26.4234887888 -0.674574405769 -2.99570278752 TCL: atom 1: phi = 0.181033178284 TCL: Center of mass = 26.4269365805 -0.674491069211 -2.99568963913 TCL: atom 1: phi = 0.181471013176 TCL: Center of mass = 26.4303893048 -0.674424127512 -2.99567172868 TCL: atom 1: phi = 0.181589074752 TCL: Center of mass = 26.4338363949 -0.674363590605 -2.99566492295 TCL: atom 1: phi = 0.182015560069 TCL: Center of mass = 26.43727926 -0.674311772162 -2.99564877891 TCL: atom 1: phi = 0.182121236314 TCL: Center of mass = 26.4407235954 -0.674270758139 -2.99561829151 TCL: atom 1: phi = 0.18241723768 TCL: Center of mass = 26.4441687096 -0.674216102231 -2.99558758654 TCL: atom 1: phi = 0.182208682339 TCL: Center of mass = 26.4476153256 -0.674161246525 -2.99556149123 TCL: atom 1: phi = 0.182103885997 TCL: Center of mass = 26.4510706063 -0.674105716396 -2.99554310218 TCL: atom 1: phi = 0.181467581899 TCL: Center of mass = 26.4545294703 -0.674036090912 -2.99552973439 TCL: atom 1: phi = 0.180863593719 TCL: Center of mass = 26.4579889156 -0.67396444595 -2.99551174136 TCL: atom 1: phi = 0.179758121806 TCL: Center of mass = 26.4614516886 -0.673888230285 -2.99550185316 TCL: atom 1: phi = 0.178879517149 TCL: Center of mass = 26.464917052 -0.673823950707 -2.99549362351 TCL: atom 1: phi = 0.177756295187 TCL: Center of mass = 26.4683918309 -0.673752904542 -2.99549000132 TCL: atom 1: phi = 0.177021076037 TCL: Center of mass = 26.4718600706 -0.673680823312 -2.99548874162 TCL: atom 1: phi = 0.176160778323 TCL: Center of mass = 26.4753369129 -0.673603419459 -2.99546831246 TCL: atom 1: phi = 0.175715377984 TCL: Center of mass = 26.478821039 -0.67352953701 -2.99544840011 TCL: atom 1: phi = 0.175173907543 TCL: Center of mass = 26.4823071513 -0.673454971744 -2.9954367012 TCL: atom 1: phi = 0.175006872997 TCL: Center of mass = 26.4857998845 -0.673376930097 -2.99543083969 TCL: atom 1: phi = 0.174649838868 TCL: Center of mass = 26.4893040213 -0.673295603205 -2.99541194525 TCL: atom 1: phi = 0.174597627122 TCL: Center of mass = 26.492814692 -0.673219322465 -2.99539515846 TCL: atom 1: phi = 0.174350480891 TCL: Center of mass = 26.4963267616 -0.673137682855 -2.99538655446 TCL: atom 1: phi = 0.174388072001 TCL: Center of mass = 26.4998431931 -0.673048741888 -2.99537558058 TCL: atom 1: phi = 0.174302389567 TCL: Center of mass = 26.503365223 -0.672959430567 -2.99537372899 TCL: atom 1: phi = 0.174580892203 TCL: Center of mass = 26.5068922666 -0.672868434872 -2.99536128711 TCL: atom 1: phi = 0.174700455249 TCL: Center of mass = 26.510414718 -0.672785301297 -2.99535232535 TCL: atom 1: phi = 0.175094200815 TCL: Center of mass = 26.5139392634 -0.672704898863 -2.99534341081 TCL: atom 1: phi = 0.17520846331 TCL: Center of mass = 26.5174651957 -0.67262094546 -2.99534877803 TCL: atom 1: phi = 0.175480232738 TCL: Center of mass = 26.5209911022 -0.672535073131 -2.99536078603 TCL: atom 1: phi = 0.175401674108 TCL: Center of mass = 26.524515476 -0.672446994887 -2.99536990266 TCL: atom 1: phi = 0.175395875109 TCL: Center of mass = 26.5280413864 -0.672359865173 -2.99536794406 TCL: atom 1: phi = 0.174996687219 TCL: Center of mass = 26.5315772135 -0.672266348853 -2.99535855844 TCL: atom 1: phi = 0.174742013819 TCL: Center of mass = 26.5351092467 -0.672183131713 -2.99536101949 TCL: atom 1: phi = 0.174233524531 TCL: Center of mass = 26.5386404906 -0.672102805144 -2.99537159064 TCL: atom 1: phi = 0.174018775563 TCL: Center of mass = 26.5421704143 -0.672016212447 -2.99538607058 TCL: atom 1: phi = 0.173727337226 TCL: Center of mass = 26.5456910347 -0.671943435707 -2.99539494177 TCL: atom 1: phi = 0.17383764576 TCL: Center of mass = 26.5492119213 -0.671876784405 -2.99540390308 TCL: atom 1: phi = 0.173901950484 TCL: Center of mass = 26.5527365288 -0.671804089326 -2.9954089156 TCL: atom 1: phi = 0.174333186175 TCL: Center of mass = 26.5562749718 -0.671722310953 -2.99541584754 TCL: atom 1: phi = 0.174612602169 TCL: Center of mass = 26.559810916 -0.67164577047 -2.99541455806 TCL: atom 1: phi = 0.175139397311 TCL: Center of mass = 26.5633520338 -0.671564833026 -2.99542281087 TCL: atom 1: phi = 0.175455702171 TCL: Center of mass = 26.5668890976 -0.671479021314 -2.99543595789 TCL: atom 1: phi = 0.176000586742 TCL: Center of mass = 26.5704276747 -0.671383725596 -2.99546709195 TCL: atom 1: phi = 0.176367849732 TCL: Center of mass = 26.5739650812 -0.671283691321 -2.9954960374 TCL: atom 1: phi = 0.177110562392 TCL: Center of mass = 26.5774963179 -0.671175767411 -2.99551326512 TCL: atom 1: phi = 0.177691777101 TCL: Center of mass = 26.5810216455 -0.671067412309 -2.99552690818 TCL: atom 1: phi = 0.178571690714 TCL: Center of mass = 26.5845475635 -0.670974470206 -2.99551991959 TCL: atom 1: phi = 0.179241689765 TCL: Center of mass = 26.5880775758 -0.67087776103 -2.99550791217 TCL: atom 1: phi = 0.180098653616 TCL: Center of mass = 26.5916022264 -0.670781668988 -2.9954973188 TCL: atom 1: phi = 0.18064211791 TCL: Center of mass = 26.5951249402 -0.670686814035 -2.99549924608 TCL: atom 1: phi = 0.181255272734 TCL: Center of mass = 26.5986487503 -0.670587126396 -2.99549423062 TCL: atom 1: phi = 0.181427339658 TCL: Center of mass = 26.6021641074 -0.670482465755 -2.99549698144 TCL: atom 1: phi = 0.181652531638 TCL: Center of mass = 26.6056734506 -0.670372782715 -2.99549413791 TCL: atom 1: phi = 0.181535621013 TCL: Center of mass = 26.609181838 -0.670266816515 -2.9955043343 TCL: atom 1: phi = 0.181691833202 TCL: Center of mass = 26.6126957748 -0.670165918796 -2.99552219191 TCL: atom 1: phi = 0.18171496218 TCL: Center of mass = 26.6162087787 -0.670064893626 -2.99555441764 TCL: atom 1: phi = 0.182213975167 TCL: Center of mass = 26.6197205788 -0.669958245839 -2.99557753525 TCL: atom 1: phi = 0.182603728247 TCL: Center of mass = 26.6232365899 -0.669843544089 -2.99559520402 TCL: atom 1: phi = 0.183423763854 TCL: Center of mass = 26.6267592407 -0.669718002789 -2.9956166342 TCL: atom 1: phi = 0.183970066234 TCL: Center of mass = 26.6302804675 -0.669581974614 -2.99563707638 TCL: atom 1: phi = 0.184793310473 TCL: Center of mass = 26.6338140892 -0.669456004364 -2.99565465952 TCL: atom 1: phi = 0.185168536161 TCL: Center of mass = 26.6373545842 -0.669341623463 -2.99568512435 TCL: atom 1: phi = 0.18563673125 TCL: Center of mass = 26.6408987181 -0.669232483961 -2.99571513244 TCL: atom 1: phi = 0.185621876685 TCL: Center of mass = 26.6444446973 -0.669128183259 -2.99574736843 TCL: atom 1: phi = 0.185812930469 TCL: Center of mass = 26.6479985956 -0.669021239943 -2.99576721381 TCL: atom 1: phi = 0.185656775742 TCL: Center of mass = 26.6515572864 -0.668921291189 -2.99579492088 TCL: atom 1: phi = 0.185728817978 TCL: Center of mass = 26.6551234812 -0.668819975128 -2.99583031795 TCL: atom 1: phi = 0.185517581482 TCL: Center of mass = 26.6586965863 -0.668705765124 -2.99585998133 TCL: atom 1: phi = 0.185533539414 TCL: Center of mass = 26.6622810127 -0.66860295007 -2.9958813978 TCL: atom 1: phi = 0.185244624608 TCL: Center of mass = 26.665865404 -0.668507739185 -2.99590705869 TCL: atom 1: phi = 0.185060420834 TCL: Center of mass = 26.6694503092 -0.668423788814 -2.99594298635 TCL: atom 1: phi = 0.184383343001 TCL: Center of mass = 26.6730355878 -0.668327278639 -2.99597762253 TCL: atom 1: phi = 0.183775824802 TCL: Center of mass = 26.6766115927 -0.668230548163 -2.99600474786 TCL: atom 1: phi = 0.182862019731 TCL: Center of mass = 26.6801844371 -0.668137604502 -2.99602748371 TCL: atom 1: phi = 0.182158361579 TCL: Center of mass = 26.683748266 -0.668035631254 -2.99606165536 TCL: atom 1: phi = 0.181326863652 TCL: Center of mass = 26.6873224613 -0.667922364909 -2.99607395224 TCL: atom 1: phi = 0.180951921404 TCL: Center of mass = 26.6908965344 -0.667813374153 -2.99609450219 TCL: atom 1: phi = 0.18066562064 TCL: Center of mass = 26.6944747162 -0.667692892045 -2.99611967331 TCL: atom 1: phi = 0.180772559266 TCL: Center of mass = 26.6980627611 -0.667566995535 -2.99614948586 TCL: atom 1: phi = 0.180826588749 TCL: Center of mass = 26.7016483319 -0.667453286201 -2.99617794226 TCL: atom 1: phi = 0.181129225763 TCL: Center of mass = 26.705242804 -0.6673321338 -2.99622270391 TCL: atom 1: phi = 0.181169853261 TCL: Center of mass = 26.7088418544 -0.667211278445 -2.99626605174 TCL: atom 1: phi = 0.181292588878 TIMING: 9700 CPU: 1659.21, 0.173644/step Wall: 2028.17, 0.21124/step, 0.604381 hours remaining, 21960 kB of memory in use. ENERGY: 9700 404.3549 652.0110 414.7230 43.7494 -2768.5320 -216.3338 0.0000 0.0000 1143.1099 -326.9176 311.5294 -318.1803 -319.0823 310.9751 524.0957 357.7989 64000.0000 556.7381 559.5878 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9700 WRITING COORDINATES TO DCD FILE AT STEP 9700 WRITING COORDINATES TO RESTART FILE AT STEP 9700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 26.7124372854 -0.667078131904 -2.99631569485 TCL: atom 1: phi = 0.18111531931 TCL: Center of mass = 26.7160360421 -0.666935728407 -2.99636057548 TCL: atom 1: phi = 0.180991958247 TCL: Center of mass = 26.7196360949 -0.666789189038 -2.99639913729 TCL: atom 1: phi = 0.180743665889 TCL: Center of mass = 26.7232353016 -0.666636875505 -2.99643328789 TCL: atom 1: phi = 0.180747295351 TCL: Center of mass = 26.7268250165 -0.666480787597 -2.996481127 TCL: atom 1: phi = 0.1806530928 TCL: Center of mass = 26.7304116425 -0.666321207273 -2.99653400608 TCL: atom 1: phi = 0.180882621671 TCL: Center of mass = 26.7340127974 -0.666155066214 -2.99659102134 TCL: atom 1: phi = 0.181026073728 TCL: Center of mass = 26.7376240177 -0.665984433795 -2.99665370538 TCL: atom 1: phi = 0.18128897383 TCL: Center of mass = 26.7412323487 -0.665805362061 -2.99671976609 TCL: atom 1: phi = 0.181272579242 TCL: Center of mass = 26.7448417124 -0.665626288939 -2.99679563437 TCL: atom 1: phi = 0.181306121443 TCL: Center of mass = 26.7484415108 -0.665453851763 -2.99686972865 TCL: atom 1: phi = 0.181098998473 TCL: Center of mass = 26.7520449171 -0.665280078109 -2.99695313026 TCL: atom 1: phi = 0.181016984806 TCL: Center of mass = 26.7556495864 -0.6650992491 -2.99704750326 TCL: atom 1: phi = 0.180837201324 TCL: Center of mass = 26.7592451465 -0.664922837876 -2.99713677613 TCL: atom 1: phi = 0.181067224687 TCL: Center of mass = 26.7628491505 -0.664734534314 -2.99722522242 TCL: atom 1: phi = 0.181396012702 TCL: Center of mass = 26.7664459005 -0.664546213861 -2.997317615 TCL: atom 1: phi = 0.182164534362 TCL: Center of mass = 26.7700276159 -0.664367150149 -2.99740727239 TCL: atom 1: phi = 0.18294887282 TCL: Center of mass = 26.773599147 -0.664196071864 -2.99750396496 TCL: atom 1: phi = 0.183986378902 TCL: Center of mass = 26.7771748913 -0.664025608624 -2.99759430065 TCL: atom 1: phi = 0.184784591379 TCL: Center of mass = 26.7807508323 -0.663844680993 -2.99768346524 TCL: atom 1: phi = 0.185685220084 TCL: Center of mass = 26.7843194597 -0.663660673384 -2.9977714307 TCL: atom 1: phi = 0.186143812677 TCL: Center of mass = 26.7878841474 -0.663477837073 -2.99786350162 TCL: atom 1: phi = 0.186688480886 TCL: Center of mass = 26.791449253 -0.663284749634 -2.99794926915 TCL: atom 1: phi = 0.186917236043 TCL: Center of mass = 26.7950054091 -0.663098718594 -2.99804278576 TCL: atom 1: phi = 0.187328139667 TCL: Center of mass = 26.7985722497 -0.662915100507 -2.998131958 TCL: atom 1: phi = 0.187554831978 TCL: Center of mass = 26.8021345835 -0.662732707687 -2.99821235071 TCL: atom 1: phi = 0.18805635845 TCL: Center of mass = 26.8056956553 -0.662548285272 -2.99829986515 TCL: atom 1: phi = 0.188356860453 TCL: Center of mass = 26.8092522583 -0.66235982014 -2.99838117062 TCL: atom 1: phi = 0.188831593077 TCL: Center of mass = 26.8128086989 -0.662173631699 -2.99845679905 TCL: atom 1: phi = 0.189069737443 TCL: Center of mass = 26.8163636087 -0.66198048387 -2.99851456243 TCL: atom 1: phi = 0.189402396455 TCL: Center of mass = 26.8199149742 -0.661784848236 -2.99857110411 TCL: atom 1: phi = 0.189438351391 TCL: Center of mass = 26.823457667 -0.661601175317 -2.99863352823 TCL: atom 1: phi = 0.189650860272 TCL: Center of mass = 26.8269983313 -0.661421831588 -2.99869387235 TCL: atom 1: phi = 0.189718750256 TCL: Center of mass = 26.8305316687 -0.661242226148 -2.99875228839 TCL: atom 1: phi = 0.190163489342 TCL: Center of mass = 26.8340635437 -0.661067909635 -2.99882410322 TCL: atom 1: phi = 0.190683244289 TCL: Center of mass = 26.8375870251 -0.660893330463 -2.99889291838 TCL: atom 1: phi = 0.191726138277 TCL: Center of mass = 26.8411058706 -0.660710399159 -2.99896725239 TCL: atom 1: phi = 0.192780979579 TCL: Center of mass = 26.8446209659 -0.660537659936 -2.99903840047 TCL: atom 1: phi = 0.194282682287 TCL: Center of mass = 26.8481381694 -0.660365070402 -2.99909196987 TCL: atom 1: phi = 0.195620535126 TCL: Center of mass = 26.8516563928 -0.660199971408 -2.99915501384 TCL: atom 1: phi = 0.197093283816 TCL: Center of mass = 26.8551736091 -0.660031111283 -2.99922732432 TCL: atom 1: phi = 0.198123934057 TCL: Center of mass = 26.8586894745 -0.659872636971 -2.99930019055 TCL: atom 1: phi = 0.199214253969 TCL: Center of mass = 26.8622110683 -0.65972357187 -2.99935964018 TCL: atom 1: phi = 0.199904302443 TCL: Center of mass = 26.8657257106 -0.65957453993 -2.99941765617 TCL: atom 1: phi = 0.200732292594 TCL: Center of mass = 26.8692367476 -0.659431486792 -2.99947705574 TCL: atom 1: phi = 0.201233366076 TCL: Center of mass = 26.8727388509 -0.659287715751 -2.99954176475 TCL: atom 1: phi = 0.202061200439 TCL: Center of mass = 26.8762223633 -0.659138121601 -2.99961120057 TCL: atom 1: phi = 0.20266613581 TCL: Center of mass = 26.8797047218 -0.658974625846 -2.99968775677 TCL: atom 1: phi = 0.203557958406 TCL: Center of mass = 26.8831930074 -0.658805776949 -2.99976625474 TCL: atom 1: phi = 0.204080221637 TCL: Center of mass = 26.8866779942 -0.658644945407 -2.99984427569 TCL: atom 1: phi = 0.204662743766 TCL: Center of mass = 26.8901584045 -0.658490606598 -2.99992169758 TCL: atom 1: phi = 0.204780077556 TCL: Center of mass = 26.8936230464 -0.658324015683 -3.00000009915 TCL: atom 1: phi = 0.204881135784 TCL: Center of mass = 26.8970780446 -0.658160351602 -3.00007445529 TCL: atom 1: phi = 0.204561143667 TCL: Center of mass = 26.9005228948 -0.658005217201 -3.00014403164 TCL: atom 1: phi = 0.204486681709 TCL: Center of mass = 26.9039704276 -0.657854105117 -3.000198055 TCL: atom 1: phi = 0.204250346425 TCL: Center of mass = 26.9074171753 -0.657700398923 -3.0002455657 TCL: atom 1: phi = 0.204439652394 TCL: Center of mass = 26.9108631322 -0.6575450879 -3.00029210623 TCL: atom 1: phi = 0.204549126668 TCL: Center of mass = 26.9142984008 -0.657403994279 -3.00032998275 TCL: atom 1: phi = 0.204969615409 TCL: Center of mass = 26.9177275947 -0.657258861265 -3.00036691544 TCL: atom 1: phi = 0.20514493154 TCL: Center of mass = 26.9211615823 -0.657105217444 -3.00039940802 TCL: atom 1: phi = 0.205416257599 TCL: Center of mass = 26.9245913347 -0.656958508201 -3.0004369177 TCL: atom 1: phi = 0.20523614098 TCL: Center of mass = 26.9280273367 -0.65680981444 -3.00047112165 TCL: atom 1: phi = 0.204958628198 TCL: Center of mass = 26.9314729388 -0.656666395286 -3.00050139851 TCL: atom 1: phi = 0.204259075465 TCL: Center of mass = 26.9349189262 -0.656529065331 -3.00053142713 TCL: atom 1: phi = 0.203646855664 TCL: Center of mass = 26.9383663283 -0.656385152878 -3.00056190499 TCL: atom 1: phi = 0.202804401771 TCL: Center of mass = 26.9418111616 -0.656233288963 -3.00058828242 TCL: atom 1: phi = 0.202267661461 TCL: Center of mass = 26.9452502239 -0.656087774866 -3.00061282748 TCL: atom 1: phi = 0.201656276944 TCL: Center of mass = 26.9486881886 -0.655946888396 -3.00064469753 TCL: atom 1: phi = 0.201336860274 TCL: Center of mass = 26.9521260105 -0.655795421079 -3.00067940645 TCL: atom 1: phi = 0.200915841338 TCL: Center of mass = 26.9555635744 -0.655652672197 -3.00071943232 TCL: atom 1: phi = 0.200615165472 TCL: Center of mass = 26.9590003243 -0.655516344485 -3.0007679796 TCL: atom 1: phi = 0.200101954753 TCL: Center of mass = 26.9624325146 -0.655364510718 -3.00081559499 TCL: atom 1: phi = 0.199652874513 TCL: Center of mass = 26.9658580124 -0.655221353257 -3.00085394244 TCL: atom 1: phi = 0.198983703297 TCL: Center of mass = 26.9692805554 -0.655085845033 -3.00089044486 TCL: atom 1: phi = 0.198487887072 TCL: Center of mass = 26.9726969778 -0.654959820314 -3.00090810559 TCL: atom 1: phi = 0.198013072502 TCL: Center of mass = 26.9761174626 -0.654841197278 -3.00091494795 TCL: atom 1: phi = 0.197923296356 TCL: Center of mass = 26.9795437473 -0.6547288779 -3.0009209616 TCL: atom 1: phi = 0.197971142791 TCL: Center of mass = 26.9829693388 -0.654626300746 -3.00091627652 TCL: atom 1: phi = 0.198390936704 TCL: Center of mass = 26.986387635 -0.654526052764 -3.0009111577 TCL: atom 1: phi = 0.19873071947 TCL: Center of mass = 26.9897986773 -0.654425152084 -3.00090992179 TCL: atom 1: phi = 0.199214456438 TCL: Center of mass = 26.9932020187 -0.65433518461 -3.00091229486 TCL: atom 1: phi = 0.199308343051 TCL: Center of mass = 26.9966053024 -0.65422759714 -3.00091431287 TCL: atom 1: phi = 0.199342471545 TCL: Center of mass = 27.0000109415 -0.654119320337 -3.00092957668 TCL: atom 1: phi = 0.198939208414 TCL: Center of mass = 27.0034120141 -0.654013452584 -3.00094134607 TCL: atom 1: phi = 0.19851930573 TCL: Center of mass = 27.0068031537 -0.653914630633 -3.00094744183 TCL: atom 1: phi = 0.197841194548 TCL: Center of mass = 27.0101855097 -0.653811894434 -3.00095941147 TCL: atom 1: phi = 0.197295398427 TCL: Center of mass = 27.013579897 -0.653715907641 -3.00096356909 TCL: atom 1: phi = 0.196657060384 TCL: Center of mass = 27.0169759502 -0.653622880591 -3.00097754347 TCL: atom 1: phi = 0.196317092056 TCL: Center of mass = 27.0203653648 -0.653524066274 -3.00100211439 TCL: atom 1: phi = 0.195850564822 TCL: Center of mass = 27.0237540811 -0.653429493334 -3.00103752105 TCL: atom 1: phi = 0.195624846772 TCL: Center of mass = 27.0271477789 -0.653338100612 -3.00107058752 TCL: atom 1: phi = 0.195232031281 TCL: Center of mass = 27.0305533889 -0.65324502759 -3.0010915216 TCL: atom 1: phi = 0.195037105472 TCL: Center of mass = 27.0339505677 -0.653156779303 -3.00111485581 TCL: atom 1: phi = 0.194662457761 TCL: Center of mass = 27.0373381545 -0.65305745881 -3.00114844636 TCL: atom 1: phi = 0.194572916492 TCL: Center of mass = 27.0407218635 -0.652967763822 -3.00118079302 TCL: atom 1: phi = 0.194475776457 TCL: Center of mass = 27.0441075673 -0.652881691833 -3.00121735456 TCL: atom 1: phi = 0.19485164834 TCL: Center of mass = 27.0474940393 -0.652806956984 -3.00124558958 TCL: atom 1: phi = 0.195367507262 TCL: Center of mass = 27.0508874043 -0.652735035541 -3.00128987239 TCL: atom 1: phi = 0.19634121774 TCL: Center of mass = 27.0542728782 -0.652671335074 -3.00133394388 TCL: atom 1: phi = 0.197294292895 TCL: Center of mass = 27.0576610811 -0.652606378648 -3.00137043683 TCL: atom 1: phi = 0.198450193078 TIMING: 9800 CPU: 1676.44, 0.172324/step Wall: 2049.27, 0.211074/step, 0.598042 hours remaining, 21960 kB of memory in use. ENERGY: 9800 430.8600 681.8973 411.2079 42.2052 -2780.9142 -222.4275 0.0000 0.0000 1141.5029 -295.6683 311.0915 -286.9436 -287.3835 313.6444 258.2923 290.5838 64000.0000 618.6985 621.6052 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9800 WRITING COORDINATES TO DCD FILE AT STEP 9800 WRITING COORDINATES TO RESTART FILE AT STEP 9800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 27.061059152 -0.652550031725 -3.00141183402 TCL: atom 1: phi = 0.199227759284 TCL: Center of mass = 27.0644696491 -0.652500543647 -3.00146273551 TCL: atom 1: phi = 0.199978725902 TCL: Center of mass = 27.0678793292 -0.652443671152 -3.00151742694 TCL: atom 1: phi = 0.200247628257 TCL: Center of mass = 27.0712979997 -0.65238903729 -3.00156697824 TCL: atom 1: phi = 0.200463881154 TCL: Center of mass = 27.0747179645 -0.652323613253 -3.00162543748 TCL: atom 1: phi = 0.200223258032 TCL: Center of mass = 27.0781388463 -0.652249801526 -3.00168868835 TCL: atom 1: phi = 0.200116104799 TCL: Center of mass = 27.0815546026 -0.65217143547 -3.00175721248 TCL: atom 1: phi = 0.199753059806 TCL: Center of mass = 27.0849831056 -0.65208638423 -3.00181707419 TCL: atom 1: phi = 0.199672069178 TCL: Center of mass = 27.0884096279 -0.652005110552 -3.00187678935 TCL: atom 1: phi = 0.199426064372 TCL: Center of mass = 27.0918404954 -0.651925041569 -3.00193419358 TCL: atom 1: phi = 0.199474983959 TCL: Center of mass = 27.0952637764 -0.651859504048 -3.00199896183 TCL: atom 1: phi = 0.199261691028 TCL: Center of mass = 27.0986877297 -0.651793056842 -3.00205918891 TCL: atom 1: phi = 0.199269976659 TCL: Center of mass = 27.1021129817 -0.651725502668 -3.00211798524 TCL: atom 1: phi = 0.199008327598 TCL: Center of mass = 27.1055304044 -0.651658775076 -3.00217639777 TCL: atom 1: phi = 0.199006228855 TCL: Center of mass = 27.108952056 -0.651581459233 -3.00223558593 TCL: atom 1: phi = 0.198837421557 TCL: Center of mass = 27.112374165 -0.651508624764 -3.00229252388 TCL: atom 1: phi = 0.199124976329 TCL: Center of mass = 27.1157986579 -0.651429959685 -3.00236229575 TCL: atom 1: phi = 0.199389851107 TCL: Center of mass = 27.1192197173 -0.65134450207 -3.00243381887 TCL: atom 1: phi = 0.200216091321 TCL: Center of mass = 27.1226400895 -0.651256456933 -3.0024964003 TCL: atom 1: phi = 0.2009872395 TCL: Center of mass = 27.1260584055 -0.651170334962 -3.00256292045 TCL: atom 1: phi = 0.202111086681 TCL: Center of mass = 27.1294667297 -0.65108063881 -3.00264541862 TCL: atom 1: phi = 0.202837879986 TCL: Center of mass = 27.1328750007 -0.650992043235 -3.002714976 TCL: atom 1: phi = 0.20366794119 TCL: Center of mass = 27.1362863996 -0.650902472496 -3.00279483076 TCL: atom 1: phi = 0.203936439303 TCL: Center of mass = 27.1397169446 -0.650812251187 -3.00287388662 TCL: atom 1: phi = 0.204170218061 TCL: Center of mass = 27.1431440206 -0.650730858734 -3.0029530131 TCL: atom 1: phi = 0.203842409635 TCL: Center of mass = 27.1465631503 -0.650647802056 -3.00301904423 TCL: atom 1: phi = 0.203590873233 TCL: Center of mass = 27.1499827844 -0.650575514317 -3.00308550619 TCL: atom 1: phi = 0.202957246358 TCL: Center of mass = 27.1533949288 -0.650511181883 -3.00314476931 TCL: atom 1: phi = 0.202634888447 TCL: Center of mass = 27.1568157274 -0.650437896966 -3.00321486932 TCL: atom 1: phi = 0.202102364517 TCL: Center of mass = 27.1602472396 -0.650356219851 -3.00328493705 TCL: atom 1: phi = 0.201946878553 TCL: Center of mass = 27.1636852601 -0.650264432847 -3.00335113298 TCL: atom 1: phi = 0.201576018083 TCL: Center of mass = 27.1671311362 -0.650179208657 -3.00342428978 TCL: atom 1: phi = 0.201541712648 TCL: Center of mass = 27.1705705806 -0.650097467947 -3.00349390115 TCL: atom 1: phi = 0.201231698285 TCL: Center of mass = 27.1739968234 -0.650007130166 -3.0035519881 TCL: atom 1: phi = 0.201205556398 TCL: Center of mass = 27.1774151715 -0.649911931968 -3.0036096355 TCL: atom 1: phi = 0.200990815779 TCL: Center of mass = 27.1808205631 -0.649812358508 -3.00365715723 TCL: atom 1: phi = 0.201244256493 TCL: Center of mass = 27.1842289895 -0.649721192813 -3.00370299981 TCL: atom 1: phi = 0.201457397876 TCL: Center of mass = 27.1876317241 -0.649627284583 -3.00374531715 TCL: atom 1: phi = 0.202266814847 TCL: Center of mass = 27.1910347566 -0.649537151897 -3.00378879791 TCL: atom 1: phi = 0.203048668113 TCL: Center of mass = 27.1944390931 -0.649446461694 -3.0038360153 TCL: atom 1: phi = 0.204323535548 TCL: Center of mass = 27.1978476023 -0.649359834909 -3.00388287311 TCL: atom 1: phi = 0.205311407859 TCL: Center of mass = 27.2012550535 -0.649265979326 -3.00393369257 TCL: atom 1: phi = 0.206464360457 TCL: Center of mass = 27.2046611736 -0.649177772559 -3.00398470421 TCL: atom 1: phi = 0.207024051733 TCL: Center of mass = 27.2080685317 -0.649094393002 -3.00404632152 TCL: atom 1: phi = 0.207601982113 TCL: Center of mass = 27.2114831312 -0.649013724957 -3.00409650198 TCL: atom 1: phi = 0.207586461485 TCL: Center of mass = 27.2148934931 -0.648936769782 -3.00414385338 TCL: atom 1: phi = 0.207608623107 TCL: Center of mass = 27.2183017057 -0.648861995613 -3.00419374924 TCL: atom 1: phi = 0.207112802694 TCL: Center of mass = 27.221702529 -0.648786670446 -3.00424305018 TCL: atom 1: phi = 0.20680267474 TCL: Center of mass = 27.2251112089 -0.648715636947 -3.00428637448 TCL: atom 1: phi = 0.206200339865 TCL: Center of mass = 27.2285425209 -0.648656653178 -3.00431764918 TCL: atom 1: phi = 0.205946128481 TCL: Center of mass = 27.2319873654 -0.648589159293 -3.00434286615 TCL: atom 1: phi = 0.205425520551 TCL: Center of mass = 27.2354253024 -0.648519713295 -3.00436309903 TCL: atom 1: phi = 0.205207261531 TCL: Center of mass = 27.2388629049 -0.648451212454 -3.0043880854 TCL: atom 1: phi = 0.20468444846 TCL: Center of mass = 27.2422981988 -0.648376974011 -3.00442141135 TCL: atom 1: phi = 0.204445729027 TCL: Center of mass = 27.245733883 -0.648308177962 -3.0044473352 TCL: atom 1: phi = 0.204017585193 TCL: Center of mass = 27.2491658967 -0.648237376339 -3.00446910756 TCL: atom 1: phi = 0.204018354115 TCL: Center of mass = 27.2525951275 -0.648165599805 -3.00448817351 TCL: atom 1: phi = 0.203924208506 TCL: Center of mass = 27.2560192913 -0.64808470891 -3.00450157111 TCL: atom 1: phi = 0.204377409623 TCL: Center of mass = 27.2594422082 -0.648006989834 -3.00452386185 TCL: atom 1: phi = 0.204774648297 TCL: Center of mass = 27.2628730429 -0.647925079671 -3.00455219284 TCL: atom 1: phi = 0.205622615677 TCL: Center of mass = 27.2662953213 -0.647839231533 -3.00459183098 TCL: atom 1: phi = 0.206276757164 TCL: Center of mass = 27.2697216582 -0.647750352861 -3.00463679528 TCL: atom 1: phi = 0.207252340837 TCL: Center of mass = 27.2731548348 -0.647655147582 -3.00467541078 TCL: atom 1: phi = 0.207868558614 TCL: Center of mass = 27.2765839448 -0.647554237197 -3.00472845344 TCL: atom 1: phi = 0.208620043018 TCL: Center of mass = 27.2799961465 -0.647463791168 -3.0047913827 TCL: atom 1: phi = 0.208955111853 TCL: Center of mass = 27.2834176508 -0.647370368382 -3.00484264761 TCL: atom 1: phi = 0.209366165071 TCL: Center of mass = 27.2868245621 -0.647284814039 -3.00489140687 TCL: atom 1: phi = 0.209396559834 TCL: Center of mass = 27.2902237222 -0.647204913644 -3.00493386809 TCL: atom 1: phi = 0.209653321396 TCL: Center of mass = 27.2936205647 -0.647127126102 -3.00497437957 TCL: atom 1: phi = 0.209634710229 TCL: Center of mass = 27.2970098028 -0.647042832701 -3.00501381907 TCL: atom 1: phi = 0.209924847056 TCL: Center of mass = 27.3004030132 -0.646951753434 -3.00505797094 TCL: atom 1: phi = 0.210008901001 TCL: Center of mass = 27.3037987831 -0.646865540379 -3.00510344382 TCL: atom 1: phi = 0.210363366907 TCL: Center of mass = 27.3071875189 -0.646764723608 -3.00514641031 TCL: atom 1: phi = 0.210453586236 TCL: Center of mass = 27.3105706179 -0.646655609274 -3.00518128504 TCL: atom 1: phi = 0.210682364693 TCL: Center of mass = 27.3139550521 -0.646542698796 -3.00522228822 TCL: atom 1: phi = 0.210603285118 TCL: Center of mass = 27.3173411206 -0.646422716554 -3.00526768225 TCL: atom 1: phi = 0.210753611101 TCL: Center of mass = 27.3207351484 -0.646298752246 -3.00531045025 TCL: atom 1: phi = 0.210558368438 TCL: Center of mass = 27.324131702 -0.646182399525 -3.00535684452 TCL: atom 1: phi = 0.210686759594 TCL: Center of mass = 27.3275255575 -0.646068441599 -3.00540554769 TCL: atom 1: phi = 0.210630598546 TCL: Center of mass = 27.3309139007 -0.645966107131 -3.00545358122 TCL: atom 1: phi = 0.210927973495 TCL: Center of mass = 27.3343033858 -0.645876798708 -3.0055034064 TCL: atom 1: phi = 0.211041660003 TCL: Center of mass = 27.3376852165 -0.645793797767 -3.00555545522 TCL: atom 1: phi = 0.211393728096 TCL: Center of mass = 27.3410656247 -0.645730315397 -3.00561068004 TCL: atom 1: phi = 0.21145088045 TCL: Center of mass = 27.3444489491 -0.645674056543 -3.00566265901 TCL: atom 1: phi = 0.211673434473 TCL: Center of mass = 27.3478251766 -0.645621686344 -3.00571421764 TCL: atom 1: phi = 0.211545423557 TCL: Center of mass = 27.3512119481 -0.64557204196 -3.00577353793 TCL: atom 1: phi = 0.211503379927 TCL: Center of mass = 27.3545983283 -0.645521595119 -3.00583008054 TCL: atom 1: phi = 0.211112913577 TCL: Center of mass = 27.3579853627 -0.645473990107 -3.00589244034 TCL: atom 1: phi = 0.210955554279 TCL: Center of mass = 27.3613581378 -0.645427758828 -3.00594754716 TCL: atom 1: phi = 0.210613341317 TCL: Center of mass = 27.364737558 -0.645376307072 -3.00599291972 TCL: atom 1: phi = 0.210587926767 TCL: Center of mass = 27.3681191897 -0.645318780729 -3.00604273107 TCL: atom 1: phi = 0.21047896278 TCL: Center of mass = 27.3714858216 -0.645271925818 -3.00607920481 TCL: atom 1: phi = 0.210693776407 TCL: Center of mass = 27.3748470235 -0.645222425804 -3.00611670125 TCL: atom 1: phi = 0.210828491255 TCL: Center of mass = 27.378197224 -0.645175149377 -3.00616139872 TCL: atom 1: phi = 0.21121575579 TCL: Center of mass = 27.3815480408 -0.645121836128 -3.00620414061 TCL: atom 1: phi = 0.211492292946 TCL: Center of mass = 27.3849024535 -0.645071720844 -3.00625251969 TCL: atom 1: phi = 0.212065077181 TCL: Center of mass = 27.3882628762 -0.64502264261 -3.00628525232 TCL: atom 1: phi = 0.212535649494 TCL: Center of mass = 27.3916222512 -0.644981289671 -3.00630617228 TCL: atom 1: phi = 0.213433883549 TCL: Center of mass = 27.394981183 -0.6449516046 -3.00632813392 TCL: atom 1: phi = 0.214276465678 TCL: Center of mass = 27.3983421412 -0.644927047009 -3.00634593894 TCL: atom 1: phi = 0.215539796585 TIMING: 9900 CPU: 1693.68, 0.172444/step Wall: 2070.39, 0.2112/step, 0.592532 hours remaining, 21960 kB of memory in use. ENERGY: 9900 405.3528 688.3769 405.0305 50.2720 -2769.4452 -230.1632 0.0000 0.0000 1161.8601 -288.7161 316.6394 -279.5218 -281.2206 316.6139 392.5415 510.8665 64000.0000 818.3220 813.9099 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 9900 WRITING COORDINATES TO DCD FILE AT STEP 9900 WRITING COORDINATES TO RESTART FILE AT STEP 9900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 9900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 27.4016983204 -0.644901475108 -3.00635588063 TCL: atom 1: phi = 0.216733227087 TCL: Center of mass = 27.4050481155 -0.644878208053 -3.00636460393 TCL: atom 1: phi = 0.218318814659 TCL: Center of mass = 27.4084037129 -0.644870083357 -3.00638418937 TCL: atom 1: phi = 0.219600170553 TCL: Center of mass = 27.4117474297 -0.644860458552 -3.00640901891 TCL: atom 1: phi = 0.221021204008 TCL: Center of mass = 27.4150921447 -0.644861752389 -3.00643625468 TCL: atom 1: phi = 0.221979668991 TCL: Center of mass = 27.4184469871 -0.64486040514 -3.0064625776 TCL: atom 1: phi = 0.223053898956 TCL: Center of mass = 27.4217957361 -0.644853719688 -3.00648991894 TCL: atom 1: phi = 0.223649609387 TCL: Center of mass = 27.4251345862 -0.644845441945 -3.00651719428 TCL: atom 1: phi = 0.224462053591 TCL: Center of mass = 27.4284689162 -0.644832908193 -3.00653624833 TCL: atom 1: phi = 0.224830838379 TCL: Center of mass = 27.431794845 -0.644823504099 -3.00656688709 TCL: atom 1: phi = 0.225579042239 TCL: Center of mass = 27.4351350521 -0.644810463459 -3.00659991775 TCL: atom 1: phi = 0.226109254366 TCL: Center of mass = 27.4384718477 -0.644800002666 -3.00662967833 TCL: atom 1: phi = 0.227050478801 TCL: Center of mass = 27.4417986643 -0.644800716238 -3.00665774342 TCL: atom 1: phi = 0.227660890794 TCL: Center of mass = 27.445119768 -0.644799490701 -3.00667540509 TCL: atom 1: phi = 0.228636449759 TCL: Center of mass = 27.4484370002 -0.644792951998 -3.00670228322 TCL: atom 1: phi = 0.229236348573 TCL: Center of mass = 27.4517462536 -0.644796400415 -3.00673101987 TCL: atom 1: phi = 0.230103943579 TCL: Center of mass = 27.455058523 -0.644790970321 -3.00675580148 TCL: atom 1: phi = 0.230547373343 TCL: Center of mass = 27.4583618332 -0.644775905582 -3.00678849478 TCL: atom 1: phi = 0.231236186489 TCL: Center of mass = 27.4616751896 -0.644755973402 -3.00682811341 TCL: atom 1: phi = 0.231562852645 TCL: Center of mass = 27.4649840968 -0.644744051546 -3.00686947017 TCL: atom 1: phi = 0.232225252594 TCL: Center of mass = 27.4682937847 -0.644726367001 -3.00691351094 TCL: atom 1: phi = 0.232485620254 TCL: Center of mass = 27.4715997903 -0.644694268305 -3.00696833616 TCL: atom 1: phi = 0.233116222 TCL: Center of mass = 27.474899313 -0.64466325579 -3.00702474656 TCL: atom 1: phi = 0.233373431182 TCL: Center of mass = 27.4782031172 -0.644628982805 -3.00708105684 TCL: atom 1: phi = 0.233892489682 TCL: Center of mass = 27.4815187269 -0.644597619001 -3.00713275997 TCL: atom 1: phi = 0.233936795713 TCL: Center of mass = 27.4848427649 -0.644554153193 -3.00717738187 TCL: atom 1: phi = 0.234217417132 TCL: Center of mass = 27.4881683894 -0.644524024147 -3.00723069144 TCL: atom 1: phi = 0.234047475853 TCL: Center of mass = 27.4915023943 -0.644496750607 -3.00729933127 TCL: atom 1: phi = 0.234113347674 TCL: Center of mass = 27.4948257297 -0.644460141981 -3.00735685458 TCL: atom 1: phi = 0.233817851169 TCL: Center of mass = 27.498148656 -0.644414941637 -3.00740890052 TCL: atom 1: phi = 0.233894214677 TCL: Center of mass = 27.5014823127 -0.644363731017 -3.00746024405 TCL: atom 1: phi = 0.233703507173 TCL: Center of mass = 27.5048154262 -0.644314837797 -3.00750052878 TCL: atom 1: phi = 0.233944811934 TCL: Center of mass = 27.5081675256 -0.644267270264 -3.00754755148 TCL: atom 1: phi = 0.234056464592 TCL: Center of mass = 27.511522512 -0.644210131815 -3.00761139581 TCL: atom 1: phi = 0.234535625834 TCL: Center of mass = 27.5148567807 -0.644153013486 -3.00766971488 TCL: atom 1: phi = 0.234851051341 TCL: Center of mass = 27.5181911025 -0.644094396716 -3.00772671147 TCL: atom 1: phi = 0.235461979693 TCL: Center of mass = 27.5215360676 -0.644023672486 -3.00778710553 TCL: atom 1: phi = 0.235796168246 TCL: Center of mass = 27.5248673836 -0.643956106934 -3.00784903454 TCL: atom 1: phi = 0.236350515806 TCL: Center of mass = 27.5282136228 -0.643886782608 -3.00790245738 TCL: atom 1: phi = 0.236642179968 TCL: Center of mass = 27.5315737841 -0.643819348125 -3.00796046692 TCL: atom 1: phi = 0.237213293424 TCL: Center of mass = 27.5349380183 -0.643757271147 -3.00802580854 TCL: atom 1: phi = 0.237553014035 TCL: Center of mass = 27.5382995746 -0.643697836866 -3.00809190972 TCL: atom 1: phi = 0.238200847712 TCL: Center of mass = 27.541657799 -0.643646214672 -3.00816596269 TCL: atom 1: phi = 0.238545556327 TCL: Center of mass = 27.5450045173 -0.643602152781 -3.00823932879 TCL: atom 1: phi = 0.239048689717 TCL: Center of mass = 27.5483576509 -0.643554046783 -3.00831456936 TCL: atom 1: phi = 0.239171183679 TCL: Center of mass = 27.5517210955 -0.643502263112 -3.00839665966 TCL: atom 1: phi = 0.239345404151 TCL: Center of mass = 27.5550779863 -0.643443779797 -3.0084771134 TCL: atom 1: phi = 0.23908090612 TCL: Center of mass = 27.5584296893 -0.643382460018 -3.00855930665 TCL: atom 1: phi = 0.238832961028 TCL: Center of mass = 27.5617671951 -0.643311548647 -3.00864185252 TCL: atom 1: phi = 0.238206685651 TCL: Center of mass = 27.5651078001 -0.643238651534 -3.00873211475 TCL: atom 1: phi = 0.237777923812 TCL: Center of mass = 27.568440495 -0.643165135111 -3.00882394631 TCL: atom 1: phi = 0.237120033578 TCL: Center of mass = 27.5717715114 -0.643091022672 -3.00891838604 TCL: atom 1: phi = 0.236786762678 TCL: Center of mass = 27.5751057173 -0.643022142344 -3.009019968 TCL: atom 1: phi = 0.236283727836 TCL: Center of mass = 27.5784413286 -0.642957265993 -3.00912382838 TCL: atom 1: phi = 0.236161794097 TCL: Center of mass = 27.5817827318 -0.642873981778 -3.00921570641 TCL: atom 1: phi = 0.235908354225 TCL: Center of mass = 27.5851304332 -0.642799036865 -3.00929667854 TCL: atom 1: phi = 0.235997841447 TCL: Center of mass = 27.5884837897 -0.642694416994 -3.00937840549 TCL: atom 1: phi = 0.235953545683 TCL: Center of mass = 27.5918404885 -0.642579192103 -3.00945702631 TCL: atom 1: phi = 0.23622599323 TCL: Center of mass = 27.5952023301 -0.642458384999 -3.00954295578 TCL: atom 1: phi = 0.236367232744 TCL: Center of mass = 27.5985675158 -0.642326719613 -3.00963164509 TCL: atom 1: phi = 0.236797561824 TCL: Center of mass = 27.6019371701 -0.642188159096 -3.00971881883 TCL: atom 1: phi = 0.237215287622 TCL: Center of mass = 27.6053106936 -0.642058275195 -3.0098081395 TCL: atom 1: phi = 0.237961857178 TCL: Center of mass = 27.608675872 -0.641929778301 -3.00990020973 TCL: atom 1: phi = 0.23864218264 TCL: Center of mass = 27.6120388993 -0.641810495048 -3.00999614141 TCL: atom 1: phi = 0.239630895695 TCL: Center of mass = 27.6153833539 -0.641686986563 -3.01008899649 TCL: atom 1: phi = 0.240522650591 TCL: Center of mass = 27.6187185805 -0.64156763844 -3.01019034543 TCL: atom 1: phi = 0.241682036757 TCL: Center of mass = 27.6220609901 -0.641436026807 -3.01030577345 TCL: atom 1: phi = 0.242648290749 TCL: Center of mass = 27.625410642 -0.641304346461 -3.01041363505 TCL: atom 1: phi = 0.243753790479 TCL: Center of mass = 27.6287667156 -0.641174592356 -3.01053223941 TCL: atom 1: phi = 0.244587014974 TCL: Center of mass = 27.6321211621 -0.641044457611 -3.01064749178 TCL: atom 1: phi = 0.245608215916 TCL: Center of mass = 27.6354713268 -0.640920302846 -3.01075931986 TCL: atom 1: phi = 0.246429256557 TCL: Center of mass = 27.6388163939 -0.640807938571 -3.01087026591 TCL: atom 1: phi = 0.247565116554 TCL: Center of mass = 27.6421605002 -0.640685521073 -3.01098294507 TCL: atom 1: phi = 0.248647564529 TCL: Center of mass = 27.6455041069 -0.640559937142 -3.01109266574 TCL: atom 1: phi = 0.250044398276 TCL: Center of mass = 27.6488353184 -0.640441723276 -3.0112025007 TCL: atom 1: phi = 0.251261195011 TCL: Center of mass = 27.6521664778 -0.640320307685 -3.01130422897 TCL: atom 1: phi = 0.252794223697 TCL: Center of mass = 27.6554950738 -0.640186231681 -3.0114033708 TCL: atom 1: phi = 0.254026266297 TCL: Center of mass = 27.6588208626 -0.640062934501 -3.01150419957 TCL: atom 1: phi = 0.255377951249 TCL: Center of mass = 27.6621421581 -0.639944255639 -3.0116112533 TCL: atom 1: phi = 0.256315081044 TCL: Center of mass = 27.6654625207 -0.639818965745 -3.01171840404 TCL: atom 1: phi = 0.257329021683 TCL: Center of mass = 27.6687833626 -0.639684091379 -3.01182445257 TCL: atom 1: phi = 0.25787704251 TCL: Center of mass = 27.6721136086 -0.639556998217 -3.01192581066 TCL: atom 1: phi = 0.258682124143 TCL: Center of mass = 27.6754406654 -0.639426696026 -3.01204715872 TCL: atom 1: phi = 0.259087588936 TCL: Center of mass = 27.678771512 -0.639296531983 -3.01216256017 TCL: atom 1: phi = 0.259749921605 TCL: Center of mass = 27.6820927328 -0.639154501721 -3.01228657422 TCL: atom 1: phi = 0.260094731993 TCL: Center of mass = 27.6854035128 -0.639022149811 -3.01240784063 TCL: atom 1: phi = 0.260717353783 TCL: Center of mass = 27.6887108712 -0.638889035246 -3.01252479953 TCL: atom 1: phi = 0.260997680341 TCL: Center of mass = 27.6920189484 -0.638749669234 -3.0126322863 TCL: atom 1: phi = 0.261430500302 TCL: Center of mass = 27.6953375676 -0.638599928028 -3.01274202286 TCL: atom 1: phi = 0.261391909072 TCL: Center of mass = 27.6986518967 -0.638456406358 -3.01285852196 TCL: atom 1: phi = 0.261538667206 TCL: Center of mass = 27.7019613919 -0.638300615062 -3.01296999321 TCL: atom 1: phi = 0.261274824421 TCL: Center of mass = 27.7052654304 -0.638144249461 -3.01309246967 TCL: atom 1: phi = 0.261297524387 TCL: Center of mass = 27.7085660349 -0.637991731212 -3.01320344139 TCL: atom 1: phi = 0.261089473185 TCL: Center of mass = 27.7118679151 -0.637835172231 -3.01331228645 TCL: atom 1: phi = 0.261347422129 TCL: Center of mass = 27.7151655634 -0.637691709397 -3.01341649949 TCL: atom 1: phi = 0.261471594637 TCL: Center of mass = 27.7184702373 -0.637542158416 -3.01350969553 TCL: atom 1: phi = 0.262060285486 TCL: Center of mass = 27.7217753928 -0.637392800345 -3.01360285811 TCL: atom 1: phi = 0.262371243886 TCL: Center of mass = 27.7250746332 -0.637251845392 -3.0136835316 TCL: atom 1: phi = 0.263003969478 TCL: Center of mass = 27.7283576524 -0.637114012937 -3.01376305204 TCL: atom 1: phi = 0.263241645806 TCL: Center of mass = 27.7316375929 -0.636985172358 -3.01384391867 TCL: atom 1: phi = 0.26368466868 TIMING: 10000 CPU: 1710.93, 0.172494/step Wall: 2091.52, 0.21129/step, 0.586917 hours remaining, 21961 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 10000 419.3754 706.6294 422.8681 47.7127 -2787.0394 -226.6479 0.0000 0.0000 1124.3576 -292.7440 306.4189 -284.0329 -284.0857 315.0294 272.9396 311.5592 64000.0000 681.8167 680.4339 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10000 WRITING COORDINATES TO DCD FILE AT STEP 10000 WRITING COORDINATES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 27.7349171542 -0.636844521046 -3.01392074876 TCL: atom 1: phi = 0.263738454557 TCL: Center of mass = 27.7382046567 -0.636691610143 -3.01399663969 TCL: atom 1: phi = 0.264098947768 TCL: Center of mass = 27.7414942246 -0.636542717802 -3.01408436928 TCL: atom 1: phi = 0.264223245665 TCL: Center of mass = 27.7447880276 -0.636395839636 -3.01416798417 TCL: atom 1: phi = 0.264651975012 TCL: Center of mass = 27.7480874937 -0.636255354942 -3.01424098205 TCL: atom 1: phi = 0.264829031012 TCL: Center of mass = 27.751392923 -0.636108704321 -3.01429786797 TCL: atom 1: phi = 0.265405287424 TCL: Center of mass = 27.7546911827 -0.63595767321 -3.0143596641 TCL: atom 1: phi = 0.265717848719 TCL: Center of mass = 27.7579786235 -0.63581207142 -3.0144271686 TCL: atom 1: phi = 0.266271290741 TCL: Center of mass = 27.7612772262 -0.635674599317 -3.01448875541 TCL: atom 1: phi = 0.26646944768 TCL: Center of mass = 27.7645723449 -0.635548665181 -3.01456909262 TCL: atom 1: phi = 0.266865325002 TCL: Center of mass = 27.767874104 -0.635421443071 -3.01465648607 TCL: atom 1: phi = 0.266954533457 TCL: Center of mass = 27.7711655319 -0.635305357584 -3.01474496154 TCL: atom 1: phi = 0.267297137994 TCL: Center of mass = 27.774451078 -0.635190878345 -3.01483124691 TCL: atom 1: phi = 0.267380451871 TCL: Center of mass = 27.7777464617 -0.635073323671 -3.01492750619 TCL: atom 1: phi = 0.267787975171 TCL: Center of mass = 27.7810310978 -0.63495857724 -3.01502765336 TCL: atom 1: phi = 0.268088560293 TCL: Center of mass = 27.7843217242 -0.634844910545 -3.01512270836 TCL: atom 1: phi = 0.268759068679 TCL: Center of mass = 27.7876012808 -0.634725502664 -3.0152223806 TCL: atom 1: phi = 0.269204662006 TCL: Center of mass = 27.7908713979 -0.634617929253 -3.01531515068 TCL: atom 1: phi = 0.269873355704 TCL: Center of mass = 27.7941383838 -0.634524356509 -3.0154125208 TCL: atom 1: phi = 0.270218444655 TCL: Center of mass = 27.7974094613 -0.634436127491 -3.01551103422 TCL: atom 1: phi = 0.270632886267 TCL: Center of mass = 27.800685131 -0.634354219938 -3.01561385296 TCL: atom 1: phi = 0.270629763517 TCL: Center of mass = 27.803965427 -0.634256976707 -3.01571803084 TCL: atom 1: phi = 0.270649252635 TCL: Center of mass = 27.807251321 -0.634154658401 -3.01582013264 TCL: atom 1: phi = 0.270339148194 TCL: Center of mass = 27.81053927 -0.63405102964 -3.01592040779 TCL: atom 1: phi = 0.270163124135 TCL: Center of mass = 27.813828757 -0.633949442342 -3.01601725922 TCL: atom 1: phi = 0.269797581574 TCL: Center of mass = 27.8171239547 -0.633848368189 -3.01610533483 TCL: atom 1: phi = 0.269714614126 TCL: Center of mass = 27.8204372228 -0.633750271738 -3.01619683136 TCL: atom 1: phi = 0.26943545335 TCL: Center of mass = 27.8237500315 -0.633656406723 -3.01628065337 TCL: atom 1: phi = 0.269350101957 TCL: Center of mass = 27.8270517462 -0.63356548302 -3.01636740046 TCL: atom 1: phi = 0.269044699505 TCL: Center of mass = 27.8303391848 -0.63348254495 -3.01646356291 TCL: atom 1: phi = 0.268823371279 TCL: Center of mass = 27.8336241024 -0.63340390972 -3.01655991611 TCL: atom 1: phi = 0.268334912675 TCL: Center of mass = 27.8369038421 -0.633321841851 -3.0166366891 TCL: atom 1: phi = 0.268026548108 TCL: Center of mass = 27.8401900712 -0.633246546381 -3.01671921967 TCL: atom 1: phi = 0.267632608401 TCL: Center of mass = 27.8434739312 -0.633168078314 -3.01681088338 TCL: atom 1: phi = 0.267493746144 TCL: Center of mass = 27.8467647491 -0.633096868229 -3.01691381561 TCL: atom 1: phi = 0.267437338798 TCL: Center of mass = 27.850056462 -0.633022186451 -3.01701269945 TCL: atom 1: phi = 0.267729462179 TCL: Center of mass = 27.8533443999 -0.632949829 -3.01711044263 TCL: atom 1: phi = 0.268021454124 TCL: Center of mass = 27.856630653 -0.632880581749 -3.01720396655 TCL: atom 1: phi = 0.268568165557 TCL: Center of mass = 27.8599260134 -0.632816199976 -3.0173034206 TCL: atom 1: phi = 0.268981266232 TCL: Center of mass = 27.8632330335 -0.63275379676 -3.01741645795 TCL: atom 1: phi = 0.269525867467 TCL: Center of mass = 27.8665287291 -0.632686531563 -3.0175295706 TCL: atom 1: phi = 0.269792916394 TCL: Center of mass = 27.869823207 -0.632613413488 -3.01763943657 TCL: atom 1: phi = 0.270159935379 TCL: Center of mass = 27.8731182779 -0.632540341867 -3.01774633162 TCL: atom 1: phi = 0.270300163791 TCL: Center of mass = 27.8764038544 -0.632468538541 -3.01783888929 TCL: atom 1: phi = 0.270588455199 TCL: Center of mass = 27.8796864993 -0.632403972236 -3.01793213039 TCL: atom 1: phi = 0.270679426773 TCL: Center of mass = 27.8829726682 -0.632339681061 -3.01802874134 TCL: atom 1: phi = 0.270993070075 TCL: Center of mass = 27.8862580912 -0.632275490274 -3.0181237994 TCL: atom 1: phi = 0.271189489412 TCL: Center of mass = 27.8895349669 -0.632214268364 -3.01820584061 TCL: atom 1: phi = 0.271571011078 TCL: Center of mass = 27.892806376 -0.632158882765 -3.01827684529 TCL: atom 1: phi = 0.271764392231 TCL: Center of mass = 27.8960731508 -0.632103653196 -3.01835736848 TCL: atom 1: phi = 0.272045473055 TCL: Center of mass = 27.8993480035 -0.632044469707 -3.01843911623 TCL: atom 1: phi = 0.272040720028 TCL: Center of mass = 27.902627444 -0.631988112375 -3.01852272918 TCL: atom 1: phi = 0.272085696729 TCL: Center of mass = 27.9059081242 -0.631924447477 -3.01861721825 TCL: atom 1: phi = 0.271833615601 TCL: Center of mass = 27.909198762 -0.631867630412 -3.01870766809 TCL: atom 1: phi = 0.271727265591 TCL: Center of mass = 27.9124748149 -0.631800397354 -3.01880368578 TCL: atom 1: phi = 0.271558281892 TCL: Center of mass = 27.915740835 -0.631739943154 -3.01889681998 TCL: atom 1: phi = 0.271673901224 TCL: Center of mass = 27.9190083393 -0.631682965331 -3.0189919013 TCL: atom 1: phi = 0.271742717283 TCL: Center of mass = 27.9222717587 -0.631619927466 -3.01908474108 TCL: atom 1: phi = 0.272061547362 TCL: Center of mass = 27.9255267554 -0.631554479871 -3.01918301228 TCL: atom 1: phi = 0.272214635233 TCL: Center of mass = 27.9287699287 -0.631501210701 -3.01927688751 TCL: atom 1: phi = 0.272453378969 TCL: Center of mass = 27.9320037711 -0.631445370725 -3.01937750422 TCL: atom 1: phi = 0.272353967519 TCL: Center of mass = 27.9352334396 -0.631391227791 -3.01949331409 TCL: atom 1: phi = 0.272310030975 TCL: Center of mass = 27.9384578514 -0.63134421894 -3.01960957872 TCL: atom 1: phi = 0.271917578278 TCL: Center of mass = 27.9416900036 -0.631281804315 -3.01972672896 TCL: atom 1: phi = 0.271574222059 TCL: Center of mass = 27.9449272985 -0.631222228218 -3.01984043987 TCL: atom 1: phi = 0.271027638281 TCL: Center of mass = 27.9481637046 -0.631147292591 -3.0199552304 TCL: atom 1: phi = 0.270680199148 TCL: Center of mass = 27.9514064405 -0.631068172456 -3.02006698605 TCL: atom 1: phi = 0.27029456945 TCL: Center of mass = 27.954653813 -0.631003857261 -3.02018109297 TCL: atom 1: phi = 0.270139090369 TCL: Center of mass = 27.9579009784 -0.630941050374 -3.02027711941 TCL: atom 1: phi = 0.269894939073 TCL: Center of mass = 27.9611607757 -0.630869991532 -3.02036897502 TCL: atom 1: phi = 0.26979391601 TCL: Center of mass = 27.9644031993 -0.630793596999 -3.02045727613 TCL: atom 1: phi = 0.269456716269 TCL: Center of mass = 27.967638124 -0.630721414442 -3.02055038139 TCL: atom 1: phi = 0.269229282155 TCL: Center of mass = 27.9708565518 -0.63064340995 -3.02064479403 TCL: atom 1: phi = 0.268806459709 TCL: Center of mass = 27.9740672146 -0.630572644626 -3.02074576811 TCL: atom 1: phi = 0.268576552094 TCL: Center of mass = 27.9772860231 -0.630497958735 -3.02084436359 TCL: atom 1: phi = 0.268313574548 TCL: Center of mass = 27.9804957495 -0.630420631541 -3.02095292947 TCL: atom 1: phi = 0.268453294125 TCL: Center of mass = 27.9837167847 -0.630342081897 -3.02106705945 TCL: atom 1: phi = 0.268664826122 TCL: Center of mass = 27.9869310815 -0.630267911015 -3.02118685703 TCL: atom 1: phi = 0.269257046647 TCL: Center of mass = 27.9901468625 -0.630187309925 -3.02130754609 TCL: atom 1: phi = 0.269802789578 TCL: Center of mass = 27.9933590422 -0.630104094452 -3.02144168114 TCL: atom 1: phi = 0.270600762055 TCL: Center of mass = 27.9965709197 -0.630024360684 -3.02158009286 TCL: atom 1: phi = 0.271140408303 TCL: Center of mass = 27.9997952604 -0.629950111466 -3.02171389319 TCL: atom 1: phi = 0.271812481085 TCL: Center of mass = 28.0030109233 -0.629872317489 -3.02184027271 TCL: atom 1: phi = 0.27216951488 TCL: Center of mass = 28.0062316127 -0.629785962177 -3.02196701689 TCL: atom 1: phi = 0.272657970554 TCL: Center of mass = 28.0094458342 -0.629694507338 -3.02208686745 TCL: atom 1: phi = 0.272944148473 TCL: Center of mass = 28.0126618695 -0.629605368674 -3.02220617754 TCL: atom 1: phi = 0.273467262188 TCL: Center of mass = 28.0158688226 -0.629516859492 -3.02232564088 TCL: atom 1: phi = 0.273860997056 TCL: Center of mass = 28.0190829202 -0.629437002746 -3.02245136175 TCL: atom 1: phi = 0.274564670931 TCL: Center of mass = 28.0222865846 -0.629349591563 -3.02258509744 TCL: atom 1: phi = 0.27505249534 TCL: Center of mass = 28.0254963342 -0.629268320708 -3.02270936666 TCL: atom 1: phi = 0.275776706313 TCL: Center of mass = 28.0286979883 -0.629189154894 -3.02282111409 TCL: atom 1: phi = 0.27622711138 TCL: Center of mass = 28.0318960143 -0.629111265162 -3.02293221219 TCL: atom 1: phi = 0.276903915979 TCL: Center of mass = 28.0350947856 -0.629029336093 -3.02304298194 TCL: atom 1: phi = 0.277231457623 TCL: Center of mass = 28.0383016872 -0.628947919162 -3.02315174033 TCL: atom 1: phi = 0.277815310424 TCL: Center of mass = 28.0415105414 -0.628879294205 -3.02325717106 TCL: atom 1: phi = 0.278056584957 TCL: Center of mass = 28.0447140259 -0.62881095953 -3.02336470621 TCL: atom 1: phi = 0.278626900941 TCL: Center of mass = 28.0479140708 -0.628746706919 -3.02348516912 TCL: atom 1: phi = 0.278909882374 TCL: Center of mass = 28.0511032182 -0.628688749759 -3.02359626056 TCL: atom 1: phi = 0.279536538948 TCL: Center of mass = 28.054287507 -0.62863089113 -3.02370652897 TCL: atom 1: phi = 0.279880163364 TCL: Center of mass = 28.0574709677 -0.628577530032 -3.02380847262 TCL: atom 1: phi = 0.280446721386 TIMING: 10100 CPU: 1728.19, 0.172604/step Wall: 2112.66, 0.211408/step, 0.581373 hours remaining, 21975 kB of memory in use. ENERGY: 10100 386.6109 690.9238 422.2500 38.8321 -2792.4074 -196.6001 0.0000 0.0000 1147.4348 -302.9559 312.7081 -293.8304 -295.6764 312.5727 656.8174 831.6629 64000.0000 515.3883 515.3164 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10100 WRITING COORDINATES TO DCD FILE AT STEP 10100 WRITING COORDINATES TO RESTART FILE AT STEP 10100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 28.0606448735 -0.628532086778 -3.02391386518 TCL: atom 1: phi = 0.280542270461 TCL: Center of mass = 28.0638193691 -0.628490259128 -3.02402358118 TCL: atom 1: phi = 0.280786178293 TCL: Center of mass = 28.0669923994 -0.628450857447 -3.0241224586 TCL: atom 1: phi = 0.280482892806 TCL: Center of mass = 28.0701773159 -0.628401865142 -3.02421733797 TCL: atom 1: phi = 0.280340673943 TCL: Center of mass = 28.0733680041 -0.628361681058 -3.02431892862 TCL: atom 1: phi = 0.279714293085 TCL: Center of mass = 28.0765561006 -0.628314362387 -3.02441813644 TCL: atom 1: phi = 0.279396822926 TCL: Center of mass = 28.0797392933 -0.628249015214 -3.02451538549 TCL: atom 1: phi = 0.27877227668 TCL: Center of mass = 28.0829266973 -0.628199721467 -3.02460320926 TCL: atom 1: phi = 0.278539121097 TCL: Center of mass = 28.0861201944 -0.628149284704 -3.0246888469 TCL: atom 1: phi = 0.278025238595 TCL: Center of mass = 28.0893029493 -0.628078933341 -3.02477650263 TCL: atom 1: phi = 0.277884007812 TCL: Center of mass = 28.092481602 -0.628002520548 -3.02487037175 TCL: atom 1: phi = 0.277426754016 TCL: Center of mass = 28.0956754486 -0.627931252495 -3.02496014516 TCL: atom 1: phi = 0.277276093752 TCL: Center of mass = 28.0988597847 -0.627863183691 -3.02504389628 TCL: atom 1: phi = 0.276686734712 TCL: Center of mass = 28.1020459967 -0.627775968456 -3.02512599277 TCL: atom 1: phi = 0.276342020346 TCL: Center of mass = 28.1052289709 -0.627687787999 -3.0251979769 TCL: atom 1: phi = 0.275657231773 TCL: Center of mass = 28.1084254633 -0.62760408124 -3.02526984826 TCL: atom 1: phi = 0.275339258958 TCL: Center of mass = 28.1116290478 -0.627513113198 -3.0253523485 TCL: atom 1: phi = 0.274806653933 TCL: Center of mass = 28.1148323099 -0.627414607046 -3.02541982644 TCL: atom 1: phi = 0.274613357165 TCL: Center of mass = 28.1180393163 -0.627318831943 -3.02548971745 TCL: atom 1: phi = 0.274190031855 TCL: Center of mass = 28.1212485824 -0.627225775277 -3.02554731401 TCL: atom 1: phi = 0.273995421584 TCL: Center of mass = 28.1244657137 -0.627129265849 -3.02560301881 TCL: atom 1: phi = 0.27337273507 TCL: Center of mass = 28.1276738524 -0.627041411056 -3.02565132533 TCL: atom 1: phi = 0.272781615135 TCL: Center of mass = 28.1308838361 -0.626958603032 -3.02571701363 TCL: atom 1: phi = 0.271643761679 TCL: Center of mass = 28.1340900855 -0.626877373372 -3.02577043461 TCL: atom 1: phi = 0.270526754766 TCL: Center of mass = 28.1373003428 -0.626805681234 -3.02581875588 TCL: atom 1: phi = 0.26900183036 TCL: Center of mass = 28.1405010224 -0.626734740628 -3.02586980716 TCL: atom 1: phi = 0.267636117318 TCL: Center of mass = 28.1437041061 -0.626663102443 -3.02592152487 TCL: atom 1: phi = 0.266046490983 TCL: Center of mass = 28.1469135778 -0.626594606649 -3.02597271033 TCL: atom 1: phi = 0.264794216387 TCL: Center of mass = 28.1501171952 -0.626528219098 -3.0260222241 TCL: atom 1: phi = 0.263466791955 TCL: Center of mass = 28.1533163543 -0.626476107824 -3.02607968928 TCL: atom 1: phi = 0.262475186486 TCL: Center of mass = 28.1565150666 -0.626423320789 -3.02613056161 TCL: atom 1: phi = 0.261381761079 TCL: Center of mass = 28.1597197259 -0.62637623822 -3.0261753499 TCL: atom 1: phi = 0.260601876795 TCL: Center of mass = 28.1629252134 -0.626340567349 -3.026219843 TCL: atom 1: phi = 0.25965565241 TCL: Center of mass = 28.1661353258 -0.626304555916 -3.02625908742 TCL: atom 1: phi = 0.258943139251 TCL: Center of mass = 28.1693367275 -0.626258864294 -3.02629881352 TCL: atom 1: phi = 0.25813613186 TCL: Center of mass = 28.1725396353 -0.626217764954 -3.02633347866 TCL: atom 1: phi = 0.257653161029 TCL: Center of mass = 28.1757310138 -0.626165486318 -3.02636002694 TCL: atom 1: phi = 0.257200086467 TCL: Center of mass = 28.1789318008 -0.626119712669 -3.02637924034 TCL: atom 1: phi = 0.257131936939 TCL: Center of mass = 28.1821326084 -0.626075456429 -3.02641803123 TCL: atom 1: phi = 0.257098758079 TCL: Center of mass = 28.1853223099 -0.626036196315 -3.02646316422 TCL: atom 1: phi = 0.257408118139 TCL: Center of mass = 28.1885026481 -0.626007122054 -3.02650304094 TCL: atom 1: phi = 0.257602997033 TCL: Center of mass = 28.1916806508 -0.625965375772 -3.02654825867 TCL: atom 1: phi = 0.257952035804 TCL: Center of mass = 28.194875208 -0.62591540307 -3.02660162747 TCL: atom 1: phi = 0.258046966622 TCL: Center of mass = 28.1980764847 -0.625864968851 -3.02664948059 TCL: atom 1: phi = 0.258202146927 TCL: Center of mass = 28.2012819928 -0.625820957509 -3.02668923171 TCL: atom 1: phi = 0.258055659412 TCL: Center of mass = 28.2044803037 -0.625789072347 -3.02673844119 TCL: atom 1: phi = 0.258139373588 TCL: Center of mass = 28.207676597 -0.625756062162 -3.02679090911 TCL: atom 1: phi = 0.258116166418 TCL: Center of mass = 28.2108765399 -0.625721708336 -3.02683547126 TCL: atom 1: phi = 0.258512341526 TCL: Center of mass = 28.2140783939 -0.625675259257 -3.02688358672 TCL: atom 1: phi = 0.258876601567 TCL: Center of mass = 28.2172913627 -0.625628967852 -3.02692251476 TCL: atom 1: phi = 0.259703879582 TCL: Center of mass = 28.2204916089 -0.625598773602 -3.02696552099 TCL: atom 1: phi = 0.260408674712 TCL: Center of mass = 28.2236925161 -0.625575049485 -3.02701096398 TCL: atom 1: phi = 0.261439584855 TCL: Center of mass = 28.2268944948 -0.625555328785 -3.02705486999 TCL: atom 1: phi = 0.262219927211 TCL: Center of mass = 28.2300926967 -0.62553120515 -3.02709587047 TCL: atom 1: phi = 0.263280289525 TCL: Center of mass = 28.2332949288 -0.625517193257 -3.02714453906 TCL: atom 1: phi = 0.263962564359 TCL: Center of mass = 28.2364947144 -0.625497048468 -3.02720214496 TCL: atom 1: phi = 0.264946668558 TCL: Center of mass = 28.2396987239 -0.625464504259 -3.02726875346 TCL: atom 1: phi = 0.265593104898 TCL: Center of mass = 28.2429052257 -0.625432327448 -3.02733897394 TCL: atom 1: phi = 0.266561448489 TCL: Center of mass = 28.2461094347 -0.625405753104 -3.02741645497 TCL: atom 1: phi = 0.267043597622 TCL: Center of mass = 28.2493126307 -0.625386599256 -3.02749606193 TCL: atom 1: phi = 0.267911746145 TCL: Center of mass = 28.2525236544 -0.625378788812 -3.02758441095 TCL: atom 1: phi = 0.268169473234 TCL: Center of mass = 28.2557365006 -0.625369101724 -3.02766964712 TCL: atom 1: phi = 0.26866782048 TCL: Center of mass = 28.2589601232 -0.62534999604 -3.02776457417 TCL: atom 1: phi = 0.268511800681 TCL: Center of mass = 28.2621762939 -0.625332225981 -3.02786139711 TCL: atom 1: phi = 0.268470191454 TCL: Center of mass = 28.2653997681 -0.625317203942 -3.0279624951 TCL: atom 1: phi = 0.26777496508 TCL: Center of mass = 28.2686174484 -0.625300607675 -3.02805789026 TCL: atom 1: phi = 0.267318968488 TCL: Center of mass = 28.2718305493 -0.625276797053 -3.02814779024 TCL: atom 1: phi = 0.266489392738 TCL: Center of mass = 28.2750431375 -0.625255714029 -3.0282394701 TCL: atom 1: phi = 0.266065009778 TCL: Center of mass = 28.278267357 -0.625236139352 -3.02833441637 TCL: atom 1: phi = 0.265491350511 TCL: Center of mass = 28.2814875589 -0.62521386943 -3.02842693961 TCL: atom 1: phi = 0.265436263137 TCL: Center of mass = 28.2847131579 -0.625187164668 -3.0285226441 TCL: atom 1: phi = 0.265220934672 TCL: Center of mass = 28.28793835 -0.625163602418 -3.02861830172 TCL: atom 1: phi = 0.265431214592 TCL: Center of mass = 28.2911539711 -0.625138380595 -3.02871440525 TCL: atom 1: phi = 0.265359698795 TCL: Center of mass = 28.2943665353 -0.625107612829 -3.02881499322 TCL: atom 1: phi = 0.265652367244 TCL: Center of mass = 28.2975949517 -0.625081194237 -3.0289040246 TCL: atom 1: phi = 0.265673530696 TCL: Center of mass = 28.3008242536 -0.625067881386 -3.02898480857 TCL: atom 1: phi = 0.26608439268 TCL: Center of mass = 28.3040528416 -0.625047159087 -3.029069491 TCL: atom 1: phi = 0.26630758649 TCL: Center of mass = 28.307274701 -0.625028824621 -3.02915072017 TCL: atom 1: phi = 0.266885200745 TCL: Center of mass = 28.3104989355 -0.625020957106 -3.02923186586 TCL: atom 1: phi = 0.267299125651 TCL: Center of mass = 28.313722747 -0.62501911606 -3.02931738033 TCL: atom 1: phi = 0.268021092512 TCL: Center of mass = 28.3169521837 -0.625016786709 -3.02939983749 TCL: atom 1: phi = 0.268342711835 TCL: Center of mass = 28.3201831648 -0.625020813396 -3.0294818293 TCL: atom 1: phi = 0.26883688314 TCL: Center of mass = 28.3234266374 -0.625023031221 -3.02956646719 TCL: atom 1: phi = 0.268853595214 TCL: Center of mass = 28.3266668521 -0.62501795154 -3.0296615406 TCL: atom 1: phi = 0.26889322399 TCL: Center of mass = 28.3299074076 -0.624996904908 -3.02977361465 TCL: atom 1: phi = 0.268355657248 TCL: Center of mass = 28.3331481308 -0.624962975658 -3.02989123442 TCL: atom 1: phi = 0.267961453833 TCL: Center of mass = 28.3363895254 -0.624928853804 -3.02999073646 TCL: atom 1: phi = 0.267152285548 TCL: Center of mass = 28.3396178315 -0.624890150642 -3.03008583065 TCL: atom 1: phi = 0.266626063917 TCL: Center of mass = 28.3428437126 -0.62486047368 -3.03018523215 TCL: atom 1: phi = 0.265860115606 TCL: Center of mass = 28.3460852508 -0.624825535429 -3.03028338381 TCL: atom 1: phi = 0.265535025401 TCL: Center of mass = 28.3493328173 -0.624791669638 -3.03038608411 TCL: atom 1: phi = 0.265049516909 TCL: Center of mass = 28.3525853009 -0.624762233758 -3.03049670444 TCL: atom 1: phi = 0.264990061614 TCL: Center of mass = 28.3558293898 -0.624744876295 -3.03061047255 TCL: atom 1: phi = 0.264697260817 TCL: Center of mass = 28.3590811061 -0.624736228586 -3.030720342 TCL: atom 1: phi = 0.264751769816 TCL: Center of mass = 28.3623354333 -0.624734027329 -3.03083922873 TCL: atom 1: phi = 0.264525056848 TCL: Center of mass = 28.3655911123 -0.624734548712 -3.0309563212 TCL: atom 1: phi = 0.264566605187 TCL: Center of mass = 28.3688550869 -0.624743647128 -3.03107527691 TCL: atom 1: phi = 0.264336595314 TCL: Center of mass = 28.3721160653 -0.624744922016 -3.03119369368 TCL: atom 1: phi = 0.26440951228 TCL: Center of mass = 28.3753582418 -0.624757509417 -3.03131622511 TCL: atom 1: phi = 0.264296259675 TCL: Center of mass = 28.3785820686 -0.624771608921 -3.03144400446 TCL: atom 1: phi = 0.264467135017 TIMING: 10200 CPU: 1745.45, 0.172544/step Wall: 2133.8, 0.211369/step, 0.575392 hours remaining, 21981 kB of memory in use. ENERGY: 10200 386.7723 712.8155 432.4053 40.1697 -2793.4936 -211.1791 0.0000 0.0000 1122.5132 -309.9966 305.9162 -301.3645 -301.4390 313.1425 499.7289 571.0557 64000.0000 624.5257 624.1279 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10200 WRITING COORDINATES TO DCD FILE AT STEP 10200 WRITING COORDINATES TO RESTART FILE AT STEP 10200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 28.3817966575 -0.624797742867 -3.03155928657 TCL: atom 1: phi = 0.264396950664 TCL: Center of mass = 28.3850167299 -0.624804807446 -3.03167365095 TCL: atom 1: phi = 0.264609496092 TCL: Center of mass = 28.3882371349 -0.624815193933 -3.03179184757 TCL: atom 1: phi = 0.264424449167 TCL: Center of mass = 28.391449798 -0.62482733455 -3.03191082162 TCL: atom 1: phi = 0.264408842216 TCL: Center of mass = 28.3946560949 -0.624838808229 -3.03202203028 TCL: atom 1: phi = 0.264053642612 TCL: Center of mass = 28.3978593552 -0.624841394171 -3.03213106738 TCL: atom 1: phi = 0.263902741338 TCL: Center of mass = 28.4010529126 -0.624831346603 -3.03224118772 TCL: atom 1: phi = 0.263537318919 TCL: Center of mass = 28.4042373534 -0.624813999707 -3.03234656261 TCL: atom 1: phi = 0.263467366105 TCL: Center of mass = 28.4074398175 -0.624797476649 -3.03244790383 TCL: atom 1: phi = 0.263329338854 TCL: Center of mass = 28.4106595853 -0.624794236282 -3.03254260822 TCL: atom 1: phi = 0.263679711526 TCL: Center of mass = 28.4138785054 -0.624786563889 -3.03263203177 TCL: atom 1: phi = 0.26399667249 TCL: Center of mass = 28.4170949068 -0.62477432124 -3.03272532019 TCL: atom 1: phi = 0.264683387474 TCL: Center of mass = 28.4203028514 -0.624755374935 -3.03280933231 TCL: atom 1: phi = 0.265155330893 TCL: Center of mass = 28.4235104381 -0.6247403111 -3.03289151146 TCL: atom 1: phi = 0.265852491401 TCL: Center of mass = 28.4267040585 -0.624732230362 -3.03297534194 TCL: atom 1: phi = 0.266329740515 TCL: Center of mass = 28.4298906968 -0.624722073607 -3.03306721703 TCL: atom 1: phi = 0.266977102558 TCL: Center of mass = 28.433070346 -0.624696308594 -3.03315268376 TCL: atom 1: phi = 0.267415304126 TCL: Center of mass = 28.4362444707 -0.624665148468 -3.0332337926 TCL: atom 1: phi = 0.268017988888 TCL: Center of mass = 28.4394232186 -0.62463958345 -3.03331972192 TCL: atom 1: phi = 0.268424513292 TCL: Center of mass = 28.4425994968 -0.624625705849 -3.03340764687 TCL: atom 1: phi = 0.268947083008 TCL: Center of mass = 28.4457794913 -0.624613814057 -3.03349868293 TCL: atom 1: phi = 0.269179020402 TCL: Center of mass = 28.4489552627 -0.624615621114 -3.0335851772 TCL: atom 1: phi = 0.269450568051 TCL: Center of mass = 28.4521284215 -0.624627124518 -3.03367925811 TCL: atom 1: phi = 0.269315649655 TCL: Center of mass = 28.4553023989 -0.624651142677 -3.03378235648 TCL: atom 1: phi = 0.269110559848 TCL: Center of mass = 28.4584740418 -0.624682473942 -3.03388888108 TCL: atom 1: phi = 0.268543401252 TCL: Center of mass = 28.4616485049 -0.624709070417 -3.03398439215 TCL: atom 1: phi = 0.267982105902 TCL: Center of mass = 28.4648209838 -0.624732986811 -3.03407411206 TCL: atom 1: phi = 0.26720895154 TCL: Center of mass = 28.4679838319 -0.624748378854 -3.0341650083 TCL: atom 1: phi = 0.266614438769 TCL: Center of mass = 28.4711424001 -0.624767815667 -3.03425836285 TCL: atom 1: phi = 0.265912156885 TCL: Center of mass = 28.4743076187 -0.624784208688 -3.03434772463 TCL: atom 1: phi = 0.265551237163 TCL: Center of mass = 28.4774681612 -0.624812389481 -3.03443601024 TCL: atom 1: phi = 0.265171380561 TCL: Center of mass = 28.480628423 -0.624835194207 -3.03453231372 TCL: atom 1: phi = 0.265054011411 TCL: Center of mass = 28.4837848076 -0.62485630505 -3.03464030493 TCL: atom 1: phi = 0.264840661964 TCL: Center of mass = 28.4869477301 -0.624868591267 -3.03474646971 TCL: atom 1: phi = 0.264817752214 TCL: Center of mass = 28.4901151197 -0.624872111013 -3.03485580869 TCL: atom 1: phi = 0.264631540288 TCL: Center of mass = 28.4932785652 -0.624880038792 -3.03496234171 TCL: atom 1: phi = 0.264625798531 TCL: Center of mass = 28.4964377014 -0.62489984376 -3.03508107017 TCL: atom 1: phi = 0.264511630179 TCL: Center of mass = 28.4996008293 -0.624921961796 -3.03520345698 TCL: atom 1: phi = 0.264679996767 TCL: Center of mass = 28.5027607794 -0.624947764416 -3.03533018932 TCL: atom 1: phi = 0.264801068808 TCL: Center of mass = 28.5059274067 -0.624978596727 -3.03544167066 TCL: atom 1: phi = 0.265222909856 TCL: Center of mass = 28.5090894959 -0.625014333252 -3.0355645736 TCL: atom 1: phi = 0.265543976585 TCL: Center of mass = 28.5122572348 -0.625042414346 -3.03569616454 TCL: atom 1: phi = 0.266017175762 TCL: Center of mass = 28.5154313652 -0.625068519467 -3.03581349306 TCL: atom 1: phi = 0.266197060259 TCL: Center of mass = 28.5186021484 -0.625083819413 -3.03595305514 TCL: atom 1: phi = 0.26637134075 TCL: Center of mass = 28.521765586 -0.625105001113 -3.03609306919 TCL: atom 1: phi = 0.266170722984 TCL: Center of mass = 28.5249243059 -0.625126979683 -3.03623931445 TCL: atom 1: phi = 0.266002913125 TCL: Center of mass = 28.5280807364 -0.625143016843 -3.03638596436 TCL: atom 1: phi = 0.265575109713 TCL: Center of mass = 28.5312434112 -0.625167780377 -3.0365335437 TCL: atom 1: phi = 0.265324150973 TCL: Center of mass = 28.5343928858 -0.62519728839 -3.03668706428 TCL: atom 1: phi = 0.264930854071 TCL: Center of mass = 28.5375528462 -0.625237607753 -3.03684324801 TCL: atom 1: phi = 0.264822830644 TCL: Center of mass = 28.5407158674 -0.625274053298 -3.03700240361 TCL: atom 1: phi = 0.264616214116 TCL: Center of mass = 28.5438787746 -0.625303501571 -3.03716386605 TCL: atom 1: phi = 0.264670042015 TCL: Center of mass = 28.5470288079 -0.625334755599 -3.03732173313 TCL: atom 1: phi = 0.264607438837 TCL: Center of mass = 28.5501730046 -0.625374273748 -3.03749395346 TCL: atom 1: phi = 0.26470746866 TCL: Center of mass = 28.553304094 -0.625410487107 -3.03766556504 TCL: atom 1: phi = 0.264580707191 TCL: Center of mass = 28.5564482868 -0.625455132553 -3.03783114214 TCL: atom 1: phi = 0.264551477132 TCL: Center of mass = 28.5595909935 -0.625483074033 -3.03799269561 TCL: atom 1: phi = 0.264352574548 TCL: Center of mass = 28.5627299955 -0.625524755328 -3.03816130729 TCL: atom 1: phi = 0.264330455422 TCL: Center of mass = 28.5658702323 -0.625567275363 -3.03833219925 TCL: atom 1: phi = 0.264152162989 TCL: Center of mass = 28.5690216806 -0.625610823367 -3.03848835699 TCL: atom 1: phi = 0.264182193461 TCL: Center of mass = 28.5721677622 -0.625649404188 -3.03865469981 TCL: atom 1: phi = 0.264039833254 TCL: Center of mass = 28.5753020365 -0.625681011319 -3.03882498633 TCL: atom 1: phi = 0.264086680679 TCL: Center of mass = 28.5784320919 -0.625705462722 -3.03898410802 TCL: atom 1: phi = 0.263887816576 TCL: Center of mass = 28.5815566099 -0.625750379301 -3.03913261046 TCL: atom 1: phi = 0.263841393763 TCL: Center of mass = 28.5846678393 -0.625796365841 -3.03928475203 TCL: atom 1: phi = 0.263603544305 TCL: Center of mass = 28.587768722 -0.625851803454 -3.03944434839 TCL: atom 1: phi = 0.263604458825 TCL: Center of mass = 28.5908626767 -0.625892907042 -3.03960796846 TCL: atom 1: phi = 0.263524782001 TCL: Center of mass = 28.5939643309 -0.625935722383 -3.03976366688 TCL: atom 1: phi = 0.263766704156 TCL: Center of mass = 28.5970661401 -0.625983910138 -3.0399046477 TCL: atom 1: phi = 0.263993139405 TCL: Center of mass = 28.600167884 -0.626029487037 -3.04003515787 TCL: atom 1: phi = 0.264611777376 TCL: Center of mass = 28.6032664753 -0.626072769474 -3.04017297729 TCL: atom 1: phi = 0.265264659878 TCL: Center of mass = 28.6063775979 -0.626121228617 -3.04030904676 TCL: atom 1: phi = 0.266222406856 TCL: Center of mass = 28.6094982006 -0.626171210424 -3.04044893306 TCL: atom 1: phi = 0.267017862535 TCL: Center of mass = 28.6126240263 -0.62622108424 -3.04058439552 TCL: atom 1: phi = 0.268047323117 TCL: Center of mass = 28.615753704 -0.62626050215 -3.04071038882 TCL: atom 1: phi = 0.268819076048 TCL: Center of mass = 28.6188846126 -0.626296653397 -3.04084623326 TCL: atom 1: phi = 0.269766274083 TCL: Center of mass = 28.6220109381 -0.626333288179 -3.04098822673 TCL: atom 1: phi = 0.270321319168 TCL: Center of mass = 28.6251381786 -0.62637352834 -3.04112895148 TCL: atom 1: phi = 0.271071107112 TCL: Center of mass = 28.628268556 -0.626411326022 -3.04126870388 TCL: atom 1: phi = 0.271470282255 TCL: Center of mass = 28.6314046788 -0.626450898308 -3.04141990704 TCL: atom 1: phi = 0.272042588196 TCL: Center of mass = 28.6345336129 -0.626496130665 -3.04157969125 TCL: atom 1: phi = 0.272220775701 TCL: Center of mass = 28.6376677451 -0.626534633297 -3.04173958117 TCL: atom 1: phi = 0.272569215157 TCL: Center of mass = 28.6408063878 -0.626572060086 -3.04190634026 TCL: atom 1: phi = 0.27240644953 TCL: Center of mass = 28.6439549213 -0.626609549852 -3.0420736266 TCL: atom 1: phi = 0.272441702369 TCL: Center of mass = 28.6471091263 -0.626653049515 -3.04224795358 TCL: atom 1: phi = 0.271982055249 TCL: Center of mass = 28.650278429 -0.626704852781 -3.04242233546 TCL: atom 1: phi = 0.271741409654 TCL: Center of mass = 28.653463446 -0.626769686951 -3.04260391596 TCL: atom 1: phi = 0.271083811427 TCL: Center of mass = 28.6566534376 -0.626822948642 -3.04278653197 TCL: atom 1: phi = 0.270734492433 TCL: Center of mass = 28.659848439 -0.626870583471 -3.04296392624 TCL: atom 1: phi = 0.270072148003 TCL: Center of mass = 28.6630465581 -0.626921790816 -3.04314940239 TCL: atom 1: phi = 0.269773279836 TCL: Center of mass = 28.6662356816 -0.626983016769 -3.0433440084 TCL: atom 1: phi = 0.269171215106 TCL: Center of mass = 28.6694398426 -0.627045579093 -3.04351998277 TCL: atom 1: phi = 0.268915039728 TCL: Center of mass = 28.6726393849 -0.627110521597 -3.04369476982 TCL: atom 1: phi = 0.268298949165 TCL: Center of mass = 28.6758440918 -0.627186735024 -3.04386197035 TCL: atom 1: phi = 0.268017893216 TCL: Center of mass = 28.6790519026 -0.627264145716 -3.04404043633 TCL: atom 1: phi = 0.267296964148 TCL: Center of mass = 28.6822523029 -0.627331541454 -3.04421508591 TCL: atom 1: phi = 0.266832091765 TCL: Center of mass = 28.6854495549 -0.627393843763 -3.04439002977 TCL: atom 1: phi = 0.265952440683 TCL: Center of mass = 28.6886457673 -0.627456960693 -3.04455400859 TCL: atom 1: phi = 0.265346776552 TCL: Center of mass = 28.6918505974 -0.6275169598 -3.04470642059 TCL: atom 1: phi = 0.264482329186 TCL: Center of mass = 28.6950673326 -0.627566714627 -3.04485528967 TCL: atom 1: phi = 0.263997787012 TIMING: 10300 CPU: 1762.66, 0.172174/step Wall: 2154.89, 0.210873/step, 0.568186 hours remaining, 21987 kB of memory in use. ENERGY: 10300 383.4784 690.7481 412.7247 32.6771 -2771.9190 -211.9055 0.0000 0.0000 1174.0212 -290.1751 319.9536 -282.1078 -279.8201 310.8379 431.9387 563.4199 64000.0000 856.6736 854.8976 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10300 WRITING COORDINATES TO DCD FILE AT STEP 10300 WRITING COORDINATES TO RESTART FILE AT STEP 10300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 28.6982876701 -0.627625091238 -3.04499638015 TCL: atom 1: phi = 0.263292632125 TCL: Center of mass = 28.7014960872 -0.627676225626 -3.04513589074 TCL: atom 1: phi = 0.262883379508 TCL: Center of mass = 28.7046982694 -0.627726729508 -3.04526162089 TCL: atom 1: phi = 0.262194311465 TCL: Center of mass = 28.7078974613 -0.627781538557 -3.04538943248 TCL: atom 1: phi = 0.261870172274 TCL: Center of mass = 28.7111011205 -0.627833821348 -3.04552221415 TCL: atom 1: phi = 0.261301203785 TCL: Center of mass = 28.7143086071 -0.627881508536 -3.04565447644 TCL: atom 1: phi = 0.261182855526 TCL: Center of mass = 28.7175174301 -0.62793345927 -3.04578139595 TCL: atom 1: phi = 0.260892223293 TCL: Center of mass = 28.7207328412 -0.627977525281 -3.04591222142 TCL: atom 1: phi = 0.261059686775 TCL: Center of mass = 28.7239593474 -0.628023921593 -3.0460590001 TCL: atom 1: phi = 0.26109853542 TCL: Center of mass = 28.7271927125 -0.628075192393 -3.0462037257 TCL: atom 1: phi = 0.261617635763 TCL: Center of mass = 28.7304157689 -0.628122262027 -3.04635126854 TCL: atom 1: phi = 0.261970350212 TCL: Center of mass = 28.7336365221 -0.628164673715 -3.04649832132 TCL: atom 1: phi = 0.262677755238 TCL: Center of mass = 28.7368613349 -0.628208881716 -3.04664495219 TCL: atom 1: phi = 0.263045447311 TCL: Center of mass = 28.740098109 -0.628258521427 -3.04680695374 TCL: atom 1: phi = 0.263603508612 TCL: Center of mass = 28.7433155733 -0.628311916615 -3.04698570222 TCL: atom 1: phi = 0.263720637985 TCL: Center of mass = 28.746530768 -0.628372707325 -3.04716825125 TCL: atom 1: phi = 0.263935159692 TCL: Center of mass = 28.7497431686 -0.628439237505 -3.0473439269 TCL: atom 1: phi = 0.263772123075 TCL: Center of mass = 28.7529543303 -0.628513520424 -3.04750908371 TCL: atom 1: phi = 0.263775681856 TCL: Center of mass = 28.756170091 -0.628582760005 -3.04765603731 TCL: atom 1: phi = 0.263423599054 TCL: Center of mass = 28.7593857311 -0.628658502384 -3.04779664475 TCL: atom 1: phi = 0.263296495401 TCL: Center of mass = 28.7626046854 -0.628739751649 -3.0479398456 TCL: atom 1: phi = 0.262818138774 TCL: Center of mass = 28.7658228716 -0.628825945682 -3.0480796413 TCL: atom 1: phi = 0.262539467397 TCL: Center of mass = 28.7690370589 -0.628910321261 -3.04820824118 TCL: atom 1: phi = 0.261925571934 TCL: Center of mass = 28.7722410835 -0.629004953425 -3.04833348805 TCL: atom 1: phi = 0.261560002499 TCL: Center of mass = 28.7754443291 -0.629093332609 -3.04846965824 TCL: atom 1: phi = 0.260986023138 TCL: Center of mass = 28.7786509033 -0.629177231302 -3.0486053022 TCL: atom 1: phi = 0.260732652501 TCL: Center of mass = 28.781865474 -0.629257228863 -3.04874012427 TCL: atom 1: phi = 0.260355806068 TCL: Center of mass = 28.7850748942 -0.629348506336 -3.04887171489 TCL: atom 1: phi = 0.260475125515 TCL: Center of mass = 28.7882870955 -0.629432170572 -3.0490006879 TCL: atom 1: phi = 0.260605669561 TCL: Center of mass = 28.7915067475 -0.629513205579 -3.04913832158 TCL: atom 1: phi = 0.261268676588 TCL: Center of mass = 28.7947236163 -0.629581627914 -3.0492589549 TCL: atom 1: phi = 0.261898256452 TCL: Center of mass = 28.797947044 -0.629639551602 -3.04937936208 TCL: atom 1: phi = 0.262996845197 TCL: Center of mass = 28.8011704783 -0.629686373659 -3.04949925317 TCL: atom 1: phi = 0.263948936665 TCL: Center of mass = 28.8044010447 -0.629748670767 -3.04961794797 TCL: atom 1: phi = 0.265238450413 TCL: Center of mass = 28.8076285036 -0.629815590965 -3.04974389076 TCL: atom 1: phi = 0.266272517872 TCL: Center of mass = 28.8108786703 -0.629890542283 -3.04986567048 TCL: atom 1: phi = 0.267544511958 TCL: Center of mass = 28.8141294831 -0.629978409506 -3.04998330594 TCL: atom 1: phi = 0.268399049125 TCL: Center of mass = 28.8173715913 -0.630065139895 -3.05011706923 TCL: atom 1: phi = 0.269506966989 TCL: Center of mass = 28.8206190377 -0.630149279246 -3.05025582844 TCL: atom 1: phi = 0.270206476713 TCL: Center of mass = 28.8238694062 -0.630241440195 -3.0503900414 TCL: atom 1: phi = 0.271105419022 TCL: Center of mass = 28.8271145085 -0.630339143668 -3.05052728919 TCL: atom 1: phi = 0.271521765051 TCL: Center of mass = 28.8303624134 -0.63043634737 -3.05064879347 TCL: atom 1: phi = 0.272125780743 TCL: Center of mass = 28.8336077084 -0.63053754059 -3.05077382725 TCL: atom 1: phi = 0.272091958102 TCL: Center of mass = 28.836864678 -0.630645862069 -3.05089697054 TCL: atom 1: phi = 0.272186375578 TCL: Center of mass = 28.8401313497 -0.630756095456 -3.05102493427 TCL: atom 1: phi = 0.271733542051 TCL: Center of mass = 28.8434025249 -0.630861314866 -3.05117747689 TCL: atom 1: phi = 0.271456461034 TCL: Center of mass = 28.8466734323 -0.63096410958 -3.05134395534 TCL: atom 1: phi = 0.270681443989 TCL: Center of mass = 28.8499407889 -0.631067603579 -3.05151509404 TCL: atom 1: phi = 0.270169609033 TCL: Center of mass = 28.8532142888 -0.631158972931 -3.05168507811 TCL: atom 1: phi = 0.269307129594 TCL: Center of mass = 28.8564904418 -0.631249842132 -3.05184632654 TCL: atom 1: phi = 0.268763580902 TCL: Center of mass = 28.8597685599 -0.631341040332 -3.05201192143 TCL: atom 1: phi = 0.267827358856 TCL: Center of mass = 28.8630519392 -0.631434101497 -3.05218900333 TCL: atom 1: phi = 0.267127569776 TCL: Center of mass = 28.8663270659 -0.631522422319 -3.0523661947 TCL: atom 1: phi = 0.266072268963 TCL: Center of mass = 28.8696001697 -0.631605784077 -3.05254556993 TCL: atom 1: phi = 0.265239240391 TCL: Center of mass = 28.8728797113 -0.631682500503 -3.0527235452 TCL: atom 1: phi = 0.26402374847 TCL: Center of mass = 28.8761692722 -0.631753059394 -3.05289903617 TCL: atom 1: phi = 0.262952903035 TCL: Center of mass = 28.8794529851 -0.631815252346 -3.05308686677 TCL: atom 1: phi = 0.261513506361 TCL: Center of mass = 28.8827267339 -0.631869273337 -3.05326807928 TCL: atom 1: phi = 0.260287905352 TCL: Center of mass = 28.8859984391 -0.631915200886 -3.05345501375 TCL: atom 1: phi = 0.258878727445 TCL: Center of mass = 28.889269602 -0.631959389504 -3.05364780513 TCL: atom 1: phi = 0.257785726408 TCL: Center of mass = 28.8925488761 -0.632008513241 -3.05383644799 TCL: atom 1: phi = 0.256549734964 TCL: Center of mass = 28.8958288565 -0.632073103471 -3.05402552049 TCL: atom 1: phi = 0.255617746412 TCL: Center of mass = 28.8990959682 -0.632133315888 -3.05420324075 TCL: atom 1: phi = 0.254588899913 TCL: Center of mass = 28.9023481629 -0.632181438809 -3.05438053542 TCL: atom 1: phi = 0.253906319992 TCL: Center of mass = 28.9055873369 -0.632230218857 -3.05456706079 TCL: atom 1: phi = 0.25317839665 TCL: Center of mass = 28.9088495379 -0.632281231957 -3.05474144119 TCL: atom 1: phi = 0.252853868233 TCL: Center of mass = 28.9121170147 -0.632335604315 -3.05492163235 TCL: atom 1: phi = 0.252616799957 TCL: Center of mass = 28.9153781137 -0.632395708215 -3.05510805156 TCL: atom 1: phi = 0.25285569043 TCL: Center of mass = 28.9186438517 -0.632452108563 -3.05530029664 TCL: atom 1: phi = 0.253254233466 TCL: Center of mass = 28.9219109361 -0.632506391537 -3.05548914794 TCL: atom 1: phi = 0.25408955789 TCL: Center of mass = 28.9251691146 -0.632568251508 -3.05567363232 TCL: atom 1: phi = 0.254985639993 TCL: Center of mass = 28.9284424372 -0.632626018202 -3.05585900819 TCL: atom 1: phi = 0.256192677825 TCL: Center of mass = 28.9317108977 -0.63267653258 -3.05603073235 TCL: atom 1: phi = 0.257346224248 TCL: Center of mass = 28.9349826182 -0.63272437334 -3.05621430721 TCL: atom 1: phi = 0.25870050879 TCL: Center of mass = 28.9382574022 -0.632770299845 -3.05640122744 TCL: atom 1: phi = 0.259910679184 TCL: Center of mass = 28.9415381605 -0.632800304316 -3.05657982249 TCL: atom 1: phi = 0.261265863425 TCL: Center of mass = 28.9448207076 -0.632835018016 -3.05676222654 TCL: atom 1: phi = 0.262320658774 TCL: Center of mass = 28.9481013908 -0.632864531279 -3.05694163989 TCL: atom 1: phi = 0.263430626937 TCL: Center of mass = 28.9513872433 -0.632899956421 -3.05712281646 TCL: atom 1: phi = 0.264331630215 TCL: Center of mass = 28.954677207 -0.632932881564 -3.05730533156 TCL: atom 1: phi = 0.2654225074 TCL: Center of mass = 28.9579735825 -0.6329619208 -3.05748471099 TCL: atom 1: phi = 0.266195795629 TCL: Center of mass = 28.9612718043 -0.632987831266 -3.0576659265 TCL: atom 1: phi = 0.267079190143 TCL: Center of mass = 28.9645753804 -0.633003050676 -3.05784468668 TCL: atom 1: phi = 0.267691223953 TCL: Center of mass = 28.9678838025 -0.633009532912 -3.05803516264 TCL: atom 1: phi = 0.268401839702 TCL: Center of mass = 28.9711958004 -0.633024081423 -3.05823849564 TCL: atom 1: phi = 0.268824418636 TCL: Center of mass = 28.9744987623 -0.633030333215 -3.05844449283 TCL: atom 1: phi = 0.269415829233 TCL: Center of mass = 28.9778072174 -0.633042191588 -3.05865590156 TCL: atom 1: phi = 0.269825022184 TCL: Center of mass = 28.9811203219 -0.633061849165 -3.05885319695 TCL: atom 1: phi = 0.270530249864 TCL: Center of mass = 28.9844423351 -0.6330710702 -3.05904588995 TCL: atom 1: phi = 0.271096292387 TCL: Center of mass = 28.987773225 -0.633077613209 -3.05924216267 TCL: atom 1: phi = 0.271983533315 TCL: Center of mass = 28.9911095518 -0.633073442855 -3.05943830388 TCL: atom 1: phi = 0.272687179215 TCL: Center of mass = 28.9944450406 -0.633074212172 -3.05964368066 TCL: atom 1: phi = 0.273563160404 TCL: Center of mass = 28.9977836669 -0.633077129688 -3.05986364162 TCL: atom 1: phi = 0.274101274388 TCL: Center of mass = 29.0011223997 -0.633096762749 -3.06007324175 TCL: atom 1: phi = 0.274772612136 TCL: Center of mass = 29.0044570628 -0.633123516019 -3.06027885474 TCL: atom 1: phi = 0.275111499694 TCL: Center of mass = 29.0077853813 -0.633150359546 -3.06047919091 TCL: atom 1: phi = 0.27554609168 TCL: Center of mass = 29.0111160476 -0.633173378146 -3.06067555912 TCL: atom 1: phi = 0.275628576286 TCL: Center of mass = 29.0144538497 -0.633186645532 -3.06087697567 TCL: atom 1: phi = 0.275911531845 TCL: Center of mass = 29.0177860535 -0.633196054885 -3.06108967712 TCL: atom 1: phi = 0.27591922684 TCL: Center of mass = 29.0211139947 -0.633207669754 -3.06130471628 TCL: atom 1: phi = 0.276068495766 TIMING: 10400 CPU: 1779.93, 0.172704/step Wall: 2176.01, 0.211206/step, 0.563215 hours remaining, 21993 kB of memory in use. ENERGY: 10400 400.2756 690.4764 413.9842 42.4056 -2757.4242 -226.7432 0.0000 0.0000 1156.5552 -280.4704 315.1936 -272.2274 -270.8399 316.1823 728.2180 807.2203 64000.0000 631.2997 635.3304 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10400 WRITING COORDINATES TO DCD FILE AT STEP 10400 WRITING COORDINATES TO RESTART FILE AT STEP 10400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 29.0244526456 -0.633209920759 -3.06151264678 TCL: atom 1: phi = 0.275915194072 TCL: Center of mass = 29.0278042555 -0.633206129527 -3.06171854878 TCL: atom 1: phi = 0.275870351116 TCL: Center of mass = 29.0311611809 -0.633197557559 -3.06192281867 TCL: atom 1: phi = 0.275580698759 TCL: Center of mass = 29.0345247875 -0.633192954356 -3.06213106182 TCL: atom 1: phi = 0.275504348081 TCL: Center of mass = 29.0378813397 -0.633187411432 -3.06234049324 TCL: atom 1: phi = 0.275269347693 TCL: Center of mass = 29.0412309232 -0.633181622829 -3.06254873227 TCL: atom 1: phi = 0.275407867797 TCL: Center of mass = 29.0445631447 -0.633176335417 -3.06276386043 TCL: atom 1: phi = 0.275496320546 TCL: Center of mass = 29.0478982819 -0.633159927967 -3.06296851029 TCL: atom 1: phi = 0.275936933471 TCL: Center of mass = 29.0512373201 -0.633138410905 -3.06318519175 TCL: atom 1: phi = 0.276278271574 TCL: Center of mass = 29.0545713182 -0.633133407462 -3.06339124422 TCL: atom 1: phi = 0.276930485693 TCL: Center of mass = 29.0579133854 -0.633129768566 -3.06358986669 TCL: atom 1: phi = 0.277335740256 TCL: Center of mass = 29.0612605712 -0.633112681504 -3.06379438389 TCL: atom 1: phi = 0.277926704826 TCL: Center of mass = 29.0646076396 -0.633088269407 -3.06399123959 TCL: atom 1: phi = 0.27813331864 TCL: Center of mass = 29.0679696064 -0.633054783421 -3.06418132083 TCL: atom 1: phi = 0.278373937063 TCL: Center of mass = 29.0713241084 -0.633016228502 -3.06435726312 TCL: atom 1: phi = 0.278127171433 TCL: Center of mass = 29.0746853981 -0.63297053111 -3.06452282706 TCL: atom 1: phi = 0.277953611148 TCL: Center of mass = 29.0780611185 -0.632915586458 -3.06467720937 TCL: atom 1: phi = 0.277354059686 TCL: Center of mass = 29.0814226613 -0.632861741026 -3.06485143497 TCL: atom 1: phi = 0.27686697241 TCL: Center of mass = 29.0847897704 -0.63280559402 -3.06503059124 TCL: atom 1: phi = 0.276051049818 TCL: Center of mass = 29.0881604279 -0.632752333736 -3.06520796453 TCL: atom 1: phi = 0.275319581487 TCL: Center of mass = 29.0915221768 -0.632706109925 -3.06539271225 TCL: atom 1: phi = 0.274268514812 TCL: Center of mass = 29.0948811217 -0.632665045346 -3.06556446449 TCL: atom 1: phi = 0.273306678709 TCL: Center of mass = 29.0982448815 -0.632619807173 -3.06574298554 TCL: atom 1: phi = 0.272065916175 TCL: Center of mass = 29.1016029543 -0.632570437791 -3.06590775293 TCL: atom 1: phi = 0.271008467252 TCL: Center of mass = 29.1049665345 -0.632509458536 -3.06607878327 TCL: atom 1: phi = 0.269749294618 TCL: Center of mass = 29.1083145644 -0.632454576862 -3.06624274324 TCL: atom 1: phi = 0.268876312324 TCL: Center of mass = 29.1116642197 -0.632396075961 -3.06640412906 TCL: atom 1: phi = 0.267977778423 TCL: Center of mass = 29.1150052767 -0.632324656267 -3.06656405674 TCL: atom 1: phi = 0.267548071039 TCL: Center of mass = 29.1183409774 -0.632258846218 -3.06671975104 TCL: atom 1: phi = 0.26719749617 TCL: Center of mass = 29.1216808596 -0.632193883333 -3.06687239249 TCL: atom 1: phi = 0.26730612209 TCL: Center of mass = 29.1250112006 -0.632141756283 -3.06702731211 TCL: atom 1: phi = 0.267390915975 TCL: Center of mass = 29.1283297754 -0.632089023517 -3.06717761733 TCL: atom 1: phi = 0.267767358249 TCL: Center of mass = 29.1316423678 -0.632045437359 -3.0673278115 TCL: atom 1: phi = 0.268002056964 TCL: Center of mass = 29.1349591557 -0.631995872271 -3.06747104322 TCL: atom 1: phi = 0.268496903734 TCL: Center of mass = 29.1382783202 -0.631934350757 -3.06759978397 TCL: atom 1: phi = 0.268812188316 TCL: Center of mass = 29.1415978981 -0.631876794883 -3.06773031005 TCL: atom 1: phi = 0.269348365252 TCL: Center of mass = 29.1449310565 -0.63181136068 -3.06786038368 TCL: atom 1: phi = 0.269671783794 TCL: Center of mass = 29.1482636921 -0.631747407103 -3.06797894553 TCL: atom 1: phi = 0.270277107354 TCL: Center of mass = 29.1515902903 -0.631678356659 -3.06809033913 TCL: atom 1: phi = 0.270733426392 TCL: Center of mass = 29.1549225809 -0.631616404575 -3.06820815997 TCL: atom 1: phi = 0.271402197285 TCL: Center of mass = 29.1582579794 -0.631538451148 -3.06832498893 TCL: atom 1: phi = 0.271936251744 TCL: Center of mass = 29.1615842713 -0.631470738708 -3.0684395076 TCL: atom 1: phi = 0.272757469146 TCL: Center of mass = 29.1649083109 -0.631407355284 -3.0685448425 TCL: atom 1: phi = 0.273397425066 TCL: Center of mass = 29.168237775 -0.63134277437 -3.06864375752 TCL: atom 1: phi = 0.274332371816 TCL: Center of mass = 29.1715521346 -0.631271760277 -3.06873066049 TCL: atom 1: phi = 0.275196506102 TCL: Center of mass = 29.1748502435 -0.631204675581 -3.06881755287 TCL: atom 1: phi = 0.276468467407 TCL: Center of mass = 29.1781620921 -0.631142404777 -3.06890214913 TCL: atom 1: phi = 0.277737668388 TCL: Center of mass = 29.1814838433 -0.631066664099 -3.06898489383 TCL: atom 1: phi = 0.279495729919 TCL: Center of mass = 29.1848024078 -0.630986337539 -3.06906737139 TCL: atom 1: phi = 0.281200658333 TCL: Center of mass = 29.1881180253 -0.630907209876 -3.06915430795 TCL: atom 1: phi = 0.283337484847 TCL: Center of mass = 29.1914352749 -0.630824494332 -3.06924198726 TCL: atom 1: phi = 0.285245642325 TCL: Center of mass = 29.194750643 -0.630749211445 -3.06933918909 TCL: atom 1: phi = 0.287414956621 TCL: Center of mass = 29.1980685696 -0.630677107371 -3.06943796166 TCL: atom 1: phi = 0.289131000881 TCL: Center of mass = 29.2013854324 -0.630594408204 -3.06954652072 TCL: atom 1: phi = 0.291053866351 TCL: Center of mass = 29.2047103176 -0.630519443564 -3.06965453921 TCL: atom 1: phi = 0.292350516457 TCL: Center of mass = 29.20803663 -0.630456822804 -3.06975902583 TCL: atom 1: phi = 0.293786711884 TCL: Center of mass = 29.2113617192 -0.630391023643 -3.06985475473 TCL: atom 1: phi = 0.294539612267 TCL: Center of mass = 29.2146866203 -0.630325502864 -3.06993536862 TCL: atom 1: phi = 0.295453628847 TCL: Center of mass = 29.21800975 -0.630260587145 -3.07002014524 TCL: atom 1: phi = 0.295686621944 TCL: Center of mass = 29.2213308634 -0.630201513977 -3.07012142943 TCL: atom 1: phi = 0.296055787142 TCL: Center of mass = 29.2246497755 -0.630146852664 -3.07022578767 TCL: atom 1: phi = 0.295680574241 TCL: Center of mass = 29.2279580966 -0.630086557889 -3.07032069447 TCL: atom 1: phi = 0.295453371085 TCL: Center of mass = 29.2312799325 -0.630017714755 -3.07042224322 TCL: atom 1: phi = 0.294555487822 TCL: Center of mass = 29.234594007 -0.629943287493 -3.07051321828 TCL: atom 1: phi = 0.293946385027 TCL: Center of mass = 29.2379120769 -0.629868309273 -3.07059763824 TCL: atom 1: phi = 0.292822767641 TCL: Center of mass = 29.2412278275 -0.629799991533 -3.0706836082 TCL: atom 1: phi = 0.292133773503 TCL: Center of mass = 29.2445298823 -0.629737129458 -3.07077426303 TCL: atom 1: phi = 0.291229264061 TCL: Center of mass = 29.2478326606 -0.629681032269 -3.0708629234 TCL: atom 1: phi = 0.290891432791 TCL: Center of mass = 29.251137034 -0.629627505164 -3.07094433052 TCL: atom 1: phi = 0.290337305724 TCL: Center of mass = 29.2544438809 -0.629572722244 -3.07102677786 TCL: atom 1: phi = 0.290298085889 TCL: Center of mass = 29.2577434469 -0.629523518235 -3.0711027908 TCL: atom 1: phi = 0.289966255502 TCL: Center of mass = 29.261045419 -0.629466477844 -3.07119259363 TCL: atom 1: phi = 0.290011321579 TCL: Center of mass = 29.2643513508 -0.629413017576 -3.07129199076 TCL: atom 1: phi = 0.289629512377 TCL: Center of mass = 29.2676612895 -0.629355400959 -3.0713875194 TCL: atom 1: phi = 0.289506968055 TCL: Center of mass = 29.270978557 -0.629307645745 -3.07149047829 TCL: atom 1: phi = 0.288921313742 TCL: Center of mass = 29.2742914675 -0.629254468204 -3.07159465597 TCL: atom 1: phi = 0.288577049655 TCL: Center of mass = 29.2776004418 -0.629208441967 -3.07169613582 TCL: atom 1: phi = 0.287831817719 TCL: Center of mass = 29.2809029479 -0.629163762103 -3.07178497003 TCL: atom 1: phi = 0.287338125342 TCL: Center of mass = 29.2841934402 -0.629117170161 -3.07186143627 TCL: atom 1: phi = 0.286543841464 TCL: Center of mass = 29.2874820428 -0.629070017582 -3.0719368425 TCL: atom 1: phi = 0.286081245641 TCL: Center of mass = 29.2907718634 -0.629025528115 -3.07201860223 TCL: atom 1: phi = 0.285321770084 TCL: Center of mass = 29.2940703474 -0.628985877286 -3.07209247902 TCL: atom 1: phi = 0.284778575458 TCL: Center of mass = 29.2973657011 -0.628944272826 -3.07216589366 TCL: atom 1: phi = 0.283883453177 TCL: Center of mass = 29.3006384778 -0.628897790267 -3.07223157927 TCL: atom 1: phi = 0.283201599232 TCL: Center of mass = 29.303911175 -0.628844844742 -3.07229770442 TCL: atom 1: phi = 0.2823525339 TCL: Center of mass = 29.3071975388 -0.628800734115 -3.07236221909 TCL: atom 1: phi = 0.281925225741 TCL: Center of mass = 29.3104794394 -0.628759972788 -3.07242706653 TCL: atom 1: phi = 0.281466978881 TCL: Center of mass = 29.313767212 -0.62871753039 -3.07250407544 TCL: atom 1: phi = 0.281550247159 TCL: Center of mass = 29.3170522034 -0.628673463892 -3.07257364291 TCL: atom 1: phi = 0.281681855316 TCL: Center of mass = 29.3203286917 -0.628626372034 -3.07264551424 TCL: atom 1: phi = 0.282328139852 TCL: Center of mass = 29.3236065954 -0.628575977446 -3.07271602588 TCL: atom 1: phi = 0.282820747762 TCL: Center of mass = 29.3268802222 -0.628524354967 -3.07278947075 TCL: atom 1: phi = 0.283561555328 TCL: Center of mass = 29.3301598355 -0.628469040007 -3.072861308 TCL: atom 1: phi = 0.283997637601 TCL: Center of mass = 29.3334459865 -0.628416387367 -3.07293267003 TCL: atom 1: phi = 0.284566220137 TCL: Center of mass = 29.3367320294 -0.628374835869 -3.07301156685 TCL: atom 1: phi = 0.284701667199 TCL: Center of mass = 29.3400081423 -0.628333232527 -3.07309191829 TCL: atom 1: phi = 0.284957542556 TCL: Center of mass = 29.3432814642 -0.628296406374 -3.07316805648 TCL: atom 1: phi = 0.284900052734 TCL: Center of mass = 29.3465582502 -0.628254291233 -3.07325527167 TCL: atom 1: phi = 0.28506858356 TCL: Center of mass = 29.3498311281 -0.628202352566 -3.07334703597 TCL: atom 1: phi = 0.28494955915 TCL: Center of mass = 29.3530970115 -0.62815395536 -3.07345001962 TCL: atom 1: phi = 0.285071197467 TIMING: 10500 CPU: 1797.63, 0.176943/step Wall: 2197.1, 0.210914/step, 0.556578 hours remaining, 21999 kB of memory in use. ENERGY: 10500 413.9720 699.4414 420.0757 37.3419 -2767.2321 -235.2679 0.0000 0.0000 1168.0419 -263.6271 318.3241 -254.9262 -254.9951 319.9975 594.1380 497.1828 64000.0000 869.4514 869.2952 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10500 WRITING COORDINATES TO DCD FILE AT STEP 10500 WRITING COORDINATES TO RESTART FILE AT STEP 10500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 29.356361096 -0.628106067871 -3.07354595296 TCL: atom 1: phi = 0.284936580718 TCL: Center of mass = 29.3596251731 -0.628063170466 -3.07364580726 TCL: atom 1: phi = 0.284994482284 TCL: Center of mass = 29.3628853116 -0.628027069118 -3.07374138238 TCL: atom 1: phi = 0.284789706283 TCL: Center of mass = 29.3661467887 -0.627988609348 -3.07384177519 TCL: atom 1: phi = 0.284846160715 TCL: Center of mass = 29.3694066203 -0.627954002539 -3.07393849604 TCL: atom 1: phi = 0.284791482872 TCL: Center of mass = 29.3726757156 -0.627926622703 -3.07403595472 TCL: atom 1: phi = 0.285237346495 TCL: Center of mass = 29.3759427375 -0.627892802959 -3.07415338978 TCL: atom 1: phi = 0.285803787702 TCL: Center of mass = 29.3792016735 -0.6278627043 -3.07428225117 TCL: atom 1: phi = 0.287083333473 TCL: Center of mass = 29.3824522781 -0.627834955528 -3.07441191953 TCL: atom 1: phi = 0.288517223051 TCL: Center of mass = 29.3857071797 -0.627800414854 -3.07455233835 TCL: atom 1: phi = 0.290574484027 TCL: Center of mass = 29.3889685208 -0.627773319611 -3.07469939437 TCL: atom 1: phi = 0.292548838453 TCL: Center of mass = 29.3922276056 -0.627752597855 -3.0748422444 TCL: atom 1: phi = 0.294851347715 TCL: Center of mass = 29.3954982663 -0.627722417954 -3.07498132939 TCL: atom 1: phi = 0.296763900303 TCL: Center of mass = 29.398766779 -0.627696409863 -3.07512082611 TCL: atom 1: phi = 0.298865954645 TCL: Center of mass = 29.402027527 -0.627658989043 -3.07526534922 TCL: atom 1: phi = 0.300353699476 TCL: Center of mass = 29.4052687373 -0.6276221662 -3.07541335807 TCL: atom 1: phi = 0.302020648705 TCL: Center of mass = 29.4084989013 -0.627584149799 -3.07556559005 TCL: atom 1: phi = 0.303110204688 TCL: Center of mass = 29.4117283164 -0.627546661437 -3.0757217121 TCL: atom 1: phi = 0.304453756484 TCL: Center of mass = 29.4149409689 -0.627509247671 -3.07587123327 TCL: atom 1: phi = 0.305219215465 TCL: Center of mass = 29.4181559821 -0.627475467387 -3.07602889685 TCL: atom 1: phi = 0.306188770735 TCL: Center of mass = 29.4213683975 -0.627442863514 -3.07618635669 TCL: atom 1: phi = 0.306539222292 TCL: Center of mass = 29.4245930865 -0.627408836192 -3.07634143968 TCL: atom 1: phi = 0.306975431702 TCL: Center of mass = 29.4278100568 -0.627365088062 -3.07648848189 TCL: atom 1: phi = 0.306668398103 TCL: Center of mass = 29.4310262901 -0.627329712545 -3.07663290137 TCL: atom 1: phi = 0.30648626459 TCL: Center of mass = 29.4342458062 -0.627296457082 -3.07677573074 TCL: atom 1: phi = 0.305701143741 TCL: Center of mass = 29.4374610622 -0.627277837212 -3.07691546455 TCL: atom 1: phi = 0.305158046554 TCL: Center of mass = 29.4406542556 -0.627249060769 -3.07705239724 TCL: atom 1: phi = 0.304250735211 TCL: Center of mass = 29.4438524831 -0.627223671925 -3.0771837409 TCL: atom 1: phi = 0.303793080609 TCL: Center of mass = 29.4470454405 -0.627188708388 -3.07731225128 TCL: atom 1: phi = 0.303117251415 TCL: Center of mass = 29.4502391598 -0.627158432482 -3.07743978126 TCL: atom 1: phi = 0.302832024204 TCL: Center of mass = 29.4534202747 -0.627133064247 -3.07757353238 TCL: atom 1: phi = 0.302255397355 TCL: Center of mass = 29.4566082167 -0.627102642551 -3.07771469338 TCL: atom 1: phi = 0.301873891809 TCL: Center of mass = 29.4598066867 -0.627066269462 -3.07784866564 TCL: atom 1: phi = 0.301070480932 TCL: Center of mass = 29.462998931 -0.627024785015 -3.07798783603 TCL: atom 1: phi = 0.300336036261 TCL: Center of mass = 29.4661958518 -0.626967756008 -3.07812764906 TCL: atom 1: phi = 0.299192886926 TCL: Center of mass = 29.4693896202 -0.626915755823 -3.07826324077 TCL: atom 1: phi = 0.298092032618 TCL: Center of mass = 29.4725935748 -0.626868741328 -3.07839991852 TCL: atom 1: phi = 0.296690992364 TCL: Center of mass = 29.475796876 -0.626828067487 -3.07853925727 TCL: atom 1: phi = 0.295519756451 TCL: Center of mass = 29.4790002283 -0.626779007966 -3.07868757071 TCL: atom 1: phi = 0.294133609085 TCL: Center of mass = 29.4821905097 -0.626731176882 -3.07883364218 TCL: atom 1: phi = 0.292999215522 TCL: Center of mass = 29.4853826548 -0.626674802263 -3.07896521559 TCL: atom 1: phi = 0.291729795922 TCL: Center of mass = 29.4885793693 -0.626614881048 -3.07909785667 TCL: atom 1: phi = 0.290716962119 TCL: Center of mass = 29.491766293 -0.626557358226 -3.07922286837 TCL: atom 1: phi = 0.289663158689 TCL: Center of mass = 29.4949647646 -0.626501192206 -3.07934767268 TCL: atom 1: phi = 0.288897175802 TCL: Center of mass = 29.4981521463 -0.626441199663 -3.07949385252 TCL: atom 1: phi = 0.288067570754 TCL: Center of mass = 29.5013423833 -0.626375364237 -3.07964901615 TCL: atom 1: phi = 0.287674436738 TCL: Center of mass = 29.5045330239 -0.626295981429 -3.07980304063 TCL: atom 1: phi = 0.287419204467 TCL: Center of mass = 29.5077211554 -0.626208050172 -3.07996128309 TCL: atom 1: phi = 0.287685636579 TCL: Center of mass = 29.5109239262 -0.626123989447 -3.08010860384 TCL: atom 1: phi = 0.28813387885 TCL: Center of mass = 29.5141145423 -0.626049852142 -3.08024731404 TCL: atom 1: phi = 0.289082144003 TCL: Center of mass = 29.5173076474 -0.625968212988 -3.08038126109 TCL: atom 1: phi = 0.290084138779 TCL: Center of mass = 29.5204924593 -0.625886832392 -3.08052274773 TCL: atom 1: phi = 0.291310048428 TCL: Center of mass = 29.5236752464 -0.625806634008 -3.08065886139 TCL: atom 1: phi = 0.292339567408 TCL: Center of mass = 29.5268541237 -0.625723868596 -3.08080332686 TCL: atom 1: phi = 0.293440953207 TCL: Center of mass = 29.5300304849 -0.625630779944 -3.08094053595 TCL: atom 1: phi = 0.294309842688 TCL: Center of mass = 29.5332105011 -0.625544086566 -3.08108783176 TCL: atom 1: phi = 0.295227594676 TCL: Center of mass = 29.5363962285 -0.625450469279 -3.08124423658 TCL: atom 1: phi = 0.295816583704 TCL: Center of mass = 29.5395734151 -0.625352821963 -3.08140746273 TCL: atom 1: phi = 0.296513013594 TCL: Center of mass = 29.5427401896 -0.625260631981 -3.08156181742 TCL: atom 1: phi = 0.296957823609 TCL: Center of mass = 29.5458998762 -0.625173986096 -3.08170587217 TCL: atom 1: phi = 0.297567096512 TCL: Center of mass = 29.5490602301 -0.625093019014 -3.08183765898 TCL: atom 1: phi = 0.297875651994 TCL: Center of mass = 29.5522227168 -0.625022258284 -3.08196646769 TCL: atom 1: phi = 0.298299629511 TCL: Center of mass = 29.5553958051 -0.624956232469 -3.08210101342 TCL: atom 1: phi = 0.29840961743 TCL: Center of mass = 29.5585714334 -0.624892061716 -3.08224810024 TCL: atom 1: phi = 0.298653859111 TCL: Center of mass = 29.5617381941 -0.624838110257 -3.08239643268 TCL: atom 1: phi = 0.298524838517 TCL: Center of mass = 29.5649070244 -0.624789943795 -3.08256497075 TCL: atom 1: phi = 0.298526686191 TCL: Center of mass = 29.5680820824 -0.624741057895 -3.08272817198 TCL: atom 1: phi = 0.298310198732 TCL: Center of mass = 29.5712554729 -0.624695019088 -3.08289399598 TCL: atom 1: phi = 0.298507992065 TCL: Center of mass = 29.5744288833 -0.624651584998 -3.08305491156 TCL: atom 1: phi = 0.298636671251 TCL: Center of mass = 29.577597516 -0.624610351083 -3.08320692095 TCL: atom 1: phi = 0.299145365344 TCL: Center of mass = 29.5807620394 -0.624567920989 -3.08336363602 TCL: atom 1: phi = 0.299543501031 TCL: Center of mass = 29.5839362088 -0.624514317406 -3.08352721844 TCL: atom 1: phi = 0.300227352037 TCL: Center of mass = 29.5871046572 -0.624460119107 -3.08369153473 TCL: atom 1: phi = 0.300658375432 TCL: Center of mass = 29.5902722826 -0.624408195314 -3.08385090879 TCL: atom 1: phi = 0.301254433135 TCL: Center of mass = 29.5934436233 -0.624352505524 -3.08400850638 TCL: atom 1: phi = 0.301527266799 TCL: Center of mass = 29.5966186937 -0.624293996111 -3.08415123489 TCL: atom 1: phi = 0.301968069021 TCL: Center of mass = 29.5997896052 -0.624230724386 -3.08428960884 TCL: atom 1: phi = 0.302091256435 TCL: Center of mass = 29.6029578948 -0.624171866636 -3.08442635352 TCL: atom 1: phi = 0.302435800082 TCL: Center of mass = 29.606116298 -0.624113596922 -3.08456428904 TCL: atom 1: phi = 0.30263935031 TCL: Center of mass = 29.6092756673 -0.624038711411 -3.08470431583 TCL: atom 1: phi = 0.303115259233 TCL: Center of mass = 29.6124465782 -0.623964779201 -3.08485103583 TCL: atom 1: phi = 0.303459229067 TCL: Center of mass = 29.6156174557 -0.623889871263 -3.08498579503 TCL: atom 1: phi = 0.304078377472 TCL: Center of mass = 29.6187809344 -0.62380728767 -3.08513523114 TCL: atom 1: phi = 0.304457954081 TCL: Center of mass = 29.6219485565 -0.623711707961 -3.08528463457 TCL: atom 1: phi = 0.30506137805 TCL: Center of mass = 29.6251095262 -0.623606095038 -3.0854238012 TCL: atom 1: phi = 0.305441120373 TCL: Center of mass = 29.6282679598 -0.6235002136 -3.08556108079 TCL: atom 1: phi = 0.306153664448 TCL: Center of mass = 29.631419064 -0.623385268568 -3.08569382699 TCL: atom 1: phi = 0.306728688042 TCL: Center of mass = 29.6345687265 -0.623271252893 -3.08582376701 TCL: atom 1: phi = 0.307726148258 TCL: Center of mass = 29.6377213258 -0.623165524055 -3.08595885499 TCL: atom 1: phi = 0.308621358665 TCL: Center of mass = 29.6408673326 -0.62305023159 -3.08610269504 TCL: atom 1: phi = 0.309891643312 TCL: Center of mass = 29.644024741 -0.622932604369 -3.08624643682 TCL: atom 1: phi = 0.311003241471 TCL: Center of mass = 29.6471768367 -0.622827695842 -3.08639695421 TCL: atom 1: phi = 0.312295121782 TCL: Center of mass = 29.6503311149 -0.622727685895 -3.08655323109 TCL: atom 1: phi = 0.313104785137 TCL: Center of mass = 29.6534852855 -0.622617266452 -3.08670828442 TCL: atom 1: phi = 0.313852907326 TCL: Center of mass = 29.6566243003 -0.622509287471 -3.08685716424 TCL: atom 1: phi = 0.313938163321 TCL: Center of mass = 29.6597538963 -0.622413307692 -3.08700910919 TCL: atom 1: phi = 0.313942242186 TCL: Center of mass = 29.6628995659 -0.622319292064 -3.08716411934 TCL: atom 1: phi = 0.313375177879 TCL: Center of mass = 29.6660424058 -0.62223155708 -3.08730682459 TCL: atom 1: phi = 0.312816263254 TCL: Center of mass = 29.6691927607 -0.622148986052 -3.08746224179 TCL: atom 1: phi = 0.311837468617 TCL: Center of mass = 29.6723292203 -0.622062752845 -3.08762603406 TCL: atom 1: phi = 0.31102646396 TIMING: 10600 CPU: 1814.84, 0.172114/step Wall: 2218.19, 0.21086/step, 0.550579 hours remaining, 21999 kB of memory in use. ENERGY: 10600 385.6716 674.9290 414.4810 48.0595 -2774.2582 -189.8410 0.0000 0.0000 1162.3656 -278.5924 316.7771 -270.1008 -269.5052 318.2625 855.5746 782.3920 64000.0000 687.8318 686.2295 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10600 WRITING COORDINATES TO DCD FILE AT STEP 10600 WRITING COORDINATES TO RESTART FILE AT STEP 10600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 29.6754614719 -0.621973534925 -3.08779637289 TCL: atom 1: phi = 0.309878401048 TCL: Center of mass = 29.6786008494 -0.621890446053 -3.08796173118 TCL: atom 1: phi = 0.308892899437 TCL: Center of mass = 29.6817351863 -0.621797630125 -3.08811316039 TCL: atom 1: phi = 0.307586512821 TCL: Center of mass = 29.6848795844 -0.621701189305 -3.08826496127 TCL: atom 1: phi = 0.306478746165 TCL: Center of mass = 29.6880088056 -0.621602821642 -3.08842503532 TCL: atom 1: phi = 0.305114961237 TCL: Center of mass = 29.6911535175 -0.621510194938 -3.08859941724 TCL: atom 1: phi = 0.303955363027 TCL: Center of mass = 29.6942862677 -0.621420560544 -3.08877283421 TCL: atom 1: phi = 0.302641352115 TCL: Center of mass = 29.6974163644 -0.621331967134 -3.08896622688 TCL: atom 1: phi = 0.301610483497 TCL: Center of mass = 29.7005513458 -0.621245569331 -3.08917005507 TCL: atom 1: phi = 0.300491882658 TCL: Center of mass = 29.703702254 -0.621163494501 -3.08938025475 TCL: atom 1: phi = 0.299704677708 TCL: Center of mass = 29.7068404488 -0.621078125488 -3.08958388728 TCL: atom 1: phi = 0.298884114541 TCL: Center of mass = 29.7099768326 -0.620986834117 -3.08977662138 TCL: atom 1: phi = 0.298328586477 TCL: Center of mass = 29.7131119602 -0.62090017887 -3.08996892917 TCL: atom 1: phi = 0.297616507265 TCL: Center of mass = 29.7162533937 -0.62081454473 -3.09016936549 TCL: atom 1: phi = 0.297093876466 TCL: Center of mass = 29.7193975403 -0.620739468307 -3.09036538458 TCL: atom 1: phi = 0.296328168374 TCL: Center of mass = 29.7225424586 -0.620678255232 -3.09056374152 TCL: atom 1: phi = 0.29562355569 TCL: Center of mass = 29.725696866 -0.620625137176 -3.09077476682 TCL: atom 1: phi = 0.294723709683 TCL: Center of mass = 29.7288526566 -0.620576547448 -3.0909776249 TCL: atom 1: phi = 0.293969906194 TCL: Center of mass = 29.732009969 -0.620531690664 -3.09118829339 TCL: atom 1: phi = 0.293092101104 TCL: Center of mass = 29.7351703709 -0.620491999271 -3.09139741306 TCL: atom 1: phi = 0.292449269715 TCL: Center of mass = 29.7383342654 -0.620439976742 -3.09160894787 TCL: atom 1: phi = 0.291717664407 TCL: Center of mass = 29.7415077563 -0.620377815264 -3.09182646677 TCL: atom 1: phi = 0.291312262711 TCL: Center of mass = 29.744683101 -0.620305508706 -3.09204685606 TCL: atom 1: phi = 0.290868921728 TCL: Center of mass = 29.7478647823 -0.620227971875 -3.09226094104 TCL: atom 1: phi = 0.290732405464 TCL: Center of mass = 29.7510595433 -0.620150174003 -3.09248053114 TCL: atom 1: phi = 0.290542548382 TCL: Center of mass = 29.7542698183 -0.62008333442 -3.09270346894 TCL: atom 1: phi = 0.290629668627 TCL: Center of mass = 29.7574674416 -0.62000980328 -3.0929295462 TCL: atom 1: phi = 0.290614397774 TCL: Center of mass = 29.7606737808 -0.619930691072 -3.09315075717 TCL: atom 1: phi = 0.290786265228 TCL: Center of mass = 29.7638798346 -0.619846086919 -3.09335738845 TCL: atom 1: phi = 0.290847623094 TCL: Center of mass = 29.7670787077 -0.619760658462 -3.0935676411 TCL: atom 1: phi = 0.291144186009 TCL: Center of mass = 29.7702775759 -0.619662357302 -3.09376522438 TCL: atom 1: phi = 0.291342050877 TCL: Center of mass = 29.7734787842 -0.619574761118 -3.09395529439 TCL: atom 1: phi = 0.291786566527 TCL: Center of mass = 29.776680743 -0.619498090873 -3.09414694901 TCL: atom 1: phi = 0.292034624389 TCL: Center of mass = 29.7798755969 -0.619426799253 -3.09433603325 TCL: atom 1: phi = 0.292409063821 TCL: Center of mass = 29.7830812258 -0.619353984714 -3.09453140528 TCL: atom 1: phi = 0.292488083058 TCL: Center of mass = 29.7862894085 -0.619292859152 -3.09473665541 TCL: atom 1: phi = 0.292547854663 TCL: Center of mass = 29.7895020312 -0.619245322465 -3.09494636819 TCL: atom 1: phi = 0.292245827746 TCL: Center of mass = 29.7927189084 -0.619208376135 -3.09516301396 TCL: atom 1: phi = 0.292007813776 TCL: Center of mass = 29.7959479122 -0.619179414762 -3.09537878835 TCL: atom 1: phi = 0.291520126671 TCL: Center of mass = 29.7991800715 -0.619152956486 -3.09560670305 TCL: atom 1: phi = 0.291240034689 TCL: Center of mass = 29.8024155924 -0.619121753566 -3.095840401 TCL: atom 1: phi = 0.290810957813 TCL: Center of mass = 29.8056592386 -0.619093123499 -3.09607267164 TCL: atom 1: phi = 0.290682293834 TCL: Center of mass = 29.8089035528 -0.619065338398 -3.09629283081 TCL: atom 1: phi = 0.290440898832 TCL: Center of mass = 29.8121456207 -0.619027746362 -3.09651199928 TCL: atom 1: phi = 0.29052497196 TCL: Center of mass = 29.8153805016 -0.618998305136 -3.09674148242 TCL: atom 1: phi = 0.290464459358 TCL: Center of mass = 29.8185982485 -0.618972061907 -3.09698176615 TCL: atom 1: phi = 0.290790663415 TCL: Center of mass = 29.8218060717 -0.618942027655 -3.09721557312 TCL: atom 1: phi = 0.290898202201 TCL: Center of mass = 29.8250035325 -0.618906127028 -3.09744453377 TCL: atom 1: phi = 0.291255960822 TCL: Center of mass = 29.8281929997 -0.6188804402 -3.09767046234 TCL: atom 1: phi = 0.291328500661 TCL: Center of mass = 29.8313972725 -0.618864256942 -3.09789331072 TCL: atom 1: phi = 0.291621980792 TCL: Center of mass = 29.8345991629 -0.618853065742 -3.09810543056 TCL: atom 1: phi = 0.291623791285 TCL: Center of mass = 29.8377930274 -0.618846037399 -3.09832651811 TCL: atom 1: phi = 0.291842970531 TCL: Center of mass = 29.8409953853 -0.618842580751 -3.09854845582 TCL: atom 1: phi = 0.291684153833 TCL: Center of mass = 29.8442086368 -0.618843620355 -3.09876693565 TCL: atom 1: phi = 0.291689597972 TCL: Center of mass = 29.8474263095 -0.618849651777 -3.09897931723 TCL: atom 1: phi = 0.291240166702 TCL: Center of mass = 29.8506519562 -0.618857343729 -3.0991959396 TCL: atom 1: phi = 0.290987777562 TCL: Center of mass = 29.8538886128 -0.618869855609 -3.09941546751 TCL: atom 1: phi = 0.29028848432 TCL: Center of mass = 29.8571165479 -0.618870746104 -3.09963116368 TCL: atom 1: phi = 0.289741945386 TCL: Center of mass = 29.8603505656 -0.61888282526 -3.09984104211 TCL: atom 1: phi = 0.288733789876 TCL: Center of mass = 29.8635864173 -0.618904656587 -3.10004519771 TCL: atom 1: phi = 0.287989795284 TCL: Center of mass = 29.8668253013 -0.618927260617 -3.10024843126 TCL: atom 1: phi = 0.286974786348 TCL: Center of mass = 29.870054516 -0.618944631947 -3.10045120745 TCL: atom 1: phi = 0.286269744708 TCL: Center of mass = 29.8732790762 -0.618976720659 -3.10065270775 TCL: atom 1: phi = 0.285403561221 TCL: Center of mass = 29.8764954737 -0.61899806799 -3.10085172517 TCL: atom 1: phi = 0.284955823178 TCL: Center of mass = 29.8797225875 -0.619016241343 -3.10105616891 TCL: atom 1: phi = 0.284290361688 TCL: Center of mass = 29.8829566805 -0.619028177827 -3.1012613744 TCL: atom 1: phi = 0.284011122332 TCL: Center of mass = 29.886195417 -0.619043618189 -3.10147345363 TCL: atom 1: phi = 0.283517821281 TCL: Center of mass = 29.8894346001 -0.619059292039 -3.10168389421 TCL: atom 1: phi = 0.283329490089 TCL: Center of mass = 29.8926711259 -0.6190754514 -3.10189516957 TCL: atom 1: phi = 0.282765802334 TCL: Center of mass = 29.8959114457 -0.619095302396 -3.10210171196 TCL: atom 1: phi = 0.282527045695 TCL: Center of mass = 29.8991622527 -0.619109191463 -3.10231070657 TCL: atom 1: phi = 0.281937982763 TCL: Center of mass = 29.9024080559 -0.619118331749 -3.10251686509 TCL: atom 1: phi = 0.281634995781 TCL: Center of mass = 29.9056605959 -0.619120697524 -3.10271458279 TCL: atom 1: phi = 0.280987300146 TCL: Center of mass = 29.908913604 -0.619131350903 -3.10290517135 TCL: atom 1: phi = 0.280576434009 TCL: Center of mass = 29.9121663103 -0.619145157054 -3.10308845374 TCL: atom 1: phi = 0.279781639611 TCL: Center of mass = 29.9154163013 -0.61915806829 -3.1032647454 TCL: atom 1: phi = 0.279231779858 TCL: Center of mass = 29.9186768218 -0.619171720491 -3.10343157839 TCL: atom 1: phi = 0.278287768407 TCL: Center of mass = 29.9219480296 -0.619184881616 -3.10358982309 TCL: atom 1: phi = 0.277639394321 TCL: Center of mass = 29.925231959 -0.619202650495 -3.10375288497 TCL: atom 1: phi = 0.276709715816 TCL: Center of mass = 29.9285077347 -0.619212952476 -3.1039272193 TCL: atom 1: phi = 0.276096606524 TCL: Center of mass = 29.931779605 -0.61921756866 -3.10409874711 TCL: atom 1: phi = 0.275174198022 TCL: Center of mass = 29.9350497635 -0.619229946043 -3.10427328123 TCL: atom 1: phi = 0.274657965533 TCL: Center of mass = 29.9383162419 -0.619252328033 -3.10444286241 TCL: atom 1: phi = 0.273923036594 TCL: Center of mass = 29.9415885265 -0.619265910053 -3.1046091539 TCL: atom 1: phi = 0.273613024239 TCL: Center of mass = 29.9448579414 -0.619266764526 -3.10477547592 TCL: atom 1: phi = 0.273042841058 TCL: Center of mass = 29.9481425105 -0.619258715963 -3.10493878484 TCL: atom 1: phi = 0.272900267953 TCL: Center of mass = 29.9514265716 -0.619253229666 -3.10509829524 TCL: atom 1: phi = 0.272536526266 TCL: Center of mass = 29.9547098398 -0.619242025313 -3.10525872688 TCL: atom 1: phi = 0.27245633928 TCL: Center of mass = 29.9579858276 -0.619241197514 -3.10541488234 TCL: atom 1: phi = 0.271998293899 TCL: Center of mass = 29.9612656223 -0.619252993624 -3.10557205298 TCL: atom 1: phi = 0.271796071654 TCL: Center of mass = 29.964543756 -0.61926734181 -3.10571921776 TCL: atom 1: phi = 0.271178420426 TCL: Center of mass = 29.9678363182 -0.61928640987 -3.1058741429 TCL: atom 1: phi = 0.270773104552 TCL: Center of mass = 29.9711398177 -0.619311570273 -3.10602600091 TCL: atom 1: phi = 0.269948002597 TCL: Center of mass = 29.9744382123 -0.619338728561 -3.10617885922 TCL: atom 1: phi = 0.269370772313 TCL: Center of mass = 29.9777305657 -0.619362269357 -3.10634101796 TCL: atom 1: phi = 0.268349994733 TCL: Center of mass = 29.981009135 -0.61938321529 -3.10650685756 TCL: atom 1: phi = 0.267547200158 TCL: Center of mass = 29.984289678 -0.619416426929 -3.10667267807 TCL: atom 1: phi = 0.266350734678 TCL: Center of mass = 29.9875518532 -0.619447709783 -3.1068517942 TCL: atom 1: phi = 0.265467512277 TCL: Center of mass = 29.9908059793 -0.619482652732 -3.10703900268 TCL: atom 1: phi = 0.264241279585 TCL: Center of mass = 29.9940654203 -0.619512196215 -3.1072175406 TCL: atom 1: phi = 0.263461871316 TIMING: 10700 CPU: 1832.08, 0.172354/step Wall: 2239.3, 0.211103/step, 0.54535 hours remaining, 21999 kB of memory in use. ENERGY: 10700 407.6027 673.0007 422.1276 48.4136 -2767.4422 -219.3693 0.0000 0.0000 1167.0297 -268.6370 318.0482 -259.6880 -260.5016 317.1294 770.5101 741.1605 64000.0000 521.6222 519.6409 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10700 WRITING COORDINATES TO DCD FILE AT STEP 10700 WRITING COORDINATES TO RESTART FILE AT STEP 10700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 29.9973348035 -0.619541816997 -3.10739105812 TCL: atom 1: phi = 0.262416623915 TCL: Center of mass = 30.0006012916 -0.619573217998 -3.10755755694 TCL: atom 1: phi = 0.261825008454 TCL: Center of mass = 30.0038590085 -0.619592799888 -3.10771283319 TCL: atom 1: phi = 0.261076605852 TCL: Center of mass = 30.0071158066 -0.619617718716 -3.10786701394 TCL: atom 1: phi = 0.260918226019 TCL: Center of mass = 30.010373375 -0.619649936321 -3.1080210005 TCL: atom 1: phi = 0.260699309442 TCL: Center of mass = 30.0136283222 -0.619673776893 -3.10817728498 TCL: atom 1: phi = 0.260963322502 TCL: Center of mass = 30.0168914162 -0.619692593007 -3.10832825715 TCL: atom 1: phi = 0.261059162979 TCL: Center of mass = 30.0201456095 -0.619714699619 -3.10847948307 TCL: atom 1: phi = 0.261578427788 TCL: Center of mass = 30.0233994128 -0.619739178732 -3.10862788889 TCL: atom 1: phi = 0.261826083701 TCL: Center of mass = 30.0266570002 -0.619757051938 -3.10878267096 TCL: atom 1: phi = 0.262350576449 TCL: Center of mass = 30.0299090576 -0.619776319995 -3.10894794367 TCL: atom 1: phi = 0.262425811502 TCL: Center of mass = 30.0331536364 -0.619796249669 -3.10911517186 TCL: atom 1: phi = 0.262753998379 TCL: Center of mass = 30.0364053428 -0.619812548476 -3.10927878277 TCL: atom 1: phi = 0.262583605349 TCL: Center of mass = 30.0396627717 -0.619824840601 -3.10944633116 TCL: atom 1: phi = 0.262702922431 TCL: Center of mass = 30.0429213416 -0.619845499763 -3.10962113992 TCL: atom 1: phi = 0.262423173941 TCL: Center of mass = 30.0461707609 -0.619870363911 -3.10978772011 TCL: atom 1: phi = 0.262483300435 TCL: Center of mass = 30.0494235169 -0.619898218964 -3.10995090245 TCL: atom 1: phi = 0.262175926436 TCL: Center of mass = 30.0526845686 -0.619931466715 -3.11011850204 TCL: atom 1: phi = 0.262329830741 TCL: Center of mass = 30.0559525893 -0.619973725 -3.11029047374 TCL: atom 1: phi = 0.262199794512 TCL: Center of mass = 30.0592089548 -0.620022136704 -3.11046593063 TCL: atom 1: phi = 0.262489277697 TCL: Center of mass = 30.0624624305 -0.620063715424 -3.11063901014 TCL: atom 1: phi = 0.262471259731 TCL: Center of mass = 30.0657097022 -0.620107673879 -3.11081802563 TCL: atom 1: phi = 0.262869470253 TCL: Center of mass = 30.0689458459 -0.620152153597 -3.11099678467 TCL: atom 1: phi = 0.263060631487 TCL: Center of mass = 30.0721777567 -0.620204993582 -3.11118168606 TCL: atom 1: phi = 0.263698265154 TCL: Center of mass = 30.0754165555 -0.620270575309 -3.11135810511 TCL: atom 1: phi = 0.264159649142 TCL: Center of mass = 30.0786647032 -0.6203264633 -3.11152419528 TCL: atom 1: phi = 0.264999918679 TCL: Center of mass = 30.0819181589 -0.620373460334 -3.11168111112 TCL: atom 1: phi = 0.265606276253 TCL: Center of mass = 30.085170774 -0.620415252467 -3.11184273475 TCL: atom 1: phi = 0.2664998684 TCL: Center of mass = 30.0884187873 -0.620443842925 -3.1120135744 TCL: atom 1: phi = 0.267003411488 TCL: Center of mass = 30.0916654162 -0.620470869952 -3.11218360038 TCL: atom 1: phi = 0.267697127566 TCL: Center of mass = 30.094907405 -0.620494873704 -3.1123387585 TCL: atom 1: phi = 0.26785887303 TCL: Center of mass = 30.0981446438 -0.620513495304 -3.11250417962 TCL: atom 1: phi = 0.268025841245 TCL: Center of mass = 30.1013771025 -0.620526514646 -3.11266037191 TCL: atom 1: phi = 0.267674364077 TCL: Center of mass = 30.1046068794 -0.620534989774 -3.11281372852 TCL: atom 1: phi = 0.267340127798 TCL: Center of mass = 30.1078315846 -0.620539186611 -3.11296527243 TCL: atom 1: phi = 0.266528838518 TCL: Center of mass = 30.1110551596 -0.620544895242 -3.11311652897 TCL: atom 1: phi = 0.265887003458 TCL: Center of mass = 30.1142687123 -0.620549862238 -3.11325460584 TCL: atom 1: phi = 0.264953356019 TCL: Center of mass = 30.1174916532 -0.620559477707 -3.11340278808 TCL: atom 1: phi = 0.26433487118 TCL: Center of mass = 30.1207226361 -0.620578723081 -3.11356139543 TCL: atom 1: phi = 0.263601597667 TCL: Center of mass = 30.123941339 -0.620599844602 -3.11372112112 TCL: atom 1: phi = 0.263200852918 TCL: Center of mass = 30.127154252 -0.620631970916 -3.11388062621 TCL: atom 1: phi = 0.262722341527 TCL: Center of mass = 30.1303678282 -0.62066293057 -3.11404913779 TCL: atom 1: phi = 0.262575678719 TCL: Center of mass = 30.1335831737 -0.620702069272 -3.11422955045 TCL: atom 1: phi = 0.262299196591 TCL: Center of mass = 30.1368077483 -0.62073636444 -3.11440388457 TCL: atom 1: phi = 0.262324552709 TCL: Center of mass = 30.1400334195 -0.620771592657 -3.11457403344 TCL: atom 1: phi = 0.262145523912 TCL: Center of mass = 30.1432552592 -0.620813029017 -3.11474857107 TCL: atom 1: phi = 0.262243232996 TCL: Center of mass = 30.146455348 -0.620851311957 -3.11491954459 TCL: atom 1: phi = 0.262185326127 TCL: Center of mass = 30.1496483543 -0.620894893379 -3.11507976599 TCL: atom 1: phi = 0.26237373597 TCL: Center of mass = 30.1528408909 -0.620940618683 -3.11524268722 TCL: atom 1: phi = 0.262318286313 TCL: Center of mass = 30.1560273249 -0.620998887372 -3.11540750232 TCL: atom 1: phi = 0.262385115049 TCL: Center of mass = 30.159202343 -0.621049974668 -3.1155799999 TCL: atom 1: phi = 0.262163648266 TCL: Center of mass = 30.1623841897 -0.621094844346 -3.11574668786 TCL: atom 1: phi = 0.261999648513 TCL: Center of mass = 30.1655591769 -0.621143075299 -3.11590805481 TCL: atom 1: phi = 0.261460555575 TCL: Center of mass = 30.1687281421 -0.621197503202 -3.11607400302 TCL: atom 1: phi = 0.260951042656 TCL: Center of mass = 30.1718875709 -0.621245700471 -3.11624406259 TCL: atom 1: phi = 0.26015610845 TCL: Center of mass = 30.1750518774 -0.621283434003 -3.11640578608 TCL: atom 1: phi = 0.259550453408 TCL: Center of mass = 30.1782039587 -0.621332370497 -3.11655261744 TCL: atom 1: phi = 0.25881512425 TCL: Center of mass = 30.1813493899 -0.621381705057 -3.11669994926 TCL: atom 1: phi = 0.258451340191 TCL: Center of mass = 30.1844916222 -0.621424926585 -3.11685661498 TCL: atom 1: phi = 0.25810648544 TCL: Center of mass = 30.1876298863 -0.621463127447 -3.11700404308 TCL: atom 1: phi = 0.25818473338 TCL: Center of mass = 30.1907611137 -0.621498995669 -3.11715364021 TCL: atom 1: phi = 0.258251873984 TCL: Center of mass = 30.1938950482 -0.621526358241 -3.11729741724 TCL: atom 1: phi = 0.258687669584 TCL: Center of mass = 30.1970326293 -0.621549222541 -3.11744324737 TCL: atom 1: phi = 0.259126543946 TCL: Center of mass = 30.2001694918 -0.621557296124 -3.1175844168 TCL: atom 1: phi = 0.259844217099 TCL: Center of mass = 30.2033015256 -0.621560739785 -3.1177353298 TCL: atom 1: phi = 0.260389832739 TCL: Center of mass = 30.2064345518 -0.62156189655 -3.11788337207 TCL: atom 1: phi = 0.261209226081 TCL: Center of mass = 30.209572082 -0.621559646511 -3.1180307136 TCL: atom 1: phi = 0.261908187903 TCL: Center of mass = 30.212713322 -0.621550204022 -3.11817741358 TCL: atom 1: phi = 0.262899607843 TCL: Center of mass = 30.2158493332 -0.621541305855 -3.11830772497 TCL: atom 1: phi = 0.263684265335 TCL: Center of mass = 30.2189918467 -0.621524514315 -3.11843224506 TCL: atom 1: phi = 0.264660262382 TCL: Center of mass = 30.2221331562 -0.621500266345 -3.11855559027 TCL: atom 1: phi = 0.265323362061 TCL: Center of mass = 30.225274216 -0.621475102371 -3.1186758269 TCL: atom 1: phi = 0.266027628953 TCL: Center of mass = 30.2284106076 -0.621448731921 -3.11878493359 TCL: atom 1: phi = 0.266255462011 TCL: Center of mass = 30.2315341376 -0.621423823745 -3.11890565533 TCL: atom 1: phi = 0.266405057117 TCL: Center of mass = 30.2346574532 -0.621388016581 -3.11903497228 TCL: atom 1: phi = 0.266140319435 TCL: Center of mass = 30.2377822652 -0.621349925248 -3.11916330525 TCL: atom 1: phi = 0.265981841209 TCL: Center of mass = 30.2408994729 -0.621315826161 -3.11930370783 TCL: atom 1: phi = 0.265587917098 TCL: Center of mass = 30.2440303002 -0.621279681078 -3.11944897727 TCL: atom 1: phi = 0.265499457037 TCL: Center of mass = 30.2471578524 -0.621233272126 -3.11958895452 TCL: atom 1: phi = 0.265391423836 TCL: Center of mass = 30.2502771867 -0.621182241532 -3.11973707524 TCL: atom 1: phi = 0.265730565743 TCL: Center of mass = 30.2534023802 -0.621133125735 -3.11989177167 TCL: atom 1: phi = 0.266094832605 TCL: Center of mass = 30.256529095 -0.621076233143 -3.12005161365 TCL: atom 1: phi = 0.266863979155 TCL: Center of mass = 30.2596419519 -0.621020541094 -3.12021363898 TCL: atom 1: phi = 0.267459045404 TCL: Center of mass = 30.2627499288 -0.620962656449 -3.12038489279 TCL: atom 1: phi = 0.268257122167 TCL: Center of mass = 30.2658395833 -0.62091003594 -3.12054724179 TCL: atom 1: phi = 0.268814988769 TCL: Center of mass = 30.2689440034 -0.620857400746 -3.12070613312 TCL: atom 1: phi = 0.269609313758 TCL: Center of mass = 30.2720412333 -0.620795226837 -3.12085985707 TCL: atom 1: phi = 0.270123196972 TCL: Center of mass = 30.275130328 -0.620733896755 -3.12100031346 TCL: atom 1: phi = 0.270918638567 TCL: Center of mass = 30.2782161355 -0.620673810785 -3.12115328638 TCL: atom 1: phi = 0.271544604966 TCL: Center of mass = 30.2813007736 -0.620633308001 -3.12130737503 TCL: atom 1: phi = 0.272462380258 TCL: Center of mass = 30.2843957104 -0.620582522934 -3.12146286425 TCL: atom 1: phi = 0.27307230841 TCL: Center of mass = 30.2874914385 -0.620527287393 -3.12161441102 TCL: atom 1: phi = 0.273823522191 TCL: Center of mass = 30.2905993526 -0.620476870774 -3.12175886332 TCL: atom 1: phi = 0.274043631293 TCL: Center of mass = 30.2936995423 -0.620419617739 -3.12190450422 TCL: atom 1: phi = 0.274259899771 TCL: Center of mass = 30.2968060587 -0.620357456747 -3.1220336542 TCL: atom 1: phi = 0.273974231902 TCL: Center of mass = 30.2999188499 -0.620296834654 -3.12216151016 TCL: atom 1: phi = 0.273805825864 TCL: Center of mass = 30.3030252508 -0.620230644677 -3.12229065363 TCL: atom 1: phi = 0.273245932453 TCL: Center of mass = 30.3061293594 -0.620163831543 -3.12241914271 TCL: atom 1: phi = 0.273005971027 TCL: Center of mass = 30.3092318216 -0.620100524934 -3.12255595856 TCL: atom 1: phi = 0.27260323364 TCL: Center of mass = 30.3123333285 -0.620033985085 -3.12268822234 TCL: atom 1: phi = 0.272624781544 TIMING: 10800 CPU: 1849.3, 0.172234/step Wall: 2260.39, 0.210893/step, 0.538948 hours remaining, 21999 kB of memory in use. ENERGY: 10800 405.0806 701.6064 425.8705 45.1734 -2768.2668 -245.9482 0.0000 0.0000 1151.7008 -284.7834 313.8707 -276.5477 -274.7653 315.3138 88.1939 372.4489 64000.0000 636.1509 638.2548 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10800 WRITING COORDINATES TO DCD FILE AT STEP 10800 WRITING COORDINATES TO RESTART FILE AT STEP 10800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 30.3154451407 -0.619965206293 -3.1228132733 TCL: atom 1: phi = 0.27259194241 TCL: Center of mass = 30.3185761336 -0.619890825658 -3.12293851294 TCL: atom 1: phi = 0.272970579733 TCL: Center of mass = 30.3217030083 -0.61981700444 -3.12306441439 TCL: atom 1: phi = 0.273115239843 TCL: Center of mass = 30.3248421302 -0.619738130562 -3.1231942211 TCL: atom 1: phi = 0.273448537023 TCL: Center of mass = 30.327983376 -0.619663707614 -3.12331924713 TCL: atom 1: phi = 0.273403101718 TCL: Center of mass = 30.3311109326 -0.619590119923 -3.12344721189 TCL: atom 1: phi = 0.273562897375 TCL: Center of mass = 30.3342262191 -0.619508239246 -3.12357859476 TCL: atom 1: phi = 0.273365811754 TCL: Center of mass = 30.3373394948 -0.61941444161 -3.12370136052 TCL: atom 1: phi = 0.27344646398 TCL: Center of mass = 30.3404429887 -0.619320248985 -3.12382032712 TCL: atom 1: phi = 0.273211014827 TCL: Center of mass = 30.3435446651 -0.619229964345 -3.12394096634 TCL: atom 1: phi = 0.27327542011 TCL: Center of mass = 30.3466441443 -0.619137006841 -3.1240432526 TCL: atom 1: phi = 0.272977284995 TCL: Center of mass = 30.3497340023 -0.619042229151 -3.12414446968 TCL: atom 1: phi = 0.272887405074 TCL: Center of mass = 30.3528272723 -0.61894647628 -3.12423717274 TCL: atom 1: phi = 0.272380542505 TCL: Center of mass = 30.3559152005 -0.618841678723 -3.12432784649 TCL: atom 1: phi = 0.271999686149 TCL: Center of mass = 30.3590006211 -0.618729007067 -3.12442109043 TCL: atom 1: phi = 0.271067686727 TCL: Center of mass = 30.3620877231 -0.61861816749 -3.12451662979 TCL: atom 1: phi = 0.270264148577 TCL: Center of mass = 30.3651553791 -0.618511170945 -3.12461642779 TCL: atom 1: phi = 0.269081287241 TCL: Center of mass = 30.3682208972 -0.618402652171 -3.12473459488 TCL: atom 1: phi = 0.268196038921 TCL: Center of mass = 30.371298466 -0.618287292949 -3.12485913529 TCL: atom 1: phi = 0.267067314083 TCL: Center of mass = 30.3743730506 -0.618172349919 -3.12499150181 TCL: atom 1: phi = 0.266376641325 TCL: Center of mass = 30.377449376 -0.61804974147 -3.12512530856 TCL: atom 1: phi = 0.265680670902 TCL: Center of mass = 30.3805293264 -0.617926861264 -3.12526018564 TCL: atom 1: phi = 0.265484079385 TCL: Center of mass = 30.3836163159 -0.617810627344 -3.12540239919 TCL: atom 1: phi = 0.265258095359 TCL: Center of mass = 30.386706295 -0.617688100541 -3.12554576795 TCL: atom 1: phi = 0.265326399464 TCL: Center of mass = 30.3897902371 -0.617562467586 -3.12570149117 TCL: atom 1: phi = 0.265082832829 TCL: Center of mass = 30.3928926748 -0.6174352364 -3.12585564124 TCL: atom 1: phi = 0.265048330191 TCL: Center of mass = 30.3959927006 -0.617290757203 -3.12599802818 TCL: atom 1: phi = 0.264665816845 TCL: Center of mass = 30.3990965893 -0.617154047688 -3.12612540078 TCL: atom 1: phi = 0.264539288644 TCL: Center of mass = 30.4022006505 -0.617017377824 -3.12624247465 TCL: atom 1: phi = 0.264132040177 TCL: Center of mass = 30.4053007088 -0.61688656029 -3.12635497683 TCL: atom 1: phi = 0.26402228249 TCL: Center of mass = 30.4084055959 -0.61674392228 -3.12646657026 TCL: atom 1: phi = 0.263723406092 TCL: Center of mass = 30.4115211107 -0.616586235653 -3.12656957821 TCL: atom 1: phi = 0.263746241193 TCL: Center of mass = 30.4146414661 -0.616428311081 -3.12668212029 TCL: atom 1: phi = 0.263446452231 TCL: Center of mass = 30.4177601837 -0.616282237575 -3.12680391873 TCL: atom 1: phi = 0.263313791674 TCL: Center of mass = 30.4208801604 -0.616135668787 -3.12692130439 TCL: atom 1: phi = 0.262791422485 TCL: Center of mass = 30.4239821245 -0.615987128686 -3.12704115856 TCL: atom 1: phi = 0.262465644964 TCL: Center of mass = 30.4270773442 -0.615836785319 -3.12716058871 TCL: atom 1: phi = 0.261774409231 TCL: Center of mass = 30.4301796315 -0.615699562435 -3.12727270815 TCL: atom 1: phi = 0.261443329553 TCL: Center of mass = 30.4332933078 -0.615572305603 -3.12739015656 TCL: atom 1: phi = 0.260998895778 TCL: Center of mass = 30.4364113146 -0.615443705542 -3.12750061357 TCL: atom 1: phi = 0.261123661642 TCL: Center of mass = 30.439530936 -0.615321769383 -3.1276096963 TCL: atom 1: phi = 0.26122876862 TCL: Center of mass = 30.4426352626 -0.615203915099 -3.12772498931 TCL: atom 1: phi = 0.261876422973 TCL: Center of mass = 30.445741784 -0.615088188087 -3.12784216108 TCL: atom 1: phi = 0.262402323484 TCL: Center of mass = 30.4488539959 -0.614970206141 -3.12796258447 TCL: atom 1: phi = 0.263338513049 TCL: Center of mass = 30.4519637734 -0.61485047298 -3.12806932855 TCL: atom 1: phi = 0.263974264754 TCL: Center of mass = 30.4550745499 -0.614731829725 -3.12816842751 TCL: atom 1: phi = 0.264840907794 TCL: Center of mass = 30.4581868409 -0.614610550831 -3.1282704814 TCL: atom 1: phi = 0.265301113812 TCL: Center of mass = 30.4612839063 -0.614494389719 -3.12837794452 TCL: atom 1: phi = 0.266026735549 TCL: Center of mass = 30.4643786603 -0.614370931744 -3.12848220624 TCL: atom 1: phi = 0.266437177896 TCL: Center of mass = 30.4674805289 -0.614250343871 -3.12859528514 TCL: atom 1: phi = 0.267167623173 TCL: Center of mass = 30.4705803948 -0.614133467392 -3.12869448733 TCL: atom 1: phi = 0.267663394633 TCL: Center of mass = 30.473671918 -0.614026130634 -3.12879923771 TCL: atom 1: phi = 0.268490701854 TCL: Center of mass = 30.4767625023 -0.613918039044 -3.12890304286 TCL: atom 1: phi = 0.268968298672 TCL: Center of mass = 30.4798564477 -0.613810527962 -3.1290177182 TCL: atom 1: phi = 0.26962021918 TCL: Center of mass = 30.4829478057 -0.613718547995 -3.12913541025 TCL: atom 1: phi = 0.269823992195 TCL: Center of mass = 30.4860324846 -0.613630040668 -3.12925448026 TCL: atom 1: phi = 0.270170203974 TCL: Center of mass = 30.489120333 -0.613538904401 -3.1293573182 TCL: atom 1: phi = 0.270157178041 TCL: Center of mass = 30.492213478 -0.61345835897 -3.12946515166 TCL: atom 1: phi = 0.2704387532 TCL: Center of mass = 30.4953117783 -0.613382456048 -3.12957722746 TCL: atom 1: phi = 0.27052449624 TCL: Center of mass = 30.4983986442 -0.613306914123 -3.12969081033 TCL: atom 1: phi = 0.271045943434 TCL: Center of mass = 30.5014886823 -0.613218101011 -3.12980030475 TCL: atom 1: phi = 0.271486798747 TCL: Center of mass = 30.5045800008 -0.613120545794 -3.12989934602 TCL: atom 1: phi = 0.272405099698 TCL: Center of mass = 30.5076681948 -0.613010142113 -3.12999774441 TCL: atom 1: phi = 0.273140060957 TCL: Center of mass = 30.5107614826 -0.612905202254 -3.13009476058 TCL: atom 1: phi = 0.274127196321 TCL: Center of mass = 30.5138466894 -0.612806930345 -3.13017842409 TCL: atom 1: phi = 0.274769768761 TCL: Center of mass = 30.5169405026 -0.61272140329 -3.13025828243 TCL: atom 1: phi = 0.275498057721 TCL: Center of mass = 30.5200374863 -0.612634148848 -3.13032815797 TCL: atom 1: phi = 0.27579649191 TCL: Center of mass = 30.5231396239 -0.612547590372 -3.13038962678 TCL: atom 1: phi = 0.276225561108 TCL: Center of mass = 30.5262290375 -0.612455590936 -3.13045587139 TCL: atom 1: phi = 0.276194158107 TCL: Center of mass = 30.5293138999 -0.612360822449 -3.13051335758 TCL: atom 1: phi = 0.27627064071 TCL: Center of mass = 30.532410703 -0.612269578909 -3.13057926747 TCL: atom 1: phi = 0.275975995189 TCL: Center of mass = 30.5355013463 -0.612183058996 -3.13064352968 TCL: atom 1: phi = 0.275854008819 TCL: Center of mass = 30.5385850936 -0.612103352548 -3.13069442141 TCL: atom 1: phi = 0.275332379932 TCL: Center of mass = 30.5416604889 -0.612027860392 -3.13074222855 TCL: atom 1: phi = 0.274914864508 TCL: Center of mass = 30.5447386307 -0.611963100361 -3.13078649322 TCL: atom 1: phi = 0.274107895856 TCL: Center of mass = 30.5478253462 -0.61189205278 -3.13083311864 TCL: atom 1: phi = 0.273418450762 TCL: Center of mass = 30.550912797 -0.611823178192 -3.13086893629 TCL: atom 1: phi = 0.272300302082 TCL: Center of mass = 30.5540214106 -0.611754471968 -3.13090675546 TCL: atom 1: phi = 0.271357547146 TCL: Center of mass = 30.5571195834 -0.611688245465 -3.13094222046 TCL: atom 1: phi = 0.270305549501 TCL: Center of mass = 30.5602100105 -0.611608758723 -3.13098180286 TCL: atom 1: phi = 0.269604887619 TCL: Center of mass = 30.5632975045 -0.611527221194 -3.13101033383 TCL: atom 1: phi = 0.268843238722 TCL: Center of mass = 30.5663920087 -0.611455673966 -3.13103810716 TCL: atom 1: phi = 0.268523648594 TCL: Center of mass = 30.5694840144 -0.611382996961 -3.1310636823 TCL: atom 1: phi = 0.268145108612 TCL: Center of mass = 30.5725661831 -0.61131115852 -3.13109006926 TCL: atom 1: phi = 0.268060443059 TCL: Center of mass = 30.57564784 -0.611241533536 -3.13111238075 TCL: atom 1: phi = 0.267791841304 TCL: Center of mass = 30.5787234487 -0.611178661413 -3.13114163323 TCL: atom 1: phi = 0.267757222664 TCL: Center of mass = 30.5818047182 -0.611110801002 -3.13117255158 TCL: atom 1: phi = 0.267491844725 TCL: Center of mass = 30.5848936445 -0.611051536521 -3.13120097276 TCL: atom 1: phi = 0.267477507952 TCL: Center of mass = 30.5879843928 -0.611001411527 -3.13123118548 TCL: atom 1: phi = 0.267252696719 TCL: Center of mass = 30.5910719007 -0.610946352841 -3.13126723757 TCL: atom 1: phi = 0.267262159199 TCL: Center of mass = 30.5941608958 -0.610901291807 -3.1313097566 TCL: atom 1: phi = 0.267151003611 TCL: Center of mass = 30.597249744 -0.610863749584 -3.13135809043 TCL: atom 1: phi = 0.26735549312 TCL: Center of mass = 30.600338203 -0.61082540575 -3.13140095339 TCL: atom 1: phi = 0.267412358726 TCL: Center of mass = 30.6034292922 -0.6107780806 -3.13143773066 TCL: atom 1: phi = 0.267671382684 TCL: Center of mass = 30.6065296949 -0.610741525745 -3.1314708639 TCL: atom 1: phi = 0.267665642599 TCL: Center of mass = 30.6096293192 -0.610710190501 -3.13150210153 TCL: atom 1: phi = 0.267813856297 TCL: Center of mass = 30.6127290521 -0.610672977114 -3.13152956577 TCL: atom 1: phi = 0.267669992102 TCL: Center of mass = 30.615817991 -0.61062443875 -3.13155518017 TCL: atom 1: phi = 0.267681039851 TCL: Center of mass = 30.6189212133 -0.610584385241 -3.13158879683 TCL: atom 1: phi = 0.267504230864 TCL: Center of mass = 30.6220207206 -0.6105469219 -3.13162302936 TCL: atom 1: phi = 0.267580597426 TIMING: 10900 CPU: 1866.53, 0.172314/step Wall: 2281.49, 0.211001/step, 0.533364 hours remaining, 21999 kB of memory in use. ENERGY: 10900 403.7141 713.6477 413.0420 37.4357 -2772.0670 -221.5782 0.0000 0.0000 1143.1520 -282.6537 311.5409 -274.3010 -273.3637 313.1150 255.2439 431.5064 64000.0000 632.7542 631.9296 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10900 WRITING COORDINATES TO DCD FILE AT STEP 10900 WRITING COORDINATES TO RESTART FILE AT STEP 10900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 10900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 30.6251147279 -0.610504190542 -3.1316566881 TCL: atom 1: phi = 0.267532861888 TCL: Center of mass = 30.6282040496 -0.610454155013 -3.13167771422 TCL: atom 1: phi = 0.267884731087 TCL: Center of mass = 30.6312932595 -0.610409563784 -3.1317027222 TCL: atom 1: phi = 0.268182528146 TCL: Center of mass = 30.6343875128 -0.6103653403 -3.1317383537 TCL: atom 1: phi = 0.268810535298 TCL: Center of mass = 30.6374823328 -0.610316961638 -3.13177836514 TCL: atom 1: phi = 0.269232869113 TCL: Center of mass = 30.6405702592 -0.610266528535 -3.13181791076 TCL: atom 1: phi = 0.269856758014 TCL: Center of mass = 30.6436601337 -0.610222158375 -3.13185999217 TCL: atom 1: phi = 0.270208288972 TCL: Center of mass = 30.6467505263 -0.610185047526 -3.13191144862 TCL: atom 1: phi = 0.270768083325 TCL: Center of mass = 30.6498494996 -0.610137527054 -3.13194809422 TCL: atom 1: phi = 0.271172250332 TCL: Center of mass = 30.6529499059 -0.610082586035 -3.13198964591 TCL: atom 1: phi = 0.271867331731 TCL: Center of mass = 30.6560579201 -0.61002536002 -3.13202235684 TCL: atom 1: phi = 0.272466821601 TCL: Center of mass = 30.6591586539 -0.60996881703 -3.13205243571 TCL: atom 1: phi = 0.273406825231 TCL: Center of mass = 30.6622503318 -0.60992884963 -3.13208274589 TCL: atom 1: phi = 0.274213274557 TCL: Center of mass = 30.6653447775 -0.609895851343 -3.13211771583 TCL: atom 1: phi = 0.275319798291 TCL: Center of mass = 30.6684411223 -0.609864739987 -3.13215718877 TCL: atom 1: phi = 0.276199778166 TCL: Center of mass = 30.6715424673 -0.609843025361 -3.13219745155 TCL: atom 1: phi = 0.277402341355 TCL: Center of mass = 30.6746449822 -0.609819133588 -3.13223141662 TCL: atom 1: phi = 0.27839760199 TCL: Center of mass = 30.6777508964 -0.609787899591 -3.13227889094 TCL: atom 1: phi = 0.279809050807 TCL: Center of mass = 30.6808565081 -0.609746331964 -3.1323172192 TCL: atom 1: phi = 0.281048672577 TCL: Center of mass = 30.6839712774 -0.609711241714 -3.13233703103 TCL: atom 1: phi = 0.282633896979 TCL: Center of mass = 30.6870918527 -0.609669940495 -3.13236021771 TCL: atom 1: phi = 0.284039259638 TCL: Center of mass = 30.6902227589 -0.609631903234 -3.13239837512 TCL: atom 1: phi = 0.285839513944 TCL: Center of mass = 30.6933438758 -0.609591323151 -3.1324454331 TCL: atom 1: phi = 0.287377981145 TCL: Center of mass = 30.6964710744 -0.609547428928 -3.13249737127 TCL: atom 1: phi = 0.289209566939 TCL: Center of mass = 30.6995949181 -0.609490179819 -3.13253523739 TCL: atom 1: phi = 0.290657625335 TCL: Center of mass = 30.7027140575 -0.609427843363 -3.13256292548 TCL: atom 1: phi = 0.292265673298 TCL: Center of mass = 30.7058336499 -0.609361745762 -3.13259183666 TCL: atom 1: phi = 0.293270726827 TCL: Center of mass = 30.7089630455 -0.609278299986 -3.132624657 TCL: atom 1: phi = 0.294345238294 TCL: Center of mass = 30.7120899625 -0.609189218699 -3.13265972644 TCL: atom 1: phi = 0.294772502333 TCL: Center of mass = 30.7152197207 -0.609117681327 -3.13267858988 TCL: atom 1: phi = 0.295329667512 TCL: Center of mass = 30.7183553563 -0.609051653486 -3.13268744838 TCL: atom 1: phi = 0.295304859145 TCL: Center of mass = 30.7214948285 -0.608981962103 -3.13269046319 TCL: atom 1: phi = 0.295482980712 TCL: Center of mass = 30.7246320836 -0.608903169481 -3.13268879437 TCL: atom 1: phi = 0.295103959589 TCL: Center of mass = 30.7277721431 -0.608827618628 -3.13268096693 TCL: atom 1: phi = 0.295032440261 TCL: Center of mass = 30.7309133475 -0.608733884021 -3.13266480305 TCL: atom 1: phi = 0.294493981541 TCL: Center of mass = 30.73406651 -0.608646050092 -3.13264151478 TCL: atom 1: phi = 0.294239910084 TCL: Center of mass = 30.7372395834 -0.608558816441 -3.13262001806 TCL: atom 1: phi = 0.293588392295 TCL: Center of mass = 30.740409618 -0.608472170511 -3.13259343402 TCL: atom 1: phi = 0.293240335328 TCL: Center of mass = 30.7435833477 -0.608371170398 -3.13257842378 TCL: atom 1: phi = 0.292594423606 TCL: Center of mass = 30.7467612482 -0.608271323542 -3.13255734537 TCL: atom 1: phi = 0.292370460605 TCL: Center of mass = 30.7499439178 -0.608169913824 -3.1325278446 TCL: atom 1: phi = 0.2919452556 TCL: Center of mass = 30.753118967 -0.608067490459 -3.13248334693 TCL: atom 1: phi = 0.291960495004 TCL: Center of mass = 30.7563020366 -0.607967901581 -3.13243910532 TCL: atom 1: phi = 0.291800737517 TCL: Center of mass = 30.7594827219 -0.607873980034 -3.13240258548 TCL: atom 1: phi = 0.292022439036 TCL: Center of mass = 30.7626559847 -0.607771537944 -3.1323647583 TCL: atom 1: phi = 0.292043101186 TCL: Center of mass = 30.7658296845 -0.607667445011 -3.13232636979 TCL: atom 1: phi = 0.292366277442 TCL: Center of mass = 30.7690089149 -0.607557024822 -3.13227764175 TCL: atom 1: phi = 0.292448353806 TCL: Center of mass = 30.7721744279 -0.607444906919 -3.13223120542 TCL: atom 1: phi = 0.292831093556 TCL: Center of mass = 30.7753408784 -0.607329049153 -3.13217270747 TCL: atom 1: phi = 0.292942829816 TCL: Center of mass = 30.7784979766 -0.607223257466 -3.13210576747 TCL: atom 1: phi = 0.293345643776 TCL: Center of mass = 30.7816520311 -0.607119960295 -3.13204168434 TCL: atom 1: phi = 0.293537197648 TCL: Center of mass = 30.784813485 -0.607020529754 -3.13197024795 TCL: atom 1: phi = 0.294044363782 TCL: Center of mass = 30.7879821892 -0.606914576568 -3.13189496926 TCL: atom 1: phi = 0.294331210856 TCL: Center of mass = 30.7911564467 -0.606813501633 -3.13181295135 TCL: atom 1: phi = 0.295000100214 TCL: Center of mass = 30.79434053 -0.606715633108 -3.13172134509 TCL: atom 1: phi = 0.29547783286 TCL: Center of mass = 30.7975250882 -0.606612517352 -3.13163257991 TCL: atom 1: phi = 0.296278073254 TCL: Center of mass = 30.8007192999 -0.606507154786 -3.13154299877 TCL: atom 1: phi = 0.296914414798 TCL: Center of mass = 30.8039186624 -0.606399395737 -3.13143990893 TCL: atom 1: phi = 0.297869952796 TCL: Center of mass = 30.807122439 -0.606295139448 -3.13134325285 TCL: atom 1: phi = 0.298682398991 TCL: Center of mass = 30.8103149376 -0.606192068108 -3.13124854749 TCL: atom 1: phi = 0.299858458702 TCL: Center of mass = 30.8135000576 -0.606081813038 -3.13114058129 TCL: atom 1: phi = 0.300926184221 TCL: Center of mass = 30.8166795785 -0.605965636475 -3.13103669078 TCL: atom 1: phi = 0.302326700351 TCL: Center of mass = 30.8198526933 -0.605864506384 -3.13092718547 TCL: atom 1: phi = 0.3035533203 TCL: Center of mass = 30.8230250737 -0.605779250622 -3.13081732527 TCL: atom 1: phi = 0.305053382434 TCL: Center of mass = 30.826194042 -0.605691407059 -3.13069732743 TCL: atom 1: phi = 0.306158523481 TCL: Center of mass = 30.8293591448 -0.605600154675 -3.13058320874 TCL: atom 1: phi = 0.307395620227 TCL: Center of mass = 30.8325205197 -0.605499377866 -3.13047163829 TCL: atom 1: phi = 0.308229077367 TCL: Center of mass = 30.8356907152 -0.605407384957 -3.13036565675 TCL: atom 1: phi = 0.309101841234 TCL: Center of mass = 30.8388563978 -0.605325980958 -3.13026449947 TCL: atom 1: phi = 0.309578156593 TCL: Center of mass = 30.842018814 -0.605245568989 -3.13017710456 TCL: atom 1: phi = 0.310171781956 TCL: Center of mass = 30.8451864358 -0.605169595209 -3.13008469627 TCL: atom 1: phi = 0.31043083548 TCL: Center of mass = 30.8483578026 -0.605093172359 -3.12999720438 TCL: atom 1: phi = 0.310911567837 TCL: Center of mass = 30.8515370359 -0.60501431372 -3.12990972173 TCL: atom 1: phi = 0.311127459238 TCL: Center of mass = 30.8547254229 -0.604931106454 -3.12981384035 TCL: atom 1: phi = 0.311606141199 TCL: Center of mass = 30.8579070504 -0.60484679721 -3.12971486417 TCL: atom 1: phi = 0.311903008568 TCL: Center of mass = 30.8610860418 -0.604764299406 -3.12962201252 TCL: atom 1: phi = 0.312454983285 TCL: Center of mass = 30.8642650588 -0.604689945372 -3.12952565552 TCL: atom 1: phi = 0.31271068554 TCL: Center of mass = 30.8674486003 -0.604613930651 -3.12943475392 TCL: atom 1: phi = 0.313305173265 TCL: Center of mass = 30.8706340011 -0.604540728575 -3.12935571076 TCL: atom 1: phi = 0.313725669014 TCL: Center of mass = 30.8738250054 -0.604480424048 -3.12928419627 TCL: atom 1: phi = 0.3144904013 TCL: Center of mass = 30.8770099914 -0.604414691044 -3.12921028687 TCL: atom 1: phi = 0.315189954907 TCL: Center of mass = 30.8802056023 -0.604355665385 -3.12912209674 TCL: atom 1: phi = 0.316223491459 TCL: Center of mass = 30.883404371 -0.604289983577 -3.1290306659 TCL: atom 1: phi = 0.317003024643 TCL: Center of mass = 30.886595118 -0.604224173045 -3.12893341807 TCL: atom 1: phi = 0.318098756059 TCL: Center of mass = 30.8897866657 -0.60416307677 -3.12883421966 TCL: atom 1: phi = 0.318923240487 TCL: Center of mass = 30.8929760719 -0.604097841549 -3.12873642639 TCL: atom 1: phi = 0.31994277994 TCL: Center of mass = 30.8961665245 -0.604035760775 -3.12862400777 TCL: atom 1: phi = 0.320639560005 TCL: Center of mass = 30.8993555803 -0.603973475818 -3.12850734003 TCL: atom 1: phi = 0.321520826715 TCL: Center of mass = 30.9025429546 -0.603906688394 -3.12838724207 TCL: atom 1: phi = 0.322089202807 TCL: Center of mass = 30.9057135771 -0.603830138831 -3.12827515429 TCL: atom 1: phi = 0.322839867235 TCL: Center of mass = 30.9088750359 -0.603749308048 -3.12815030955 TCL: atom 1: phi = 0.32335071135 TCL: Center of mass = 30.9120173686 -0.603671604369 -3.12803583336 TCL: atom 1: phi = 0.324035931319 TCL: Center of mass = 30.9151625146 -0.603597671811 -3.12791189528 TCL: atom 1: phi = 0.324345873958 TCL: Center of mass = 30.918314058 -0.603513026947 -3.12778421804 TCL: atom 1: phi = 0.324799256889 TCL: Center of mass = 30.9214747922 -0.603429612225 -3.12765658854 TCL: atom 1: phi = 0.324881695769 TCL: Center of mass = 30.9246346837 -0.603344804363 -3.12752928091 TCL: atom 1: phi = 0.32506427922 TCL: Center of mass = 30.9278020484 -0.603261839194 -3.12739940775 TCL: atom 1: phi = 0.32486629484 TCL: Center of mass = 30.9309786071 -0.603175397621 -3.12725525589 TCL: atom 1: phi = 0.324828192873 TCL: Center of mass = 30.9341551313 -0.603092686956 -3.12710832794 TCL: atom 1: phi = 0.324427564642 TCL: Center of mass = 30.9373158767 -0.603021141263 -3.12696037894 TCL: atom 1: phi = 0.324227097741 TIMING: 11000 CPU: 1883.76, 0.172314/step Wall: 2302.52, 0.210318/step, 0.525795 hours remaining, 21999 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 11000 402.3988 721.6311 404.8713 55.4633 -2774.7161 -202.9042 0.0000 0.0000 1112.3425 -280.9133 303.1444 -272.2396 -271.9685 312.8308 923.0474 992.9834 64000.0000 1105.0200 1100.3798 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11000 WRITING COORDINATES TO DCD FILE AT STEP 11000 WRITING COORDINATES TO RESTART FILE AT STEP 11000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 30.9404739143 -0.602958856836 -3.12680152348 TCL: atom 1: phi = 0.323701638105 TCL: Center of mass = 30.9436308928 -0.602900068832 -3.12663485906 TCL: atom 1: phi = 0.323316317965 TCL: Center of mass = 30.9467895095 -0.602839745591 -3.12646259433 TCL: atom 1: phi = 0.322654903141 TCL: Center of mass = 30.9499526254 -0.602783321814 -3.12628339444 TCL: atom 1: phi = 0.32219824727 TCL: Center of mass = 30.953116385 -0.602739359941 -3.12610231938 TCL: atom 1: phi = 0.321381623681 TCL: Center of mass = 30.956275655 -0.602696648946 -3.12593630306 TCL: atom 1: phi = 0.320605438098 TCL: Center of mass = 30.9594245857 -0.602649831852 -3.12577329814 TCL: atom 1: phi = 0.319469077564 TCL: Center of mass = 30.9625675514 -0.602612703848 -3.12562437892 TCL: atom 1: phi = 0.318434709933 TCL: Center of mass = 30.9657212411 -0.602582716804 -3.12548097037 TCL: atom 1: phi = 0.31709203079 TCL: Center of mass = 30.968869064 -0.602552948099 -3.12534325317 TCL: atom 1: phi = 0.315876595138 TCL: Center of mass = 30.9720143068 -0.602522327431 -3.12520607035 TCL: atom 1: phi = 0.314495231925 TCL: Center of mass = 30.9751667825 -0.602490487064 -3.12506270268 TCL: atom 1: phi = 0.313328576725 TCL: Center of mass = 30.9783130021 -0.602450633468 -3.12492559785 TCL: atom 1: phi = 0.312029533145 TCL: Center of mass = 30.9814493692 -0.602405914991 -3.12478696578 TCL: atom 1: phi = 0.310996956022 TCL: Center of mass = 30.984582875 -0.602357340431 -3.1246720428 TCL: atom 1: phi = 0.309834982511 TCL: Center of mass = 30.9877050827 -0.602315959106 -3.12455195252 TCL: atom 1: phi = 0.308960157476 TCL: Center of mass = 30.9908418737 -0.60228511792 -3.12442205645 TCL: atom 1: phi = 0.308021876368 TCL: Center of mass = 30.9939914896 -0.602251932369 -3.12429778071 TCL: atom 1: phi = 0.307451024561 TCL: Center of mass = 30.9971431665 -0.602236176453 -3.12416631291 TCL: atom 1: phi = 0.307035300801 TCL: Center of mass = 31.000292672 -0.602228560301 -3.12404963859 TCL: atom 1: phi = 0.307055710131 TCL: Center of mass = 31.003435228 -0.60222070584 -3.12393392441 TCL: atom 1: phi = 0.307244293998 TCL: Center of mass = 31.0065760364 -0.602207575026 -3.12382395134 TCL: atom 1: phi = 0.307863558795 TCL: Center of mass = 31.0097234802 -0.602189414159 -3.12373243193 TCL: atom 1: phi = 0.308600819196 TCL: Center of mass = 31.0128683661 -0.602156670295 -3.12363649992 TCL: atom 1: phi = 0.309693914337 TCL: Center of mass = 31.0160058928 -0.602131127817 -3.12354381483 TCL: atom 1: phi = 0.310803914163 TCL: Center of mass = 31.0191466528 -0.602113458379 -3.12344559997 TCL: atom 1: phi = 0.312136894343 TCL: Center of mass = 31.022290967 -0.602092005596 -3.12335545534 TCL: atom 1: phi = 0.313346765701 TCL: Center of mass = 31.0254365724 -0.602070993295 -3.12326394408 TCL: atom 1: phi = 0.314782607671 TCL: Center of mass = 31.028593027 -0.602049852221 -3.12317982633 TCL: atom 1: phi = 0.316048533732 TCL: Center of mass = 31.031732978 -0.602035606898 -3.1230929579 TCL: atom 1: phi = 0.317528310834 TCL: Center of mass = 31.0348745355 -0.602022713318 -3.12299775034 TCL: atom 1: phi = 0.318837833215 TCL: Center of mass = 31.0380065322 -0.601996430367 -3.12291197596 TCL: atom 1: phi = 0.320305670323 TCL: Center of mass = 31.0411463609 -0.601974344349 -3.12283702888 TCL: atom 1: phi = 0.321535833139 TCL: Center of mass = 31.0442932493 -0.601946176452 -3.12276234993 TCL: atom 1: phi = 0.322933129617 TCL: Center of mass = 31.0474257587 -0.60191449983 -3.1226946128 TCL: atom 1: phi = 0.324001238954 TCL: Center of mass = 31.0505499735 -0.601885423468 -3.12263288985 TCL: atom 1: phi = 0.325127357277 TCL: Center of mass = 31.0536727087 -0.601851307776 -3.12257237111 TCL: atom 1: phi = 0.325923133315 TCL: Center of mass = 31.0568000263 -0.601800195993 -3.12251569538 TCL: atom 1: phi = 0.326896998694 TCL: Center of mass = 31.0599328758 -0.601746606362 -3.1224568969 TCL: atom 1: phi = 0.327621324572 TCL: Center of mass = 31.0630606909 -0.601679885119 -3.12239201761 TCL: atom 1: phi = 0.328457708573 TCL: Center of mass = 31.0661962752 -0.60161258819 -3.12233172092 TCL: atom 1: phi = 0.328956500449 TCL: Center of mass = 31.0693241782 -0.601547166904 -3.12226937945 TCL: atom 1: phi = 0.329568683328 TCL: Center of mass = 31.0724338486 -0.601477328594 -3.12221424221 TCL: atom 1: phi = 0.329770222882 TCL: Center of mass = 31.0755423724 -0.601415859096 -3.12214630846 TCL: atom 1: phi = 0.330010536483 TCL: Center of mass = 31.0786476178 -0.601360332939 -3.12207554537 TCL: atom 1: phi = 0.32979774154 TCL: Center of mass = 31.0817612352 -0.601294673634 -3.12201201341 TCL: atom 1: phi = 0.329583550192 TCL: Center of mass = 31.0848760361 -0.601225428395 -3.1219525007 TCL: atom 1: phi = 0.328909842491 TCL: Center of mass = 31.0879814226 -0.601152249913 -3.12190153684 TCL: atom 1: phi = 0.328232645997 TCL: Center of mass = 31.0910878928 -0.601075976716 -3.12184255869 TCL: atom 1: phi = 0.32715596695 TCL: Center of mass = 31.0941960282 -0.601006556582 -3.12179365591 TCL: atom 1: phi = 0.326113702001 TCL: Center of mass = 31.0973104501 -0.600946925025 -3.12174901117 TCL: atom 1: phi = 0.324789679947 TCL: Center of mass = 31.1004185163 -0.600886486698 -3.12170276757 TCL: atom 1: phi = 0.323630740957 TCL: Center of mass = 31.1035236747 -0.600831997565 -3.12165416762 TCL: atom 1: phi = 0.322202233539 TCL: Center of mass = 31.1066314667 -0.600781423286 -3.12159391353 TCL: atom 1: phi = 0.320831178409 TCL: Center of mass = 31.10974171 -0.600741709835 -3.12153554304 TCL: atom 1: phi = 0.319181826867 TCL: Center of mass = 31.1128494799 -0.600698889943 -3.12148131406 TCL: atom 1: phi = 0.317634970371 TCL: Center of mass = 31.1159639549 -0.600663565482 -3.12141114798 TCL: atom 1: phi = 0.315911705227 TCL: Center of mass = 31.1190867926 -0.600621472698 -3.12134319778 TCL: atom 1: phi = 0.314499084971 TCL: Center of mass = 31.1222059823 -0.600571655164 -3.12128217688 TCL: atom 1: phi = 0.313070105112 TCL: Center of mass = 31.1253392734 -0.600512168479 -3.12121794615 TCL: atom 1: phi = 0.312029784056 TCL: Center of mass = 31.1284668302 -0.600453956538 -3.12115091253 TCL: atom 1: phi = 0.311142605056 TCL: Center of mass = 31.1315965367 -0.600396560474 -3.1210740016 TCL: atom 1: phi = 0.310577247601 TCL: Center of mass = 31.1347260159 -0.600347442534 -3.12099299491 TCL: atom 1: phi = 0.309986415473 TCL: Center of mass = 31.1378505184 -0.600293135762 -3.120908634 TCL: atom 1: phi = 0.309654549888 TCL: Center of mass = 31.1409762643 -0.60024433662 -3.12081192724 TCL: atom 1: phi = 0.309189894773 TCL: Center of mass = 31.1440920277 -0.600195888788 -3.12071502735 TCL: atom 1: phi = 0.308921846479 TCL: Center of mass = 31.147202645 -0.600152162482 -3.12061230512 TCL: atom 1: phi = 0.308561522232 TCL: Center of mass = 31.1503066026 -0.600106955861 -3.12051262485 TCL: atom 1: phi = 0.308403446342 TCL: Center of mass = 31.1533956807 -0.600062726474 -3.12041475735 TCL: atom 1: phi = 0.308182144246 TCL: Center of mass = 31.1564892165 -0.600020313618 -3.12031691038 TCL: atom 1: phi = 0.308278222992 TCL: Center of mass = 31.159583325 -0.599973006816 -3.12021439318 TCL: atom 1: phi = 0.308293583178 TCL: Center of mass = 31.1626765077 -0.59991760928 -3.12012054391 TCL: atom 1: phi = 0.308472450945 TCL: Center of mass = 31.1657660247 -0.599869199214 -3.12002021083 TCL: atom 1: phi = 0.308508695878 TCL: Center of mass = 31.1688570152 -0.599810022161 -3.11991416083 TCL: atom 1: phi = 0.308661322754 TCL: Center of mass = 31.1719486962 -0.599743019477 -3.11982093422 TCL: atom 1: phi = 0.308618335051 TCL: Center of mass = 31.1750452793 -0.59966997171 -3.11973357403 TCL: atom 1: phi = 0.308564782209 TCL: Center of mass = 31.1781341974 -0.599615799945 -3.11964969445 TCL: atom 1: phi = 0.30825265146 TCL: Center of mass = 31.1812229822 -0.59956134649 -3.11955684201 TCL: atom 1: phi = 0.308067975704 TCL: Center of mass = 31.184318828 -0.599524096305 -3.11947307979 TCL: atom 1: phi = 0.307741463895 TCL: Center of mass = 31.1873973443 -0.599495464016 -3.11938439504 TCL: atom 1: phi = 0.307578751514 TCL: Center of mass = 31.1904767905 -0.599472092986 -3.11930320324 TCL: atom 1: phi = 0.30733036241 TCL: Center of mass = 31.1935638149 -0.599452895496 -3.11922143191 TCL: atom 1: phi = 0.307346206434 TCL: Center of mass = 31.1966553098 -0.599412585667 -3.11914488971 TCL: atom 1: phi = 0.307241040716 TCL: Center of mass = 31.1997636229 -0.599377441484 -3.11906669427 TCL: atom 1: phi = 0.307338872673 TCL: Center of mass = 31.2028769796 -0.599333053583 -3.11899983398 TCL: atom 1: phi = 0.307207227732 TCL: Center of mass = 31.2059923316 -0.599280163496 -3.11892984454 TCL: atom 1: phi = 0.307198513757 TCL: Center of mass = 31.2091247649 -0.59921747916 -3.11887492323 TCL: atom 1: phi = 0.306971940689 TCL: Center of mass = 31.2122628804 -0.59914487303 -3.11879669918 TCL: atom 1: phi = 0.306937418034 TCL: Center of mass = 31.2153906932 -0.599063665833 -3.11872056441 TCL: atom 1: phi = 0.306662920781 TCL: Center of mass = 31.2185131303 -0.598981530214 -3.11864107747 TCL: atom 1: phi = 0.306688674075 TCL: Center of mass = 31.2216377972 -0.598903832813 -3.11856730168 TCL: atom 1: phi = 0.306606850702 TCL: Center of mass = 31.2247630458 -0.5988266711 -3.11849155435 TCL: atom 1: phi = 0.306859360042 TCL: Center of mass = 31.2278831876 -0.598747223249 -3.11841530147 TCL: atom 1: phi = 0.306907228594 TCL: Center of mass = 31.2310026208 -0.598665266811 -3.11833616734 TCL: atom 1: phi = 0.307321527053 TCL: Center of mass = 31.2341165698 -0.598583987947 -3.11826159335 TCL: atom 1: phi = 0.307488791667 TCL: Center of mass = 31.2372329883 -0.598509546741 -3.11821311538 TCL: atom 1: phi = 0.307979665455 TCL: Center of mass = 31.2403487978 -0.598423967489 -3.11817809309 TCL: atom 1: phi = 0.308130748121 TCL: Center of mass = 31.2434653374 -0.598352229056 -3.11813911239 TCL: atom 1: phi = 0.308701512828 TCL: Center of mass = 31.2465872016 -0.598274649537 -3.11810244738 TCL: atom 1: phi = 0.308940855173 TCL: Center of mass = 31.2497057665 -0.598185451636 -3.11807057953 TCL: atom 1: phi = 0.309628779611 TIMING: 11100 CPU: 1901.08, 0.173234/step Wall: 2323.58, 0.210649/step, 0.520771 hours remaining, 22000 kB of memory in use. ENERGY: 11100 406.2315 664.8900 416.2529 48.3867 -2808.5546 -165.6463 0.0000 0.0000 1157.2859 -281.1539 315.3928 -271.8758 -273.7078 313.2317 1393.0569 1284.6658 64000.0000 845.7853 850.5996 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11100 WRITING COORDINATES TO DCD FILE AT STEP 11100 WRITING COORDINATES TO RESTART FILE AT STEP 11100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 31.2528224857 -0.598097990653 -3.11803982623 TCL: atom 1: phi = 0.309994130822 TCL: Center of mass = 31.2559453271 -0.598003975816 -3.1180066509 TCL: atom 1: phi = 0.310807736541 TCL: Center of mass = 31.259057734 -0.597918045235 -3.11797810675 TCL: atom 1: phi = 0.311176663705 TCL: Center of mass = 31.2621713947 -0.597827317997 -3.11793959354 TCL: atom 1: phi = 0.311932023699 TCL: Center of mass = 31.26529751 -0.597733566885 -3.11789921283 TCL: atom 1: phi = 0.312096765138 TCL: Center of mass = 31.2684379795 -0.597633751345 -3.11786540637 TCL: atom 1: phi = 0.312570906676 TCL: Center of mass = 31.2715794435 -0.597543133246 -3.11782575441 TCL: atom 1: phi = 0.312440955481 TCL: Center of mass = 31.2747181988 -0.597455646384 -3.11780237445 TCL: atom 1: phi = 0.312728500477 TCL: Center of mass = 31.2778697597 -0.597365462543 -3.11778760931 TCL: atom 1: phi = 0.312413883015 TCL: Center of mass = 31.2810198768 -0.597279304751 -3.11777127498 TCL: atom 1: phi = 0.312563074303 TCL: Center of mass = 31.2841679238 -0.597193485127 -3.11775053354 TCL: atom 1: phi = 0.312164560322 TCL: Center of mass = 31.2873090365 -0.597106197878 -3.11773414055 TCL: atom 1: phi = 0.312223948244 TCL: Center of mass = 31.2904552567 -0.597020282998 -3.11772673464 TCL: atom 1: phi = 0.311726884568 TCL: Center of mass = 31.2935864638 -0.596939586139 -3.11771951079 TCL: atom 1: phi = 0.311580937314 TCL: Center of mass = 31.2967187044 -0.596838165112 -3.11772087796 TCL: atom 1: phi = 0.310831850676 TCL: Center of mass = 31.2998454495 -0.596741668131 -3.1177257515 TCL: atom 1: phi = 0.310362054673 TCL: Center of mass = 31.3029862991 -0.59665200632 -3.11772922031 TCL: atom 1: phi = 0.309279308096 TCL: Center of mass = 31.3061272892 -0.596560923837 -3.11773462593 TCL: atom 1: phi = 0.308517102673 TCL: Center of mass = 31.3092722139 -0.596481244221 -3.11773274835 TCL: atom 1: phi = 0.307234002506 TCL: Center of mass = 31.3124153908 -0.596401401019 -3.11772439336 TCL: atom 1: phi = 0.3062123996 TCL: Center of mass = 31.3155584154 -0.596317434058 -3.11771826921 TCL: atom 1: phi = 0.304745423728 TCL: Center of mass = 31.3187054423 -0.596238019322 -3.11771191136 TCL: atom 1: phi = 0.303526030452 TCL: Center of mass = 31.3218647859 -0.596158377056 -3.11769989045 TCL: atom 1: phi = 0.30195356281 TCL: Center of mass = 31.3250213826 -0.596086741729 -3.11768058631 TCL: atom 1: phi = 0.300565850385 TCL: Center of mass = 31.3281832776 -0.596012196147 -3.11766257244 TCL: atom 1: phi = 0.298832422479 TCL: Center of mass = 31.3313475999 -0.595938750118 -3.11765252976 TCL: atom 1: phi = 0.297266356526 TCL: Center of mass = 31.3345002327 -0.595871870804 -3.11764255045 TCL: atom 1: phi = 0.295430788433 TCL: Center of mass = 31.3376564522 -0.595804186501 -3.11763587048 TCL: atom 1: phi = 0.293760751061 TCL: Center of mass = 31.3408232513 -0.595733146759 -3.11762442055 TCL: atom 1: phi = 0.291987283542 TCL: Center of mass = 31.3439876744 -0.595666174171 -3.11759956224 TCL: atom 1: phi = 0.290583012279 TCL: Center of mass = 31.3471440122 -0.59558839043 -3.11757818458 TCL: atom 1: phi = 0.289273725641 TCL: Center of mass = 31.3502967818 -0.595517126443 -3.11755836226 TCL: atom 1: phi = 0.288420941348 TCL: Center of mass = 31.3534601397 -0.595451458892 -3.11752761759 TCL: atom 1: phi = 0.287716240388 TCL: Center of mass = 31.3566201994 -0.59539064807 -3.11749073825 TCL: atom 1: phi = 0.287495360915 TCL: Center of mass = 31.3597731953 -0.595334063639 -3.11746860174 TCL: atom 1: phi = 0.287350411795 TCL: Center of mass = 31.3629300359 -0.595268619325 -3.11746083484 TCL: atom 1: phi = 0.287585510169 TCL: Center of mass = 31.3660962364 -0.595198034889 -3.11745853191 TCL: atom 1: phi = 0.287892699091 TCL: Center of mass = 31.3692666673 -0.595130115188 -3.1174527196 TCL: atom 1: phi = 0.288607232551 TCL: Center of mass = 31.3724312509 -0.595062990366 -3.11744753497 TCL: atom 1: phi = 0.28935675331 TCL: Center of mass = 31.3755979394 -0.594993495705 -3.11744816508 TCL: atom 1: phi = 0.290540312409 TCL: Center of mass = 31.3787705552 -0.594923891077 -3.11744483986 TCL: atom 1: phi = 0.291840903032 TCL: Center of mass = 31.3819415596 -0.594860365872 -3.11743667035 TCL: atom 1: phi = 0.293526335503 TCL: Center of mass = 31.3851137115 -0.594796790921 -3.11742136595 TCL: atom 1: phi = 0.295154228245 TCL: Center of mass = 31.3882855173 -0.594721210859 -3.11741200719 TCL: atom 1: phi = 0.296970016173 TCL: Center of mass = 31.3914626234 -0.594639848432 -3.11739184117 TCL: atom 1: phi = 0.298440141433 TCL: Center of mass = 31.3946328335 -0.594553643146 -3.11737650643 TCL: atom 1: phi = 0.299938170439 TCL: Center of mass = 31.39780277 -0.594475315108 -3.11736242679 TCL: atom 1: phi = 0.300973451262 TCL: Center of mass = 31.40097598 -0.594393156471 -3.11734254353 TCL: atom 1: phi = 0.302009204727 TCL: Center of mass = 31.4041427432 -0.59430967442 -3.11732280185 TCL: atom 1: phi = 0.302670710454 TCL: Center of mass = 31.4073058173 -0.594227465228 -3.11729332745 TCL: atom 1: phi = 0.303535047646 TCL: Center of mass = 31.4104605818 -0.594140171567 -3.11725889332 TCL: atom 1: phi = 0.304151810344 TCL: Center of mass = 31.4136057273 -0.594046041555 -3.11723187758 TCL: atom 1: phi = 0.304983651341 TCL: Center of mass = 31.416756565 -0.593953637633 -3.11720711387 TCL: atom 1: phi = 0.305512445286 TCL: Center of mass = 31.4199032871 -0.593862709543 -3.11716563835 TCL: atom 1: phi = 0.306210589945 TCL: Center of mass = 31.4230444472 -0.593782323135 -3.11713165702 TCL: atom 1: phi = 0.306653029664 TCL: Center of mass = 31.4261955499 -0.593698432792 -3.11709488548 TCL: atom 1: phi = 0.307259209993 TCL: Center of mass = 31.429343466 -0.593611115694 -3.11705869758 TCL: atom 1: phi = 0.307573327186 TCL: Center of mass = 31.4324760453 -0.593532489882 -3.11701566251 TCL: atom 1: phi = 0.308128218235 TCL: Center of mass = 31.4356099024 -0.593465654137 -3.11696910961 TCL: atom 1: phi = 0.308531422272 TCL: Center of mass = 31.4387446808 -0.593404646065 -3.11692819376 TCL: atom 1: phi = 0.309256350478 TCL: Center of mass = 31.4418685416 -0.593339792355 -3.11689770083 TCL: atom 1: phi = 0.309789450111 TCL: Center of mass = 31.4449962475 -0.593271152392 -3.11686723082 TCL: atom 1: phi = 0.310619035737 TCL: Center of mass = 31.4481152015 -0.593208492658 -3.11683987913 TCL: atom 1: phi = 0.31121124665 TCL: Center of mass = 31.4512337017 -0.59313163565 -3.11680289215 TCL: atom 1: phi = 0.312009778483 TCL: Center of mass = 31.4543555545 -0.593057395768 -3.11676761079 TCL: atom 1: phi = 0.312329201469 TCL: Center of mass = 31.4574851001 -0.592983351807 -3.11672522917 TCL: atom 1: phi = 0.312723688863 TCL: Center of mass = 31.4606114907 -0.592913934918 -3.1166879076 TCL: atom 1: phi = 0.312599755074 TCL: Center of mass = 31.4637354609 -0.592838127952 -3.11665440112 TCL: atom 1: phi = 0.312534774262 TCL: Center of mass = 31.4668587457 -0.592763362903 -3.11661898576 TCL: atom 1: phi = 0.312018976363 TCL: Center of mass = 31.4699931916 -0.592688376931 -3.1165855783 TCL: atom 1: phi = 0.311657765602 TCL: Center of mass = 31.4731313333 -0.592613905242 -3.11655630486 TCL: atom 1: phi = 0.310974206365 TCL: Center of mass = 31.4762676343 -0.592554995404 -3.11652782141 TCL: atom 1: phi = 0.310627634358 TCL: Center of mass = 31.4794109443 -0.59247915304 -3.11649699309 TCL: atom 1: phi = 0.310021197892 TCL: Center of mass = 31.4825433282 -0.592401650003 -3.1164721416 TCL: atom 1: phi = 0.30971501737 TCL: Center of mass = 31.4856679613 -0.592329359012 -3.1164485527 TCL: atom 1: phi = 0.309065109104 TCL: Center of mass = 31.4887950171 -0.59224318121 -3.11643558714 TCL: atom 1: phi = 0.308555903721 TCL: Center of mass = 31.4919183259 -0.592168725061 -3.11642882937 TCL: atom 1: phi = 0.307625590809 TCL: Center of mass = 31.4950425303 -0.592100409208 -3.11642761576 TCL: atom 1: phi = 0.30683687942 TCL: Center of mass = 31.4981583922 -0.592037609733 -3.11642900439 TCL: atom 1: phi = 0.305737015646 TCL: Center of mass = 31.5012888702 -0.591975350359 -3.11642909316 TCL: atom 1: phi = 0.305031475575 TCL: Center of mass = 31.5044112466 -0.591913239618 -3.11641921392 TCL: atom 1: phi = 0.304191324938 TCL: Center of mass = 31.5075233398 -0.591861543697 -3.11641831333 TCL: atom 1: phi = 0.303744629412 TCL: Center of mass = 31.5106464765 -0.59180262826 -3.11642388066 TCL: atom 1: phi = 0.303193222977 TCL: Center of mass = 31.5137584208 -0.591742596252 -3.11642325413 TCL: atom 1: phi = 0.302969979384 TCL: Center of mass = 31.5168583507 -0.591670142059 -3.11641859282 TCL: atom 1: phi = 0.302504075281 TCL: Center of mass = 31.5199558547 -0.591603810936 -3.1164061126 TCL: atom 1: phi = 0.302264093356 TCL: Center of mass = 31.5230638109 -0.591543323548 -3.11640274569 TCL: atom 1: phi = 0.301702906455 TCL: Center of mass = 31.5261692755 -0.591482454222 -3.11640591937 TCL: atom 1: phi = 0.301302179933 TCL: Center of mass = 31.5292648934 -0.591432743689 -3.11639957407 TCL: atom 1: phi = 0.300526591823 TCL: Center of mass = 31.5323514301 -0.59137178168 -3.11639315748 TCL: atom 1: phi = 0.299913916983 TCL: Center of mass = 31.5354275279 -0.5913182944 -3.11639218038 TCL: atom 1: phi = 0.299058901976 TCL: Center of mass = 31.5385011113 -0.591276480798 -3.11639015898 TCL: atom 1: phi = 0.298519299924 TCL: Center of mass = 31.5415720445 -0.591229104418 -3.11639594584 TCL: atom 1: phi = 0.297770886578 TCL: Center of mass = 31.5446547637 -0.59116777042 -3.11640547179 TCL: atom 1: phi = 0.297231938618 TCL: Center of mass = 31.5477347963 -0.59109765907 -3.11640584308 TCL: atom 1: phi = 0.296414746588 TCL: Center of mass = 31.5508079288 -0.591022038884 -3.11641045197 TCL: atom 1: phi = 0.295871223577 TCL: Center of mass = 31.5538917914 -0.59094693973 -3.11641881191 TCL: atom 1: phi = 0.294979083913 TCL: Center of mass = 31.5569759419 -0.590876336908 -3.11642691204 TCL: atom 1: phi = 0.294324833568 TCL: Center of mass = 31.5600481415 -0.590791219377 -3.11643073541 TCL: atom 1: phi = 0.293404370696 TCL: Center of mass = 31.5631070985 -0.59071006943 -3.11644906231 TCL: atom 1: phi = 0.292803620876 TIMING: 11200 CPU: 1918.27, 0.171894/step Wall: 2344.63, 0.210462/step, 0.514462 hours remaining, 22000 kB of memory in use. ENERGY: 11200 419.8020 690.6346 415.9921 42.5878 -2781.5576 -212.2070 0.0000 0.0000 1150.7161 -274.0319 313.6023 -265.1835 -265.5530 315.8440 68.9768 64.9476 64000.0000 907.1135 905.2834 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11200 WRITING COORDINATES TO DCD FILE AT STEP 11200 WRITING COORDINATES TO RESTART FILE AT STEP 11200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 31.5661638802 -0.590628183003 -3.11645896603 TCL: atom 1: phi = 0.292052335235 TCL: Center of mass = 31.5692321861 -0.590540944632 -3.11646991103 TCL: atom 1: phi = 0.291711653417 TCL: Center of mass = 31.5723042296 -0.590464339663 -3.1164874637 TCL: atom 1: phi = 0.291258000171 TCL: Center of mass = 31.5753750582 -0.590388453573 -3.11650779139 TCL: atom 1: phi = 0.291161000828 TCL: Center of mass = 31.5784403577 -0.590322597843 -3.11652612019 TCL: atom 1: phi = 0.290830414306 TCL: Center of mass = 31.5814975706 -0.590264079514 -3.1165530687 TCL: atom 1: phi = 0.290756635822 TCL: Center of mass = 31.5845588955 -0.590215147458 -3.11656770318 TCL: atom 1: phi = 0.290383518842 TCL: Center of mass = 31.5876219379 -0.590165112686 -3.11658116134 TCL: atom 1: phi = 0.290174196147 TCL: Center of mass = 31.5906951623 -0.590109852317 -3.11659591086 TCL: atom 1: phi = 0.28968858154 TCL: Center of mass = 31.5937719793 -0.590048350818 -3.11661062287 TCL: atom 1: phi = 0.289453293411 TCL: Center of mass = 31.5968480627 -0.589984170607 -3.11661504764 TCL: atom 1: phi = 0.289095511289 TCL: Center of mass = 31.5999370215 -0.589922226285 -3.11662264492 TCL: atom 1: phi = 0.289085195605 TCL: Center of mass = 31.6030225293 -0.589855732531 -3.11661900614 TCL: atom 1: phi = 0.28898575621 TCL: Center of mass = 31.6061105167 -0.589792591802 -3.11661134873 TCL: atom 1: phi = 0.289197686906 TCL: Center of mass = 31.6092027093 -0.589732760222 -3.11660749286 TCL: atom 1: phi = 0.289209092776 TCL: Center of mass = 31.6122984891 -0.589663386565 -3.11659192869 TCL: atom 1: phi = 0.289477312207 TCL: Center of mass = 31.6153901517 -0.589591556805 -3.1165743807 TCL: atom 1: phi = 0.289492752004 TCL: Center of mass = 31.6184766366 -0.589505180698 -3.11656168616 TCL: atom 1: phi = 0.289708449183 TCL: Center of mass = 31.6215617405 -0.589422464128 -3.11655694214 TCL: atom 1: phi = 0.289665060569 TCL: Center of mass = 31.6246498661 -0.589349874783 -3.11654070083 TCL: atom 1: phi = 0.289892748847 TCL: Center of mass = 31.6277436039 -0.589274386196 -3.11652238637 TCL: atom 1: phi = 0.289869425563 TCL: Center of mass = 31.6308330669 -0.589195775485 -3.11650273604 TCL: atom 1: phi = 0.290162798278 TCL: Center of mass = 31.633913277 -0.589118868489 -3.11649384979 TCL: atom 1: phi = 0.290251506685 TCL: Center of mass = 31.6369857365 -0.589038426483 -3.11649877766 TCL: atom 1: phi = 0.290677746194 TCL: Center of mass = 31.6400645107 -0.588967542301 -3.11650559943 TCL: atom 1: phi = 0.290846839682 TCL: Center of mass = 31.6431558776 -0.588903538203 -3.11650253787 TCL: atom 1: phi = 0.291309934384 TCL: Center of mass = 31.6462459511 -0.588841081847 -3.11650378284 TCL: atom 1: phi = 0.291454689655 TCL: Center of mass = 31.6493377236 -0.588772970905 -3.11651731196 TCL: atom 1: phi = 0.291851780547 TCL: Center of mass = 31.6524341114 -0.588701511334 -3.11653329332 TCL: atom 1: phi = 0.291872121725 TCL: Center of mass = 31.6555097228 -0.58862763866 -3.11654117599 TCL: atom 1: phi = 0.292185233871 TCL: Center of mass = 31.6585827392 -0.588570615451 -3.11655711633 TCL: atom 1: phi = 0.292245094601 TCL: Center of mass = 31.6616595819 -0.588523344037 -3.11657217698 TCL: atom 1: phi = 0.292724306803 TCL: Center of mass = 31.6647402361 -0.588483353074 -3.11657987172 TCL: atom 1: phi = 0.292967665579 TCL: Center of mass = 31.667828731 -0.588436754749 -3.11659228729 TCL: atom 1: phi = 0.293666780944 TCL: Center of mass = 31.6709023438 -0.588398888835 -3.11661872837 TCL: atom 1: phi = 0.294017057608 TCL: Center of mass = 31.6739691858 -0.588364633311 -3.11663457805 TCL: atom 1: phi = 0.294647832408 TCL: Center of mass = 31.6770383183 -0.588329651015 -3.11663846774 TCL: atom 1: phi = 0.294756717154 TCL: Center of mass = 31.6800924447 -0.58829058747 -3.11662658441 TCL: atom 1: phi = 0.29507897491 TCL: Center of mass = 31.6831618341 -0.588262332846 -3.11662606099 TCL: atom 1: phi = 0.294893761162 TCL: Center of mass = 31.6862276329 -0.588237161351 -3.11662609942 TCL: atom 1: phi = 0.294992359124 TCL: Center of mass = 31.6893019755 -0.588208079816 -3.11663966315 TCL: atom 1: phi = 0.294646091565 TCL: Center of mass = 31.6923896377 -0.588176258578 -3.11664778388 TCL: atom 1: phi = 0.2946927437 TCL: Center of mass = 31.6954866539 -0.58814835729 -3.11665621098 TCL: atom 1: phi = 0.294465812106 TCL: Center of mass = 31.6985876675 -0.588121799783 -3.11667290956 TCL: atom 1: phi = 0.294655447658 TCL: Center of mass = 31.7016881989 -0.588092871312 -3.11669374283 TCL: atom 1: phi = 0.29452544938 TCL: Center of mass = 31.7047949178 -0.58806641509 -3.116710434 TCL: atom 1: phi = 0.294620147614 TCL: Center of mass = 31.7079021861 -0.588046753073 -3.116719784 TCL: atom 1: phi = 0.294286772597 TCL: Center of mass = 31.7110181067 -0.588020924708 -3.11674194918 TCL: atom 1: phi = 0.294189489552 TCL: Center of mass = 31.7141408371 -0.588003034641 -3.11676298334 TCL: atom 1: phi = 0.293702700094 TCL: Center of mass = 31.7172498379 -0.587990842546 -3.11678228515 TCL: atom 1: phi = 0.293475786976 TCL: Center of mass = 31.7203485483 -0.587979955897 -3.11680527315 TCL: atom 1: phi = 0.293083193629 TCL: Center of mass = 31.7234314858 -0.587968288639 -3.11682968537 TCL: atom 1: phi = 0.293065929101 TCL: Center of mass = 31.7265150251 -0.587958417884 -3.11685599439 TCL: atom 1: phi = 0.292980597965 TCL: Center of mass = 31.7296026155 -0.587962535915 -3.11687751547 TCL: atom 1: phi = 0.293347407534 TCL: Center of mass = 31.7326838996 -0.5879615057 -3.11689913292 TCL: atom 1: phi = 0.293753036742 TCL: Center of mass = 31.7357631037 -0.587960012648 -3.11692985766 TCL: atom 1: phi = 0.294554680244 TCL: Center of mass = 31.7388450549 -0.587962854342 -3.11695541392 TCL: atom 1: phi = 0.295244511409 TCL: Center of mass = 31.7419249773 -0.587957625311 -3.1169807581 TCL: atom 1: phi = 0.29626654288 TCL: Center of mass = 31.7450210304 -0.587944858342 -3.11700517665 TCL: atom 1: phi = 0.2972144503 TCL: Center of mass = 31.7481270668 -0.587924445051 -3.11702644693 TCL: atom 1: phi = 0.298554088711 TCL: Center of mass = 31.7512300848 -0.587907921036 -3.11704183594 TCL: atom 1: phi = 0.299777318548 TCL: Center of mass = 31.7543331298 -0.587893999214 -3.11705536576 TCL: atom 1: phi = 0.301373736251 TCL: Center of mass = 31.7574305583 -0.587891904775 -3.1170742093 TCL: atom 1: phi = 0.302829659817 TCL: Center of mass = 31.7605302301 -0.587885782559 -3.11708448955 TCL: atom 1: phi = 0.304642622018 TCL: Center of mass = 31.7636321384 -0.587880307364 -3.11709382965 TCL: atom 1: phi = 0.306213480501 TCL: Center of mass = 31.7667296072 -0.587856354547 -3.11710521897 TCL: atom 1: phi = 0.308005884121 TCL: Center of mass = 31.769823291 -0.587838344154 -3.11711688797 TCL: atom 1: phi = 0.309359063843 TCL: Center of mass = 31.7729074186 -0.587818444478 -3.11712193606 TCL: atom 1: phi = 0.310821257942 TCL: Center of mass = 31.7759852991 -0.587804263869 -3.11712746358 TCL: atom 1: phi = 0.311712117329 TCL: Center of mass = 31.779068495 -0.587780221409 -3.11713055471 TCL: atom 1: phi = 0.312791119617 TCL: Center of mass = 31.7821642377 -0.587739867166 -3.1171320863 TCL: atom 1: phi = 0.313445724262 TCL: Center of mass = 31.7852692027 -0.587688507083 -3.11713455667 TCL: atom 1: phi = 0.314337533831 TCL: Center of mass = 31.7883769096 -0.587641790025 -3.11714057555 TCL: atom 1: phi = 0.314794563192 TCL: Center of mass = 31.7914801416 -0.587593685835 -3.11713846256 TCL: atom 1: phi = 0.31555545666 TCL: Center of mass = 31.794589945 -0.587540257998 -3.11714108185 TCL: atom 1: phi = 0.315843801354 TCL: Center of mass = 31.7977034675 -0.587491057891 -3.11714721755 TCL: atom 1: phi = 0.316439315315 TCL: Center of mass = 31.8008110465 -0.587441723884 -3.1171651421 TCL: atom 1: phi = 0.316616970783 TCL: Center of mass = 31.8039262361 -0.587391246519 -3.11716886636 TCL: atom 1: phi = 0.317099946498 TCL: Center of mass = 31.8070427927 -0.587335346152 -3.11717991699 TCL: atom 1: phi = 0.317108856297 TCL: Center of mass = 31.8101642533 -0.587286603945 -3.11719068353 TCL: atom 1: phi = 0.317430315176 TCL: Center of mass = 31.8132789473 -0.587245330408 -3.11719590591 TCL: atom 1: phi = 0.317267709287 TCL: Center of mass = 31.8163862074 -0.587219454258 -3.11720098105 TCL: atom 1: phi = 0.317381166111 TCL: Center of mass = 31.8194864024 -0.587191669619 -3.1171969882 TCL: atom 1: phi = 0.31705715863 TCL: Center of mass = 31.822580666 -0.587167352988 -3.11719226722 TCL: atom 1: phi = 0.317071202503 TCL: Center of mass = 31.8256796632 -0.58714010232 -3.1171899666 TCL: atom 1: phi = 0.316606100806 TCL: Center of mass = 31.8287782613 -0.587105072992 -3.11720076883 TCL: atom 1: phi = 0.316473149501 TCL: Center of mass = 31.8318838876 -0.587075398714 -3.11722157439 TCL: atom 1: phi = 0.315892289973 TCL: Center of mass = 31.8349826209 -0.587027976108 -3.11724133634 TCL: atom 1: phi = 0.315609526492 TCL: Center of mass = 31.8380817427 -0.586979669902 -3.11725580099 TCL: atom 1: phi = 0.314888001564 TCL: Center of mass = 31.8411770909 -0.586931000464 -3.11726472955 TCL: atom 1: phi = 0.314480722845 TCL: Center of mass = 31.8442755804 -0.586899245993 -3.11728140872 TCL: atom 1: phi = 0.313696953731 TCL: Center of mass = 31.8473685767 -0.586871977096 -3.11729309106 TCL: atom 1: phi = 0.313214285293 TCL: Center of mass = 31.8504475447 -0.586856209984 -3.11730034279 TCL: atom 1: phi = 0.312396074457 TCL: Center of mass = 31.8535202472 -0.586836463029 -3.11730683148 TCL: atom 1: phi = 0.311964761943 TCL: Center of mass = 31.8565846019 -0.586817252396 -3.11731689401 TCL: atom 1: phi = 0.311342493943 TCL: Center of mass = 31.859655641 -0.586808462632 -3.11732211604 TCL: atom 1: phi = 0.311060187499 TCL: Center of mass = 31.862726058 -0.586797492922 -3.11732923479 TCL: atom 1: phi = 0.310555571548 TCL: Center of mass = 31.8658165648 -0.586789302919 -3.11733765782 TCL: atom 1: phi = 0.310407687674 TCL: Center of mass = 31.8689172987 -0.5867817094 -3.11734004201 TCL: atom 1: phi = 0.309995874142 TCL: Center of mass = 31.8720097726 -0.586770631912 -3.11735198656 TCL: atom 1: phi = 0.309814516144 TIMING: 11300 CPU: 1935.58, 0.173094/step Wall: 2365.76, 0.211321/step, 0.510693 hours remaining, 22000 kB of memory in use. ENERGY: 11300 397.3724 695.5574 423.1450 48.5599 -2756.3107 -222.9748 0.0000 0.0000 1151.6465 -263.0043 313.8559 -254.2013 -254.7662 314.4179 855.1996 958.7817 64000.0000 543.2659 545.1221 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11300 WRITING COORDINATES TO DCD FILE AT STEP 11300 WRITING COORDINATES TO RESTART FILE AT STEP 11300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 31.8751014456 -0.586750104019 -3.11736969402 TCL: atom 1: phi = 0.309430092786 TCL: Center of mass = 31.8781796535 -0.586724351709 -3.11739275433 TCL: atom 1: phi = 0.309250487352 TCL: Center of mass = 31.8812513608 -0.586710690829 -3.11742068334 TCL: atom 1: phi = 0.308942710005 TCL: Center of mass = 31.8843289881 -0.586698445196 -3.11745584013 TCL: atom 1: phi = 0.308864361282 TCL: Center of mass = 31.8874114083 -0.586674706545 -3.11748846853 TCL: atom 1: phi = 0.308632161879 TCL: Center of mass = 31.8905081246 -0.586660109836 -3.11751992269 TCL: atom 1: phi = 0.308613419031 TCL: Center of mass = 31.8936224083 -0.586660098325 -3.11755913765 TCL: atom 1: phi = 0.308383125448 TCL: Center of mass = 31.8967423207 -0.586656900535 -3.11758730202 TCL: atom 1: phi = 0.308293469368 TCL: Center of mass = 31.8998564271 -0.586669613222 -3.11762717719 TCL: atom 1: phi = 0.307946045281 TCL: Center of mass = 31.9029749464 -0.586683693094 -3.11766995136 TCL: atom 1: phi = 0.307689912782 TCL: Center of mass = 31.9061037907 -0.586692822582 -3.11772323035 TCL: atom 1: phi = 0.307186198769 TCL: Center of mass = 31.9092361079 -0.586702365182 -3.11778713928 TCL: atom 1: phi = 0.306807887206 TCL: Center of mass = 31.9123577004 -0.586707751356 -3.11785216418 TCL: atom 1: phi = 0.306223587597 TCL: Center of mass = 31.915488198 -0.586711524302 -3.11791897415 TCL: atom 1: phi = 0.305809260372 TCL: Center of mass = 31.9186162307 -0.586729446753 -3.11798829912 TCL: atom 1: phi = 0.30521171899 TCL: Center of mass = 31.9217457287 -0.586735617294 -3.11804897709 TCL: atom 1: phi = 0.304847810332 TCL: Center of mass = 31.92488853 -0.586735129701 -3.11810264123 TCL: atom 1: phi = 0.304417282074 TCL: Center of mass = 31.9280351337 -0.586731648282 -3.11814038169 TCL: atom 1: phi = 0.304229915958 TCL: Center of mass = 31.9311811818 -0.58672968498 -3.11817645564 TCL: atom 1: phi = 0.303923795132 TCL: Center of mass = 31.9343190958 -0.586737082971 -3.11820774919 TCL: atom 1: phi = 0.303817378333 TCL: Center of mass = 31.9374659643 -0.586744008849 -3.11823012 TCL: atom 1: phi = 0.303680948477 TCL: Center of mass = 31.94061735 -0.586753480348 -3.11825204622 TCL: atom 1: phi = 0.303790240394 TCL: Center of mass = 31.9437835267 -0.586757414399 -3.11826993523 TCL: atom 1: phi = 0.303896044436 TCL: Center of mass = 31.9469449288 -0.586763327486 -3.11829250673 TCL: atom 1: phi = 0.304321249112 TCL: Center of mass = 31.9500947157 -0.586771727757 -3.11830717082 TCL: atom 1: phi = 0.304762476262 TCL: Center of mass = 31.9532320277 -0.586793283228 -3.11831675236 TCL: atom 1: phi = 0.305526516043 TCL: Center of mass = 31.9563647846 -0.586819822564 -3.11832153824 TCL: atom 1: phi = 0.306311171152 TCL: Center of mass = 31.9595017882 -0.586841767131 -3.11833304592 TCL: atom 1: phi = 0.307406010994 TCL: Center of mass = 31.9626421257 -0.586873747804 -3.11834513545 TCL: atom 1: phi = 0.308509537082 TCL: Center of mass = 31.9657917288 -0.586901942421 -3.11835699654 TCL: atom 1: phi = 0.309929452873 TCL: Center of mass = 31.9689394969 -0.586934584901 -3.11836945325 TCL: atom 1: phi = 0.311366922481 TCL: Center of mass = 31.972090422 -0.586960089154 -3.11838789319 TCL: atom 1: phi = 0.313188234504 TCL: Center of mass = 31.975250853 -0.586979862008 -3.11841202019 TCL: atom 1: phi = 0.314955941857 TCL: Center of mass = 31.9784082678 -0.586995633664 -3.11843606544 TCL: atom 1: phi = 0.317009171759 TCL: Center of mass = 31.9815656551 -0.587018532511 -3.11846562417 TCL: atom 1: phi = 0.318891278922 TCL: Center of mass = 31.9847192253 -0.587037477899 -3.11849970476 TCL: atom 1: phi = 0.321022077336 TCL: Center of mass = 31.9878607384 -0.587051933092 -3.11854126735 TCL: atom 1: phi = 0.322872430949 TCL: Center of mass = 31.9909885022 -0.587067193464 -3.11857761637 TCL: atom 1: phi = 0.324956132926 TCL: Center of mass = 31.9941128306 -0.587083100173 -3.11861475655 TCL: atom 1: phi = 0.326693872549 TCL: Center of mass = 31.9972308296 -0.587115572134 -3.11866395163 TCL: atom 1: phi = 0.328625204501 TCL: Center of mass = 32.0003565406 -0.587148047137 -3.11871488268 TCL: atom 1: phi = 0.330096855638 TCL: Center of mass = 32.0034858216 -0.587183739323 -3.11877674576 TCL: atom 1: phi = 0.331708734599 TCL: Center of mass = 32.0066133474 -0.587225679077 -3.11882562216 TCL: atom 1: phi = 0.332767153543 TCL: Center of mass = 32.0097321845 -0.587268135622 -3.11886726989 TCL: atom 1: phi = 0.33396659617 TCL: Center of mass = 32.0128553374 -0.587303853514 -3.11891234121 TCL: atom 1: phi = 0.334581453434 TCL: Center of mass = 32.0159745046 -0.587342791387 -3.1189659069 TCL: atom 1: phi = 0.335288824601 TCL: Center of mass = 32.0190824686 -0.587379302061 -3.11901253564 TCL: atom 1: phi = 0.335384800819 TCL: Center of mass = 32.0221781781 -0.587415084035 -3.11905733654 TCL: atom 1: phi = 0.335640976945 TCL: Center of mass = 32.0252699711 -0.587454372118 -3.11910932257 TCL: atom 1: phi = 0.335339372095 TCL: Center of mass = 32.0283649907 -0.587488051946 -3.11916537304 TCL: atom 1: phi = 0.335206667459 TCL: Center of mass = 32.0314575082 -0.587523462718 -3.11921264706 TCL: atom 1: phi = 0.334598372197 TCL: Center of mass = 32.0345414089 -0.587557862121 -3.11925719764 TCL: atom 1: phi = 0.334255901265 TCL: Center of mass = 32.0376134558 -0.58758774258 -3.11930534481 TCL: atom 1: phi = 0.333540775619 TCL: Center of mass = 32.0406836392 -0.58763270511 -3.11934728967 TCL: atom 1: phi = 0.333058502547 TCL: Center of mass = 32.0437492923 -0.587685041981 -3.1193913277 TCL: atom 1: phi = 0.332278773198 TCL: Center of mass = 32.046810806 -0.587738790784 -3.11944343255 TCL: atom 1: phi = 0.331812042964 TCL: Center of mass = 32.0498705321 -0.587792498778 -3.11948686311 TCL: atom 1: phi = 0.331036882138 TCL: Center of mass = 32.0529289763 -0.587849493034 -3.11952210922 TCL: atom 1: phi = 0.330515680845 TCL: Center of mass = 32.0559816266 -0.587906794423 -3.11955814615 TCL: atom 1: phi = 0.329738243267 TCL: Center of mass = 32.0590332901 -0.587960420195 -3.1195987324 TCL: atom 1: phi = 0.329257178821 TCL: Center of mass = 32.0620917181 -0.58800539816 -3.11962929717 TCL: atom 1: phi = 0.328589304013 TCL: Center of mass = 32.0651495775 -0.588043850799 -3.11966248972 TCL: atom 1: phi = 0.328281370568 TCL: Center of mass = 32.0682246656 -0.588085139189 -3.11969251633 TCL: atom 1: phi = 0.327858456138 TCL: Center of mass = 32.071294236 -0.588118430082 -3.11972357947 TCL: atom 1: phi = 0.327753435623 TCL: Center of mass = 32.074362165 -0.588145877818 -3.11974852719 TCL: atom 1: phi = 0.327519402092 TCL: Center of mass = 32.0774338647 -0.588163906745 -3.11978081214 TCL: atom 1: phi = 0.327549502323 TCL: Center of mass = 32.0805128387 -0.588183238583 -3.11980739105 TCL: atom 1: phi = 0.327462928801 TCL: Center of mass = 32.0835954921 -0.588205063619 -3.11983423245 TCL: atom 1: phi = 0.327639825091 TCL: Center of mass = 32.0866804102 -0.58823217185 -3.11986289648 TCL: atom 1: phi = 0.327651761885 TCL: Center of mass = 32.0897721148 -0.588256199626 -3.11989658149 TCL: atom 1: phi = 0.327887442516 TCL: Center of mass = 32.0928644482 -0.588269119002 -3.1199266032 TCL: atom 1: phi = 0.327932343113 TCL: Center of mass = 32.0959592535 -0.58828026978 -3.11996134283 TCL: atom 1: phi = 0.328198136273 TCL: Center of mass = 32.0990609546 -0.58830764307 -3.11999857199 TCL: atom 1: phi = 0.328194720065 TCL: Center of mass = 32.1021788061 -0.588346202688 -3.12004469694 TCL: atom 1: phi = 0.328411390952 TCL: Center of mass = 32.1052995148 -0.588380943931 -3.12008257602 TCL: atom 1: phi = 0.328377488897 TCL: Center of mass = 32.1084148259 -0.588426698393 -3.12010571593 TCL: atom 1: phi = 0.328524079421 TCL: Center of mass = 32.1115245593 -0.588469118461 -3.12012213788 TCL: atom 1: phi = 0.328367870096 TCL: Center of mass = 32.1146315345 -0.588504548679 -3.12014313757 TCL: atom 1: phi = 0.328344379272 TCL: Center of mass = 32.1177460126 -0.588522989662 -3.12017202502 TCL: atom 1: phi = 0.328053841182 TCL: Center of mass = 32.1208738463 -0.58854406001 -3.12020615133 TCL: atom 1: phi = 0.327857739492 TCL: Center of mass = 32.12400129 -0.588555035289 -3.12024124797 TCL: atom 1: phi = 0.327394161646 TCL: Center of mass = 32.1271324189 -0.588573820956 -3.12027967974 TCL: atom 1: phi = 0.327121384939 TCL: Center of mass = 32.1302602779 -0.588582756078 -3.12032953846 TCL: atom 1: phi = 0.326603526961 TCL: Center of mass = 32.1333847078 -0.588577251317 -3.12037332317 TCL: atom 1: phi = 0.326243739169 TCL: Center of mass = 32.1365086289 -0.588563627204 -3.12040987947 TCL: atom 1: phi = 0.325686162283 TCL: Center of mass = 32.1396377619 -0.588555008714 -3.12045981368 TCL: atom 1: phi = 0.325349612515 TCL: Center of mass = 32.1427725205 -0.588548554845 -3.12050667257 TCL: atom 1: phi = 0.324807884331 TCL: Center of mass = 32.1459023692 -0.588542138204 -3.12054693693 TCL: atom 1: phi = 0.324512716089 TCL: Center of mass = 32.1490279719 -0.588533390198 -3.12058885233 TCL: atom 1: phi = 0.324095536759 TCL: Center of mass = 32.1521574882 -0.588518818352 -3.12062291931 TCL: atom 1: phi = 0.323952232853 TCL: Center of mass = 32.155287146 -0.58850921364 -3.12066174361 TCL: atom 1: phi = 0.323681712088 TCL: Center of mass = 32.158411005 -0.588482103012 -3.12069835031 TCL: atom 1: phi = 0.323651218575 TCL: Center of mass = 32.16153224 -0.588449768077 -3.12072838048 TCL: atom 1: phi = 0.323475838936 TCL: Center of mass = 32.1646422669 -0.588421816385 -3.12076430345 TCL: atom 1: phi = 0.323545384613 TCL: Center of mass = 32.1677505133 -0.588376986433 -3.12079181417 TCL: atom 1: phi = 0.323336011392 TCL: Center of mass = 32.170861738 -0.588312983249 -3.12081469096 TCL: atom 1: phi = 0.323332950992 TCL: Center of mass = 32.173983774 -0.588257342102 -3.12084270731 TCL: atom 1: phi = 0.323099860084 TCL: Center of mass = 32.1771061238 -0.588209573897 -3.12086876286 TCL: atom 1: phi = 0.323060459486 TCL: Center of mass = 32.1802283466 -0.588172479931 -3.12088847702 TCL: atom 1: phi = 0.322734887349 TCL: Center of mass = 32.1833488743 -0.588136408455 -3.12090221334 TCL: atom 1: phi = 0.322609948976 TIMING: 11400 CPU: 1952.9, 0.173164/step Wall: 2386.82, 0.210559/step, 0.503003 hours remaining, 22001 kB of memory in use. ENERGY: 11400 390.2512 685.2177 424.1073 51.9115 -2761.9299 -213.6131 0.0000 0.0000 1161.6570 -262.3983 316.5840 -254.2136 -252.6404 315.7448 169.8233 300.5032 64000.0000 732.8310 725.7318 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11400 WRITING COORDINATES TO DCD FILE AT STEP 11400 WRITING COORDINATES TO RESTART FILE AT STEP 11400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 32.1864655566 -0.58810158592 -3.12091495466 TCL: atom 1: phi = 0.3222544271 TCL: Center of mass = 32.1895957525 -0.588074578536 -3.12093398766 TCL: atom 1: phi = 0.32209890428 TCL: Center of mass = 32.1927218386 -0.588049555346 -3.12096563414 TCL: atom 1: phi = 0.321683502549 TCL: Center of mass = 32.1958436766 -0.588025073489 -3.12099488599 TCL: atom 1: phi = 0.321545214933 TCL: Center of mass = 32.1989735858 -0.588005542327 -3.12101333261 TCL: atom 1: phi = 0.321226717844 TCL: Center of mass = 32.202103988 -0.587994272374 -3.12103064416 TCL: atom 1: phi = 0.32119543387 TCL: Center of mass = 32.2052305272 -0.587982620983 -3.12105336746 TCL: atom 1: phi = 0.321067130968 TCL: Center of mass = 32.2083488657 -0.587974872917 -3.12106970435 TCL: atom 1: phi = 0.321226137388 TCL: Center of mass = 32.2114732229 -0.587963878741 -3.12109226896 TCL: atom 1: phi = 0.321232549359 TCL: Center of mass = 32.2146111852 -0.587949600122 -3.12111966172 TCL: atom 1: phi = 0.321509371211 TCL: Center of mass = 32.2177371062 -0.587940482631 -3.12116038767 TCL: atom 1: phi = 0.321570670521 TCL: Center of mass = 32.2208616559 -0.58792999841 -3.12118655915 TCL: atom 1: phi = 0.321885367159 TCL: Center of mass = 32.2239778525 -0.587915932717 -3.12121639909 TCL: atom 1: phi = 0.321971201539 TCL: Center of mass = 32.2270935473 -0.587911656935 -3.12125937198 TCL: atom 1: phi = 0.322277034418 TCL: Center of mass = 32.2302120365 -0.587911800121 -3.12130627835 TCL: atom 1: phi = 0.32230874222 TCL: Center of mass = 32.2333248467 -0.587906161549 -3.12136194179 TCL: atom 1: phi = 0.32251449478 TCL: Center of mass = 32.2364327563 -0.587883252699 -3.12141522586 TCL: atom 1: phi = 0.322426432451 TCL: Center of mass = 32.2395343108 -0.587843522585 -3.12147138081 TCL: atom 1: phi = 0.322604807625 TCL: Center of mass = 32.2426355199 -0.58780871781 -3.1215328959 TCL: atom 1: phi = 0.32246723958 TCL: Center of mass = 32.2457261616 -0.587785898433 -3.12160492209 TCL: atom 1: phi = 0.322527635149 TCL: Center of mass = 32.2488182001 -0.587770200055 -3.12167535143 TCL: atom 1: phi = 0.322183094838 TCL: Center of mass = 32.2519089825 -0.587742376721 -3.12175441599 TCL: atom 1: phi = 0.322035294475 TCL: Center of mass = 32.2550055606 -0.58770955681 -3.12183005125 TCL: atom 1: phi = 0.321485664033 TCL: Center of mass = 32.2580912304 -0.58767668377 -3.12190434403 TCL: atom 1: phi = 0.321141783034 TCL: Center of mass = 32.2611844635 -0.587654267465 -3.12197485955 TCL: atom 1: phi = 0.320455327108 TCL: Center of mass = 32.2642791026 -0.587630213224 -3.12204407054 TCL: atom 1: phi = 0.320090421 TCL: Center of mass = 32.2673748547 -0.587615123017 -3.12211644752 TCL: atom 1: phi = 0.319485121044 TCL: Center of mass = 32.2704721374 -0.587582518102 -3.12219875293 TCL: atom 1: phi = 0.31928841361 TCL: Center of mass = 32.273573928 -0.587542673245 -3.12230085102 TCL: atom 1: phi = 0.318908131506 TCL: Center of mass = 32.2766855556 -0.587498110962 -3.12239599822 TCL: atom 1: phi = 0.318841451263 TCL: Center of mass = 32.2797993411 -0.587463878521 -3.12248505659 TCL: atom 1: phi = 0.318543923002 TCL: Center of mass = 32.2829050686 -0.587427867067 -3.12258261838 TCL: atom 1: phi = 0.318567321811 TCL: Center of mass = 32.286009178 -0.587396194478 -3.12267537039 TCL: atom 1: phi = 0.318346907091 TCL: Center of mass = 32.2891092182 -0.587372187014 -3.12276447702 TCL: atom 1: phi = 0.318350578292 TCL: Center of mass = 32.2922077931 -0.587352412906 -3.12286424933 TCL: atom 1: phi = 0.318025884363 TCL: Center of mass = 32.2953160113 -0.587338489292 -3.12296355432 TCL: atom 1: phi = 0.317947033045 TCL: Center of mass = 32.2984181283 -0.587315307378 -3.12305041594 TCL: atom 1: phi = 0.317578503323 TCL: Center of mass = 32.3015187184 -0.587285483598 -3.12313830992 TCL: atom 1: phi = 0.317421235988 TCL: Center of mass = 32.3046224457 -0.587247835688 -3.12323424343 TCL: atom 1: phi = 0.316900748019 TCL: Center of mass = 32.3077282847 -0.587214371345 -3.12333463017 TCL: atom 1: phi = 0.316662137005 TCL: Center of mass = 32.3108398803 -0.58717253309 -3.12343139241 TCL: atom 1: phi = 0.316105904228 TCL: Center of mass = 32.3139450164 -0.587123934885 -3.1235318567 TCL: atom 1: phi = 0.315820250447 TCL: Center of mass = 32.317048996 -0.587079211012 -3.12362251826 TCL: atom 1: phi = 0.31529621927 TCL: Center of mass = 32.3201488863 -0.587032251967 -3.1237049913 TCL: atom 1: phi = 0.31500878684 TCL: Center of mass = 32.3232509388 -0.586988305653 -3.12379006616 TCL: atom 1: phi = 0.314379975676 TCL: Center of mass = 32.3263485219 -0.586952171124 -3.12387303525 TCL: atom 1: phi = 0.314021076172 TCL: Center of mass = 32.329448187 -0.586912591662 -3.12395786814 TCL: atom 1: phi = 0.313469190257 TCL: Center of mass = 32.3325448231 -0.586873400066 -3.12404287814 TCL: atom 1: phi = 0.313249327427 TCL: Center of mass = 32.3356377177 -0.586831662629 -3.1241352801 TCL: atom 1: phi = 0.312865592538 TCL: Center of mass = 32.3387267313 -0.586791411811 -3.12423065664 TCL: atom 1: phi = 0.312886373069 TCL: Center of mass = 32.3418077899 -0.586753378335 -3.12432619393 TCL: atom 1: phi = 0.312857655356 TCL: Center of mass = 32.3448750869 -0.586726599583 -3.12441553611 TCL: atom 1: phi = 0.313276075306 TCL: Center of mass = 32.3479361467 -0.586715193306 -3.1245062856 TCL: atom 1: phi = 0.313663805053 TCL: Center of mass = 32.3510005278 -0.586691239599 -3.1245998913 TCL: atom 1: phi = 0.314450179937 TCL: Center of mass = 32.3540619095 -0.58666444688 -3.12468831443 TCL: atom 1: phi = 0.315093774097 TCL: Center of mass = 32.3571313227 -0.586638997915 -3.12476768255 TCL: atom 1: phi = 0.316031301544 TCL: Center of mass = 32.3602019997 -0.586616435737 -3.12485514919 TCL: atom 1: phi = 0.316712887211 TCL: Center of mass = 32.3632724601 -0.58659406788 -3.12493871517 TCL: atom 1: phi = 0.317671560321 TCL: Center of mass = 32.3663366866 -0.586570704536 -3.12500937184 TCL: atom 1: phi = 0.318416135131 TCL: Center of mass = 32.3694024573 -0.586547481678 -3.1250772679 TCL: atom 1: phi = 0.319516416078 TCL: Center of mass = 32.3724650337 -0.586533344174 -3.1251362066 TCL: atom 1: phi = 0.320296312769 TCL: Center of mass = 32.3755282209 -0.586519442531 -3.12518908193 TCL: atom 1: phi = 0.321425452777 TCL: Center of mass = 32.378602549 -0.586506747886 -3.12524383599 TCL: atom 1: phi = 0.322265691582 TCL: Center of mass = 32.3816880377 -0.586490053972 -3.12529293372 TCL: atom 1: phi = 0.323399463587 TCL: Center of mass = 32.3847673079 -0.586479575048 -3.12533460354 TCL: atom 1: phi = 0.324117685845 TCL: Center of mass = 32.3878505499 -0.586471769505 -3.12537486299 TCL: atom 1: phi = 0.325075102239 TCL: Center of mass = 32.3909493762 -0.58646196915 -3.1253999192 TCL: atom 1: phi = 0.325504205734 TCL: Center of mass = 32.39404311 -0.586445889753 -3.1254159738 TCL: atom 1: phi = 0.326158154593 TCL: Center of mass = 32.3971430287 -0.586433309498 -3.12544101106 TCL: atom 1: phi = 0.326314272418 TCL: Center of mass = 32.4002434999 -0.586418155901 -3.12545395161 TCL: atom 1: phi = 0.326746691148 TCL: Center of mass = 32.4033511276 -0.586402160912 -3.12546182399 TCL: atom 1: phi = 0.326712585453 TCL: Center of mass = 32.4064547699 -0.586396089456 -3.12547397833 TCL: atom 1: phi = 0.32697147556 TCL: Center of mass = 32.4095723996 -0.586385712347 -3.12548732427 TCL: atom 1: phi = 0.326690741222 TCL: Center of mass = 32.4127091592 -0.586365318887 -3.12551052273 TCL: atom 1: phi = 0.326704558169 TCL: Center of mass = 32.415844606 -0.586342038495 -3.1255324821 TCL: atom 1: phi = 0.326171225379 TCL: Center of mass = 32.4189828618 -0.586316099017 -3.12555751945 TCL: atom 1: phi = 0.325891206076 TCL: Center of mass = 32.4221308906 -0.586300913779 -3.12557599463 TCL: atom 1: phi = 0.32508216962 TCL: Center of mass = 32.4252848831 -0.586278146005 -3.12559924712 TCL: atom 1: phi = 0.324552751893 TCL: Center of mass = 32.4284305914 -0.586253533272 -3.12562436911 TCL: atom 1: phi = 0.323621568133 TCL: Center of mass = 32.4315757593 -0.586232771239 -3.12565449828 TCL: atom 1: phi = 0.323083945282 TCL: Center of mass = 32.4347214739 -0.586218348836 -3.12567317464 TCL: atom 1: phi = 0.322255215835 TCL: Center of mass = 32.4378643954 -0.586208991839 -3.12569832443 TCL: atom 1: phi = 0.321858461941 TCL: Center of mass = 32.4410052894 -0.586201643936 -3.12574180552 TCL: atom 1: phi = 0.321205367052 TCL: Center of mass = 32.4441456732 -0.58619450492 -3.12577422637 TCL: atom 1: phi = 0.321035665992 TCL: Center of mass = 32.4472865817 -0.586197407597 -3.12579732137 TCL: atom 1: phi = 0.320603190661 TCL: Center of mass = 32.4504401896 -0.586199307243 -3.12583686551 TCL: atom 1: phi = 0.320559492246 TCL: Center of mass = 32.4535879514 -0.586197660498 -3.12589058354 TCL: atom 1: phi = 0.320206180717 TCL: Center of mass = 32.4567224158 -0.586188840686 -3.12593958474 TCL: atom 1: phi = 0.320316354435 TCL: Center of mass = 32.459863801 -0.586174384611 -3.12598556695 TCL: atom 1: phi = 0.320186915763 TCL: Center of mass = 32.4629954614 -0.586165283412 -3.12602623853 TCL: atom 1: phi = 0.32051756568 TCL: Center of mass = 32.4661385777 -0.586161376203 -3.12607627166 TCL: atom 1: phi = 0.320591794831 TCL: Center of mass = 32.4692872034 -0.586156070314 -3.1261345265 TCL: atom 1: phi = 0.321019024639 TCL: Center of mass = 32.4724411098 -0.58615842515 -3.12618685362 TCL: atom 1: phi = 0.321029977592 TCL: Center of mass = 32.4755969646 -0.586153368202 -3.12623311393 TCL: atom 1: phi = 0.321256397001 TCL: Center of mass = 32.4787537641 -0.58613391865 -3.12627889483 TCL: atom 1: phi = 0.320997784195 TCL: Center of mass = 32.4819146287 -0.586129135126 -3.12632693902 TCL: atom 1: phi = 0.32091900967 TCL: Center of mass = 32.4850750932 -0.586124232002 -3.12637124526 TCL: atom 1: phi = 0.320473392401 TCL: Center of mass = 32.4882373236 -0.586128421132 -3.12640626741 TCL: atom 1: phi = 0.320335744508 TCL: Center of mass = 32.4913977511 -0.586121908175 -3.12644620908 TCL: atom 1: phi = 0.319881649281 TCL: Center of mass = 32.4945525273 -0.586116858243 -3.12647658607 TCL: atom 1: phi = 0.319765180024 TIMING: 11500 CPU: 1970.1, 0.172004/step Wall: 2407.88, 0.210644/step, 0.497355 hours remaining, 22001 kB of memory in use. ENERGY: 11500 422.9241 702.4304 405.3833 48.3531 -2782.0212 -217.6685 0.0000 0.0000 1175.4458 -245.1530 320.3419 -236.2424 -237.4660 318.3592 381.2850 413.7212 64000.0000 745.8976 751.3411 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11500 WRITING COORDINATES TO DCD FILE AT STEP 11500 WRITING COORDINATES TO RESTART FILE AT STEP 11500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 32.4977036886 -0.586103574165 -3.12650327927 TCL: atom 1: phi = 0.319304713317 TCL: Center of mass = 32.5008552036 -0.586090496741 -3.12652037194 TCL: atom 1: phi = 0.319144519126 TCL: Center of mass = 32.5040150746 -0.586077593163 -3.12653836686 TCL: atom 1: phi = 0.318653776574 TCL: Center of mass = 32.5071648124 -0.586073335983 -3.12656098249 TCL: atom 1: phi = 0.318400517087 TCL: Center of mass = 32.5103080256 -0.58607374788 -3.12659634499 TCL: atom 1: phi = 0.317768310453 TCL: Center of mass = 32.5134409948 -0.58607878688 -3.12663795283 TCL: atom 1: phi = 0.317413143157 TCL: Center of mass = 32.5165790303 -0.586091512622 -3.12668113894 TCL: atom 1: phi = 0.31680262788 TCL: Center of mass = 32.5197161201 -0.58610124304 -3.12672305903 TCL: atom 1: phi = 0.31650603114 TCL: Center of mass = 32.5228512866 -0.5861211237 -3.12677072136 TCL: atom 1: phi = 0.316096702728 TCL: Center of mass = 32.5259891786 -0.586126572542 -3.12681131912 TCL: atom 1: phi = 0.31606429525 TCL: Center of mass = 32.5291283443 -0.586142385746 -3.12684289855 TCL: atom 1: phi = 0.31592411403 TCL: Center of mass = 32.5322672016 -0.586155909114 -3.12687431297 TCL: atom 1: phi = 0.316084438561 TCL: Center of mass = 32.5354003174 -0.586164770156 -3.12690277823 TCL: atom 1: phi = 0.316099221015 TCL: Center of mass = 32.5385318355 -0.58617736599 -3.12693090076 TCL: atom 1: phi = 0.316392383502 TCL: Center of mass = 32.5416653402 -0.586172183511 -3.12696137461 TCL: atom 1: phi = 0.316439342703 TCL: Center of mass = 32.5447994357 -0.586174272706 -3.12699721873 TCL: atom 1: phi = 0.316599567139 TCL: Center of mass = 32.547946364 -0.586168347377 -3.12703424927 TCL: atom 1: phi = 0.316480596838 TCL: Center of mass = 32.5510894737 -0.586166351124 -3.12707509197 TCL: atom 1: phi = 0.31655983752 TCL: Center of mass = 32.5542442181 -0.586165107648 -3.12711994564 TCL: atom 1: phi = 0.316388718821 TCL: Center of mass = 32.557401319 -0.586162840604 -3.12716813413 TCL: atom 1: phi = 0.31642306538 TCL: Center of mass = 32.5605665052 -0.586161363712 -3.1272060682 TCL: atom 1: phi = 0.31620585978 TCL: Center of mass = 32.5637226328 -0.586156072099 -3.12724935846 TCL: atom 1: phi = 0.316252169619 TCL: Center of mass = 32.5668835867 -0.58614274803 -3.12728530992 TCL: atom 1: phi = 0.31611766309 TCL: Center of mass = 32.5700433195 -0.586135310204 -3.12730965157 TCL: atom 1: phi = 0.31622812611 TCL: Center of mass = 32.5732027917 -0.586126804355 -3.12732469877 TCL: atom 1: phi = 0.316136297231 TCL: Center of mass = 32.5763666814 -0.586113646714 -3.12732974099 TCL: atom 1: phi = 0.316328245705 TCL: Center of mass = 32.5795411709 -0.58609358742 -3.12733469968 TCL: atom 1: phi = 0.316285218211 TCL: Center of mass = 32.5827130298 -0.5860817635 -3.12733724258 TCL: atom 1: phi = 0.316561804652 TCL: Center of mass = 32.5859019535 -0.586073819749 -3.12734871913 TCL: atom 1: phi = 0.316677638209 TCL: Center of mass = 32.5890735553 -0.586071995191 -3.12736328793 TCL: atom 1: phi = 0.317123852761 TCL: Center of mass = 32.592241688 -0.586066868928 -3.12737869698 TCL: atom 1: phi = 0.317440974745 TCL: Center of mass = 32.595416609 -0.586053569782 -3.12740312288 TCL: atom 1: phi = 0.318139437789 TCL: Center of mass = 32.5985855378 -0.586042595797 -3.12742681072 TCL: atom 1: phi = 0.318594506977 TCL: Center of mass = 32.6017573686 -0.586039272801 -3.12745635243 TCL: atom 1: phi = 0.319241426836 TCL: Center of mass = 32.6049192838 -0.586049849777 -3.12749195351 TCL: atom 1: phi = 0.319543550703 TCL: Center of mass = 32.6080743368 -0.586061790695 -3.12752811532 TCL: atom 1: phi = 0.32000983222 TCL: Center of mass = 32.6112323437 -0.586078370079 -3.1275559239 TCL: atom 1: phi = 0.320089920315 TCL: Center of mass = 32.6143860139 -0.586096492575 -3.12758054018 TCL: atom 1: phi = 0.320297953154 TCL: Center of mass = 32.6175429098 -0.586110562285 -3.12761318454 TCL: atom 1: phi = 0.320169309544 TCL: Center of mass = 32.6206979611 -0.586117035856 -3.12764283483 TCL: atom 1: phi = 0.320172395028 TCL: Center of mass = 32.6238513585 -0.586119621521 -3.12765714032 TCL: atom 1: phi = 0.319873410111 TCL: Center of mass = 32.627003962 -0.586128959775 -3.127665395 TCL: atom 1: phi = 0.319751882444 TCL: Center of mass = 32.6301566701 -0.586137029647 -3.12767008244 TCL: atom 1: phi = 0.31935669381 TCL: Center of mass = 32.6333017927 -0.586153133483 -3.12768818832 TCL: atom 1: phi = 0.319092902758 TCL: Center of mass = 32.6364568676 -0.586166163061 -3.1276942594 TCL: atom 1: phi = 0.318471403359 TCL: Center of mass = 32.6396050851 -0.586185137072 -3.12770459407 TCL: atom 1: phi = 0.317924034159 TCL: Center of mass = 32.6427622146 -0.586198174973 -3.12771008992 TCL: atom 1: phi = 0.317038672094 TCL: Center of mass = 32.6459218737 -0.586212875936 -3.12770925238 TCL: atom 1: phi = 0.31619899041 TCL: Center of mass = 32.6490789408 -0.586228694632 -3.12771523616 TCL: atom 1: phi = 0.315022980871 TCL: Center of mass = 32.6522361398 -0.58625736492 -3.12772090849 TCL: atom 1: phi = 0.313958774883 TCL: Center of mass = 32.6554095458 -0.58629494283 -3.12772496492 TCL: atom 1: phi = 0.312710364955 TCL: Center of mass = 32.6585737769 -0.586336580679 -3.1277461537 TCL: atom 1: phi = 0.311692301125 TCL: Center of mass = 32.661743644 -0.586373134361 -3.12777004508 TCL: atom 1: phi = 0.310586800799 TCL: Center of mass = 32.6649119445 -0.586422633007 -3.12779927099 TCL: atom 1: phi = 0.30970121185 TCL: Center of mass = 32.6680857217 -0.586472682842 -3.12783885517 TCL: atom 1: phi = 0.308594281945 TCL: Center of mass = 32.6712630667 -0.586520965339 -3.12788287285 TCL: atom 1: phi = 0.307678725326 TCL: Center of mass = 32.674446042 -0.586564491351 -3.12791908474 TCL: atom 1: phi = 0.306595329267 TCL: Center of mass = 32.6776214628 -0.586602789633 -3.12794922005 TCL: atom 1: phi = 0.305590329048 TCL: Center of mass = 32.6807837673 -0.586639483964 -3.12797260284 TCL: atom 1: phi = 0.304461754989 TCL: Center of mass = 32.6839611477 -0.586675307976 -3.12799833181 TCL: atom 1: phi = 0.303529854365 TCL: Center of mass = 32.6871310231 -0.586721215205 -3.12801700549 TCL: atom 1: phi = 0.302531378735 TCL: Center of mass = 32.6903114019 -0.586771322039 -3.12804274861 TCL: atom 1: phi = 0.301811084402 TCL: Center of mass = 32.6934954965 -0.586808614113 -3.1280657421 TCL: atom 1: phi = 0.30108130799 TCL: Center of mass = 32.6966839269 -0.586859179321 -3.1280965137 TCL: atom 1: phi = 0.300651308857 TCL: Center of mass = 32.6998762793 -0.586909582344 -3.12812110773 TCL: atom 1: phi = 0.30020666058 TCL: Center of mass = 32.7030760189 -0.586958738998 -3.12814288188 TCL: atom 1: phi = 0.299955764084 TCL: Center of mass = 32.7062701361 -0.587009632465 -3.12816764222 TCL: atom 1: phi = 0.299587552611 TCL: Center of mass = 32.7094544583 -0.587058643787 -3.12819692261 TCL: atom 1: phi = 0.299373382785 TCL: Center of mass = 32.7126314581 -0.587110357115 -3.12822270515 TCL: atom 1: phi = 0.299111809943 TCL: Center of mass = 32.7158204753 -0.587164861068 -3.12824223892 TCL: atom 1: phi = 0.2990425183 TCL: Center of mass = 32.7190131141 -0.587233309038 -3.12825341921 TCL: atom 1: phi = 0.298979177354 TCL: Center of mass = 32.7222148379 -0.587319027898 -3.12826632338 TCL: atom 1: phi = 0.2992097657 TCL: Center of mass = 32.7254181948 -0.58740725589 -3.12827768754 TCL: atom 1: phi = 0.299496911955 TCL: Center of mass = 32.7286212718 -0.587481433933 -3.12829619656 TCL: atom 1: phi = 0.30013805461 TCL: Center of mass = 32.7318238162 -0.587533581802 -3.12832554535 TCL: atom 1: phi = 0.300733694148 TCL: Center of mass = 32.7350348264 -0.587593984075 -3.12834508458 TCL: atom 1: phi = 0.301567625452 TCL: Center of mass = 32.7382476769 -0.587667345805 -3.12836628501 TCL: atom 1: phi = 0.302274437688 TCL: Center of mass = 32.7414655055 -0.587737518254 -3.1284043248 TCL: atom 1: phi = 0.303105497256 TCL: Center of mass = 32.7446767882 -0.587802201386 -3.12844125878 TCL: atom 1: phi = 0.303758358849 TCL: Center of mass = 32.7478891377 -0.587868043492 -3.12848104038 TCL: atom 1: phi = 0.304640030449 TCL: Center of mass = 32.7510993207 -0.587931969615 -3.12851054172 TCL: atom 1: phi = 0.305352629369 TCL: Center of mass = 32.7543070837 -0.587995206246 -3.12854283134 TCL: atom 1: phi = 0.306377313638 TCL: Center of mass = 32.757524147 -0.588059595782 -3.12858154755 TCL: atom 1: phi = 0.307306329964 TCL: Center of mass = 32.7607340343 -0.588120781035 -3.12861935229 TCL: atom 1: phi = 0.30855766945 TCL: Center of mass = 32.7639526967 -0.588171789158 -3.12865687726 TCL: atom 1: phi = 0.309553591082 TCL: Center of mass = 32.7671697199 -0.588226601951 -3.12870170125 TCL: atom 1: phi = 0.310784313388 TCL: Center of mass = 32.77038885 -0.58828107768 -3.1287427806 TCL: atom 1: phi = 0.311651068668 TCL: Center of mass = 32.7736162794 -0.588328253469 -3.12878825664 TCL: atom 1: phi = 0.312648703105 TCL: Center of mass = 32.7768474401 -0.588369115193 -3.12882860535 TCL: atom 1: phi = 0.3132225636 TCL: Center of mass = 32.7800657452 -0.588403961079 -3.12886872192 TCL: atom 1: phi = 0.313957526275 TCL: Center of mass = 32.7832847765 -0.588440913154 -3.12891150374 TCL: atom 1: phi = 0.314282840651 TCL: Center of mass = 32.7865006518 -0.588465288643 -3.12896219741 TCL: atom 1: phi = 0.31474769355 TCL: Center of mass = 32.7897192676 -0.588489433759 -3.12902082842 TCL: atom 1: phi = 0.314684433826 TCL: Center of mass = 32.7929383291 -0.588499241345 -3.12907899742 TCL: atom 1: phi = 0.314770271034 TCL: Center of mass = 32.7961509338 -0.588506677896 -3.12913941756 TCL: atom 1: phi = 0.314310674981 TCL: Center of mass = 32.7993747583 -0.588507273814 -3.12921103059 TCL: atom 1: phi = 0.313948749478 TCL: Center of mass = 32.8025964083 -0.588497567915 -3.12928351858 TCL: atom 1: phi = 0.313074682035 TCL: Center of mass = 32.8058160306 -0.588476481939 -3.12935757919 TCL: atom 1: phi = 0.312385151693 TCL: Center of mass = 32.809038041 -0.588465362416 -3.12944176129 TCL: atom 1: phi = 0.311332423574 TCL: Center of mass = 32.8122556737 -0.588457571926 -3.12953368178 TCL: atom 1: phi = 0.310567235565 TIMING: 11600 CPU: 1987.3, 0.171994/step Wall: 2428.94, 0.210598/step, 0.491395 hours remaining, 22001 kB of memory in use. ENERGY: 11600 404.5434 674.3949 414.5639 46.8737 -2756.8435 -220.0720 0.0000 0.0000 1211.1792 -225.3604 330.0802 -216.4474 -217.0584 321.3461 1188.8702 976.4705 64000.0000 655.8619 656.9605 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11600 WRITING COORDINATES TO DCD FILE AT STEP 11600 WRITING COORDINATES TO RESTART FILE AT STEP 11600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 32.8154682701 -0.588454143176 -3.12962123448 TCL: atom 1: phi = 0.309563764441 TCL: Center of mass = 32.818684505 -0.588453530748 -3.12971442121 TCL: atom 1: phi = 0.308962340983 TCL: Center of mass = 32.8218982066 -0.588460470124 -3.12981420757 TCL: atom 1: phi = 0.308178965662 TCL: Center of mass = 32.8251134449 -0.588480074452 -3.12990868693 TCL: atom 1: phi = 0.307794231083 TCL: Center of mass = 32.8283277829 -0.588490434138 -3.13001327674 TCL: atom 1: phi = 0.307296634886 TCL: Center of mass = 32.8315496891 -0.588504132836 -3.13011383559 TCL: atom 1: phi = 0.307236106114 TCL: Center of mass = 32.8347668194 -0.588509425321 -3.1302091964 TCL: atom 1: phi = 0.307030500737 TCL: Center of mass = 32.8379911552 -0.588508453553 -3.13030491269 TCL: atom 1: phi = 0.307173479877 TCL: Center of mass = 32.8412173384 -0.588507787536 -3.13040680513 TCL: atom 1: phi = 0.307120637862 TCL: Center of mass = 32.8444484496 -0.588495681254 -3.13051220472 TCL: atom 1: phi = 0.307382678568 TCL: Center of mass = 32.8476712856 -0.588470610623 -3.13062940976 TCL: atom 1: phi = 0.307435128318 TCL: Center of mass = 32.850893127 -0.58844311361 -3.13075131222 TCL: atom 1: phi = 0.307797139152 TCL: Center of mass = 32.854112526 -0.588418858873 -3.13087308028 TCL: atom 1: phi = 0.307882073444 TCL: Center of mass = 32.8573354069 -0.58839940367 -3.13099202001 TCL: atom 1: phi = 0.308159135073 TCL: Center of mass = 32.8605603207 -0.588379898105 -3.13111699923 TCL: atom 1: phi = 0.308081391736 TCL: Center of mass = 32.8637861981 -0.588348817966 -3.13124278636 TCL: atom 1: phi = 0.308285918983 TCL: Center of mass = 32.8670029072 -0.588321802915 -3.13136425265 TCL: atom 1: phi = 0.308094697053 TCL: Center of mass = 32.8702196189 -0.588283749495 -3.13148998902 TCL: atom 1: phi = 0.308051409222 TCL: Center of mass = 32.8734311509 -0.588249554232 -3.13161735116 TCL: atom 1: phi = 0.307582462494 TCL: Center of mass = 32.8766461259 -0.5882240991 -3.13174799207 TCL: atom 1: phi = 0.307232771981 TCL: Center of mass = 32.8798564379 -0.588195901027 -3.13187672105 TCL: atom 1: phi = 0.306488990491 TCL: Center of mass = 32.8830670087 -0.588160543761 -3.13201056991 TCL: atom 1: phi = 0.305956157401 TCL: Center of mass = 32.8862775462 -0.588121511082 -3.13214710383 TCL: atom 1: phi = 0.305176124575 TCL: Center of mass = 32.8894859584 -0.588093879842 -3.13227016578 TCL: atom 1: phi = 0.304657164317 TCL: Center of mass = 32.8927039739 -0.588059433508 -3.13239095507 TCL: atom 1: phi = 0.303920957732 TCL: Center of mass = 32.8959185647 -0.588033517648 -3.13251553552 TCL: atom 1: phi = 0.30345165949 TCL: Center of mass = 32.8991512071 -0.58800393134 -3.13263677634 TCL: atom 1: phi = 0.302780981616 TCL: Center of mass = 32.9023840385 -0.587972150193 -3.1327693186 TCL: atom 1: phi = 0.302344513698 TCL: Center of mass = 32.9056175235 -0.587944112771 -3.13289699912 TCL: atom 1: phi = 0.301675962194 TCL: Center of mass = 32.9088591235 -0.587921902504 -3.1330179275 TCL: atom 1: phi = 0.301175003583 TCL: Center of mass = 32.9121064234 -0.587905374399 -3.13313646066 TCL: atom 1: phi = 0.300407283035 TCL: Center of mass = 32.9153537901 -0.587880177993 -3.13325036132 TCL: atom 1: phi = 0.299819846197 TCL: Center of mass = 32.9186121853 -0.587850650377 -3.13335351561 TCL: atom 1: phi = 0.299050614491 TCL: Center of mass = 32.9218738533 -0.587810529348 -3.13344379106 TCL: atom 1: phi = 0.298566191003 TCL: Center of mass = 32.9251266932 -0.587767821291 -3.13353604887 TCL: atom 1: phi = 0.297954059489 TCL: Center of mass = 32.9283752368 -0.587732924044 -3.13362901032 TCL: atom 1: phi = 0.297597608834 TCL: Center of mass = 32.9316166536 -0.587695143791 -3.13370568341 TCL: atom 1: phi = 0.297130357896 TCL: Center of mass = 32.9348665051 -0.587657411601 -3.13377886435 TCL: atom 1: phi = 0.296895960404 TCL: Center of mass = 32.9381191282 -0.587614659429 -3.13385850078 TCL: atom 1: phi = 0.296467688139 TCL: Center of mass = 32.9413789235 -0.587584276604 -3.1339293846 TCL: atom 1: phi = 0.296190320882 TCL: Center of mass = 32.9446394284 -0.587548125969 -3.13401090953 TCL: atom 1: phi = 0.295728972343 TCL: Center of mass = 32.9478897219 -0.587499815141 -3.1340886825 TCL: atom 1: phi = 0.295548294049 TCL: Center of mass = 32.951147902 -0.587458965332 -3.13416133004 TCL: atom 1: phi = 0.295333238404 TCL: Center of mass = 32.9544161761 -0.587419413947 -3.13423717799 TCL: atom 1: phi = 0.295482116301 TCL: Center of mass = 32.9576737425 -0.58739204364 -3.13431927937 TCL: atom 1: phi = 0.295672217329 TCL: Center of mass = 32.9609299677 -0.58736508384 -3.13441202743 TCL: atom 1: phi = 0.296259167916 TCL: Center of mass = 32.9641830734 -0.587338641794 -3.1345088944 TCL: atom 1: phi = 0.296823012151 TCL: Center of mass = 32.9674476708 -0.587312869374 -3.13459576267 TCL: atom 1: phi = 0.297714687068 TCL: Center of mass = 32.9707076787 -0.5872948904 -3.13469288292 TCL: atom 1: phi = 0.298430891395 TCL: Center of mass = 32.9739619616 -0.587271298758 -3.13478487508 TCL: atom 1: phi = 0.299221366016 TCL: Center of mass = 32.9772120635 -0.587248591582 -3.13489230117 TCL: atom 1: phi = 0.299814822026 TCL: Center of mass = 32.9804583123 -0.587225860689 -3.1350003407 TCL: atom 1: phi = 0.30050688977 TCL: Center of mass = 32.9837126264 -0.587203624312 -3.135100311 TCL: atom 1: phi = 0.300986000738 TCL: Center of mass = 32.986968046 -0.587191658611 -3.13520321962 TCL: atom 1: phi = 0.301644654982 TCL: Center of mass = 32.9902195862 -0.587176935635 -3.13530400988 TCL: atom 1: phi = 0.302191567066 TCL: Center of mass = 32.9934659177 -0.587158170372 -3.13541017597 TCL: atom 1: phi = 0.302963517248 TCL: Center of mass = 32.9967197343 -0.587146695518 -3.13550541098 TCL: atom 1: phi = 0.303581789668 TCL: Center of mass = 32.9999667642 -0.587141528317 -3.13560245849 TCL: atom 1: phi = 0.304319413247 TCL: Center of mass = 33.0032274799 -0.587125223952 -3.13569518093 TCL: atom 1: phi = 0.304779051376 TCL: Center of mass = 33.0064845495 -0.587108305574 -3.13578038185 TCL: atom 1: phi = 0.305247012556 TCL: Center of mass = 33.0097464822 -0.587071379943 -3.13586432054 TCL: atom 1: phi = 0.305383767631 TCL: Center of mass = 33.0130031858 -0.587031913117 -3.13594818243 TCL: atom 1: phi = 0.305670718866 TCL: Center of mass = 33.0162683904 -0.58699169065 -3.13603706797 TCL: atom 1: phi = 0.30576695402 TCL: Center of mass = 33.0195224297 -0.586948514252 -3.13614190882 TCL: atom 1: phi = 0.306188835289 TCL: Center of mass = 33.0227781785 -0.586896743059 -3.13624959021 TCL: atom 1: phi = 0.306568454228 TCL: Center of mass = 33.0260381957 -0.586852278272 -3.13636643921 TCL: atom 1: phi = 0.307256750759 TCL: Center of mass = 33.0293057546 -0.586806141963 -3.13647618073 TCL: atom 1: phi = 0.30788330073 TCL: Center of mass = 33.0325882945 -0.58676648183 -3.13659366789 TCL: atom 1: phi = 0.308736496832 TCL: Center of mass = 33.035879296 -0.586720150647 -3.13671116523 TCL: atom 1: phi = 0.309394717574 TCL: Center of mass = 33.0391762831 -0.58668907255 -3.13684082387 TCL: atom 1: phi = 0.310239174196 TCL: Center of mass = 33.0424810197 -0.586654040888 -3.13697253795 TCL: atom 1: phi = 0.310814881172 TCL: Center of mass = 33.0457798697 -0.586631915422 -3.13710287066 TCL: atom 1: phi = 0.311459701447 TCL: Center of mass = 33.0490726612 -0.586614624907 -3.13723374397 TCL: atom 1: phi = 0.311761138475 TCL: Center of mass = 33.0523636393 -0.586604432488 -3.1373668272 TCL: atom 1: phi = 0.312254047134 TCL: Center of mass = 33.0556615965 -0.586571800711 -3.13749279252 TCL: atom 1: phi = 0.312569294622 TCL: Center of mass = 33.0589545519 -0.586548544872 -3.13761349765 TCL: atom 1: phi = 0.313102369868 TCL: Center of mass = 33.0622525503 -0.586528963337 -3.13774170477 TCL: atom 1: phi = 0.31344557875 TCL: Center of mass = 33.0655434691 -0.586517516974 -3.13788200027 TCL: atom 1: phi = 0.313966946671 TCL: Center of mass = 33.0688345241 -0.586511093767 -3.13801890179 TCL: atom 1: phi = 0.314239023419 TCL: Center of mass = 33.0721375709 -0.586496996342 -3.13815637893 TCL: atom 1: phi = 0.314610209043 TCL: Center of mass = 33.0754423673 -0.586466593576 -3.13828489358 TCL: atom 1: phi = 0.314562480967 TCL: Center of mass = 33.0787550064 -0.58644035568 -3.13840621312 TCL: atom 1: phi = 0.31464189101 TCL: Center of mass = 33.0820733039 -0.586410294781 -3.13852411117 TCL: atom 1: phi = 0.314506579565 TCL: Center of mass = 33.0853980808 -0.586384068506 -3.13865579912 TCL: atom 1: phi = 0.314667768443 TCL: Center of mass = 33.0887300072 -0.586361117823 -3.13877419201 TCL: atom 1: phi = 0.314719775756 TCL: Center of mass = 33.0920588346 -0.586345314698 -3.13890557246 TCL: atom 1: phi = 0.315181660085 TCL: Center of mass = 33.0953712288 -0.586323425343 -3.13903228605 TCL: atom 1: phi = 0.315552727128 TCL: Center of mass = 33.0986899355 -0.586312123445 -3.13916303049 TCL: atom 1: phi = 0.31631392287 TCL: Center of mass = 33.102012161 -0.586286454339 -3.13930402343 TCL: atom 1: phi = 0.316910139996 TCL: Center of mass = 33.1053431129 -0.586258680897 -3.13945255777 TCL: atom 1: phi = 0.317785471769 TCL: Center of mass = 33.1086755811 -0.586231140018 -3.13960393372 TCL: atom 1: phi = 0.318298528565 TCL: Center of mass = 33.1120084992 -0.586208309206 -3.13975013183 TCL: atom 1: phi = 0.318942790561 TCL: Center of mass = 33.1153595736 -0.586177438361 -3.1398951386 TCL: atom 1: phi = 0.319182183591 TCL: Center of mass = 33.1187003783 -0.586147366259 -3.14005878835 TCL: atom 1: phi = 0.319600591462 TCL: Center of mass = 33.1220467668 -0.586127800872 -3.14021174112 TCL: atom 1: phi = 0.319743823275 TCL: Center of mass = 33.1253921253 -0.586115914626 -3.1403565455 TCL: atom 1: phi = 0.320226507671 TCL: Center of mass = 33.1287446627 -0.586109095329 -3.14049813566 TCL: atom 1: phi = 0.32047300317 TCL: Center of mass = 33.1320811485 -0.586102902085 -3.14064184063 TCL: atom 1: phi = 0.321050160947 TCL: Center of mass = 33.1354224569 -0.586100962465 -3.1407888551 TCL: atom 1: phi = 0.321442801155 TCL: Center of mass = 33.1387571433 -0.586105591375 -3.14093713724 TCL: atom 1: phi = 0.322122943775 TIMING: 11700 CPU: 2004.5, 0.171994/step Wall: 2450, 0.210618/step, 0.485592 hours remaining, 22003 kB of memory in use. ENERGY: 11700 395.5938 713.4499 422.7552 37.5678 -2747.4260 -225.8203 0.0000 0.0000 1176.0319 -227.8476 320.5016 -219.5006 -217.8510 324.1304 1053.4779 624.8290 64000.0000 786.9715 789.8076 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11700 WRITING COORDINATES TO DCD FILE AT STEP 11700 WRITING COORDINATES TO RESTART FILE AT STEP 11700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 33.14208842 -0.586109918521 -3.14108678951 TCL: atom 1: phi = 0.322556910504 TCL: Center of mass = 33.1454298865 -0.586127365906 -3.14122067315 TCL: atom 1: phi = 0.323290656567 TCL: Center of mass = 33.1487639733 -0.586145124708 -3.14134415813 TCL: atom 1: phi = 0.323806748413 TCL: Center of mass = 33.1521031785 -0.586168514463 -3.14147874464 TCL: atom 1: phi = 0.324676435909 TCL: Center of mass = 33.1554494463 -0.586187486241 -3.14162043038 TCL: atom 1: phi = 0.325378498071 TCL: Center of mass = 33.1587896649 -0.586196997011 -3.14175607622 TCL: atom 1: phi = 0.326509220991 TCL: Center of mass = 33.16212864 -0.586205547919 -3.14189502859 TCL: atom 1: phi = 0.327469939869 TCL: Center of mass = 33.1654622727 -0.586217432162 -3.14203976725 TCL: atom 1: phi = 0.328814814147 TCL: Center of mass = 33.1688035296 -0.586223392236 -3.14219378301 TCL: atom 1: phi = 0.329837257204 TCL: Center of mass = 33.1721587854 -0.586235439918 -3.14234438232 TCL: atom 1: phi = 0.331129320467 TCL: Center of mass = 33.1755044352 -0.586241815637 -3.14249433166 TCL: atom 1: phi = 0.331995395991 TCL: Center of mass = 33.1788575245 -0.58625027649 -3.14262851995 TCL: atom 1: phi = 0.332991743767 TCL: Center of mass = 33.1822051438 -0.586263318747 -3.14276432909 TCL: atom 1: phi = 0.333416860737 TCL: Center of mass = 33.1855508408 -0.586297229867 -3.14290546826 TCL: atom 1: phi = 0.333946683772 TCL: Center of mass = 33.1888998542 -0.586318148014 -3.14304271084 TCL: atom 1: phi = 0.33387915847 TCL: Center of mass = 33.192249641 -0.586342622583 -3.14319653006 TCL: atom 1: phi = 0.333981334486 TCL: Center of mass = 33.1955970331 -0.586367157922 -3.14334550343 TCL: atom 1: phi = 0.33361230699 TCL: Center of mass = 33.1989400987 -0.586393292306 -3.14349971214 TCL: atom 1: phi = 0.333514133266 TCL: Center of mass = 33.2022898995 -0.586426053503 -3.14365210308 TCL: atom 1: phi = 0.332980838581 TCL: Center of mass = 33.2056393422 -0.586466758214 -3.14379581214 TCL: atom 1: phi = 0.332656499379 TCL: Center of mass = 33.2089995023 -0.586510681649 -3.14394838766 TCL: atom 1: phi = 0.33202089066 TCL: Center of mass = 33.2123717108 -0.586567925576 -3.14410671382 TCL: atom 1: phi = 0.331589808773 TCL: Center of mass = 33.2157511755 -0.586622004988 -3.14426114906 TCL: atom 1: phi = 0.330851543691 TCL: Center of mass = 33.2191203816 -0.586680178003 -3.14441596568 TCL: atom 1: phi = 0.330327461277 TCL: Center of mass = 33.222483629 -0.586731179647 -3.14457089113 TCL: atom 1: phi = 0.329567432738 TCL: Center of mass = 33.2258420607 -0.586785753496 -3.14471905867 TCL: atom 1: phi = 0.329177162572 TCL: Center of mass = 33.2291984519 -0.586841890158 -3.1448707033 TCL: atom 1: phi = 0.328670417317 TCL: Center of mass = 33.2325595868 -0.586903406944 -3.14502875865 TCL: atom 1: phi = 0.328514478755 TCL: Center of mass = 33.2359201935 -0.586954105276 -3.14519532795 TCL: atom 1: phi = 0.328241896509 TCL: Center of mass = 33.2392927332 -0.587005398596 -3.14536684978 TCL: atom 1: phi = 0.328240778038 TCL: Center of mass = 33.2426628602 -0.587051015434 -3.14553322617 TCL: atom 1: phi = 0.327936511828 TCL: Center of mass = 33.2460239803 -0.587090718233 -3.14569328584 TCL: atom 1: phi = 0.327786519804 TCL: Center of mass = 33.2493848507 -0.587128520668 -3.14585025227 TCL: atom 1: phi = 0.327324794344 TCL: Center of mass = 33.2527504468 -0.587161587664 -3.14599104501 TCL: atom 1: phi = 0.326960517614 TCL: Center of mass = 33.2561204609 -0.587190644333 -3.14613544577 TCL: atom 1: phi = 0.326330871411 TCL: Center of mass = 33.2595037774 -0.587212702526 -3.14628233348 TCL: atom 1: phi = 0.325860266185 TCL: Center of mass = 33.2628947517 -0.587228585431 -3.14641972348 TCL: atom 1: phi = 0.325229098303 TCL: Center of mass = 33.2662983589 -0.587246553282 -3.1465545177 TCL: atom 1: phi = 0.324782450533 TCL: Center of mass = 33.2696874713 -0.587258329978 -3.14669153243 TCL: atom 1: phi = 0.324199157465 TCL: Center of mass = 33.2730639099 -0.58726619167 -3.14684189943 TCL: atom 1: phi = 0.323790055062 TCL: Center of mass = 33.2764479477 -0.587288636469 -3.14699895529 TCL: atom 1: phi = 0.323266487653 TCL: Center of mass = 33.2798217624 -0.587325397436 -3.14717199489 TCL: atom 1: phi = 0.322912551505 TCL: Center of mass = 33.2831994579 -0.587374022049 -3.1473443864 TCL: atom 1: phi = 0.322463013237 TCL: Center of mass = 33.2865771269 -0.587416247294 -3.14752471159 TCL: atom 1: phi = 0.322188766055 TCL: Center of mass = 33.2899569323 -0.587466109601 -3.14769235712 TCL: atom 1: phi = 0.321791912925 TCL: Center of mass = 33.2933334504 -0.58750962282 -3.14784791882 TCL: atom 1: phi = 0.321625366252 TCL: Center of mass = 33.2967104422 -0.587549988566 -3.14800932995 TCL: atom 1: phi = 0.321372224585 TCL: Center of mass = 33.3000913836 -0.587593439333 -3.14817220492 TCL: atom 1: phi = 0.32130843285 TCL: Center of mass = 33.3034709237 -0.587643455823 -3.14832346777 TCL: atom 1: phi = 0.321180971978 TCL: Center of mass = 33.3068616508 -0.587688597604 -3.14847320945 TCL: atom 1: phi = 0.32127963534 TCL: Center of mass = 33.3102538325 -0.587729221918 -3.14861262336 TCL: atom 1: phi = 0.321210506552 TCL: Center of mass = 33.3136372242 -0.587767756519 -3.14875644814 TCL: atom 1: phi = 0.321224706668 TCL: Center of mass = 33.3170249885 -0.587805068511 -3.14891414992 TCL: atom 1: phi = 0.321005393443 TCL: Center of mass = 33.3203995849 -0.587843249447 -3.14907101405 TCL: atom 1: phi = 0.320838093652 TCL: Center of mass = 33.3237889507 -0.587888229205 -3.14921421936 TCL: atom 1: phi = 0.320367643334 TCL: Center of mass = 33.3271777857 -0.587932603311 -3.14935533862 TCL: atom 1: phi = 0.320008943659 TCL: Center of mass = 33.3305494471 -0.587982809057 -3.14950293874 TCL: atom 1: phi = 0.319412864112 TCL: Center of mass = 33.333912221 -0.588029471678 -3.14964152598 TCL: atom 1: phi = 0.318935905818 TCL: Center of mass = 33.3372711142 -0.588077812506 -3.14978758466 TCL: atom 1: phi = 0.318249738197 TCL: Center of mass = 33.3406356099 -0.588127091591 -3.14994907069 TCL: atom 1: phi = 0.317739738784 TCL: Center of mass = 33.3439890419 -0.588169988126 -3.15012651439 TCL: atom 1: phi = 0.317096649132 TCL: Center of mass = 33.3473620882 -0.588216770696 -3.15029929714 TCL: atom 1: phi = 0.316777684473 TCL: Center of mass = 33.3507226568 -0.588268002482 -3.15047339974 TCL: atom 1: phi = 0.316387782292 TCL: Center of mass = 33.354082431 -0.588327142842 -3.15066540038 TCL: atom 1: phi = 0.316306846386 TCL: Center of mass = 33.3574391385 -0.58839119059 -3.15085610346 TCL: atom 1: phi = 0.316187873372 TCL: Center of mass = 33.3607895744 -0.58845848373 -3.15105497645 TCL: atom 1: phi = 0.316461152649 TCL: Center of mass = 33.364134804 -0.588521576639 -3.1512617507 TCL: atom 1: phi = 0.316695185171 TCL: Center of mass = 33.3674736333 -0.588585309707 -3.151467694 TCL: atom 1: phi = 0.31736219172 TCL: Center of mass = 33.3708104458 -0.588643675427 -3.15168925814 TCL: atom 1: phi = 0.317988213986 TCL: Center of mass = 33.3741497011 -0.588700537071 -3.151908156 TCL: atom 1: phi = 0.318975829321 TCL: Center of mass = 33.3774925026 -0.588752562946 -3.15212941925 TCL: atom 1: phi = 0.319791997058 TCL: Center of mass = 33.3808289895 -0.588796361326 -3.15234869915 TCL: atom 1: phi = 0.320816884753 TCL: Center of mass = 33.3841752304 -0.588840575446 -3.1525556441 TCL: atom 1: phi = 0.32139515832 TCL: Center of mass = 33.3875170673 -0.588887990435 -3.15276017083 TCL: atom 1: phi = 0.322075934659 TCL: Center of mass = 33.390875123 -0.588936174776 -3.1529691359 TCL: atom 1: phi = 0.322224717996 TCL: Center of mass = 33.3942535694 -0.588988623491 -3.15317701777 TCL: atom 1: phi = 0.322488545668 TCL: Center of mass = 33.3976307378 -0.589035673702 -3.15339527985 TCL: atom 1: phi = 0.322232147016 TCL: Center of mass = 33.4010073868 -0.589082049306 -3.15361225545 TCL: atom 1: phi = 0.322179701131 TCL: Center of mass = 33.4043784704 -0.58913592917 -3.15384749374 TCL: atom 1: phi = 0.321705841102 TCL: Center of mass = 33.4077631459 -0.589194538068 -3.15409476488 TCL: atom 1: phi = 0.321477334566 TCL: Center of mass = 33.411151361 -0.589246266582 -3.1543454852 TCL: atom 1: phi = 0.320884201834 TCL: Center of mass = 33.4145355883 -0.589298913944 -3.15459105285 TCL: atom 1: phi = 0.320641422503 TCL: Center of mass = 33.4179238537 -0.589354573291 -3.15483287036 TCL: atom 1: phi = 0.320061201122 TCL: Center of mass = 33.4213104771 -0.589404115002 -3.15506964908 TCL: atom 1: phi = 0.319782642605 TCL: Center of mass = 33.4246989955 -0.589452565831 -3.15530660192 TCL: atom 1: phi = 0.319147993359 TCL: Center of mass = 33.4280750582 -0.589512342358 -3.15554623029 TCL: atom 1: phi = 0.318856520235 TCL: Center of mass = 33.4314454202 -0.589569060993 -3.15577762636 TCL: atom 1: phi = 0.318316975569 TCL: Center of mass = 33.4348173587 -0.589627942425 -3.15601388115 TCL: atom 1: phi = 0.318092785702 TCL: Center of mass = 33.4381975581 -0.589687864145 -3.15625492579 TCL: atom 1: phi = 0.317638011967 TCL: Center of mass = 33.4415667365 -0.589753285398 -3.15649140561 TCL: atom 1: phi = 0.317570600243 TCL: Center of mass = 33.4449404704 -0.589822477261 -3.15672496725 TCL: atom 1: phi = 0.317313562379 TCL: Center of mass = 33.4483178286 -0.589886939286 -3.15695581837 TCL: atom 1: phi = 0.317413759618 TCL: Center of mass = 33.4517028046 -0.589950247063 -3.15718323394 TCL: atom 1: phi = 0.317251174317 TCL: Center of mass = 33.4551024939 -0.590005999004 -3.15741697533 TCL: atom 1: phi = 0.317261396007 TCL: Center of mass = 33.4585012489 -0.590065770833 -3.15764949614 TCL: atom 1: phi = 0.316911600939 TCL: Center of mass = 33.4619059059 -0.590120418115 -3.15788979607 TCL: atom 1: phi = 0.316720624477 TCL: Center of mass = 33.4653179119 -0.590162779546 -3.1581304573 TCL: atom 1: phi = 0.316226145108 TCL: Center of mass = 33.4687246367 -0.590217067995 -3.15836828142 TCL: atom 1: phi = 0.315962119497 TCL: Center of mass = 33.4721503181 -0.590273125634 -3.15861489177 TCL: atom 1: phi = 0.315490743516 TCL: Center of mass = 33.475575394 -0.590339977144 -3.1588482035 TCL: atom 1: phi = 0.315351874892 TIMING: 11800 CPU: 2021.7, 0.172004/step Wall: 2471.07, 0.210717/step, 0.479966 hours remaining, 22004 kB of memory in use. ENERGY: 11800 410.2402 679.0089 412.9159 44.2837 -2758.8370 -212.4611 0.0000 0.0000 1198.0415 -226.8079 326.4998 -217.8036 -219.1488 324.2760 799.0259 654.0166 64000.0000 830.2731 828.8349 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11800 WRITING COORDINATES TO DCD FILE AT STEP 11800 WRITING COORDINATES TO RESTART FILE AT STEP 11800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 33.4789947592 -0.590399132357 -3.15908226355 TCL: atom 1: phi = 0.315161224521 TCL: Center of mass = 33.4824041039 -0.590453120208 -3.15931311281 TCL: atom 1: phi = 0.315357131156 TCL: Center of mass = 33.485811826 -0.590506186849 -3.15953658337 TCL: atom 1: phi = 0.3155821548 TCL: Center of mass = 33.4892232225 -0.590568115112 -3.15976276979 TCL: atom 1: phi = 0.316190886085 TCL: Center of mass = 33.4926298126 -0.590632954308 -3.15998405509 TCL: atom 1: phi = 0.316778904689 TCL: Center of mass = 33.4960237623 -0.59069415143 -3.16019990208 TCL: atom 1: phi = 0.317720874059 TCL: Center of mass = 33.4994146194 -0.590763485049 -3.16041190841 TCL: atom 1: phi = 0.318616164483 TCL: Center of mass = 33.5028019176 -0.59082279674 -3.16062701901 TCL: atom 1: phi = 0.319833636582 TCL: Center of mass = 33.5061951057 -0.590881951075 -3.16084266639 TCL: atom 1: phi = 0.32092028653 TCL: Center of mass = 33.509587133 -0.590936438136 -3.1610612093 TCL: atom 1: phi = 0.322320018396 TCL: Center of mass = 33.5129817633 -0.590983136221 -3.16127915012 TCL: atom 1: phi = 0.323534337812 TCL: Center of mass = 33.5163737266 -0.591053111585 -3.16149200577 TCL: atom 1: phi = 0.324971219857 TCL: Center of mass = 33.5197649141 -0.591133552859 -3.16170576094 TCL: atom 1: phi = 0.326125707263 TCL: Center of mass = 33.5231677175 -0.591216719698 -3.16192044424 TCL: atom 1: phi = 0.327359917527 TCL: Center of mass = 33.526574275 -0.591303328909 -3.1621335057 TCL: atom 1: phi = 0.32813949779 TCL: Center of mass = 33.5299926804 -0.591381237462 -3.16234351885 TCL: atom 1: phi = 0.328840718586 TCL: Center of mass = 33.5334032659 -0.591455779728 -3.16255751594 TCL: atom 1: phi = 0.329024390051 TCL: Center of mass = 33.5368066671 -0.591530139881 -3.16276713808 TCL: atom 1: phi = 0.329130478257 TCL: Center of mass = 33.5401967303 -0.591606068483 -3.16297385292 TCL: atom 1: phi = 0.328771874478 TCL: Center of mass = 33.5435832422 -0.591676338566 -3.16318420653 TCL: atom 1: phi = 0.328482738594 TCL: Center of mass = 33.5469666113 -0.591749936732 -3.16339784788 TCL: atom 1: phi = 0.327913299296 TCL: Center of mass = 33.5503493945 -0.591838855132 -3.1636163358 TCL: atom 1: phi = 0.327538296533 TCL: Center of mass = 33.5537313092 -0.591934408002 -3.16382085841 TCL: atom 1: phi = 0.327025784111 TCL: Center of mass = 33.5571170723 -0.592036731085 -3.16403876405 TCL: atom 1: phi = 0.32678063094 TCL: Center of mass = 33.5605083958 -0.592148289351 -3.16425877633 TCL: atom 1: phi = 0.326382706324 TCL: Center of mass = 33.5639016034 -0.59226835449 -3.1644728226 TCL: atom 1: phi = 0.326235974981 TCL: Center of mass = 33.5672873313 -0.592390486628 -3.16468427167 TCL: atom 1: phi = 0.325925575881 TCL: Center of mass = 33.5706756676 -0.592515402361 -3.16489787607 TCL: atom 1: phi = 0.325800367225 TCL: Center of mass = 33.5740739714 -0.592640157356 -3.1651140781 TCL: atom 1: phi = 0.325527345326 TCL: Center of mass = 33.5774714864 -0.592771001183 -3.16533545758 TCL: atom 1: phi = 0.325532232181 TCL: Center of mass = 33.5808635323 -0.592895313719 -3.1655469756 TCL: atom 1: phi = 0.325445977248 TCL: Center of mass = 33.5842584652 -0.593014077179 -3.16575743294 TCL: atom 1: phi = 0.325655688115 TCL: Center of mass = 33.587659841 -0.593137421395 -3.16596236268 TCL: atom 1: phi = 0.32573393048 TCL: Center of mass = 33.5910471122 -0.593265766098 -3.16617191184 TCL: atom 1: phi = 0.326070379155 TCL: Center of mass = 33.594445479 -0.593399022701 -3.16638074654 TCL: atom 1: phi = 0.326249971383 TCL: Center of mass = 33.5978420746 -0.593523292883 -3.16658931484 TCL: atom 1: phi = 0.326505112417 TCL: Center of mass = 33.601245854 -0.593651760503 -3.16679820694 TCL: atom 1: phi = 0.326471763397 TCL: Center of mass = 33.6046582912 -0.593781761001 -3.16699646554 TCL: atom 1: phi = 0.32651884288 TCL: Center of mass = 33.608067308 -0.593906071443 -3.16719289887 TCL: atom 1: phi = 0.326331986309 TCL: Center of mass = 33.6114680377 -0.594024488215 -3.16739251943 TCL: atom 1: phi = 0.32627492039 TCL: Center of mass = 33.6148639319 -0.594139331327 -3.16759081435 TCL: atom 1: phi = 0.326107045656 TCL: Center of mass = 33.6182518469 -0.594263831475 -3.16778207145 TCL: atom 1: phi = 0.326176154092 TCL: Center of mass = 33.6216380114 -0.594395337699 -3.16798818389 TCL: atom 1: phi = 0.326235210471 TCL: Center of mass = 33.6250293359 -0.594531408638 -3.16819395883 TCL: atom 1: phi = 0.326612677918 TCL: Center of mass = 33.6284273678 -0.59465722448 -3.1684102031 TCL: atom 1: phi = 0.326976393123 TCL: Center of mass = 33.6318223991 -0.594779260728 -3.16861528259 TCL: atom 1: phi = 0.327574985658 TCL: Center of mass = 33.6352339488 -0.594899063785 -3.16882148029 TCL: atom 1: phi = 0.32809863503 TCL: Center of mass = 33.638651657 -0.595016764368 -3.16904576763 TCL: atom 1: phi = 0.328780927617 TCL: Center of mass = 33.6420712247 -0.595138867958 -3.16927166996 TCL: atom 1: phi = 0.329237060854 TCL: Center of mass = 33.6454887326 -0.59524837713 -3.16951363309 TCL: atom 1: phi = 0.329847290529 TCL: Center of mass = 33.6489129571 -0.59537487197 -3.16975742064 TCL: atom 1: phi = 0.330283716658 TCL: Center of mass = 33.6523308798 -0.595491744741 -3.17001007905 TCL: atom 1: phi = 0.330952852629 TCL: Center of mass = 33.6557579171 -0.595597984854 -3.1702573028 TCL: atom 1: phi = 0.331450099377 TCL: Center of mass = 33.6591790561 -0.595707891325 -3.17050781107 TCL: atom 1: phi = 0.332098662987 TCL: Center of mass = 33.6626018347 -0.59582767424 -3.17075404505 TCL: atom 1: phi = 0.332531287389 TCL: Center of mass = 33.6660205238 -0.59594748649 -3.17099096519 TCL: atom 1: phi = 0.333039662752 TCL: Center of mass = 33.6694331637 -0.596066526885 -3.17122803193 TCL: atom 1: phi = 0.333193702504 TCL: Center of mass = 33.6728326803 -0.596188594105 -3.17145694367 TCL: atom 1: phi = 0.333357066111 TCL: Center of mass = 33.6762415891 -0.596321262002 -3.17169244862 TCL: atom 1: phi = 0.333127563492 TCL: Center of mass = 33.6796545087 -0.5964575664 -3.17192871811 TCL: atom 1: phi = 0.333013904729 TCL: Center of mass = 33.6830634342 -0.596587860927 -3.17218202243 TCL: atom 1: phi = 0.332660429234 TCL: Center of mass = 33.6864742773 -0.596714646221 -3.17242865018 TCL: atom 1: phi = 0.332538131268 TCL: Center of mass = 33.6898903239 -0.596845563125 -3.1726723059 TCL: atom 1: phi = 0.332366056 TCL: Center of mass = 33.6933067626 -0.596970724872 -3.17291424019 TCL: atom 1: phi = 0.332531015377 TCL: Center of mass = 33.6967166598 -0.597077581944 -3.17317080523 TCL: atom 1: phi = 0.332624728857 TCL: Center of mass = 33.7001215709 -0.597176179135 -3.17343435012 TCL: atom 1: phi = 0.332990577209 TCL: Center of mass = 33.7035245809 -0.597274457347 -3.17368833062 TCL: atom 1: phi = 0.333226596566 TCL: Center of mass = 33.7069325619 -0.597363260488 -3.17393490846 TCL: atom 1: phi = 0.333712360844 TCL: Center of mass = 33.7103314828 -0.597445708097 -3.17418477457 TCL: atom 1: phi = 0.334058645283 TCL: Center of mass = 33.7137329878 -0.597529302416 -3.17443417133 TCL: atom 1: phi = 0.334642153272 TCL: Center of mass = 33.7171353784 -0.597610470897 -3.17467589906 TCL: atom 1: phi = 0.335048220893 TCL: Center of mass = 33.7205294545 -0.597686411698 -3.17492157677 TCL: atom 1: phi = 0.335718601365 TCL: Center of mass = 33.7239339429 -0.597769973071 -3.17517409782 TCL: atom 1: phi = 0.336215620768 TCL: Center of mass = 33.7273354005 -0.597832928445 -3.17541392354 TCL: atom 1: phi = 0.337046680909 TCL: Center of mass = 33.7307438494 -0.597897060435 -3.1756531997 TCL: atom 1: phi = 0.337694933392 TCL: Center of mass = 33.7341541384 -0.597953061123 -3.17589977613 TCL: atom 1: phi = 0.338530737981 TCL: Center of mass = 33.7375617905 -0.598001752987 -3.1761469519 TCL: atom 1: phi = 0.339068032828 TCL: Center of mass = 33.7409790014 -0.598049052432 -3.17639404838 TCL: atom 1: phi = 0.33979061986 TCL: Center of mass = 33.7443947521 -0.598103327912 -3.17664083959 TCL: atom 1: phi = 0.340154285863 TCL: Center of mass = 33.7478080062 -0.598160306479 -3.17688939561 TCL: atom 1: phi = 0.340657560865 TCL: Center of mass = 33.7512288609 -0.598214892901 -3.17714357899 TCL: atom 1: phi = 0.340787362079 TCL: Center of mass = 33.7546390587 -0.598251036578 -3.17740353154 TCL: atom 1: phi = 0.341204042219 TCL: Center of mass = 33.7580555422 -0.598303826048 -3.17766906882 TCL: atom 1: phi = 0.341447094626 TCL: Center of mass = 33.7614695646 -0.598359357726 -3.17793843201 TCL: atom 1: phi = 0.342099043779 TCL: Center of mass = 33.7648673278 -0.598413654982 -3.17821419672 TCL: atom 1: phi = 0.342628142558 TCL: Center of mass = 33.7682816894 -0.598457226234 -3.17848615925 TCL: atom 1: phi = 0.343507010619 TCL: Center of mass = 33.7716973464 -0.598499812637 -3.17877055653 TCL: atom 1: phi = 0.344111652551 TCL: Center of mass = 33.7751075661 -0.598547640527 -3.17905250165 TCL: atom 1: phi = 0.344988254329 TCL: Center of mass = 33.7785148882 -0.598595331267 -3.1793365319 TCL: atom 1: phi = 0.345482392687 TCL: Center of mass = 33.7819183023 -0.598642889115 -3.1796118192 TCL: atom 1: phi = 0.346130736314 TCL: Center of mass = 33.7853120895 -0.598689081219 -3.17989575533 TCL: atom 1: phi = 0.346346884669 TCL: Center of mass = 33.7887024422 -0.598735432639 -3.18016884569 TCL: atom 1: phi = 0.346775313578 TCL: Center of mass = 33.7920946581 -0.5987803019 -3.18044320878 TCL: atom 1: phi = 0.346790323323 TCL: Center of mass = 33.7954876572 -0.598816499319 -3.18072102956 TCL: atom 1: phi = 0.346985097008 TCL: Center of mass = 33.7989036977 -0.598860135001 -3.18099308963 TCL: atom 1: phi = 0.346798233881 TCL: Center of mass = 33.8023334739 -0.598910627352 -3.18126688833 TCL: atom 1: phi = 0.346732299115 TCL: Center of mass = 33.805770392 -0.598958613604 -3.18154701187 TCL: atom 1: phi = 0.346136861498 TCL: Center of mass = 33.8092048892 -0.599013623036 -3.18182417467 TCL: atom 1: phi = 0.345586779073 TCL: Center of mass = 33.8126376153 -0.599066616978 -3.18210846495 TCL: atom 1: phi = 0.344500024947 TCL: Center of mass = 33.8160630832 -0.599108422213 -3.18238230621 TCL: atom 1: phi = 0.343517641164 TIMING: 11900 CPU: 2038.89, 0.171924/step Wall: 2492.13, 0.210507/step, 0.473641 hours remaining, 22004 kB of memory in use. ENERGY: 11900 394.8436 663.4266 415.0204 39.6184 -2743.3663 -188.9014 0.0000 0.0000 1176.3007 -243.0581 320.5748 -233.7163 -236.1350 323.0784 655.2340 936.7246 64000.0000 994.8227 993.1802 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 11900 WRITING COORDINATES TO DCD FILE AT STEP 11900 WRITING COORDINATES TO RESTART FILE AT STEP 11900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 11900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 33.8194895531 -0.599138621328 -3.18266219841 TCL: atom 1: phi = 0.342109540697 TCL: Center of mass = 33.8229117703 -0.59918290649 -3.18294014146 TCL: atom 1: phi = 0.34086277472 TCL: Center of mass = 33.8263381371 -0.599244331246 -3.18322025785 TCL: atom 1: phi = 0.33935466343 TCL: Center of mass = 33.8297590764 -0.599306491665 -3.1834902697 TCL: atom 1: phi = 0.338135036464 TCL: Center of mass = 33.8331857327 -0.599386985929 -3.18375798359 TCL: atom 1: phi = 0.336779730815 TCL: Center of mass = 33.8366129565 -0.599474619117 -3.18402776372 TCL: atom 1: phi = 0.335774905742 TCL: Center of mass = 33.8400293461 -0.599576611118 -3.18430935031 TCL: atom 1: phi = 0.334654948448 TCL: Center of mass = 33.8434539059 -0.599671281279 -3.18459282478 TCL: atom 1: phi = 0.333810144494 TCL: Center of mass = 33.8468845148 -0.599773069195 -3.18486937664 TCL: atom 1: phi = 0.332729224871 TCL: Center of mass = 33.8503125334 -0.599873471751 -3.18514874441 TCL: atom 1: phi = 0.331907461507 TCL: Center of mass = 33.8537454544 -0.599982750378 -3.18541478699 TCL: atom 1: phi = 0.330921994395 TCL: Center of mass = 33.8571878969 -0.600089108439 -3.1856850988 TCL: atom 1: phi = 0.330178632516 TCL: Center of mass = 33.8606381184 -0.600216143756 -3.18596031522 TCL: atom 1: phi = 0.329278956859 TCL: Center of mass = 33.8640843915 -0.60035577713 -3.18624034206 TCL: atom 1: phi = 0.328704692948 TCL: Center of mass = 33.867526671 -0.600496693912 -3.18651648313 TCL: atom 1: phi = 0.328105760553 TCL: Center of mass = 33.8709694432 -0.600620306822 -3.18678239315 TCL: atom 1: phi = 0.327839981392 TCL: Center of mass = 33.8744117975 -0.600751402883 -3.18704022861 TCL: atom 1: phi = 0.327487490471 TCL: Center of mass = 33.8778575055 -0.600897946271 -3.18730004475 TCL: atom 1: phi = 0.327383764838 TCL: Center of mass = 33.88131746 -0.601055155253 -3.18757287279 TCL: atom 1: phi = 0.327116034894 TCL: Center of mass = 33.8847691224 -0.601210383848 -3.18785635207 TCL: atom 1: phi = 0.327007780336 TCL: Center of mass = 33.8882226323 -0.601369239295 -3.18814291736 TCL: atom 1: phi = 0.326688765977 TCL: Center of mass = 33.8916779377 -0.601526281013 -3.18843872691 TCL: atom 1: phi = 0.326623856892 TCL: Center of mass = 33.8951210749 -0.601684473318 -3.18874754861 TCL: atom 1: phi = 0.326518016727 TCL: Center of mass = 33.8985502049 -0.601834799982 -3.18904750189 TCL: atom 1: phi = 0.326809876547 TCL: Center of mass = 33.9019882246 -0.601983559322 -3.18934653275 TCL: atom 1: phi = 0.327241500519 TCL: Center of mass = 33.9054246071 -0.602114852716 -3.18964527632 TCL: atom 1: phi = 0.328122252416 TCL: Center of mass = 33.908856012 -0.60224847131 -3.18994217127 TCL: atom 1: phi = 0.329067936828 TCL: Center of mass = 33.9122738907 -0.602400713081 -3.19023431063 TCL: atom 1: phi = 0.330378202982 TCL: Center of mass = 33.9156904445 -0.602547645835 -3.19053705029 TCL: atom 1: phi = 0.331551866344 TCL: Center of mass = 33.9191035586 -0.602686097728 -3.19083763042 TCL: atom 1: phi = 0.332972123051 TCL: Center of mass = 33.9225178166 -0.602826489867 -3.19113635862 TCL: atom 1: phi = 0.33409245973 TCL: Center of mass = 33.9259142924 -0.602967060814 -3.19143085609 TCL: atom 1: phi = 0.335406286233 TCL: Center of mass = 33.9293181084 -0.603111257517 -3.19172027116 TCL: atom 1: phi = 0.336425650782 TCL: Center of mass = 33.9327257727 -0.60326317233 -3.192008313 TCL: atom 1: phi = 0.337647981456 TCL: Center of mass = 33.9361334795 -0.603420119899 -3.1922989058 TCL: atom 1: phi = 0.338666820439 TCL: Center of mass = 33.9395378471 -0.603571106648 -3.19257953938 TCL: atom 1: phi = 0.339930224796 TCL: Center of mass = 33.942958985 -0.603729767508 -3.19286527405 TCL: atom 1: phi = 0.340975063754 TCL: Center of mass = 33.9463760068 -0.603893699463 -3.19315861718 TCL: atom 1: phi = 0.342222914012 TCL: Center of mass = 33.9497909848 -0.604061787031 -3.19344171758 TCL: atom 1: phi = 0.343145283125 TCL: Center of mass = 33.9531991137 -0.604230365458 -3.19373116987 TCL: atom 1: phi = 0.344213219351 TCL: Center of mass = 33.9566017073 -0.60438124544 -3.19402086308 TCL: atom 1: phi = 0.344946537219 TCL: Center of mass = 33.9600029801 -0.604528851801 -3.19430344065 TCL: atom 1: phi = 0.345870545849 TCL: Center of mass = 33.9633928459 -0.604669544656 -3.19458892678 TCL: atom 1: phi = 0.346533862025 TCL: Center of mass = 33.9667829565 -0.604820033087 -3.19487831331 TCL: atom 1: phi = 0.347473207799 TCL: Center of mass = 33.9701671237 -0.604969171626 -3.19518076069 TCL: atom 1: phi = 0.348300614541 TCL: Center of mass = 33.9735410592 -0.605114439879 -3.19547477898 TCL: atom 1: phi = 0.349444884494 TCL: Center of mass = 33.9769088329 -0.605265639459 -3.19577204678 TCL: atom 1: phi = 0.350457582762 TCL: Center of mass = 33.9802750699 -0.605412429011 -3.19607026578 TCL: atom 1: phi = 0.351728074332 TCL: Center of mass = 33.9836479871 -0.605563748832 -3.19635827764 TCL: atom 1: phi = 0.352653396091 TCL: Center of mass = 33.9870320846 -0.605725091283 -3.19666062415 TCL: atom 1: phi = 0.353733581109 TCL: Center of mass = 33.9904273832 -0.605889871031 -3.19696770151 TCL: atom 1: phi = 0.354419151728 TCL: Center of mass = 33.9938181246 -0.606063208391 -3.19727895882 TCL: atom 1: phi = 0.355188279396 TCL: Center of mass = 33.9972047983 -0.606243441097 -3.19759452544 TCL: atom 1: phi = 0.355617256372 TCL: Center of mass = 34.0005961937 -0.606426904376 -3.19791305617 TCL: atom 1: phi = 0.356248057751 TCL: Center of mass = 34.0039960713 -0.606620628411 -3.19823381274 TCL: atom 1: phi = 0.356602494459 TCL: Center of mass = 34.007406006 -0.606804398283 -3.19855811621 TCL: atom 1: phi = 0.35725966467 TCL: Center of mass = 34.0108237983 -0.606990005541 -3.19889736816 TCL: atom 1: phi = 0.357683323505 TCL: Center of mass = 34.0142371187 -0.607163655948 -3.19923132911 TCL: atom 1: phi = 0.3583440755 TCL: Center of mass = 34.0176575024 -0.607321397937 -3.19957022024 TCL: atom 1: phi = 0.358777642755 TCL: Center of mass = 34.0210833988 -0.607486192687 -3.19990162906 TCL: atom 1: phi = 0.359370333432 TCL: Center of mass = 34.0245103156 -0.607643097529 -3.20023297224 TCL: atom 1: phi = 0.359633251732 TCL: Center of mass = 34.0279513648 -0.607799222144 -3.20055272953 TCL: atom 1: phi = 0.360009359923 TCL: Center of mass = 34.0313849506 -0.607954262665 -3.2008855733 TCL: atom 1: phi = 0.360148209173 TCL: Center of mass = 34.0348246581 -0.608103569155 -3.201204591 TCL: atom 1: phi = 0.36055913983 TCL: Center of mass = 34.03827718 -0.608261619273 -3.20151437089 TCL: atom 1: phi = 0.360794662769 TCL: Center of mass = 34.0417352216 -0.608415078953 -3.20182970656 TCL: atom 1: phi = 0.361344051606 TCL: Center of mass = 34.0451852627 -0.608562571946 -3.20214026465 TCL: atom 1: phi = 0.361639231566 TCL: Center of mass = 34.0486382327 -0.608713477369 -3.20245108402 TCL: atom 1: phi = 0.36215758378 TCL: Center of mass = 34.0520962779 -0.608861236412 -3.20275581067 TCL: atom 1: phi = 0.362323077656 TCL: Center of mass = 34.0555568165 -0.609005478633 -3.20305598158 TCL: atom 1: phi = 0.362613793397 TCL: Center of mass = 34.0590303612 -0.609160398483 -3.20335036166 TCL: atom 1: phi = 0.362417732568 TCL: Center of mass = 34.0624981102 -0.609306679699 -3.20364508946 TCL: atom 1: phi = 0.362292580026 TCL: Center of mass = 34.0659701999 -0.609447006155 -3.20393368328 TCL: atom 1: phi = 0.361736937717 TCL: Center of mass = 34.0694522544 -0.60957996462 -3.20422331892 TCL: atom 1: phi = 0.361315586995 TCL: Center of mass = 34.0729276403 -0.609704113263 -3.20452060025 TCL: atom 1: phi = 0.36057026467 TCL: Center of mass = 34.0763919036 -0.609826083744 -3.20481527963 TCL: atom 1: phi = 0.36000896305 TCL: Center of mass = 34.0798490451 -0.609940432904 -3.20510495751 TCL: atom 1: phi = 0.359174525856 TCL: Center of mass = 34.0833124366 -0.610052915869 -3.20539341691 TCL: atom 1: phi = 0.35855032937 TCL: Center of mass = 34.0867664423 -0.610173541347 -3.20567005197 TCL: atom 1: phi = 0.357767003319 TCL: Center of mass = 34.0902266835 -0.610294194877 -3.2059504475 TCL: atom 1: phi = 0.357181765745 TCL: Center of mass = 34.0936977705 -0.610409128516 -3.20621388416 TCL: atom 1: phi = 0.356409740373 TCL: Center of mass = 34.09716954 -0.610515873511 -3.20648198013 TCL: atom 1: phi = 0.355851757024 TCL: Center of mass = 34.1006286802 -0.610621218131 -3.20675083293 TCL: atom 1: phi = 0.355186925823 TCL: Center of mass = 34.104083135 -0.610730827514 -3.20701299121 TCL: atom 1: phi = 0.354784677218 TCL: Center of mass = 34.1075356513 -0.610852334971 -3.20726092761 TCL: atom 1: phi = 0.354372108149 TCL: Center of mass = 34.1109816637 -0.610978676038 -3.20750914447 TCL: atom 1: phi = 0.354294516447 TCL: Center of mass = 34.1144280604 -0.611108129279 -3.20775612411 TCL: atom 1: phi = 0.354264882911 TCL: Center of mass = 34.117864976 -0.611242116409 -3.20801251013 TCL: atom 1: phi = 0.354540284755 TCL: Center of mass = 34.1212960124 -0.611361950161 -3.20828094359 TCL: atom 1: phi = 0.354777212856 TCL: Center of mass = 34.1247159607 -0.611491962005 -3.20854936889 TCL: atom 1: phi = 0.355288396804 TCL: Center of mass = 34.1281333744 -0.61162738737 -3.20881466812 TCL: atom 1: phi = 0.355698320936 TCL: Center of mass = 34.1315469417 -0.611762594892 -3.20907631303 TCL: atom 1: phi = 0.35628363789 TCL: Center of mass = 34.1349532621 -0.611894795187 -3.20932683915 TCL: atom 1: phi = 0.356699250574 TCL: Center of mass = 34.138355123 -0.612041311691 -3.20957128773 TCL: atom 1: phi = 0.357251267094 TCL: Center of mass = 34.1417595888 -0.612194106699 -3.20982810705 TCL: atom 1: phi = 0.357694971112 TCL: Center of mass = 34.1451561748 -0.612356860789 -3.21008815213 TCL: atom 1: phi = 0.358337681572 TCL: Center of mass = 34.1485455213 -0.612527458652 -3.21033879242 TCL: atom 1: phi = 0.358934527989 TCL: Center of mass = 34.1519312828 -0.612691459342 -3.21058025829 TCL: atom 1: phi = 0.359820508644 TCL: Center of mass = 34.1553159011 -0.612853053434 -3.2108178427 TCL: atom 1: phi = 0.360690905702 TCL: Center of mass = 34.1586866752 -0.613019329197 -3.21105052097 TCL: atom 1: phi = 0.361840305316 TIMING: 12000 CPU: 2056.1, 0.172054/step Wall: 2513.2, 0.2107/step, 0.468222 hours remaining, 22049 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 12000 385.4454 709.9696 438.2951 40.2054 -2750.4926 -256.3361 0.0000 0.0000 1162.6240 -270.2891 316.8475 -262.0847 -260.3788 320.4443 436.7175 600.0257 64000.0000 741.8198 735.0672 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12000 WRITING COORDINATES TO DCD FILE AT STEP 12000 WRITING COORDINATES TO RESTART FILE AT STEP 12000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 34.1620574936 -0.61319788891 -3.21128411835 TCL: atom 1: phi = 0.362894966285 TCL: Center of mass = 34.1654320953 -0.613364447167 -3.21152415946 TCL: atom 1: phi = 0.364213154554 TCL: Center of mass = 34.1688032353 -0.61353306656 -3.21176222092 TCL: atom 1: phi = 0.36546063941 TCL: Center of mass = 34.1721689285 -0.613699829358 -3.21200956284 TCL: atom 1: phi = 0.367007486285 TCL: Center of mass = 34.1755264516 -0.613866676006 -3.21227236891 TCL: atom 1: phi = 0.368429508873 TCL: Center of mass = 34.1788827978 -0.614040653828 -3.21253391665 TCL: atom 1: phi = 0.370155340395 TCL: Center of mass = 34.1822395499 -0.614214826172 -3.21278648871 TCL: atom 1: phi = 0.371753798487 TCL: Center of mass = 34.1856057013 -0.614397868181 -3.21303557036 TCL: atom 1: phi = 0.373628529729 TCL: Center of mass = 34.1889688482 -0.614588590449 -3.21328913106 TCL: atom 1: phi = 0.37523912204 TCL: Center of mass = 34.1923352005 -0.614787562896 -3.21353513251 TCL: atom 1: phi = 0.377029551592 TCL: Center of mass = 34.1956978482 -0.614986253929 -3.21377447749 TCL: atom 1: phi = 0.378477468098 TCL: Center of mass = 34.1990609217 -0.615172722153 -3.21402604578 TCL: atom 1: phi = 0.380001481965 TCL: Center of mass = 34.2024312502 -0.615361689243 -3.2142863272 TCL: atom 1: phi = 0.381045108104 TCL: Center of mass = 34.2058011627 -0.61554389113 -3.21454774824 TCL: atom 1: phi = 0.382197053142 TCL: Center of mass = 34.2091602647 -0.615717165003 -3.21482440347 TCL: atom 1: phi = 0.382879425086 TCL: Center of mass = 34.2125136735 -0.615892677586 -3.21511192665 TCL: atom 1: phi = 0.383668780559 TCL: Center of mass = 34.2158479855 -0.616067710919 -3.21538763393 TCL: atom 1: phi = 0.383988746341 TCL: Center of mass = 34.2191798397 -0.616235164193 -3.21566473363 TCL: atom 1: phi = 0.384525821604 TCL: Center of mass = 34.2225129863 -0.616403731524 -3.21594784047 TCL: atom 1: phi = 0.384665681359 TCL: Center of mass = 34.2258502551 -0.616557318302 -3.21622390123 TCL: atom 1: phi = 0.384999806258 TCL: Center of mass = 34.2291873025 -0.616708084651 -3.21651311185 TCL: atom 1: phi = 0.384922813097 TCL: Center of mass = 34.2325102041 -0.616854837953 -3.21679809964 TCL: atom 1: phi = 0.385012392336 TCL: Center of mass = 34.2358189802 -0.61700009542 -3.2170858249 TCL: atom 1: phi = 0.384664268043 TCL: Center of mass = 34.2391328532 -0.617147187069 -3.21736481121 TCL: atom 1: phi = 0.38448729902 TCL: Center of mass = 34.242445505 -0.617299306843 -3.2176380144 TCL: atom 1: phi = 0.383951000886 TCL: Center of mass = 34.2457574737 -0.617447960454 -3.2179089299 TCL: atom 1: phi = 0.383664167694 TCL: Center of mass = 34.2490612517 -0.617596188211 -3.21818342995 TCL: atom 1: phi = 0.383130065073 TCL: Center of mass = 34.2523540346 -0.617731107584 -3.21846620208 TCL: atom 1: phi = 0.382962939746 TCL: Center of mass = 34.2556523761 -0.617863183059 -3.21874739611 TCL: atom 1: phi = 0.3825513685 TCL: Center of mass = 34.2589547405 -0.617990462289 -3.21903113621 TCL: atom 1: phi = 0.382426862455 TCL: Center of mass = 34.2622498555 -0.618121517974 -3.21930498945 TCL: atom 1: phi = 0.381974839416 TCL: Center of mass = 34.265544497 -0.618250403918 -3.2195775715 TCL: atom 1: phi = 0.381707551774 TCL: Center of mass = 34.2688371642 -0.618381800153 -3.21985724444 TCL: atom 1: phi = 0.381102949803 TCL: Center of mass = 34.2721210976 -0.618519949945 -3.22012467112 TCL: atom 1: phi = 0.380675324731 TCL: Center of mass = 34.2753993736 -0.618650257409 -3.22039597113 TCL: atom 1: phi = 0.379964183303 TCL: Center of mass = 34.2786752835 -0.61877510555 -3.22065415235 TCL: atom 1: phi = 0.37942677461 TCL: Center of mass = 34.2819466933 -0.618898064629 -3.22090954567 TCL: atom 1: phi = 0.378690375867 TCL: Center of mass = 34.2852197327 -0.619014736396 -3.22114250441 TCL: atom 1: phi = 0.378292253988 TCL: Center of mass = 34.288478721 -0.619120243078 -3.22138570901 TCL: atom 1: phi = 0.377842114024 TCL: Center of mass = 34.2917301 -0.619232543087 -3.2216232759 TCL: atom 1: phi = 0.377687208367 TCL: Center of mass = 34.2949796383 -0.619352638104 -3.22186168954 TCL: atom 1: phi = 0.377489349728 TCL: Center of mass = 34.2982379238 -0.619473274305 -3.2221020244 TCL: atom 1: phi = 0.377637293462 TCL: Center of mass = 34.3015071671 -0.619596233464 -3.22233578161 TCL: atom 1: phi = 0.377719678334 TCL: Center of mass = 34.30477778 -0.619712259071 -3.2225748781 TCL: atom 1: phi = 0.378042310369 TCL: Center of mass = 34.3080386061 -0.619829461836 -3.22280916589 TCL: atom 1: phi = 0.378268560988 TCL: Center of mass = 34.3112976238 -0.619954177334 -3.22303923847 TCL: atom 1: phi = 0.378700322261 TCL: Center of mass = 34.3145650975 -0.620086333834 -3.22326881616 TCL: atom 1: phi = 0.379044575598 TCL: Center of mass = 34.3178345862 -0.620228194389 -3.22350770904 TCL: atom 1: phi = 0.37961439693 TCL: Center of mass = 34.3211171549 -0.620364107355 -3.2237442277 TCL: atom 1: phi = 0.380045226401 TCL: Center of mass = 34.3243995988 -0.620516233391 -3.22397955026 TCL: atom 1: phi = 0.380585003042 TCL: Center of mass = 34.3276665082 -0.620675837331 -3.22420636356 TCL: atom 1: phi = 0.380884889978 TCL: Center of mass = 34.3309285623 -0.620836327417 -3.22442765908 TCL: atom 1: phi = 0.381212578584 TCL: Center of mass = 34.3341979193 -0.620997683456 -3.22466023365 TCL: atom 1: phi = 0.381198977661 TCL: Center of mass = 34.3374748319 -0.621165282379 -3.22489778874 TCL: atom 1: phi = 0.381145899128 TCL: Center of mass = 34.3407611857 -0.621331621587 -3.22514279438 TCL: atom 1: phi = 0.380747723641 TCL: Center of mass = 34.3440482096 -0.621480616286 -3.22539092468 TCL: atom 1: phi = 0.380288578782 TCL: Center of mass = 34.3473313085 -0.621643755925 -3.22563257415 TCL: atom 1: phi = 0.379575212024 TCL: Center of mass = 34.3506039047 -0.621815244202 -3.22587701038 TCL: atom 1: phi = 0.378950683951 TCL: Center of mass = 34.3538772051 -0.621991976487 -3.22612731638 TCL: atom 1: phi = 0.378200979442 TCL: Center of mass = 34.3571502512 -0.622167461469 -3.22638456202 TCL: atom 1: phi = 0.37758121729 TCL: Center of mass = 34.3604335395 -0.622349329377 -3.22664934063 TCL: atom 1: phi = 0.376934808688 TCL: Center of mass = 34.3637248641 -0.622530507575 -3.22691073052 TCL: atom 1: phi = 0.37649054999 TCL: Center of mass = 34.3670076646 -0.622722176084 -3.22718334071 TCL: atom 1: phi = 0.37607074438 TCL: Center of mass = 34.3702937039 -0.622924525951 -3.22745855702 TCL: atom 1: phi = 0.375886783336 TCL: Center of mass = 34.3735984977 -0.623111426734 -3.22774324666 TCL: atom 1: phi = 0.375725823412 TCL: Center of mass = 34.3769036743 -0.623297820088 -3.22800339459 TCL: atom 1: phi = 0.375855129558 TCL: Center of mass = 34.3802080534 -0.623490995921 -3.22826294823 TCL: atom 1: phi = 0.375995160786 TCL: Center of mass = 34.3835023282 -0.623689739791 -3.22851501792 TCL: atom 1: phi = 0.376460759254 TCL: Center of mass = 34.3867978993 -0.623890909762 -3.22877625238 TCL: atom 1: phi = 0.376987316894 TCL: Center of mass = 34.3900892983 -0.624100549965 -3.22904423031 TCL: atom 1: phi = 0.377849569709 TCL: Center of mass = 34.3933837979 -0.624307455335 -3.22931235603 TCL: atom 1: phi = 0.378730224806 TCL: Center of mass = 34.3966816764 -0.624510063441 -3.22956796932 TCL: atom 1: phi = 0.379845276625 TCL: Center of mass = 34.3999761933 -0.624706551287 -3.22981232191 TCL: atom 1: phi = 0.380830177324 TCL: Center of mass = 34.403276766 -0.624894197914 -3.23007163522 TCL: atom 1: phi = 0.382014327661 TCL: Center of mass = 34.4065746492 -0.625075639182 -3.23034249678 TCL: atom 1: phi = 0.38301722168 TCL: Center of mass = 34.4098738424 -0.62525775324 -3.23060033804 TCL: atom 1: phi = 0.384176657681 TCL: Center of mass = 34.4131733556 -0.625444473507 -3.23086152579 TCL: atom 1: phi = 0.385107336882 TCL: Center of mass = 34.4164768416 -0.625632873166 -3.23113090063 TCL: atom 1: phi = 0.38621920198 TCL: Center of mass = 34.4197871424 -0.625821242367 -3.2314090678 TCL: atom 1: phi = 0.387148842832 TCL: Center of mass = 34.4231027628 -0.626000778058 -3.231680787 TCL: atom 1: phi = 0.388354217254 TCL: Center of mass = 34.4264225292 -0.626182123359 -3.23196888681 TCL: atom 1: phi = 0.389453476493 TCL: Center of mass = 34.4297389886 -0.626352078386 -3.2322470258 TCL: atom 1: phi = 0.390906236242 TCL: Center of mass = 34.4330483453 -0.626511708575 -3.23252444522 TCL: atom 1: phi = 0.392226302972 TCL: Center of mass = 34.436356215 -0.62667247427 -3.23279877261 TCL: atom 1: phi = 0.39383188393 TCL: Center of mass = 34.439656632 -0.62681802685 -3.23306390069 TCL: atom 1: phi = 0.395157734723 TCL: Center of mass = 34.4429570415 -0.626958893452 -3.23332985382 TCL: atom 1: phi = 0.396630324896 TCL: Center of mass = 34.4462641897 -0.627094591832 -3.23358175541 TCL: atom 1: phi = 0.397762223913 TCL: Center of mass = 34.4495733284 -0.627224473273 -3.23384203902 TCL: atom 1: phi = 0.399080985797 TCL: Center of mass = 34.4528791234 -0.627361175035 -3.23410406513 TCL: atom 1: phi = 0.399993152193 TCL: Center of mass = 34.4561813739 -0.627495724327 -3.23437095737 TCL: atom 1: phi = 0.401082575651 TCL: Center of mass = 34.4594817913 -0.627636831797 -3.23463457486 TCL: atom 1: phi = 0.401801451186 TCL: Center of mass = 34.4627755753 -0.627781022379 -3.23490242353 TCL: atom 1: phi = 0.402681809537 TCL: Center of mass = 34.4660698682 -0.627919637029 -3.23517941798 TCL: atom 1: phi = 0.403045237104 TCL: Center of mass = 34.469366208 -0.628056025161 -3.23545591683 TCL: atom 1: phi = 0.403512579739 TCL: Center of mass = 34.4726591416 -0.628198681031 -3.23573730391 TCL: atom 1: phi = 0.403407695282 TCL: Center of mass = 34.4759597432 -0.628344444578 -3.2360207983 TCL: atom 1: phi = 0.403343495031 TCL: Center of mass = 34.4792670455 -0.628485954654 -3.23631267864 TCL: atom 1: phi = 0.402733426226 TCL: Center of mass = 34.4825860192 -0.628617412915 -3.2365922521 TCL: atom 1: phi = 0.402204672988 TCL: Center of mass = 34.485905381 -0.628754804807 -3.2368591044 TCL: atom 1: phi = 0.401248176994 TCL: Center of mass = 34.4892303812 -0.628891186902 -3.23713014464 TCL: atom 1: phi = 0.400526776067 TIMING: 12100 CPU: 2073.31, 0.172084/step Wall: 2534.28, 0.210859/step, 0.462718 hours remaining, 22049 kB of memory in use. ENERGY: 12100 382.0372 714.5459 427.8566 41.7312 -2748.0758 -246.3923 0.0000 0.0000 1162.4738 -265.8233 316.8066 -257.3808 -257.0231 315.7608 568.9148 600.5777 64000.0000 497.9174 505.1223 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12100 WRITING COORDINATES TO DCD FILE AT STEP 12100 WRITING COORDINATES TO RESTART FILE AT STEP 12100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 34.4925667085 -0.629024449877 -3.23740412915 TCL: atom 1: phi = 0.3995359717 TCL: Center of mass = 34.4959081467 -0.629157287501 -3.23767713987 TCL: atom 1: phi = 0.39888064405 TCL: Center of mass = 34.4992569801 -0.629285479375 -3.2379570502 TCL: atom 1: phi = 0.398058427087 TCL: Center of mass = 34.502611965 -0.62939990533 -3.23823318974 TCL: atom 1: phi = 0.397600107983 TCL: Center of mass = 34.5059785799 -0.629516647459 -3.2385104933 TCL: atom 1: phi = 0.397074049822 TCL: Center of mass = 34.5093429864 -0.629639272923 -3.23878013209 TCL: atom 1: phi = 0.396899190757 TCL: Center of mass = 34.5127032643 -0.629761248531 -3.23904417466 TCL: atom 1: phi = 0.39659476619 TCL: Center of mass = 34.5160638499 -0.629881908331 -3.23930540721 TCL: atom 1: phi = 0.396603718097 TCL: Center of mass = 34.5194304022 -0.630004317433 -3.23957120347 TCL: atom 1: phi = 0.396537255031 TCL: Center of mass = 34.5227917603 -0.630121665772 -3.23984344316 TCL: atom 1: phi = 0.396781327568 TCL: Center of mass = 34.5261559001 -0.63023516448 -3.2401290164 TCL: atom 1: phi = 0.396924493787 TCL: Center of mass = 34.5295230924 -0.630350993014 -3.24041020004 TCL: atom 1: phi = 0.397396935718 TCL: Center of mass = 34.5328864497 -0.630467758631 -3.24070043592 TCL: atom 1: phi = 0.39768062222 TCL: Center of mass = 34.5362501322 -0.630580258904 -3.24100501429 TCL: atom 1: phi = 0.398164891359 TCL: Center of mass = 34.5396078305 -0.630704464725 -3.24131344611 TCL: atom 1: phi = 0.398398092688 TCL: Center of mass = 34.5429704335 -0.630812699264 -3.24162641398 TCL: atom 1: phi = 0.398743941326 TCL: Center of mass = 34.5463411921 -0.630919479877 -3.24193533924 TCL: atom 1: phi = 0.398772240697 TCL: Center of mass = 34.5497173921 -0.631025095928 -3.24224438779 TCL: atom 1: phi = 0.398865592716 TCL: Center of mass = 34.5530853275 -0.631142057144 -3.24254849416 TCL: atom 1: phi = 0.398618203727 TCL: Center of mass = 34.5564494138 -0.631272015041 -3.2428546709 TCL: atom 1: phi = 0.398478356714 TCL: Center of mass = 34.5598081243 -0.631420262823 -3.24315647518 TCL: atom 1: phi = 0.398108436197 TCL: Center of mass = 34.5631664956 -0.63156518509 -3.24345109513 TCL: atom 1: phi = 0.397947533441 TCL: Center of mass = 34.5665227167 -0.631711249787 -3.24372879685 TCL: atom 1: phi = 0.397658924992 TCL: Center of mass = 34.5698831592 -0.631863048219 -3.24401274624 TCL: atom 1: phi = 0.397654468331 TCL: Center of mass = 34.5732403961 -0.632022163642 -3.24430771401 TCL: atom 1: phi = 0.397497327972 TCL: Center of mass = 34.5765925566 -0.632190494379 -3.24460253689 TCL: atom 1: phi = 0.397561777633 TCL: Center of mass = 34.579952692 -0.632354126771 -3.24489278977 TCL: atom 1: phi = 0.397328147492 TCL: Center of mass = 34.5833104762 -0.63252039541 -3.24518252449 TCL: atom 1: phi = 0.397232745313 TCL: Center of mass = 34.5866582892 -0.632692118542 -3.24546754609 TCL: atom 1: phi = 0.396800900822 TCL: Center of mass = 34.5900128547 -0.632866727901 -3.24574168588 TCL: atom 1: phi = 0.396461931413 TCL: Center of mass = 34.5933585972 -0.633047048573 -3.24601491791 TCL: atom 1: phi = 0.395918075058 TCL: Center of mass = 34.5966998802 -0.633229392503 -3.24628713433 TCL: atom 1: phi = 0.395517325496 TCL: Center of mass = 34.6000308144 -0.633415435319 -3.24656930021 TCL: atom 1: phi = 0.394933126018 TCL: Center of mass = 34.6033618211 -0.633610616677 -3.24684189234 TCL: atom 1: phi = 0.394536258726 TCL: Center of mass = 34.6067120117 -0.63380447562 -3.24711265135 TCL: atom 1: phi = 0.393953861397 TCL: Center of mass = 34.6100584553 -0.634003926764 -3.24738273019 TCL: atom 1: phi = 0.393473455253 TCL: Center of mass = 34.6134063244 -0.63420461488 -3.24765689943 TCL: atom 1: phi = 0.392781906077 TCL: Center of mass = 34.616756426 -0.634411517902 -3.24794195824 TCL: atom 1: phi = 0.392236130365 TCL: Center of mass = 34.6201173628 -0.634616309902 -3.2482302046 TCL: atom 1: phi = 0.391534550987 TCL: Center of mass = 34.6234855885 -0.634826485184 -3.24851468409 TCL: atom 1: phi = 0.391115992694 TCL: Center of mass = 34.626851426 -0.635035344238 -3.24879313882 TCL: atom 1: phi = 0.390689323468 TCL: Center of mass = 34.6302279369 -0.63523885575 -3.24907450896 TCL: atom 1: phi = 0.390574284898 TCL: Center of mass = 34.6336018103 -0.635427694544 -3.24935787136 TCL: atom 1: phi = 0.390547472568 TCL: Center of mass = 34.6369762408 -0.635615299777 -3.24963475054 TCL: atom 1: phi = 0.390902973793 TCL: Center of mass = 34.6403508895 -0.635802748954 -3.24990849631 TCL: atom 1: phi = 0.391271833241 TCL: Center of mass = 34.6437151919 -0.636000657588 -3.25019304933 TCL: atom 1: phi = 0.391967228862 TCL: Center of mass = 34.6470723161 -0.636204920391 -3.25047693875 TCL: atom 1: phi = 0.392589024066 TCL: Center of mass = 34.6504292938 -0.636412486864 -3.25075617116 TCL: atom 1: phi = 0.393411507879 TCL: Center of mass = 34.65378973 -0.636626772367 -3.25102595792 TCL: atom 1: phi = 0.394043024039 TCL: Center of mass = 34.6571526615 -0.636841702642 -3.25128904846 TCL: atom 1: phi = 0.39479450192 TCL: Center of mass = 34.6605119258 -0.6370587861 -3.25154180628 TCL: atom 1: phi = 0.39538220313 TCL: Center of mass = 34.6638728497 -0.637275168571 -3.25179527175 TCL: atom 1: phi = 0.396158172788 TCL: Center of mass = 34.6672327075 -0.637502139158 -3.25205000407 TCL: atom 1: phi = 0.39683156279 TCL: Center of mass = 34.6705887109 -0.63773736235 -3.25230253494 TCL: atom 1: phi = 0.39775949182 TCL: Center of mass = 34.6739548449 -0.637967808633 -3.25254570935 TCL: atom 1: phi = 0.398582434014 TCL: Center of mass = 34.6773132057 -0.63819931555 -3.25279266329 TCL: atom 1: phi = 0.399513802876 TCL: Center of mass = 34.6806695159 -0.638432055371 -3.25303923235 TCL: atom 1: phi = 0.400183644798 TCL: Center of mass = 34.6840405722 -0.638665183799 -3.25327599808 TCL: atom 1: phi = 0.40086772427 TCL: Center of mass = 34.6874034044 -0.638899294193 -3.25352333377 TCL: atom 1: phi = 0.401185354751 TCL: Center of mass = 34.690775892 -0.639127805398 -3.25376304017 TCL: atom 1: phi = 0.401542350566 TCL: Center of mass = 34.6941496658 -0.639355117009 -3.25401360318 TCL: atom 1: phi = 0.401654614341 TCL: Center of mass = 34.6975159589 -0.639575007816 -3.25426066504 TCL: atom 1: phi = 0.401940449571 TCL: Center of mass = 34.7008850849 -0.639801076653 -3.25451126812 TCL: atom 1: phi = 0.402149795108 TCL: Center of mass = 34.7042687596 -0.640022985253 -3.25475504724 TCL: atom 1: phi = 0.402659466056 TCL: Center of mass = 34.7076375117 -0.640247922262 -3.25499433192 TCL: atom 1: phi = 0.403097688463 TCL: Center of mass = 34.7110142241 -0.640462531702 -3.25523812684 TCL: atom 1: phi = 0.40373036955 TCL: Center of mass = 34.7144099805 -0.640686011719 -3.25548656975 TCL: atom 1: phi = 0.404135310016 TCL: Center of mass = 34.7177986228 -0.640911882084 -3.25573529403 TCL: atom 1: phi = 0.404638284122 TCL: Center of mass = 34.7212036173 -0.641126596633 -3.25597709492 TCL: atom 1: phi = 0.404819722926 TCL: Center of mass = 34.7246043505 -0.641340989601 -3.25621455502 TCL: atom 1: phi = 0.405096333386 TCL: Center of mass = 34.7280054382 -0.641562232266 -3.25644860099 TCL: atom 1: phi = 0.405094507076 TCL: Center of mass = 34.7314076983 -0.641780984044 -3.25667284822 TCL: atom 1: phi = 0.405243057117 TCL: Center of mass = 34.7347947467 -0.642008782921 -3.25688459403 TCL: atom 1: phi = 0.405181207508 TCL: Center of mass = 34.7381836201 -0.642244559668 -3.25710136822 TCL: atom 1: phi = 0.405346601358 TCL: Center of mass = 34.7415872233 -0.642462360936 -3.25731908146 TCL: atom 1: phi = 0.405322048193 TCL: Center of mass = 34.7449845631 -0.642669100472 -3.25752571876 TCL: atom 1: phi = 0.405496312262 TCL: Center of mass = 34.7483744967 -0.642873508019 -3.25772778854 TCL: atom 1: phi = 0.405424033824 TCL: Center of mass = 34.7517509458 -0.643074026129 -3.25793168972 TCL: atom 1: phi = 0.40544715807 TCL: Center of mass = 34.7551278054 -0.643264187978 -3.25814190924 TCL: atom 1: phi = 0.405148904088 TCL: Center of mass = 34.7584848878 -0.643458727303 -3.25836116747 TCL: atom 1: phi = 0.405023112064 TCL: Center of mass = 34.7618470134 -0.643652658331 -3.2585880259 TCL: atom 1: phi = 0.404646725766 TCL: Center of mass = 34.7652138011 -0.643850648993 -3.25880599689 TCL: atom 1: phi = 0.404580287453 TCL: Center of mass = 34.7685870085 -0.64405790919 -3.25900917277 TCL: atom 1: phi = 0.40446302262 TCL: Center of mass = 34.7719455357 -0.644265049736 -3.25921352315 TCL: atom 1: phi = 0.404762372006 TCL: Center of mass = 34.7753006394 -0.644465802243 -3.25942097741 TCL: atom 1: phi = 0.405078741948 TCL: Center of mass = 34.7786532883 -0.644666178245 -3.25962350044 TCL: atom 1: phi = 0.405785823476 TCL: Center of mass = 34.78201993 -0.644865209143 -3.25982732609 TCL: atom 1: phi = 0.406385674101 TCL: Center of mass = 34.785376653 -0.645063233495 -3.26003614411 TCL: atom 1: phi = 0.407166759221 TCL: Center of mass = 34.7887357596 -0.64526379262 -3.26024570478 TCL: atom 1: phi = 0.407617555984 TCL: Center of mass = 34.7920962662 -0.645474688411 -3.26045938065 TCL: atom 1: phi = 0.408203463813 TCL: Center of mass = 34.7954492399 -0.645680527943 -3.26067025633 TCL: atom 1: phi = 0.408419853178 TCL: Center of mass = 34.7988057868 -0.645902771307 -3.26088789252 TCL: atom 1: phi = 0.40876057767 TCL: Center of mass = 34.8021593452 -0.646123590329 -3.2611102941 TCL: atom 1: phi = 0.408858777149 TCL: Center of mass = 34.8055040827 -0.646347592789 -3.26133092934 TCL: atom 1: phi = 0.409208412917 TCL: Center of mass = 34.8088485686 -0.646561809653 -3.26153825943 TCL: atom 1: phi = 0.409353869721 TCL: Center of mass = 34.8121961858 -0.646772289374 -3.26172994464 TCL: atom 1: phi = 0.409711381785 TCL: Center of mass = 34.8155495188 -0.646973006352 -3.2619231594 TCL: atom 1: phi = 0.409773879041 TCL: Center of mass = 34.8188997974 -0.647164211747 -3.26211176332 TCL: atom 1: phi = 0.409984094808 TCL: Center of mass = 34.8222571978 -0.647351863066 -3.26229833225 TCL: atom 1: phi = 0.409790794203 TCL: Center of mass = 34.8256054049 -0.647535514597 -3.26248523182 TCL: atom 1: phi = 0.409706887868 TIMING: 12200 CPU: 2090.59, 0.172844/step Wall: 2555.4, 0.211193/step, 0.457585 hours remaining, 22049 kB of memory in use. ENERGY: 12200 410.4970 713.7554 400.9731 43.6251 -2784.8024 -205.7959 0.0000 0.0000 1160.9362 -260.8115 316.3876 -251.7839 -253.6917 319.6979 1211.1166 1136.0183 64000.0000 935.6664 936.9271 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12200 WRITING COORDINATES TO DCD FILE AT STEP 12200 WRITING COORDINATES TO RESTART FILE AT STEP 12200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 34.8289483201 -0.647720873681 -3.2626596561 TCL: atom 1: phi = 0.409274712239 TCL: Center of mass = 34.8323069077 -0.647911871971 -3.2628287456 TCL: atom 1: phi = 0.409052389243 TCL: Center of mass = 34.8356671388 -0.648094974698 -3.262992862 TCL: atom 1: phi = 0.408701340844 TCL: Center of mass = 34.8390356888 -0.648283402465 -3.26317029909 TCL: atom 1: phi = 0.408678977863 TCL: Center of mass = 34.8424138073 -0.648468435552 -3.26334771632 TCL: atom 1: phi = 0.408620971117 TCL: Center of mass = 34.8457865748 -0.648657202064 -3.26351873064 TCL: atom 1: phi = 0.408927798438 TCL: Center of mass = 34.8491641909 -0.64883253334 -3.26368336131 TCL: atom 1: phi = 0.409174709292 TCL: Center of mass = 34.8525411384 -0.649003779264 -3.26385708217 TCL: atom 1: phi = 0.409655475674 TCL: Center of mass = 34.8559220618 -0.64918046629 -3.26403489563 TCL: atom 1: phi = 0.409888367383 TCL: Center of mass = 34.8592958355 -0.649360445693 -3.26421030784 TCL: atom 1: phi = 0.410172420849 TCL: Center of mass = 34.8626666764 -0.649546924252 -3.26438904618 TCL: atom 1: phi = 0.410196403293 TCL: Center of mass = 34.8660357213 -0.649736775455 -3.26457301291 TCL: atom 1: phi = 0.410334086737 TCL: Center of mass = 34.8694099963 -0.649926733488 -3.2647522635 TCL: atom 1: phi = 0.410223813428 TCL: Center of mass = 34.8727918185 -0.650116651441 -3.2649224712 TCL: atom 1: phi = 0.41037219701 TCL: Center of mass = 34.8761672314 -0.650297626498 -3.26510045219 TCL: atom 1: phi = 0.410368172006 TCL: Center of mass = 34.8795447115 -0.650472243776 -3.26527661905 TCL: atom 1: phi = 0.41057518921 TCL: Center of mass = 34.8829216839 -0.650665830614 -3.26545364102 TCL: atom 1: phi = 0.410534020739 TCL: Center of mass = 34.8863018819 -0.650857411456 -3.26562148795 TCL: atom 1: phi = 0.410676783602 TCL: Center of mass = 34.8896884659 -0.651033824905 -3.26578462755 TCL: atom 1: phi = 0.410519059585 TCL: Center of mass = 34.8930732564 -0.65120709797 -3.26594447585 TCL: atom 1: phi = 0.410456016603 TCL: Center of mass = 34.8964733743 -0.65137604965 -3.26610595232 TCL: atom 1: phi = 0.41013864781 TCL: Center of mass = 34.8998772624 -0.651539530175 -3.26626546292 TCL: atom 1: phi = 0.409996006784 TCL: Center of mass = 34.9032780459 -0.65171386702 -3.26641835752 TCL: atom 1: phi = 0.409741439112 TCL: Center of mass = 34.9066725587 -0.651890184285 -3.26657577464 TCL: atom 1: phi = 0.409914937549 TCL: Center of mass = 34.9100690179 -0.652064808506 -3.26672377728 TCL: atom 1: phi = 0.410163237352 TCL: Center of mass = 34.9134670626 -0.652235449858 -3.26687197105 TCL: atom 1: phi = 0.410894367954 TCL: Center of mass = 34.9168592993 -0.652406110992 -3.26703136439 TCL: atom 1: phi = 0.411663797656 TCL: Center of mass = 34.9202560628 -0.652579402175 -3.26719650093 TCL: atom 1: phi = 0.4128021032 TCL: Center of mass = 34.923653653 -0.652742214808 -3.26735591331 TCL: atom 1: phi = 0.413742687885 TCL: Center of mass = 34.927048009 -0.652915719272 -3.26751773905 TCL: atom 1: phi = 0.414914213482 TCL: Center of mass = 34.9304418111 -0.653091491863 -3.26767286568 TCL: atom 1: phi = 0.415784527737 TCL: Center of mass = 34.9338266441 -0.653258828753 -3.26781185392 TCL: atom 1: phi = 0.416764487973 TCL: Center of mass = 34.9372240083 -0.653435588446 -3.26794766004 TCL: atom 1: phi = 0.417475604477 TCL: Center of mass = 34.9406253901 -0.653601979315 -3.26808418784 TCL: atom 1: phi = 0.418368325255 TCL: Center of mass = 34.9440308019 -0.653762514099 -3.26823388476 TCL: atom 1: phi = 0.419052317583 TCL: Center of mass = 34.9474340669 -0.653917603982 -3.26838665264 TCL: atom 1: phi = 0.420009472268 TCL: Center of mass = 34.9508556708 -0.654078308219 -3.26853711189 TCL: atom 1: phi = 0.420790443004 TCL: Center of mass = 34.954271685 -0.654241438364 -3.26868716598 TCL: atom 1: phi = 0.421783012248 TCL: Center of mass = 34.9576794853 -0.654399692086 -3.2688337419 TCL: atom 1: phi = 0.422495544197 TCL: Center of mass = 34.9610892237 -0.654550193726 -3.26898250845 TCL: atom 1: phi = 0.42330097681 TCL: Center of mass = 34.9644983923 -0.654704258684 -3.26913659524 TCL: atom 1: phi = 0.423730109404 TCL: Center of mass = 34.967911377 -0.654857809996 -3.26929734586 TCL: atom 1: phi = 0.424347901816 TCL: Center of mass = 34.9713171209 -0.655009497819 -3.26946629866 TCL: atom 1: phi = 0.424753311881 TCL: Center of mass = 34.9747197069 -0.655151590735 -3.26964085007 TCL: atom 1: phi = 0.425486767533 TCL: Center of mass = 34.9781178463 -0.655291941916 -3.26982257906 TCL: atom 1: phi = 0.426144894983 TCL: Center of mass = 34.9815194058 -0.655433104103 -3.27000516719 TCL: atom 1: phi = 0.427165002284 TCL: Center of mass = 34.9849061575 -0.655568923433 -3.2701847184 TCL: atom 1: phi = 0.428052626433 TCL: Center of mass = 34.9882848823 -0.655707744854 -3.27036900597 TCL: atom 1: phi = 0.429144027483 TCL: Center of mass = 34.9916629617 -0.655849044763 -3.27055698131 TCL: atom 1: phi = 0.429843475993 TCL: Center of mass = 34.9950457648 -0.655977969041 -3.27075231919 TCL: atom 1: phi = 0.430596121569 TCL: Center of mass = 34.9984224756 -0.656101089535 -3.27095036619 TCL: atom 1: phi = 0.430869199365 TCL: Center of mass = 35.0017967365 -0.656220490251 -3.2711598471 TCL: atom 1: phi = 0.43112297099 TCL: Center of mass = 35.0051758893 -0.65633644791 -3.27137061662 TCL: atom 1: phi = 0.430957071674 TCL: Center of mass = 35.0085618286 -0.656455237455 -3.2715812469 TCL: atom 1: phi = 0.430928629416 TCL: Center of mass = 35.0119432423 -0.656566051408 -3.27179751729 TCL: atom 1: phi = 0.43052669893 TCL: Center of mass = 35.0153010118 -0.656662914647 -3.27200906273 TCL: atom 1: phi = 0.430361082426 TCL: Center of mass = 35.0186504253 -0.656753301127 -3.27222695144 TCL: atom 1: phi = 0.4299344211 TCL: Center of mass = 35.0220033087 -0.656846924945 -3.27245788659 TCL: atom 1: phi = 0.429693619993 TCL: Center of mass = 35.02535013 -0.656944353837 -3.27269750012 TCL: atom 1: phi = 0.429186000387 TCL: Center of mass = 35.0287017952 -0.657043797098 -3.27292338533 TCL: atom 1: phi = 0.428910730169 TCL: Center of mass = 35.0320610299 -0.657151970941 -3.27315884967 TCL: atom 1: phi = 0.428348217481 TCL: Center of mass = 35.0354174876 -0.657268005734 -3.2733924231 TCL: atom 1: phi = 0.428031414338 TCL: Center of mass = 35.0387610671 -0.657371767228 -3.27363146001 TCL: atom 1: phi = 0.4275306736 TCL: Center of mass = 35.0420941946 -0.657477448537 -3.27386528253 TCL: atom 1: phi = 0.427458732005 TCL: Center of mass = 35.0454284456 -0.657581687865 -3.27410471776 TCL: atom 1: phi = 0.427373431277 TCL: Center of mass = 35.0487556985 -0.657693246538 -3.27434571461 TCL: atom 1: phi = 0.427796945892 TCL: Center of mass = 35.0520700854 -0.657802065129 -3.27459917453 TCL: atom 1: phi = 0.42817715682 TCL: Center of mass = 35.0553961602 -0.657910543395 -3.27485490642 TCL: atom 1: phi = 0.428969983811 TCL: Center of mass = 35.0587228965 -0.658028715676 -3.27511747871 TCL: atom 1: phi = 0.429620321542 TCL: Center of mass = 35.0620359932 -0.658167519797 -3.27537827158 TCL: atom 1: phi = 0.430536568112 TCL: Center of mass = 35.0653401737 -0.658311138361 -3.27562357212 TCL: atom 1: phi = 0.431157596602 TCL: Center of mass = 35.0686417286 -0.658460606207 -3.27588013034 TCL: atom 1: phi = 0.431914803075 TCL: Center of mass = 35.0719254657 -0.658603535853 -3.27613348516 TCL: atom 1: phi = 0.432215648356 TCL: Center of mass = 35.0752004034 -0.658752409337 -3.27638307518 TCL: atom 1: phi = 0.432701722293 TCL: Center of mass = 35.0784910782 -0.658910653721 -3.27662325235 TCL: atom 1: phi = 0.43280804787 TCL: Center of mass = 35.0817740548 -0.659070285488 -3.27685783926 TCL: atom 1: phi = 0.433146683057 TCL: Center of mass = 35.0850628395 -0.659234894774 -3.27710040643 TCL: atom 1: phi = 0.433165160276 TCL: Center of mass = 35.0883503971 -0.659404266753 -3.27734138751 TCL: atom 1: phi = 0.433401264366 TCL: Center of mass = 35.091633494 -0.659565508132 -3.27757811033 TCL: atom 1: phi = 0.433304045489 TCL: Center of mass = 35.0949075605 -0.659721963061 -3.27781758369 TCL: atom 1: phi = 0.433434447052 TCL: Center of mass = 35.0981850281 -0.659880982541 -3.27805626034 TCL: atom 1: phi = 0.433208319155 TCL: Center of mass = 35.1014430954 -0.660038697465 -3.27827829229 TCL: atom 1: phi = 0.433207975795 TCL: Center of mass = 35.1046929367 -0.660204479426 -3.27850041539 TCL: atom 1: phi = 0.433001375709 TCL: Center of mass = 35.1079428783 -0.660383301979 -3.27871944299 TCL: atom 1: phi = 0.433143034504 TCL: Center of mass = 35.1111937334 -0.660560902526 -3.27893213649 TCL: atom 1: phi = 0.433192588608 TCL: Center of mass = 35.1144371054 -0.660734606537 -3.27914296171 TCL: atom 1: phi = 0.43369726855 TCL: Center of mass = 35.1176818628 -0.66090541096 -3.27935581783 TCL: atom 1: phi = 0.43413144379 TCL: Center of mass = 35.1209226688 -0.661082258615 -3.27957831379 TCL: atom 1: phi = 0.434938022977 TCL: Center of mass = 35.1241583657 -0.661256464868 -3.27979872811 TCL: atom 1: phi = 0.435544047504 TCL: Center of mass = 35.127394121 -0.661421080651 -3.28000666808 TCL: atom 1: phi = 0.436337515126 TCL: Center of mass = 35.130628424 -0.661565934853 -3.28020800616 TCL: atom 1: phi = 0.436767428573 TCL: Center of mass = 35.1338636971 -0.661710622683 -3.2804014719 TCL: atom 1: phi = 0.437236259542 TCL: Center of mass = 35.137088428 -0.661859359722 -3.28060861003 TCL: atom 1: phi = 0.437340791462 TCL: Center of mass = 35.140312651 -0.662016980389 -3.28080465234 TCL: atom 1: phi = 0.437507895448 TCL: Center of mass = 35.1435311545 -0.662175360396 -3.28099610313 TCL: atom 1: phi = 0.43729769838 TCL: Center of mass = 35.1467540834 -0.662342312825 -3.28118714268 TCL: atom 1: phi = 0.437183791635 TCL: Center of mass = 35.1499768313 -0.662512376416 -3.28137143522 TCL: atom 1: phi = 0.436772446522 TCL: Center of mass = 35.1531957438 -0.662681343519 -3.28156126525 TCL: atom 1: phi = 0.436511908783 TCL: Center of mass = 35.1564158402 -0.662851530317 -3.28176262968 TCL: atom 1: phi = 0.436011187632 TCL: Center of mass = 35.1596326511 -0.663022446417 -3.28196532317 TCL: atom 1: phi = 0.435661149812 TIMING: 12300 CPU: 2107.94, 0.173534/step Wall: 2576.5, 0.211039/step, 0.451389 hours remaining, 22050 kB of memory in use. ENERGY: 12300 380.5206 690.0066 420.3162 43.3700 -2765.6234 -216.9648 0.0000 0.0000 1176.6079 -271.7669 320.6586 -263.1689 -263.5786 319.9865 1401.0969 1168.6470 64000.0000 697.6925 693.9019 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12300 WRITING COORDINATES TO DCD FILE AT STEP 12300 WRITING COORDINATES TO RESTART FILE AT STEP 12300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 35.1628443421 -0.663190309042 -3.28217531153 TCL: atom 1: phi = 0.435112648418 TCL: Center of mass = 35.1660494692 -0.663366231171 -3.2823764853 TCL: atom 1: phi = 0.434727519589 TCL: Center of mass = 35.1692400897 -0.663548237496 -3.28258293238 TCL: atom 1: phi = 0.434224699185 TCL: Center of mass = 35.1724236258 -0.663734015178 -3.28278057729 TCL: atom 1: phi = 0.434003801771 TCL: Center of mass = 35.1755974109 -0.66392543942 -3.28297600958 TCL: atom 1: phi = 0.433826747635 TCL: Center of mass = 35.1787775293 -0.664123470165 -3.2831798594 TCL: atom 1: phi = 0.434028811046 TCL: Center of mass = 35.1819673685 -0.664310629186 -3.28337616301 TCL: atom 1: phi = 0.434406873915 TCL: Center of mass = 35.1851368094 -0.664497803563 -3.28358834068 TCL: atom 1: phi = 0.435118788315 TCL: Center of mass = 35.1883136602 -0.664680462398 -3.2838072279 TCL: atom 1: phi = 0.435842596229 TCL: Center of mass = 35.1914997261 -0.664860976047 -3.28403373078 TCL: atom 1: phi = 0.4367921566 TCL: Center of mass = 35.194686938 -0.665044588732 -3.2842701124 TCL: atom 1: phi = 0.437665846142 TCL: Center of mass = 35.1978714716 -0.665224289156 -3.28449331447 TCL: atom 1: phi = 0.438652075182 TCL: Center of mass = 35.2010439325 -0.665407749979 -3.28472281719 TCL: atom 1: phi = 0.439419288374 TCL: Center of mass = 35.2042073726 -0.665597699069 -3.28495874491 TCL: atom 1: phi = 0.440238189885 TCL: Center of mass = 35.2073866355 -0.665790166209 -3.28519554131 TCL: atom 1: phi = 0.440866336413 TCL: Center of mass = 35.2105624555 -0.665980979176 -3.28542562967 TCL: atom 1: phi = 0.441647150226 TCL: Center of mass = 35.213739475 -0.666162922572 -3.28565989717 TCL: atom 1: phi = 0.442285360459 TCL: Center of mass = 35.2169327213 -0.666343180123 -3.28589627965 TCL: atom 1: phi = 0.443042591786 TCL: Center of mass = 35.2201214434 -0.6665070197 -3.28612733738 TCL: atom 1: phi = 0.443626003051 TCL: Center of mass = 35.2233154654 -0.666672222058 -3.28636239529 TCL: atom 1: phi = 0.444244284151 TCL: Center of mass = 35.2265119388 -0.666835323003 -3.28660041738 TCL: atom 1: phi = 0.444648365367 TCL: Center of mass = 35.2297180506 -0.667001899648 -3.28682674845 TCL: atom 1: phi = 0.445098310367 TCL: Center of mass = 35.2329190514 -0.667163943379 -3.2870573198 TCL: atom 1: phi = 0.445373554361 TCL: Center of mass = 35.236115469 -0.667324891515 -3.2872916317 TCL: atom 1: phi = 0.445791689725 TCL: Center of mass = 35.2393069197 -0.66748468292 -3.28752509674 TCL: atom 1: phi = 0.446177933821 TCL: Center of mass = 35.2424943192 -0.667649476699 -3.28776454375 TCL: atom 1: phi = 0.446808682926 TCL: Center of mass = 35.2456858833 -0.667821618644 -3.28801785061 TCL: atom 1: phi = 0.447430192404 TCL: Center of mass = 35.2488890432 -0.66799254604 -3.28826364827 TCL: atom 1: phi = 0.448277209036 TCL: Center of mass = 35.2520732432 -0.668165645663 -3.28849939698 TCL: atom 1: phi = 0.449056222246 TCL: Center of mass = 35.2552603962 -0.668349867536 -3.28872898394 TCL: atom 1: phi = 0.449974735805 TCL: Center of mass = 35.2584476287 -0.668524104174 -3.2889541904 TCL: atom 1: phi = 0.450698234133 TCL: Center of mass = 35.2616330643 -0.668689774328 -3.28918566433 TCL: atom 1: phi = 0.451516005717 TCL: Center of mass = 35.2648179714 -0.668862152852 -3.28942053407 TCL: atom 1: phi = 0.451985523741 TCL: Center of mass = 35.2679994863 -0.669034239357 -3.28965517549 TCL: atom 1: phi = 0.452491626244 TCL: Center of mass = 35.2711820354 -0.669205069343 -3.28988793176 TCL: atom 1: phi = 0.45268683802 TCL: Center of mass = 35.2743574734 -0.669370416465 -3.29010678375 TCL: atom 1: phi = 0.452946787133 TCL: Center of mass = 35.2775335461 -0.669540814281 -3.2903410523 TCL: atom 1: phi = 0.452988137271 TCL: Center of mass = 35.2807011032 -0.66972157789 -3.2905865379 TCL: atom 1: phi = 0.453148960717 TCL: Center of mass = 35.2838644476 -0.669911836219 -3.29083536521 TCL: atom 1: phi = 0.45309116147 TCL: Center of mass = 35.2870085201 -0.670095705193 -3.291082007 TCL: atom 1: phi = 0.453186267328 TCL: Center of mass = 35.2901486565 -0.670299301248 -3.2913294489 TCL: atom 1: phi = 0.453074025676 TCL: Center of mass = 35.2932832801 -0.670507333359 -3.29157769326 TCL: atom 1: phi = 0.453063196631 TCL: Center of mass = 35.2964214106 -0.67071341345 -3.29182409987 TCL: atom 1: phi = 0.452906088134 TCL: Center of mass = 35.2995606585 -0.670933469449 -3.2920659056 TCL: atom 1: phi = 0.453038828817 TCL: Center of mass = 35.3026911409 -0.671153796924 -3.29231418047 TCL: atom 1: phi = 0.453144555687 TCL: Center of mass = 35.3058179595 -0.671373511007 -3.29256864443 TCL: atom 1: phi = 0.453650755689 TCL: Center of mass = 35.3089446596 -0.671590831392 -3.29281877153 TCL: atom 1: phi = 0.45425491009 TCL: Center of mass = 35.3120675279 -0.67179625981 -3.2930739597 TCL: atom 1: phi = 0.455243079472 TCL: Center of mass = 35.3151819734 -0.672019229407 -3.29332224433 TCL: atom 1: phi = 0.456177313303 TCL: Center of mass = 35.3182930515 -0.672240390361 -3.2935775503 TCL: atom 1: phi = 0.457435205972 TCL: Center of mass = 35.3213940743 -0.67245237176 -3.2938389748 TCL: atom 1: phi = 0.458493397403 TCL: Center of mass = 35.3244914983 -0.672660781146 -3.29410542673 TCL: atom 1: phi = 0.459713112381 TCL: Center of mass = 35.3275844625 -0.672857239457 -3.29436738202 TCL: atom 1: phi = 0.460645714662 TCL: Center of mass = 35.3306787259 -0.673058526813 -3.29464114927 TCL: atom 1: phi = 0.461693865656 TCL: Center of mass = 35.3337582308 -0.673238232186 -3.29490487929 TCL: atom 1: phi = 0.462386008 TCL: Center of mass = 35.3368321368 -0.673415272068 -3.29516941133 TCL: atom 1: phi = 0.463218279493 TCL: Center of mass = 35.3398961747 -0.673591251835 -3.29542730226 TCL: atom 1: phi = 0.46364579023 TCL: Center of mass = 35.3429619999 -0.673777194501 -3.29567337492 TCL: atom 1: phi = 0.464214573136 TCL: Center of mass = 35.3460276525 -0.673956804459 -3.29592434793 TCL: atom 1: phi = 0.464348955379 TCL: Center of mass = 35.3490865915 -0.674129415891 -3.2961742179 TCL: atom 1: phi = 0.46461355445 TCL: Center of mass = 35.3521359835 -0.674312586314 -3.29643010338 TCL: atom 1: phi = 0.464409278411 TCL: Center of mass = 35.3551845431 -0.674492427175 -3.29668878209 TCL: atom 1: phi = 0.464299748983 TCL: Center of mass = 35.3582190531 -0.674674684807 -3.29694321323 TCL: atom 1: phi = 0.463775012423 TCL: Center of mass = 35.3612518136 -0.674863584045 -3.29719074151 TCL: atom 1: phi = 0.463474479595 TCL: Center of mass = 35.3642786922 -0.67505437806 -3.29744762842 TCL: atom 1: phi = 0.46284855589 TCL: Center of mass = 35.367319407 -0.675242156286 -3.2977078151 TCL: atom 1: phi = 0.462459886753 TCL: Center of mass = 35.3703551522 -0.675436652363 -3.29797893133 TCL: atom 1: phi = 0.461820470529 TCL: Center of mass = 35.3733942288 -0.675628069844 -3.29824761063 TCL: atom 1: phi = 0.461489580694 TCL: Center of mass = 35.3764344513 -0.675812056626 -3.29851125901 TCL: atom 1: phi = 0.460816171835 TCL: Center of mass = 35.3794767875 -0.675992399679 -3.29878083552 TCL: atom 1: phi = 0.460383375287 TCL: Center of mass = 35.3825211895 -0.676180554373 -3.29905283501 TCL: atom 1: phi = 0.45952857369 TCL: Center of mass = 35.385577766 -0.67636367293 -3.29932521341 TCL: atom 1: phi = 0.458874190944 TCL: Center of mass = 35.3886324852 -0.676546246359 -3.29960891937 TCL: atom 1: phi = 0.457751518147 TCL: Center of mass = 35.3916808551 -0.676720248203 -3.29988731403 TCL: atom 1: phi = 0.456779310011 TCL: Center of mass = 35.3947364872 -0.676894497255 -3.30016273466 TCL: atom 1: phi = 0.455426835405 TCL: Center of mass = 35.3977899799 -0.677061598531 -3.3004384952 TCL: atom 1: phi = 0.45432776446 TCL: Center of mass = 35.400845049 -0.677241786513 -3.30070639309 TCL: atom 1: phi = 0.4529384261 TCL: Center of mass = 35.4038896114 -0.677404670199 -3.30097249999 TCL: atom 1: phi = 0.451809031259 TCL: Center of mass = 35.4069483434 -0.677571000235 -3.30124013434 TCL: atom 1: phi = 0.450442414814 TCL: Center of mass = 35.4100078611 -0.677742912053 -3.30152140539 TCL: atom 1: phi = 0.449316944364 TCL: Center of mass = 35.4130681969 -0.677910861899 -3.30181399547 TCL: atom 1: phi = 0.4479275804 TCL: Center of mass = 35.4161332056 -0.678077890375 -3.30210838753 TCL: atom 1: phi = 0.446803052132 TCL: Center of mass = 35.419185813 -0.67823723319 -3.30239745678 TCL: atom 1: phi = 0.445565242028 TCL: Center of mass = 35.422231915 -0.678395182783 -3.30268622129 TCL: atom 1: phi = 0.444716313455 TCL: Center of mass = 35.4252762612 -0.678540847323 -3.30299612546 TCL: atom 1: phi = 0.443882061981 TCL: Center of mass = 35.4283178731 -0.678684765258 -3.30329731598 TCL: atom 1: phi = 0.4435724598 TCL: Center of mass = 35.431367347 -0.678814680572 -3.30361286444 TCL: atom 1: phi = 0.44332016188 TCL: Center of mass = 35.4344122361 -0.678951027056 -3.30392254545 TCL: atom 1: phi = 0.443556157156 TCL: Center of mass = 35.4374638306 -0.679084132809 -3.30422655818 TCL: atom 1: phi = 0.443794894523 TCL: Center of mass = 35.4405303605 -0.679208634559 -3.30453197326 TCL: atom 1: phi = 0.44440089802 TCL: Center of mass = 35.4435946027 -0.679343294771 -3.30484043295 TCL: atom 1: phi = 0.444880674217 TCL: Center of mass = 35.4466636369 -0.67948153624 -3.30515780383 TCL: atom 1: phi = 0.445572453016 TCL: Center of mass = 35.4497370507 -0.679626178959 -3.3054847376 TCL: atom 1: phi = 0.446023326728 TCL: Center of mass = 35.4528268304 -0.679775492968 -3.30582070755 TCL: atom 1: phi = 0.446606474806 TCL: Center of mass = 35.4559188735 -0.679922354377 -3.30617054113 TCL: atom 1: phi = 0.44689056077 TCL: Center of mass = 35.4590115165 -0.680068022876 -3.30651797084 TCL: atom 1: phi = 0.447344915197 TCL: Center of mass = 35.462097707 -0.680217207916 -3.30685614202 TCL: atom 1: phi = 0.447521676133 TCL: Center of mass = 35.4651962731 -0.680357972415 -3.30719833677 TCL: atom 1: phi = 0.447831927268 TCL: Center of mass = 35.4682852893 -0.680504473436 -3.30753519123 TCL: atom 1: phi = 0.447817941666 TCL: Center of mass = 35.4713807267 -0.680655780916 -3.30786565928 TCL: atom 1: phi = 0.447945844892 TIMING: 12400 CPU: 2125.2, 0.172604/step Wall: 2597.65, 0.211423/step, 0.446338 hours remaining, 22051 kB of memory in use. ENERGY: 12400 403.9660 712.3901 426.3098 43.0404 -2794.9491 -205.2224 0.0000 0.0000 1128.1316 -286.3336 307.4474 -276.8801 -279.6307 315.4137 1606.8099 1332.4776 64000.0000 997.7120 1001.3303 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12400 WRITING COORDINATES TO DCD FILE AT STEP 12400 WRITING COORDINATES TO RESTART FILE AT STEP 12400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 35.4744683528 -0.680800370804 -3.30819562774 TCL: atom 1: phi = 0.447684962256 TCL: Center of mass = 35.4775598673 -0.680943983013 -3.30853943702 TCL: atom 1: phi = 0.447619928634 TCL: Center of mass = 35.4806497776 -0.681074779676 -3.30887624932 TCL: atom 1: phi = 0.447287893512 TCL: Center of mass = 35.4837498939 -0.681207328827 -3.30921448026 TCL: atom 1: phi = 0.447270743222 TCL: Center of mass = 35.4868565218 -0.681344211258 -3.30952688524 TCL: atom 1: phi = 0.447117457886 TCL: Center of mass = 35.4899629527 -0.681477415939 -3.30983808008 TCL: atom 1: phi = 0.44732829021 TCL: Center of mass = 35.4930690543 -0.681600151697 -3.31014003337 TCL: atom 1: phi = 0.447373586074 TCL: Center of mass = 35.4961847729 -0.681726276763 -3.31042850203 TCL: atom 1: phi = 0.447783048663 TCL: Center of mass = 35.4992996922 -0.681847015165 -3.31072138075 TCL: atom 1: phi = 0.447992489061 TCL: Center of mass = 35.5024087535 -0.681968110315 -3.31102073612 TCL: atom 1: phi = 0.448475025284 TCL: Center of mass = 35.5055044302 -0.682094217785 -3.31131861202 TCL: atom 1: phi = 0.448605355848 TCL: Center of mass = 35.5085981825 -0.682207225547 -3.31161358788 TCL: atom 1: phi = 0.448877100098 TCL: Center of mass = 35.5116995194 -0.682316565543 -3.31190363927 TCL: atom 1: phi = 0.448747944546 TCL: Center of mass = 35.5148157487 -0.682431928586 -3.31219815826 TCL: atom 1: phi = 0.448792482221 TCL: Center of mass = 35.5179292965 -0.682562740106 -3.3124805655 TCL: atom 1: phi = 0.448460048518 TCL: Center of mass = 35.5210425757 -0.682700111418 -3.31276146007 TCL: atom 1: phi = 0.448342618533 TCL: Center of mass = 35.524161393 -0.682844985115 -3.31305370352 TCL: atom 1: phi = 0.447814520489 TCL: Center of mass = 35.5272855825 -0.682975619234 -3.31334632141 TCL: atom 1: phi = 0.447511589329 TCL: Center of mass = 35.5304037317 -0.683099517987 -3.31364041333 TCL: atom 1: phi = 0.446836879348 TCL: Center of mass = 35.5335241751 -0.683220270647 -3.3139341485 TCL: atom 1: phi = 0.446427602581 TCL: Center of mass = 35.5366463062 -0.683325873319 -3.31421404911 TCL: atom 1: phi = 0.445670923882 TCL: Center of mass = 35.5397719445 -0.683436750563 -3.31449619515 TCL: atom 1: phi = 0.445237826132 TCL: Center of mass = 35.5429034111 -0.683558187585 -3.31478688371 TCL: atom 1: phi = 0.444625518238 TCL: Center of mass = 35.5460381839 -0.683698389595 -3.31508655206 TCL: atom 1: phi = 0.44441849597 TCL: Center of mass = 35.5491817797 -0.683838870514 -3.31539490016 TCL: atom 1: phi = 0.444015278167 TCL: Center of mass = 35.5523321803 -0.683984407928 -3.31570574878 TCL: atom 1: phi = 0.44406267079 TCL: Center of mass = 35.5554799951 -0.684139266171 -3.31601943402 TCL: atom 1: phi = 0.443994475931 TCL: Center of mass = 35.5586380311 -0.684286230938 -3.31632920449 TCL: atom 1: phi = 0.444434449785 TCL: Center of mass = 35.5617834106 -0.684426606464 -3.31664157809 TCL: atom 1: phi = 0.444678469852 TCL: Center of mass = 35.5649206317 -0.684569617951 -3.31695908137 TCL: atom 1: phi = 0.445287919043 TCL: Center of mass = 35.5680636186 -0.684711773688 -3.31727900289 TCL: atom 1: phi = 0.445600934834 TCL: Center of mass = 35.5712030573 -0.684865368181 -3.3175882965 TCL: atom 1: phi = 0.44617196382 TCL: Center of mass = 35.5743501575 -0.685019643594 -3.31790269247 TCL: atom 1: phi = 0.446252414784 TCL: Center of mass = 35.5774979768 -0.685166309634 -3.31821558736 TCL: atom 1: phi = 0.446563167912 TCL: Center of mass = 35.5806368382 -0.685304685523 -3.3185228906 TCL: atom 1: phi = 0.446401100389 TCL: Center of mass = 35.5837765861 -0.685437587436 -3.31883854588 TCL: atom 1: phi = 0.446436632607 TCL: Center of mass = 35.5869015256 -0.685567605727 -3.31915980348 TCL: atom 1: phi = 0.44598827837 TCL: Center of mass = 35.5900199571 -0.685704686716 -3.3194832531 TCL: atom 1: phi = 0.445778984388 TCL: Center of mass = 35.593139134 -0.685836199729 -3.31979652603 TCL: atom 1: phi = 0.445066835875 TCL: Center of mass = 35.5962483509 -0.685972555846 -3.32011094485 TCL: atom 1: phi = 0.444474979668 TCL: Center of mass = 35.5993568265 -0.686104335293 -3.32041868619 TCL: atom 1: phi = 0.44339177326 TCL: Center of mass = 35.6024584885 -0.686248621934 -3.32071672874 TCL: atom 1: phi = 0.442529086863 TCL: Center of mass = 35.6055705801 -0.686404248911 -3.32101766964 TCL: atom 1: phi = 0.441298993828 TCL: Center of mass = 35.6086795988 -0.686564379979 -3.32131235667 TCL: atom 1: phi = 0.440415689512 TCL: Center of mass = 35.6117886889 -0.686723377045 -3.32160989524 TCL: atom 1: phi = 0.439368513056 TCL: Center of mass = 35.6149118504 -0.686898779846 -3.32190583334 TCL: atom 1: phi = 0.438769188614 TCL: Center of mass = 35.6180287483 -0.687080840864 -3.32221436051 TCL: atom 1: phi = 0.438042177183 TCL: Center of mass = 35.6211472105 -0.687260649545 -3.32252751581 TCL: atom 1: phi = 0.437690672137 TCL: Center of mass = 35.6242706027 -0.687446907361 -3.32283864035 TCL: atom 1: phi = 0.437102779182 TCL: Center of mass = 35.6273997791 -0.687631453278 -3.32314262329 TCL: atom 1: phi = 0.436803144037 TCL: Center of mass = 35.6305235926 -0.687818582147 -3.3234288952 TCL: atom 1: phi = 0.4362603421 TCL: Center of mass = 35.6336462228 -0.688004522735 -3.32371460232 TCL: atom 1: phi = 0.435961017014 TCL: Center of mass = 35.6367677887 -0.688194152519 -3.32400470155 TCL: atom 1: phi = 0.435376212181 TCL: Center of mass = 35.6398989953 -0.688371214786 -3.32429955061 TCL: atom 1: phi = 0.435051473215 TCL: Center of mass = 35.6430287256 -0.688547904805 -3.32459844677 TCL: atom 1: phi = 0.434495927438 TCL: Center of mass = 35.6461530702 -0.688728980247 -3.32489802062 TCL: atom 1: phi = 0.434211513865 TCL: Center of mass = 35.6492873903 -0.688901333504 -3.3251934688 TCL: atom 1: phi = 0.433740364485 TCL: Center of mass = 35.6524086675 -0.689070210938 -3.32548104589 TCL: atom 1: phi = 0.433527457343 TCL: Center of mass = 35.6555242988 -0.689237332312 -3.32578599266 TCL: atom 1: phi = 0.433141179798 TCL: Center of mass = 35.6586345285 -0.689400511851 -3.32608322583 TCL: atom 1: phi = 0.432989260857 TCL: Center of mass = 35.6617365918 -0.689568337728 -3.32638425992 TCL: atom 1: phi = 0.432690216819 TCL: Center of mass = 35.6648434077 -0.689742606094 -3.32668650369 TCL: atom 1: phi = 0.432763869619 TCL: Center of mass = 35.6679450522 -0.689911905349 -3.32698539797 TCL: atom 1: phi = 0.432752431139 TCL: Center of mass = 35.6710555566 -0.690078279036 -3.32728472133 TCL: atom 1: phi = 0.43319134652 TCL: Center of mass = 35.6741766366 -0.690244931888 -3.32759166172 TCL: atom 1: phi = 0.4336302974 TCL: Center of mass = 35.6772957772 -0.690416758644 -3.32790133573 TCL: atom 1: phi = 0.43448808284 TCL: Center of mass = 35.6804195015 -0.690584321873 -3.32821394754 TCL: atom 1: phi = 0.435287506433 TCL: Center of mass = 35.6835407139 -0.690754372294 -3.32851220492 TCL: atom 1: phi = 0.436442520381 TCL: Center of mass = 35.6866560686 -0.690918980629 -3.32881696795 TCL: atom 1: phi = 0.437378942797 TCL: Center of mass = 35.6897798231 -0.691087677183 -3.32912107275 TCL: atom 1: phi = 0.438563229769 TCL: Center of mass = 35.6929025325 -0.69124668663 -3.32943207148 TCL: atom 1: phi = 0.439383122458 TCL: Center of mass = 35.6960185656 -0.691404397514 -3.32973728895 TCL: atom 1: phi = 0.440369436788 TCL: Center of mass = 35.6991351489 -0.691563002897 -3.33004133374 TCL: atom 1: phi = 0.44096102427 TCL: Center of mass = 35.7022515712 -0.691718341905 -3.33034325104 TCL: atom 1: phi = 0.441732231827 TCL: Center of mass = 35.70536818 -0.691883807888 -3.33064178046 TCL: atom 1: phi = 0.442201144067 TCL: Center of mass = 35.7084911931 -0.692054353964 -3.33093342256 TCL: atom 1: phi = 0.44284856303 TCL: Center of mass = 35.7116166566 -0.692220042982 -3.3312277538 TCL: atom 1: phi = 0.44307368574 TCL: Center of mass = 35.7147269508 -0.692392065124 -3.33152247788 TCL: atom 1: phi = 0.443438984631 TCL: Center of mass = 35.7178344591 -0.692558041414 -3.33182592205 TCL: atom 1: phi = 0.443358768518 TCL: Center of mass = 35.7209296184 -0.692718394089 -3.332109943 TCL: atom 1: phi = 0.44341660607 TCL: Center of mass = 35.7240286816 -0.692887297732 -3.33239729503 TCL: atom 1: phi = 0.443090839544 TCL: Center of mass = 35.7271305872 -0.693048841536 -3.33268516342 TCL: atom 1: phi = 0.443048358618 TCL: Center of mass = 35.7302462995 -0.693209220764 -3.33297512789 TCL: atom 1: phi = 0.442736697524 TCL: Center of mass = 35.7333652281 -0.693371164284 -3.33326481358 TCL: atom 1: phi = 0.442786748326 TCL: Center of mass = 35.7364812362 -0.693526920227 -3.33355559848 TCL: atom 1: phi = 0.442635785698 TCL: Center of mass = 35.739588703 -0.693678435479 -3.33385305114 TCL: atom 1: phi = 0.442800469776 TCL: Center of mass = 35.7427046673 -0.693836688668 -3.33415154769 TCL: atom 1: phi = 0.442704779127 TCL: Center of mass = 35.7458207176 -0.694007750006 -3.33444950718 TCL: atom 1: phi = 0.442791499544 TCL: Center of mass = 35.7489348122 -0.694185142259 -3.33475280247 TCL: atom 1: phi = 0.442542670084 TCL: Center of mass = 35.7520503662 -0.69436648994 -3.33506183293 TCL: atom 1: phi = 0.442448067018 TCL: Center of mass = 35.7551737517 -0.694540471684 -3.33536273694 TCL: atom 1: phi = 0.441986562766 TCL: Center of mass = 35.7582939542 -0.694716079427 -3.33567808019 TCL: atom 1: phi = 0.441663480038 TCL: Center of mass = 35.7614195963 -0.694876922997 -3.33598988106 TCL: atom 1: phi = 0.441012656893 TCL: Center of mass = 35.7645388034 -0.695034327662 -3.33631295814 TCL: atom 1: phi = 0.440500273686 TCL: Center of mass = 35.7676625526 -0.695172316082 -3.33663728546 TCL: atom 1: phi = 0.439713986251 TCL: Center of mass = 35.7707906827 -0.695291543822 -3.33696851146 TCL: atom 1: phi = 0.439108232122 TCL: Center of mass = 35.7739210464 -0.695409034918 -3.337287317 TCL: atom 1: phi = 0.438169714885 TCL: Center of mass = 35.7770573786 -0.695535085069 -3.33760528579 TCL: atom 1: phi = 0.437390493784 TCL: Center of mass = 35.7801847268 -0.69565778483 -3.33792813959 TCL: atom 1: phi = 0.436385191195 TCL: Center of mass = 35.7833198282 -0.695779737433 -3.33825655643 TCL: atom 1: phi = 0.435551593907 TIMING: 12500 CPU: 2142.42, 0.172204/step Wall: 2618.74, 0.210946/step, 0.439472 hours remaining, 22051 kB of memory in use. ENERGY: 12500 414.2186 690.6562 405.8140 34.1466 -2768.3185 -223.9646 0.0000 0.0000 1166.9299 -280.5179 318.0210 -272.2704 -271.3838 314.1746 446.3499 597.3333 64000.0000 857.0760 854.2100 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12500 WRITING COORDINATES TO DCD FILE AT STEP 12500 WRITING COORDINATES TO RESTART FILE AT STEP 12500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 35.7864542038 -0.695892830118 -3.33858419896 TCL: atom 1: phi = 0.434551390597 TCL: Center of mass = 35.789592534 -0.695999229738 -3.33889853596 TCL: atom 1: phi = 0.433796585386 TCL: Center of mass = 35.7927366492 -0.696113046438 -3.33921511448 TCL: atom 1: phi = 0.433083455569 TCL: Center of mass = 35.7958767127 -0.696231991967 -3.33952935267 TCL: atom 1: phi = 0.43274107703 TCL: Center of mass = 35.799022397 -0.696355777464 -3.33983600164 TCL: atom 1: phi = 0.432518861842 TCL: Center of mass = 35.8021585395 -0.696486464357 -3.34012529535 TCL: atom 1: phi = 0.432700320137 TCL: Center of mass = 35.805295845 -0.696625950671 -3.34040495973 TCL: atom 1: phi = 0.432987618554 TCL: Center of mass = 35.8084300071 -0.696760337731 -3.34068313554 TCL: atom 1: phi = 0.433608106066 TCL: Center of mass = 35.8115669454 -0.696890490469 -3.34096972925 TCL: atom 1: phi = 0.434193870336 TCL: Center of mass = 35.8146957142 -0.697018610738 -3.34126438651 TCL: atom 1: phi = 0.434976203016 TCL: Center of mass = 35.8178229644 -0.697143209228 -3.34157412604 TCL: atom 1: phi = 0.435695463597 TCL: Center of mass = 35.8209455931 -0.697270492981 -3.34188891792 TCL: atom 1: phi = 0.436616168736 TCL: Center of mass = 35.824075693 -0.697383241029 -3.34219546915 TCL: atom 1: phi = 0.437420336004 TCL: Center of mass = 35.8272034673 -0.697508765572 -3.34250408728 TCL: atom 1: phi = 0.438385062956 TCL: Center of mass = 35.8303319097 -0.697629348031 -3.34281421088 TCL: atom 1: phi = 0.439243967955 TCL: Center of mass = 35.8334744986 -0.697757275629 -3.34312453176 TCL: atom 1: phi = 0.440345067571 TCL: Center of mass = 35.8366163211 -0.69789055325 -3.34342282692 TCL: atom 1: phi = 0.441287260857 TCL: Center of mass = 35.8397750286 -0.69802748134 -3.34372289721 TCL: atom 1: phi = 0.442344509586 TCL: Center of mass = 35.8429409031 -0.698170910043 -3.34402247829 TCL: atom 1: phi = 0.443045184259 TCL: Center of mass = 35.8461116092 -0.698309303137 -3.34431801995 TCL: atom 1: phi = 0.443833055417 TCL: Center of mass = 35.8492808839 -0.698442608718 -3.34460905447 TCL: atom 1: phi = 0.444327390754 TCL: Center of mass = 35.8524493649 -0.698563574671 -3.34489759378 TCL: atom 1: phi = 0.445000281913 TCL: Center of mass = 35.855629504 -0.698682146401 -3.34518070456 TCL: atom 1: phi = 0.445495849757 TCL: Center of mass = 35.8588079206 -0.698797456665 -3.34546569884 TCL: atom 1: phi = 0.446256838725 TCL: Center of mass = 35.8619933853 -0.698914524358 -3.34574375255 TCL: atom 1: phi = 0.446925715106 TCL: Center of mass = 35.8651780585 -0.699041757263 -3.34601859588 TCL: atom 1: phi = 0.447911465876 TCL: Center of mass = 35.8683607843 -0.699167040684 -3.34630123766 TCL: atom 1: phi = 0.448715477721 TCL: Center of mass = 35.871544222 -0.699289991964 -3.34658543695 TCL: atom 1: phi = 0.449706219365 TCL: Center of mass = 35.8747317138 -0.699414124035 -3.34685975613 TCL: atom 1: phi = 0.45036409899 TCL: Center of mass = 35.8779133374 -0.699540395447 -3.34713523385 TCL: atom 1: phi = 0.451093352116 TCL: Center of mass = 35.8811048979 -0.699675574131 -3.34739803254 TCL: atom 1: phi = 0.45131655939 TCL: Center of mass = 35.8842937083 -0.699805566947 -3.34766463382 TCL: atom 1: phi = 0.451624458436 TCL: Center of mass = 35.8874852273 -0.69992525694 -3.34793278974 TCL: atom 1: phi = 0.451552320936 TCL: Center of mass = 35.890675544 -0.700047703152 -3.34819685785 TCL: atom 1: phi = 0.451622584522 TCL: Center of mass = 35.8938655559 -0.700181435858 -3.34846837668 TCL: atom 1: phi = 0.45140385254 TCL: Center of mass = 35.8970500758 -0.700302952374 -3.34873899675 TCL: atom 1: phi = 0.451431741461 TCL: Center of mass = 35.9002322138 -0.700441395642 -3.34901905271 TCL: atom 1: phi = 0.451163769585 TCL: Center of mass = 35.903413907 -0.700585638816 -3.34929525707 TCL: atom 1: phi = 0.451144445794 TCL: Center of mass = 35.9065917773 -0.700743389036 -3.34957156983 TCL: atom 1: phi = 0.450720204881 TCL: Center of mass = 35.9097662526 -0.700890469771 -3.34984444879 TCL: atom 1: phi = 0.450459086041 TCL: Center of mass = 35.9129454024 -0.701038394255 -3.3501087065 TCL: atom 1: phi = 0.449922269774 TCL: Center of mass = 35.9161218942 -0.70119130555 -3.35037659653 TCL: atom 1: phi = 0.449664563368 TCL: Center of mass = 35.9192953919 -0.701347526906 -3.35065514237 TCL: atom 1: phi = 0.449279203215 TCL: Center of mass = 35.9224662318 -0.701498653959 -3.35094458605 TCL: atom 1: phi = 0.449347069444 TCL: Center of mass = 35.9256423821 -0.701658204354 -3.351238045 TCL: atom 1: phi = 0.449360422107 TCL: Center of mass = 35.928828925 -0.701813503319 -3.35153041089 TCL: atom 1: phi = 0.449885869108 TCL: Center of mass = 35.9320134103 -0.701969491193 -3.35182114721 TCL: atom 1: phi = 0.450307024397 TCL: Center of mass = 35.9351964926 -0.702112791238 -3.35210449342 TCL: atom 1: phi = 0.451075072451 TCL: Center of mass = 35.9383926369 -0.702259740301 -3.35239264494 TCL: atom 1: phi = 0.451612411584 TCL: Center of mass = 35.9415870847 -0.702392311498 -3.35268960801 TCL: atom 1: phi = 0.452406803668 TCL: Center of mass = 35.9447784145 -0.702543486032 -3.35297885419 TCL: atom 1: phi = 0.452896023635 TCL: Center of mass = 35.9479731655 -0.70268960755 -3.35327682364 TCL: atom 1: phi = 0.45363798873 TCL: Center of mass = 35.9511835153 -0.702842104636 -3.35357658849 TCL: atom 1: phi = 0.454105750572 TCL: Center of mass = 35.9543986276 -0.702991848591 -3.35388177037 TCL: atom 1: phi = 0.454889595261 TCL: Center of mass = 35.957618289 -0.703128715904 -3.3541942343 TCL: atom 1: phi = 0.455522104996 TCL: Center of mass = 35.960836857 -0.703269608288 -3.35449697442 TCL: atom 1: phi = 0.456525687805 TCL: Center of mass = 35.9640559241 -0.703421658481 -3.35480460841 TCL: atom 1: phi = 0.457252716457 TCL: Center of mass = 35.9672847147 -0.703571238857 -3.35511179277 TCL: atom 1: phi = 0.45827745496 TCL: Center of mass = 35.970502457 -0.703730046953 -3.35541189401 TCL: atom 1: phi = 0.458917696391 TCL: Center of mass = 35.9737076035 -0.703893041413 -3.35571388432 TCL: atom 1: phi = 0.459697570381 TCL: Center of mass = 35.9768946317 -0.704052247008 -3.35600611543 TCL: atom 1: phi = 0.460026824115 TCL: Center of mass = 35.9800824566 -0.70420634325 -3.35629864982 TCL: atom 1: phi = 0.460559243983 TCL: Center of mass = 35.9832728772 -0.704353368133 -3.35658696956 TCL: atom 1: phi = 0.460625889229 TCL: Center of mass = 35.9864683749 -0.70449758256 -3.35688444338 TCL: atom 1: phi = 0.461033773221 TCL: Center of mass = 35.9896678767 -0.704654569633 -3.35717411066 TCL: atom 1: phi = 0.461048149273 TCL: Center of mass = 35.9928651959 -0.704797698143 -3.35746007472 TCL: atom 1: phi = 0.461437854535 TCL: Center of mass = 35.9960733651 -0.704939878422 -3.35774950589 TCL: atom 1: phi = 0.46140386661 TCL: Center of mass = 35.9992834133 -0.705076429539 -3.35803845437 TCL: atom 1: phi = 0.461552439803 TCL: Center of mass = 36.002491415 -0.705211588455 -3.35832282403 TCL: atom 1: phi = 0.461132025639 TCL: Center of mass = 36.0056967155 -0.705341147148 -3.35860822825 TCL: atom 1: phi = 0.4607414184 TCL: Center of mass = 36.0089021939 -0.705488929374 -3.35888440957 TCL: atom 1: phi = 0.459675188171 TCL: Center of mass = 36.0121094847 -0.705640365614 -3.3591554864 TCL: atom 1: phi = 0.458619330715 TCL: Center of mass = 36.0153240977 -0.705790513886 -3.35942502089 TCL: atom 1: phi = 0.457012729152 TCL: Center of mass = 36.0185392026 -0.705932673537 -3.35970124345 TCL: atom 1: phi = 0.455590504273 TCL: Center of mass = 36.0217552891 -0.706058803073 -3.35996606632 TCL: atom 1: phi = 0.453845666964 TCL: Center of mass = 36.0249741517 -0.706191517723 -3.36021827026 TCL: atom 1: phi = 0.452454330831 TCL: Center of mass = 36.0282000467 -0.706321722085 -3.36046700702 TCL: atom 1: phi = 0.450921943913 TCL: Center of mass = 36.0314301091 -0.706446049759 -3.3607082811 TCL: atom 1: phi = 0.449811634182 TCL: Center of mass = 36.0346585356 -0.706571782171 -3.36096276945 TCL: atom 1: phi = 0.448629758688 TCL: Center of mass = 36.0378920345 -0.706701874666 -3.36121861365 TCL: atom 1: phi = 0.447907983128 TCL: Center of mass = 36.0411216781 -0.706830747301 -3.36147077274 TCL: atom 1: phi = 0.44714416554 TCL: Center of mass = 36.044340937 -0.706966234236 -3.36172399957 TCL: atom 1: phi = 0.446826171245 TCL: Center of mass = 36.047571289 -0.707094665518 -3.3619731554 TCL: atom 1: phi = 0.446619957837 TCL: Center of mass = 36.0507959547 -0.707225480646 -3.36221544078 TCL: atom 1: phi = 0.446996216506 TCL: Center of mass = 36.054032949 -0.707363569234 -3.36246654886 TCL: atom 1: phi = 0.447567455805 TCL: Center of mass = 36.0572634488 -0.707500435105 -3.36271591631 TCL: atom 1: phi = 0.448776856338 TCL: Center of mass = 36.0605065408 -0.707648091195 -3.36296038117 TCL: atom 1: phi = 0.45016170216 TCL: Center of mass = 36.0637376028 -0.707797097409 -3.36320287356 TCL: atom 1: phi = 0.45208671203 TCL: Center of mass = 36.066969597 -0.707928383706 -3.36345345225 TCL: atom 1: phi = 0.45389991702 TCL: Center of mass = 36.0701989342 -0.708061366072 -3.3637119339 TCL: atom 1: phi = 0.456002565176 TCL: Center of mass = 36.0734319713 -0.708198045477 -3.36397668303 TCL: atom 1: phi = 0.457792930435 TCL: Center of mass = 36.0766661256 -0.70833444335 -3.36423908452 TCL: atom 1: phi = 0.459678866444 TCL: Center of mass = 36.0799012181 -0.708478641317 -3.36450257218 TCL: atom 1: phi = 0.461136880131 TCL: Center of mass = 36.083133261 -0.708612006528 -3.36477632485 TCL: atom 1: phi = 0.462685960126 TCL: Center of mass = 36.0863578097 -0.708736773057 -3.36505285794 TCL: atom 1: phi = 0.463909705819 TCL: Center of mass = 36.0895769995 -0.708871530325 -3.36534077534 TCL: atom 1: phi = 0.465366052082 TCL: Center of mass = 36.0928031196 -0.709011824813 -3.36563134402 TCL: atom 1: phi = 0.466641227707 TCL: Center of mass = 36.0960477942 -0.709154034473 -3.36591984428 TCL: atom 1: phi = 0.468142334905 TCL: Center of mass = 36.0992943214 -0.709296846388 -3.36621002955 TCL: atom 1: phi = 0.469312465822 TCL: Center of mass = 36.1025557528 -0.709429182095 -3.36648787437 TCL: atom 1: phi = 0.470671680716 TIMING: 12600 CPU: 2159.63, 0.172094/step Wall: 2639.82, 0.210752/step, 0.433213 hours remaining, 22051 kB of memory in use. ENERGY: 12600 391.4782 727.4142 417.8523 42.9550 -2765.4929 -241.9754 0.0000 0.0000 1159.3220 -268.4466 315.9477 -259.6789 -260.7335 319.3497 1367.0257 1211.0472 64000.0000 1060.3167 1061.1847 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12600 WRITING COORDINATES TO DCD FILE AT STEP 12600 WRITING COORDINATES TO RESTART FILE AT STEP 12600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 36.1058167095 -0.709548903008 -3.36676496217 TCL: atom 1: phi = 0.471632264038 TCL: Center of mass = 36.1090736718 -0.70966821089 -3.36704391057 TCL: atom 1: phi = 0.472764786691 TCL: Center of mass = 36.1123198645 -0.7097796798 -3.36732784517 TCL: atom 1: phi = 0.473596071481 TCL: Center of mass = 36.1155629749 -0.709886590178 -3.36762449485 TCL: atom 1: phi = 0.474681115002 TCL: Center of mass = 36.1188065213 -0.709990894103 -3.3679318498 TCL: atom 1: phi = 0.475463245314 TCL: Center of mass = 36.122058753 -0.710088367885 -3.36823800012 TCL: atom 1: phi = 0.476537261866 TCL: Center of mass = 36.1253086546 -0.710189245017 -3.36854345906 TCL: atom 1: phi = 0.4772997438 TCL: Center of mass = 36.1285600332 -0.710285748735 -3.3688416277 TCL: atom 1: phi = 0.478256530436 TCL: Center of mass = 36.1318205707 -0.710398433733 -3.36914217567 TCL: atom 1: phi = 0.478801118549 TCL: Center of mass = 36.135072022 -0.710510383356 -3.36943663158 TCL: atom 1: phi = 0.479337639356 TCL: Center of mass = 36.1383310213 -0.710605082084 -3.36973643645 TCL: atom 1: phi = 0.479364682843 TCL: Center of mass = 36.1415916555 -0.710708673735 -3.37004871151 TCL: atom 1: phi = 0.479386073039 TCL: Center of mass = 36.1448434717 -0.710806823083 -3.37036230515 TCL: atom 1: phi = 0.478873107014 TCL: Center of mass = 36.148094171 -0.710899621348 -3.37066086696 TCL: atom 1: phi = 0.478387691133 TCL: Center of mass = 36.151350251 -0.710987263309 -3.37095699325 TCL: atom 1: phi = 0.477542626325 TCL: Center of mass = 36.154597899 -0.711062464712 -3.37125917269 TCL: atom 1: phi = 0.476952538266 TCL: Center of mass = 36.1578529204 -0.711135004589 -3.37156599335 TCL: atom 1: phi = 0.476159325565 TCL: Center of mass = 36.1611075468 -0.711207574006 -3.37187000788 TCL: atom 1: phi = 0.475740182468 TCL: Center of mass = 36.1643642604 -0.7112901814 -3.37216513703 TCL: atom 1: phi = 0.475248594493 TCL: Center of mass = 36.1676249263 -0.711372565688 -3.37246310981 TCL: atom 1: phi = 0.47515845952 TCL: Center of mass = 36.1708870923 -0.711451357365 -3.37275260832 TCL: atom 1: phi = 0.474994997843 TCL: Center of mass = 36.1741505946 -0.711528914217 -3.37303168524 TCL: atom 1: phi = 0.475255023218 TCL: Center of mass = 36.1774094345 -0.71158539409 -3.3733046783 TCL: atom 1: phi = 0.475476719173 TCL: Center of mass = 36.1806598229 -0.711651495016 -3.37357916896 TCL: atom 1: phi = 0.476179545154 TCL: Center of mass = 36.1839146274 -0.711708141922 -3.37385490191 TCL: atom 1: phi = 0.476885181988 TCL: Center of mass = 36.1871664209 -0.711768045903 -3.37413910727 TCL: atom 1: phi = 0.47810327493 TCL: Center of mass = 36.1904279087 -0.711833339941 -3.3744286558 TCL: atom 1: phi = 0.47936169755 TCL: Center of mass = 36.1936818077 -0.711905487149 -3.37472239468 TCL: atom 1: phi = 0.48103740514 TCL: Center of mass = 36.1969266537 -0.711971453341 -3.37502218859 TCL: atom 1: phi = 0.482586784448 TCL: Center of mass = 36.2001780977 -0.712040527442 -3.37531173599 TCL: atom 1: phi = 0.484363855316 TCL: Center of mass = 36.2034267363 -0.712091894038 -3.3755946681 TCL: atom 1: phi = 0.485725685865 TCL: Center of mass = 36.2066683214 -0.712136633122 -3.37587546704 TCL: atom 1: phi = 0.487064728859 TCL: Center of mass = 36.2099079623 -0.712183549088 -3.37615358351 TCL: atom 1: phi = 0.487862039704 TCL: Center of mass = 36.2131372713 -0.712224916808 -3.37643466233 TCL: atom 1: phi = 0.488620768489 TCL: Center of mass = 36.216371183 -0.712271088964 -3.37671815041 TCL: atom 1: phi = 0.488851708642 TCL: Center of mass = 36.219601394 -0.712317432743 -3.37699354339 TCL: atom 1: phi = 0.489162955541 TCL: Center of mass = 36.2228428919 -0.712361201315 -3.37727041254 TCL: atom 1: phi = 0.489073909394 TCL: Center of mass = 36.2260875906 -0.712411399435 -3.3775358581 TCL: atom 1: phi = 0.489138962042 TCL: Center of mass = 36.2293211546 -0.71245271563 -3.37779861645 TCL: atom 1: phi = 0.488833340965 TCL: Center of mass = 36.2325543099 -0.712509101235 -3.37807043848 TCL: atom 1: phi = 0.488633449753 TCL: Center of mass = 36.2358046312 -0.712578817529 -3.37834431274 TCL: atom 1: phi = 0.488158557009 TCL: Center of mass = 36.2390519063 -0.712651249603 -3.37861450986 TCL: atom 1: phi = 0.487837058088 TCL: Center of mass = 36.2422993454 -0.712726264236 -3.37888179886 TCL: atom 1: phi = 0.487322566987 TCL: Center of mass = 36.2455338064 -0.712796698209 -3.37914550512 TCL: atom 1: phi = 0.486961257794 TCL: Center of mass = 36.2487650921 -0.712869355592 -3.37940858548 TCL: atom 1: phi = 0.486382862562 TCL: Center of mass = 36.251993678 -0.712943609554 -3.37967682332 TCL: atom 1: phi = 0.486120480931 TCL: Center of mass = 36.2552310528 -0.713023865361 -3.37995512908 TCL: atom 1: phi = 0.485752195134 TCL: Center of mass = 36.2584774265 -0.713105252228 -3.38022726658 TCL: atom 1: phi = 0.485690790162 TCL: Center of mass = 36.2617266675 -0.713192728853 -3.38050037372 TCL: atom 1: phi = 0.485518812088 TCL: Center of mass = 36.2649804062 -0.713277397958 -3.38076618779 TCL: atom 1: phi = 0.485456442182 TCL: Center of mass = 36.2682262075 -0.713344920953 -3.38102993834 TCL: atom 1: phi = 0.485141762746 TCL: Center of mass = 36.2714706773 -0.713411218219 -3.38128897028 TCL: atom 1: phi = 0.484886949633 TCL: Center of mass = 36.2747204129 -0.713461032008 -3.38154254304 TCL: atom 1: phi = 0.484302577509 TCL: Center of mass = 36.2779677355 -0.713504052539 -3.3817994993 TCL: atom 1: phi = 0.483818322228 TCL: Center of mass = 36.2812170911 -0.713538195951 -3.38205083815 TCL: atom 1: phi = 0.483156816172 TCL: Center of mass = 36.2844656079 -0.713575710113 -3.38229384283 TCL: atom 1: phi = 0.482707483507 TCL: Center of mass = 36.2877177718 -0.713614219677 -3.38254669284 TCL: atom 1: phi = 0.482221972738 TCL: Center of mass = 36.2909645221 -0.713656627777 -3.3828062392 TCL: atom 1: phi = 0.482150086364 TCL: Center of mass = 36.2942090032 -0.713696157072 -3.38305819394 TCL: atom 1: phi = 0.482100132993 TCL: Center of mass = 36.2974739727 -0.71374703738 -3.38331526588 TCL: atom 1: phi = 0.482428876941 TCL: Center of mass = 36.3007395995 -0.713802167372 -3.38357329889 TCL: atom 1: phi = 0.482814892616 TCL: Center of mass = 36.3040111334 -0.713851447204 -3.38383412737 TCL: atom 1: phi = 0.483584707912 TCL: Center of mass = 36.3072837399 -0.713915848056 -3.38407805065 TCL: atom 1: phi = 0.48440078791 TCL: Center of mass = 36.3105511777 -0.713990031933 -3.38431333963 TCL: atom 1: phi = 0.485615072457 TCL: Center of mass = 36.3138154594 -0.71405962324 -3.38455371612 TCL: atom 1: phi = 0.486830535953 TCL: Center of mass = 36.3170716968 -0.714123127826 -3.3847960455 TCL: atom 1: phi = 0.488425687205 TCL: Center of mass = 36.3203260129 -0.714190402373 -3.38503787027 TCL: atom 1: phi = 0.490010430813 TCL: Center of mass = 36.3235909619 -0.714261615122 -3.38527961663 TCL: atom 1: phi = 0.491895977663 TCL: Center of mass = 36.3268561286 -0.714343698907 -3.38552103732 TCL: atom 1: phi = 0.49368294454 TCL: Center of mass = 36.3301185534 -0.714426512572 -3.3857714807 TCL: atom 1: phi = 0.495621971149 TCL: Center of mass = 36.3333985158 -0.714511823863 -3.38601906257 TCL: atom 1: phi = 0.497277754356 TCL: Center of mass = 36.3366776279 -0.714596923174 -3.38626268625 TCL: atom 1: phi = 0.498982651485 TCL: Center of mass = 36.3399450604 -0.714688490829 -3.38650947835 TCL: atom 1: phi = 0.500245090649 TCL: Center of mass = 36.3432115713 -0.714783904079 -3.3867515222 TCL: atom 1: phi = 0.50145382864 TCL: Center of mass = 36.3464699067 -0.714872045865 -3.38698905591 TCL: atom 1: phi = 0.502182049272 TCL: Center of mass = 36.3497237452 -0.714964592519 -3.38722020899 TCL: atom 1: phi = 0.502903949055 TCL: Center of mass = 36.3529838294 -0.715057265058 -3.38743699977 TCL: atom 1: phi = 0.503201617413 TCL: Center of mass = 36.3562419578 -0.715155680949 -3.38764268153 TCL: atom 1: phi = 0.503602619772 TCL: Center of mass = 36.3594971885 -0.715250195923 -3.38785745905 TCL: atom 1: phi = 0.503664902988 TCL: Center of mass = 36.3627663849 -0.715347402995 -3.38806979997 TCL: atom 1: phi = 0.503887117064 TCL: Center of mass = 36.3660200623 -0.715445507795 -3.38827656278 TCL: atom 1: phi = 0.503794230827 TCL: Center of mass = 36.3692746734 -0.715532927286 -3.38847578928 TCL: atom 1: phi = 0.503880274403 TCL: Center of mass = 36.3725303554 -0.715632613808 -3.38866694024 TCL: atom 1: phi = 0.503701792686 TCL: Center of mass = 36.3757948872 -0.715727218087 -3.38886739029 TCL: atom 1: phi = 0.503665883306 TCL: Center of mass = 36.3790517639 -0.715830094655 -3.38905740655 TCL: atom 1: phi = 0.503390938463 TCL: Center of mass = 36.3823219453 -0.715928459197 -3.38923413769 TCL: atom 1: phi = 0.50326365744 TCL: Center of mass = 36.3855883433 -0.716020496973 -3.38940352685 TCL: atom 1: phi = 0.502922220884 TCL: Center of mass = 36.3888420082 -0.716112534019 -3.38956571619 TCL: atom 1: phi = 0.502757473164 TCL: Center of mass = 36.3920832633 -0.716205144476 -3.38973644628 TCL: atom 1: phi = 0.502454712482 TCL: Center of mass = 36.3953293756 -0.716300463259 -3.38990973634 TCL: atom 1: phi = 0.502279170443 TCL: Center of mass = 36.3985838132 -0.716393680804 -3.39008303386 TCL: atom 1: phi = 0.501815519403 TCL: Center of mass = 36.4018225679 -0.716484147468 -3.39025501434 TCL: atom 1: phi = 0.501380814423 TCL: Center of mass = 36.4050658092 -0.716572416912 -3.39041719885 TCL: atom 1: phi = 0.500697241908 TCL: Center of mass = 36.4083051073 -0.716667036272 -3.39058279992 TCL: atom 1: phi = 0.500099973669 TCL: Center of mass = 36.4115501873 -0.716766312636 -3.39075211762 TCL: atom 1: phi = 0.499169151748 TCL: Center of mass = 36.4147935763 -0.716854854149 -3.39092860863 TCL: atom 1: phi = 0.498185056474 TCL: Center of mass = 36.4180371477 -0.716952317701 -3.39110956421 TCL: atom 1: phi = 0.496919412699 TCL: Center of mass = 36.4212991655 -0.717057701832 -3.39128872877 TCL: atom 1: phi = 0.495752502295 TCL: Center of mass = 36.4245740109 -0.717160461826 -3.39146031672 TCL: atom 1: phi = 0.494404559415 TCL: Center of mass = 36.427849737 -0.71726091726 -3.39162465962 TCL: atom 1: phi = 0.493226747404 TIMING: 12700 CPU: 2176.84, 0.172054/step Wall: 2660.89, 0.210733/step, 0.42732 hours remaining, 22051 kB of memory in use. ENERGY: 12700 412.8983 690.9467 435.4806 47.6132 -2799.4366 -212.4656 0.0000 0.0000 1174.3041 -250.6591 320.0307 -242.3438 -241.5093 319.9307 1113.4448 1076.3032 64000.0000 915.6960 915.2665 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12700 WRITING COORDINATES TO DCD FILE AT STEP 12700 WRITING COORDINATES TO RESTART FILE AT STEP 12700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 36.4311263653 -0.717358821281 -3.39178825191 TCL: atom 1: phi = 0.492042344806 TCL: Center of mass = 36.434398752 -0.717462804654 -3.39194484638 TCL: atom 1: phi = 0.491088948105 TCL: Center of mass = 36.4376658756 -0.717558748638 -3.39210112785 TCL: atom 1: phi = 0.490089978114 TCL: Center of mass = 36.4409255854 -0.717654496852 -3.39225631984 TCL: atom 1: phi = 0.489270510061 TCL: Center of mass = 36.4441802607 -0.717754125584 -3.39240685679 TCL: atom 1: phi = 0.488372234924 TCL: Center of mass = 36.4474355649 -0.717853085763 -3.39255956621 TCL: atom 1: phi = 0.487597083885 TCL: Center of mass = 36.4507073579 -0.717941707017 -3.39271972505 TCL: atom 1: phi = 0.486751157878 TCL: Center of mass = 36.4539812204 -0.718031913574 -3.39287585791 TCL: atom 1: phi = 0.48604722029 TCL: Center of mass = 36.4572568995 -0.718129272705 -3.39303040781 TCL: atom 1: phi = 0.485262770491 TCL: Center of mass = 36.460527309 -0.718233057825 -3.39317490476 TCL: atom 1: phi = 0.484625901762 TCL: Center of mass = 36.4637942557 -0.718345404715 -3.39330686663 TCL: atom 1: phi = 0.483922967103 TCL: Center of mass = 36.4670559236 -0.71846525485 -3.39343289225 TCL: atom 1: phi = 0.483342162229 TCL: Center of mass = 36.4703035478 -0.718587858726 -3.39356200111 TCL: atom 1: phi = 0.482629184471 TCL: Center of mass = 36.4735399905 -0.718713526601 -3.39370465711 TCL: atom 1: phi = 0.481975850601 TCL: Center of mass = 36.476775093 -0.718830240536 -3.39384564378 TCL: atom 1: phi = 0.481218044373 TCL: Center of mass = 36.480013928 -0.718942544931 -3.3939862663 TCL: atom 1: phi = 0.48056070346 TCL: Center of mass = 36.4832369233 -0.71904460857 -3.39412383464 TCL: atom 1: phi = 0.479795209842 TCL: Center of mass = 36.4864684525 -0.719158747156 -3.39425174678 TCL: atom 1: phi = 0.479143801829 TCL: Center of mass = 36.4896990761 -0.719284411833 -3.39438515368 TCL: atom 1: phi = 0.478476886886 TCL: Center of mass = 36.4929329707 -0.71941609785 -3.39450966682 TCL: atom 1: phi = 0.47800360659 TCL: Center of mass = 36.4961681568 -0.719546621407 -3.39461914026 TCL: atom 1: phi = 0.477564828482 TCL: Center of mass = 36.4994053787 -0.719672232206 -3.39473698553 TCL: atom 1: phi = 0.477354790443 TCL: Center of mass = 36.5026330361 -0.719798856937 -3.39485946774 TCL: atom 1: phi = 0.477194000219 TCL: Center of mass = 36.5058631781 -0.71993651233 -3.39499252913 TCL: atom 1: phi = 0.47740627867 TCL: Center of mass = 36.5090941557 -0.720073036859 -3.39511149859 TCL: atom 1: phi = 0.477702411437 TCL: Center of mass = 36.5123263861 -0.720221907602 -3.39523317992 TCL: atom 1: phi = 0.478341153267 TCL: Center of mass = 36.5155493929 -0.72037368499 -3.39536086906 TCL: atom 1: phi = 0.479020005719 TCL: Center of mass = 36.5187770002 -0.720513517288 -3.39548592523 TCL: atom 1: phi = 0.47996897628 TCL: Center of mass = 36.5219950008 -0.720644557311 -3.39561971458 TCL: atom 1: phi = 0.480854501657 TCL: Center of mass = 36.5251995453 -0.720772007758 -3.39576623915 TCL: atom 1: phi = 0.482027174175 TCL: Center of mass = 36.5284032468 -0.72089932514 -3.39591385466 TCL: atom 1: phi = 0.483068737318 TCL: Center of mass = 36.5316010877 -0.721016667388 -3.39605160661 TCL: atom 1: phi = 0.48434368309 TCL: Center of mass = 36.5347862874 -0.721137093425 -3.39618560477 TCL: atom 1: phi = 0.485445577802 TCL: Center of mass = 36.53798088 -0.721250730901 -3.39633213996 TCL: atom 1: phi = 0.486830595759 TCL: Center of mass = 36.54117658 -0.721350197519 -3.39646702803 TCL: atom 1: phi = 0.487912918087 TCL: Center of mass = 36.5443662012 -0.72145384104 -3.39659362943 TCL: atom 1: phi = 0.489147547323 TCL: Center of mass = 36.5475572166 -0.721544950102 -3.39670943891 TCL: atom 1: phi = 0.489947338866 TCL: Center of mass = 36.5507501982 -0.721632101078 -3.39682581035 TCL: atom 1: phi = 0.490877899951 TCL: Center of mass = 36.5539367274 -0.72171856188 -3.39694195367 TCL: atom 1: phi = 0.491359173104 TCL: Center of mass = 36.5571292006 -0.721802624268 -3.39705736899 TCL: atom 1: phi = 0.492041756349 TCL: Center of mass = 36.5603146502 -0.72189727658 -3.39716089811 TCL: atom 1: phi = 0.492280662009 TCL: Center of mass = 36.5635012541 -0.721985489503 -3.39726696948 TCL: atom 1: phi = 0.492746830959 TCL: Center of mass = 36.5666936535 -0.722076312728 -3.39738283801 TCL: atom 1: phi = 0.492794625089 TCL: Center of mass = 36.5698855488 -0.722166328269 -3.39749768932 TCL: atom 1: phi = 0.493218526736 TCL: Center of mass = 36.5730616263 -0.72226506728 -3.39760427545 TCL: atom 1: phi = 0.493321013766 TCL: Center of mass = 36.576234097 -0.722356304793 -3.39770436206 TCL: atom 1: phi = 0.493843723025 TCL: Center of mass = 36.5794098805 -0.722447533189 -3.39780866834 TCL: atom 1: phi = 0.494044820609 TCL: Center of mass = 36.5825880399 -0.722550745092 -3.39791021692 TCL: atom 1: phi = 0.494645219086 TCL: Center of mass = 36.5857713667 -0.722650525712 -3.39803052105 TCL: atom 1: phi = 0.494836512746 TCL: Center of mass = 36.5889604721 -0.722736272217 -3.39814439595 TCL: atom 1: phi = 0.49540513198 TCL: Center of mass = 36.5921418374 -0.722810126181 -3.39825923431 TCL: atom 1: phi = 0.495567106425 TCL: Center of mass = 36.5953180397 -0.722880317321 -3.39837550052 TCL: atom 1: phi = 0.496045181796 TCL: Center of mass = 36.5985015291 -0.722952778647 -3.39850376111 TCL: atom 1: phi = 0.496156335237 TCL: Center of mass = 36.6016841142 -0.723021996162 -3.39864026114 TCL: atom 1: phi = 0.49661839102 TCL: Center of mass = 36.6048608275 -0.723097590148 -3.39876793531 TCL: atom 1: phi = 0.496635508433 TCL: Center of mass = 36.6080382021 -0.723181621333 -3.39887907852 TCL: atom 1: phi = 0.496941836463 TCL: Center of mass = 36.6112159824 -0.723259701699 -3.39899638757 TCL: atom 1: phi = 0.496762168337 TCL: Center of mass = 36.6143837495 -0.723337139528 -3.39911776406 TCL: atom 1: phi = 0.496853729974 TCL: Center of mass = 36.6175550991 -0.723408397266 -3.39923907664 TCL: atom 1: phi = 0.496350353258 TCL: Center of mass = 36.6207413976 -0.723482575928 -3.3993698893 TCL: atom 1: phi = 0.49610804072 TCL: Center of mass = 36.6239276007 -0.723557187234 -3.39950259867 TCL: atom 1: phi = 0.495364218314 TCL: Center of mass = 36.6271093277 -0.723634869636 -3.39964945632 TCL: atom 1: phi = 0.494947353291 TCL: Center of mass = 36.6302889843 -0.723709695474 -3.39980192293 TCL: atom 1: phi = 0.494102601491 TCL: Center of mass = 36.6334614616 -0.723791581958 -3.39996679287 TCL: atom 1: phi = 0.493660269898 TCL: Center of mass = 36.6366243292 -0.723871591903 -3.40013637047 TCL: atom 1: phi = 0.492792310296 TCL: Center of mass = 36.6397896908 -0.723946384939 -3.40032071328 TCL: atom 1: phi = 0.492237006899 TCL: Center of mass = 36.642956384 -0.724003378138 -3.4004989074 TCL: atom 1: phi = 0.491242316195 TCL: Center of mass = 36.6461257008 -0.724071391031 -3.40068382564 TCL: atom 1: phi = 0.490513142146 TCL: Center of mass = 36.6492979597 -0.724148953786 -3.40087853006 TCL: atom 1: phi = 0.489320665939 TCL: Center of mass = 36.6524753078 -0.724228788542 -3.40107008206 TCL: atom 1: phi = 0.488391567859 TCL: Center of mass = 36.655666828 -0.724322827189 -3.4012614904 TCL: atom 1: phi = 0.486960839823 TCL: Center of mass = 36.6588615699 -0.724407939631 -3.40146157018 TCL: atom 1: phi = 0.485718311482 TCL: Center of mass = 36.6620537141 -0.72448563867 -3.40166712457 TCL: atom 1: phi = 0.484082023168 TCL: Center of mass = 36.6652412839 -0.724566673047 -3.40187096391 TCL: atom 1: phi = 0.482683327909 TCL: Center of mass = 36.6684200421 -0.724638738004 -3.40207128897 TCL: atom 1: phi = 0.481024404296 TCL: Center of mass = 36.6716092601 -0.724712929062 -3.40226353802 TCL: atom 1: phi = 0.479725728046 TCL: Center of mass = 36.6748038494 -0.724787257807 -3.40245566869 TCL: atom 1: phi = 0.478251578128 TCL: Center of mass = 36.6780004019 -0.724859267347 -3.40264297518 TCL: atom 1: phi = 0.477128956491 TCL: Center of mass = 36.6811900284 -0.724928235468 -3.40281873229 TCL: atom 1: phi = 0.475814980958 TCL: Center of mass = 36.6843749105 -0.724999398438 -3.40299694436 TCL: atom 1: phi = 0.474822003524 TCL: Center of mass = 36.6875582967 -0.725074795373 -3.40317053259 TCL: atom 1: phi = 0.473724662379 TCL: Center of mass = 36.6907361121 -0.725154723816 -3.4033509053 TCL: atom 1: phi = 0.473064953904 TCL: Center of mass = 36.6939086282 -0.725252792008 -3.40352297432 TCL: atom 1: phi = 0.472405930428 TCL: Center of mass = 36.6970835389 -0.725357254804 -3.40367452075 TCL: atom 1: phi = 0.472256366495 TCL: Center of mass = 36.7002630021 -0.725448884468 -3.40382064959 TCL: atom 1: phi = 0.472104723336 TCL: Center of mass = 36.7034441462 -0.725544677582 -3.40395531805 TCL: atom 1: phi = 0.472407477433 TCL: Center of mass = 36.7066295643 -0.725643507136 -3.40408332888 TCL: atom 1: phi = 0.472698568185 TCL: Center of mass = 36.7098210961 -0.725738573703 -3.40420619323 TCL: atom 1: phi = 0.473366938549 TCL: Center of mass = 36.7130204333 -0.725824870976 -3.40431972442 TCL: atom 1: phi = 0.473906911267 TCL: Center of mass = 36.7162183836 -0.725918264527 -3.40443292505 TCL: atom 1: phi = 0.474654118232 TCL: Center of mass = 36.7194163611 -0.726011891522 -3.40453419404 TCL: atom 1: phi = 0.475174975933 TCL: Center of mass = 36.7226178974 -0.726118661214 -3.40463485462 TCL: atom 1: phi = 0.475935688842 TCL: Center of mass = 36.7258152243 -0.726222348815 -3.40473436782 TCL: atom 1: phi = 0.476487738907 TCL: Center of mass = 36.7290181587 -0.726324578207 -3.40482525881 TCL: atom 1: phi = 0.477365790439 TCL: Center of mass = 36.7322233815 -0.726425439521 -3.40492494937 TCL: atom 1: phi = 0.47803376618 TCL: Center of mass = 36.735434012 -0.726527337758 -3.40502127576 TCL: atom 1: phi = 0.47901536694 TCL: Center of mass = 36.738641418 -0.726617959499 -3.40511130989 TCL: atom 1: phi = 0.479748571869 TCL: Center of mass = 36.7418478178 -0.726699947212 -3.40520504939 TCL: atom 1: phi = 0.480794466949 TCL: Center of mass = 36.7450527585 -0.726791130119 -3.40530212856 TCL: atom 1: phi = 0.481498888092 TCL: Center of mass = 36.7482556441 -0.726878020982 -3.40539911981 TCL: atom 1: phi = 0.482350199133 TIMING: 12800 CPU: 2194.05, 0.172084/step Wall: 2681.96, 0.210648/step, 0.421295 hours remaining, 22051 kB of memory in use. ENERGY: 12800 404.1170 695.4220 414.1408 43.1205 -2771.9402 -243.6880 0.0000 0.0000 1192.0116 -266.8163 324.8565 -259.0536 -256.0998 321.8273 418.3094 618.8143 64000.0000 1180.0208 1183.5556 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12800 WRITING COORDINATES TO DCD FILE AT STEP 12800 WRITING COORDINATES TO RESTART FILE AT STEP 12800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 36.7514633828 -0.726976863156 -3.40550648407 TCL: atom 1: phi = 0.482842061825 TCL: Center of mass = 36.7546566536 -0.727074554887 -3.40561843079 TCL: atom 1: phi = 0.483525726576 TCL: Center of mass = 36.7578504544 -0.727178031438 -3.40572303265 TCL: atom 1: phi = 0.48383389271 TCL: Center of mass = 36.7610364617 -0.72728320937 -3.40582666325 TCL: atom 1: phi = 0.484437497143 TCL: Center of mass = 36.7642203779 -0.727391391184 -3.40593854186 TCL: atom 1: phi = 0.484664590366 TCL: Center of mass = 36.7674011082 -0.72750647508 -3.40604708457 TCL: atom 1: phi = 0.485104422824 TCL: Center of mass = 36.7705759082 -0.727622313653 -3.40616667979 TCL: atom 1: phi = 0.485121306432 TCL: Center of mass = 36.7737429512 -0.727734775024 -3.40629088244 TCL: atom 1: phi = 0.485282928277 TCL: Center of mass = 36.7769052139 -0.727840596001 -3.40640961358 TCL: atom 1: phi = 0.484989582983 TCL: Center of mass = 36.7800566788 -0.72794471009 -3.40653860038 TCL: atom 1: phi = 0.484832656158 TCL: Center of mass = 36.7832104483 -0.728043329041 -3.40666340747 TCL: atom 1: phi = 0.484171280477 TCL: Center of mass = 36.7863619081 -0.72814188101 -3.40678194279 TCL: atom 1: phi = 0.483609324311 TCL: Center of mass = 36.7895149889 -0.728238223049 -3.40691016258 TCL: atom 1: phi = 0.482596388972 TCL: Center of mass = 36.7926608648 -0.728338129332 -3.40702684056 TCL: atom 1: phi = 0.481743686655 TCL: Center of mass = 36.7958080515 -0.72844621694 -3.40714656975 TCL: atom 1: phi = 0.480673599144 TCL: Center of mass = 36.7989544515 -0.728551930836 -3.40725910761 TCL: atom 1: phi = 0.479955393605 TCL: Center of mass = 36.8021157615 -0.72866158293 -3.4073782317 TCL: atom 1: phi = 0.479150019655 TCL: Center of mass = 36.8052739204 -0.728768407412 -3.40749186678 TCL: atom 1: phi = 0.478705336771 TCL: Center of mass = 36.8084350039 -0.728870000364 -3.40761453268 TCL: atom 1: phi = 0.478148977478 TCL: Center of mass = 36.8115940898 -0.728971842035 -3.40773995814 TCL: atom 1: phi = 0.477947737122 TCL: Center of mass = 36.8147567477 -0.729086239917 -3.40786913525 TCL: atom 1: phi = 0.477660233638 TCL: Center of mass = 36.8179217284 -0.729200815256 -3.40800027815 TCL: atom 1: phi = 0.477732071493 TCL: Center of mass = 36.8210789416 -0.729305245814 -3.40814095442 TCL: atom 1: phi = 0.477705422046 TCL: Center of mass = 36.8242425861 -0.729407858613 -3.40828294942 TCL: atom 1: phi = 0.478073671224 TCL: Center of mass = 36.8274199593 -0.729513483001 -3.40842030874 TCL: atom 1: phi = 0.478386290419 TCL: Center of mass = 36.830600221 -0.729609859172 -3.40856691064 TCL: atom 1: phi = 0.479059759623 TCL: Center of mass = 36.833771299 -0.729695237692 -3.40870276598 TCL: atom 1: phi = 0.479642857242 TCL: Center of mass = 36.8369331158 -0.72977623722 -3.40883338584 TCL: atom 1: phi = 0.480491091429 TCL: Center of mass = 36.8400944555 -0.729851777162 -3.40896724204 TCL: atom 1: phi = 0.481137362781 TCL: Center of mass = 36.8432537903 -0.729934705007 -3.4091009801 TCL: atom 1: phi = 0.481938103541 TCL: Center of mass = 36.8464160043 -0.730009004447 -3.40924034636 TCL: atom 1: phi = 0.482361128427 TCL: Center of mass = 36.8495926727 -0.730085512366 -3.40937149148 TCL: atom 1: phi = 0.482837351592 TCL: Center of mass = 36.8527662325 -0.730165567317 -3.40949953172 TCL: atom 1: phi = 0.483003340236 TCL: Center of mass = 36.8559479768 -0.730245005618 -3.4096272527 TCL: atom 1: phi = 0.48328993229 TCL: Center of mass = 36.8591292903 -0.730326992935 -3.40975418036 TCL: atom 1: phi = 0.483444717039 TCL: Center of mass = 36.8623065421 -0.73041807061 -3.4098851194 TCL: atom 1: phi = 0.48390795995 TCL: Center of mass = 36.8654888146 -0.730514695722 -3.41002293556 TCL: atom 1: phi = 0.484316714981 TCL: Center of mass = 36.8686729279 -0.730616154031 -3.41018226688 TCL: atom 1: phi = 0.484975675815 TCL: Center of mass = 36.8718515266 -0.730724721681 -3.41034317003 TCL: atom 1: phi = 0.485509718359 TCL: Center of mass = 36.8750449194 -0.730836177618 -3.41050742 TCL: atom 1: phi = 0.486212050442 TCL: Center of mass = 36.8782408396 -0.730941969287 -3.41066343613 TCL: atom 1: phi = 0.486621590495 TCL: Center of mass = 36.8814354366 -0.731047906157 -3.41081827215 TCL: atom 1: phi = 0.487177341571 TCL: Center of mass = 36.8846355145 -0.731150722399 -3.4109727528 TCL: atom 1: phi = 0.487501302178 TCL: Center of mass = 36.8878306009 -0.731245525955 -3.41112536563 TCL: atom 1: phi = 0.488013294524 TCL: Center of mass = 36.8910309324 -0.731341371179 -3.41127849499 TCL: atom 1: phi = 0.488422029382 TCL: Center of mass = 36.8942280087 -0.73144413381 -3.41142995154 TCL: atom 1: phi = 0.48912350022 TCL: Center of mass = 36.8974345802 -0.731531659055 -3.41157803494 TCL: atom 1: phi = 0.489730592679 TCL: Center of mass = 36.9006477233 -0.731626423891 -3.41172599438 TCL: atom 1: phi = 0.49055006962 TCL: Center of mass = 36.9038660493 -0.731722415567 -3.41186840752 TCL: atom 1: phi = 0.491108488517 TCL: Center of mass = 36.9070875596 -0.731816522241 -3.41201734064 TCL: atom 1: phi = 0.491762307919 TCL: Center of mass = 36.9103005266 -0.731903490755 -3.41217798929 TCL: atom 1: phi = 0.492172618006 TCL: Center of mass = 36.9135224786 -0.732001474781 -3.4123438721 TCL: atom 1: phi = 0.492638237387 TCL: Center of mass = 36.9167485858 -0.732107239756 -3.41250020776 TCL: atom 1: phi = 0.492926001312 TCL: Center of mass = 36.919973541 -0.732218702478 -3.41265992898 TCL: atom 1: phi = 0.493472387397 TCL: Center of mass = 36.9231967089 -0.732330278439 -3.41281893775 TCL: atom 1: phi = 0.493999037252 TCL: Center of mass = 36.9264193177 -0.732432065571 -3.41297206105 TCL: atom 1: phi = 0.494842235124 TCL: Center of mass = 36.9296513094 -0.732544461963 -3.41311601137 TCL: atom 1: phi = 0.495781012992 TCL: Center of mass = 36.9328767543 -0.732652287206 -3.41326879012 TCL: atom 1: phi = 0.497143388997 TCL: Center of mass = 36.9361025261 -0.732769470724 -3.41341814345 TCL: atom 1: phi = 0.498533059705 TCL: Center of mass = 36.939335869 -0.732880387425 -3.41355254999 TCL: atom 1: phi = 0.500257109661 TCL: Center of mass = 36.9425602203 -0.73299066835 -3.41368147248 TCL: atom 1: phi = 0.501842921696 TCL: Center of mass = 36.9457904898 -0.733111838524 -3.4138189574 TCL: atom 1: phi = 0.503677725619 TCL: Center of mass = 36.9490327639 -0.733233119976 -3.41395075624 TCL: atom 1: phi = 0.505349074835 TCL: Center of mass = 36.9522762498 -0.73335739687 -3.41408138105 TCL: atom 1: phi = 0.507300919834 TCL: Center of mass = 36.955513911 -0.733484098947 -3.41420436811 TCL: atom 1: phi = 0.509079001118 TCL: Center of mass = 36.9587427868 -0.733618203061 -3.41432160145 TCL: atom 1: phi = 0.511130693277 TCL: Center of mass = 36.9619856025 -0.733739325819 -3.41444742786 TCL: atom 1: phi = 0.512952380057 TCL: Center of mass = 36.9652331045 -0.733854796728 -3.41457462322 TCL: atom 1: phi = 0.514942409308 TCL: Center of mass = 36.9684803241 -0.733962098867 -3.41470805823 TCL: atom 1: phi = 0.51646873023 TCL: Center of mass = 36.9717195702 -0.73406895977 -3.41484955895 TCL: atom 1: phi = 0.518026556335 TCL: Center of mass = 36.9749502507 -0.734171159916 -3.41499099388 TCL: atom 1: phi = 0.518854564557 TCL: Center of mass = 36.9781901328 -0.734268948063 -3.41513925795 TCL: atom 1: phi = 0.519539450852 TCL: Center of mass = 36.9814241462 -0.73436863214 -3.41528903934 TCL: atom 1: phi = 0.519453285028 TCL: Center of mass = 36.9846742547 -0.734478349288 -3.41544433808 TCL: atom 1: phi = 0.519381287244 TCL: Center of mass = 36.9879248887 -0.734593159028 -3.41560176506 TCL: atom 1: phi = 0.518768311926 TCL: Center of mass = 36.9911946994 -0.734716301201 -3.41575853147 TCL: atom 1: phi = 0.518350906891 TCL: Center of mass = 36.9944598904 -0.734845288268 -3.41592105395 TCL: atom 1: phi = 0.517546013978 TCL: Center of mass = 36.9977363698 -0.734976208075 -3.41607442496 TCL: atom 1: phi = 0.517094214996 TCL: Center of mass = 37.0009948662 -0.735106404804 -3.41622720494 TCL: atom 1: phi = 0.516272379635 TCL: Center of mass = 37.0042653397 -0.735233390379 -3.41637889906 TCL: atom 1: phi = 0.515603433047 TCL: Center of mass = 37.0075427527 -0.735367397686 -3.41653301942 TCL: atom 1: phi = 0.514478781074 TCL: Center of mass = 37.0108275229 -0.735507338446 -3.41668499006 TCL: atom 1: phi = 0.513490050811 TCL: Center of mass = 37.0141141495 -0.735647093004 -3.41683555319 TCL: atom 1: phi = 0.512194729025 TCL: Center of mass = 37.0174091297 -0.735790729619 -3.41698626101 TCL: atom 1: phi = 0.511101970948 TCL: Center of mass = 37.020704941 -0.735927908463 -3.41714138477 TCL: atom 1: phi = 0.509839804292 TCL: Center of mass = 37.0240073007 -0.736066335051 -3.41728492837 TCL: atom 1: phi = 0.508961392632 TCL: Center of mass = 37.0273060652 -0.736211222859 -3.41743646406 TCL: atom 1: phi = 0.508004489037 TCL: Center of mass = 37.0306084531 -0.736354323198 -3.41758726637 TCL: atom 1: phi = 0.507354354493 TCL: Center of mass = 37.0339113711 -0.736500619065 -3.41773545795 TCL: atom 1: phi = 0.506511180547 TCL: Center of mass = 37.0372167427 -0.736642202211 -3.41788571913 TCL: atom 1: phi = 0.50582168874 TCL: Center of mass = 37.0405350509 -0.736803262606 -3.41804105056 TCL: atom 1: phi = 0.504846062805 TCL: Center of mass = 37.043858321 -0.736958644018 -3.41819003816 TCL: atom 1: phi = 0.504000920708 TCL: Center of mass = 37.0471779165 -0.737106346608 -3.41833608503 TCL: atom 1: phi = 0.502947356997 TCL: Center of mass = 37.0505061575 -0.737264736313 -3.41849366841 TCL: atom 1: phi = 0.502061341482 TCL: Center of mass = 37.0538265749 -0.737432606803 -3.41864304393 TCL: atom 1: phi = 0.501151289843 TCL: Center of mass = 37.057170983 -0.737599106096 -3.41878290462 TCL: atom 1: phi = 0.500625030326 TCL: Center of mass = 37.0605239963 -0.737755762977 -3.4189117889 TCL: atom 1: phi = 0.50025303045 TCL: Center of mass = 37.0638764868 -0.737914025507 -3.41904725731 TCL: atom 1: phi = 0.500348780168 TCL: Center of mass = 37.0672293255 -0.738075562433 -3.41918138833 TCL: atom 1: phi = 0.500571905547 TCL: Center of mass = 37.0705981359 -0.738225041351 -3.41932199195 TCL: atom 1: phi = 0.501146424093 TIMING: 12900 CPU: 2211.26, 0.172154/step Wall: 2703.05, 0.210916/step, 0.415973 hours remaining, 22051 kB of memory in use. ENERGY: 12900 378.5471 731.5596 401.3533 52.7224 -2770.2144 -236.2587 0.0000 0.0000 1190.6794 -251.6112 324.4934 -243.3021 -242.9946 319.2006 1269.3062 1068.0293 64000.0000 842.0855 842.7072 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 12900 WRITING COORDINATES TO DCD FILE AT STEP 12900 WRITING COORDINATES TO RESTART FILE AT STEP 12900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 12900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 37.0739569523 -0.738377084953 -3.41945890455 TCL: atom 1: phi = 0.5016195711 TCL: Center of mass = 37.0773184052 -0.738529240929 -3.41960718835 TCL: atom 1: phi = 0.502273314478 TCL: Center of mass = 37.0806757426 -0.738685265074 -3.41975778066 TCL: atom 1: phi = 0.502765054354 TCL: Center of mass = 37.0840235349 -0.738847949383 -3.41990755542 TCL: atom 1: phi = 0.503465898302 TCL: Center of mass = 37.0873725936 -0.739011693239 -3.42005241672 TCL: atom 1: phi = 0.504050009038 TCL: Center of mass = 37.0907122237 -0.739183740808 -3.42019022261 TCL: atom 1: phi = 0.504892071613 TCL: Center of mass = 37.0940313612 -0.739365743081 -3.42033946362 TCL: atom 1: phi = 0.505636576035 TCL: Center of mass = 37.0973430177 -0.739551641265 -3.42047608394 TCL: atom 1: phi = 0.506646387295 TCL: Center of mass = 37.1006476588 -0.739746643361 -3.42061663238 TCL: atom 1: phi = 0.507359619974 TCL: Center of mass = 37.103940599 -0.739953463674 -3.42075310523 TCL: atom 1: phi = 0.508115812271 TCL: Center of mass = 37.1072283954 -0.740159101826 -3.42089359748 TCL: atom 1: phi = 0.508424497342 TCL: Center of mass = 37.1105141863 -0.740356182485 -3.42102431385 TCL: atom 1: phi = 0.508636661068 TCL: Center of mass = 37.1137946912 -0.740553574368 -3.42116491698 TCL: atom 1: phi = 0.508419241568 TCL: Center of mass = 37.1170761971 -0.740751598394 -3.42130125695 TCL: atom 1: phi = 0.508212208976 TCL: Center of mass = 37.120367588 -0.740954369298 -3.42144999171 TCL: atom 1: phi = 0.507812298195 TCL: Center of mass = 37.1236645879 -0.74116120568 -3.42160294519 TCL: atom 1: phi = 0.507655218675 TCL: Center of mass = 37.1269599253 -0.741367258584 -3.42176335558 TCL: atom 1: phi = 0.507396506804 TCL: Center of mass = 37.130252677 -0.741576114092 -3.42192438147 TCL: atom 1: phi = 0.50756136623 TCL: Center of mass = 37.1335484841 -0.741794713782 -3.42207490012 TCL: atom 1: phi = 0.507665969591 TCL: Center of mass = 37.1368340723 -0.742017739413 -3.42222382975 TCL: atom 1: phi = 0.50812950141 TCL: Center of mass = 37.1401277285 -0.742248225004 -3.4223796097 TCL: atom 1: phi = 0.508414832007 TCL: Center of mass = 37.1434278369 -0.742467747092 -3.42252605992 TCL: atom 1: phi = 0.508942471384 TCL: Center of mass = 37.1467243231 -0.742693305834 -3.42266756963 TCL: atom 1: phi = 0.509273025161 TCL: Center of mass = 37.1500201086 -0.742926590728 -3.422800249 TCL: atom 1: phi = 0.509806930722 TCL: Center of mass = 37.1533274128 -0.743162122372 -3.4229276997 TCL: atom 1: phi = 0.510106620653 TCL: Center of mass = 37.1566432236 -0.743402105673 -3.42305923648 TCL: atom 1: phi = 0.510671631554 TCL: Center of mass = 37.1599640231 -0.743639926069 -3.42319407605 TCL: atom 1: phi = 0.511093135465 TCL: Center of mass = 37.163280348 -0.743878736595 -3.42333677736 TCL: atom 1: phi = 0.5117996372 TCL: Center of mass = 37.1665894607 -0.744120294679 -3.42348435046 TCL: atom 1: phi = 0.512287607024 TCL: Center of mass = 37.1698967738 -0.744364098464 -3.42362446729 TCL: atom 1: phi = 0.512962891702 TCL: Center of mass = 37.1732004268 -0.744606744175 -3.42377555378 TCL: atom 1: phi = 0.513247548063 TCL: Center of mass = 37.1764936806 -0.744845413786 -3.42392281942 TCL: atom 1: phi = 0.513535539577 TCL: Center of mass = 37.179782777 -0.74508604528 -3.42407689428 TCL: atom 1: phi = 0.513301951232 TCL: Center of mass = 37.1830683126 -0.745314655604 -3.42423476276 TCL: atom 1: phi = 0.513092605781 TCL: Center of mass = 37.1863572803 -0.745548150842 -3.42440090979 TCL: atom 1: phi = 0.512512287188 TCL: Center of mass = 37.1896385695 -0.745794843344 -3.42456585543 TCL: atom 1: phi = 0.512133615387 TCL: Center of mass = 37.1929169484 -0.746050905905 -3.42472392666 TCL: atom 1: phi = 0.511587335422 TCL: Center of mass = 37.1962044927 -0.746303455345 -3.42488349366 TCL: atom 1: phi = 0.511388152023 TCL: Center of mass = 37.1994943509 -0.746537298772 -3.42504552524 TCL: atom 1: phi = 0.511112531975 TCL: Center of mass = 37.2028046585 -0.746750592509 -3.42521079008 TCL: atom 1: phi = 0.51108667949 TCL: Center of mass = 37.2061246063 -0.746960298753 -3.4253698399 TCL: atom 1: phi = 0.510814116864 TCL: Center of mass = 37.2094471627 -0.747169116314 -3.425538636 TCL: atom 1: phi = 0.510680434982 TCL: Center of mass = 37.2127713161 -0.747379739947 -3.4257134584 TCL: atom 1: phi = 0.510201906358 TCL: Center of mass = 37.2161043292 -0.747581709029 -3.42589984182 TCL: atom 1: phi = 0.509843356917 TCL: Center of mass = 37.2194360159 -0.74778568387 -3.42608601928 TCL: atom 1: phi = 0.509128021957 TCL: Center of mass = 37.2227636859 -0.747979211875 -3.42627284603 TCL: atom 1: phi = 0.508559742036 TCL: Center of mass = 37.2261046036 -0.748181039805 -3.42646259705 TCL: atom 1: phi = 0.507722061674 TCL: Center of mass = 37.2294178415 -0.748373695825 -3.42665287968 TCL: atom 1: phi = 0.507024692312 TCL: Center of mass = 37.2327277534 -0.748564106674 -3.42684220949 TCL: atom 1: phi = 0.506163799168 TCL: Center of mass = 37.2360409347 -0.748757618873 -3.42703464335 TCL: atom 1: phi = 0.505467787551 TCL: Center of mass = 37.2393510612 -0.748945798866 -3.42721988612 TCL: atom 1: phi = 0.504491397781 TCL: Center of mass = 37.2426650653 -0.749134285315 -3.42741107792 TCL: atom 1: phi = 0.503552211055 TCL: Center of mass = 37.2459825116 -0.749314049846 -3.427610018 TCL: atom 1: phi = 0.502338391508 TCL: Center of mass = 37.2493033454 -0.749500086411 -3.42780456986 TCL: atom 1: phi = 0.501149050563 TCL: Center of mass = 37.2526314199 -0.749685877641 -3.42799764942 TCL: atom 1: phi = 0.499732936476 TCL: Center of mass = 37.2559699427 -0.749877976614 -3.42820088482 TCL: atom 1: phi = 0.498504894392 TCL: Center of mass = 37.2593085852 -0.750073387617 -3.42840611987 TCL: atom 1: phi = 0.497269411048 TCL: Center of mass = 37.2626466627 -0.750264530267 -3.42861176368 TCL: atom 1: phi = 0.496380871992 TCL: Center of mass = 37.2659847337 -0.750468067907 -3.42882456691 TCL: atom 1: phi = 0.495589410991 TCL: Center of mass = 37.2693023083 -0.750672568281 -3.42902726106 TCL: atom 1: phi = 0.495208527129 TCL: Center of mass = 37.2726168951 -0.750890521891 -3.42923264255 TCL: atom 1: phi = 0.495019179765 TCL: Center of mass = 37.2759231357 -0.751109868355 -3.42942931785 TCL: atom 1: phi = 0.495206980171 TCL: Center of mass = 37.2792188271 -0.751340397233 -3.42963051058 TCL: atom 1: phi = 0.495347714005 TCL: Center of mass = 37.2825074874 -0.751572520989 -3.42984207554 TCL: atom 1: phi = 0.495707039078 TCL: Center of mass = 37.2857761329 -0.751795047041 -3.43005996466 TCL: atom 1: phi = 0.496011612148 TCL: Center of mass = 37.2890441839 -0.752023888329 -3.43029096812 TCL: atom 1: phi = 0.496509571545 TCL: Center of mass = 37.2922966513 -0.752257771994 -3.43052726009 TCL: atom 1: phi = 0.496974751066 TCL: Center of mass = 37.2955580905 -0.752493954477 -3.43075942822 TCL: atom 1: phi = 0.497699472964 TCL: Center of mass = 37.2988070258 -0.752725570197 -3.43098982466 TCL: atom 1: phi = 0.498376067922 TCL: Center of mass = 37.3020583124 -0.752963781337 -3.43121323173 TCL: atom 1: phi = 0.49921183154 TCL: Center of mass = 37.3053144457 -0.753207153296 -3.43143220407 TCL: atom 1: phi = 0.49990186653 TCL: Center of mass = 37.308563917 -0.753444183139 -3.43164652441 TCL: atom 1: phi = 0.500659399022 TCL: Center of mass = 37.3118019836 -0.753669961469 -3.43186748117 TCL: atom 1: phi = 0.501080684965 TCL: Center of mass = 37.3150456659 -0.753901867856 -3.43209904374 TCL: atom 1: phi = 0.50149690766 TCL: Center of mass = 37.3182981782 -0.754136770673 -3.43234613752 TCL: atom 1: phi = 0.501580348167 TCL: Center of mass = 37.3215481838 -0.754370563946 -3.43261019095 TCL: atom 1: phi = 0.501721157896 TCL: Center of mass = 37.3247977609 -0.754591057956 -3.43287533703 TCL: atom 1: phi = 0.501660471671 TCL: Center of mass = 37.3280536483 -0.754815310987 -3.43313452597 TCL: atom 1: phi = 0.501780003569 TCL: Center of mass = 37.3313134612 -0.75503559687 -3.43337990154 TCL: atom 1: phi = 0.501825437626 TCL: Center of mass = 37.3345765551 -0.755259846817 -3.43363247882 TCL: atom 1: phi = 0.502200072537 TCL: Center of mass = 37.3378415045 -0.755483059509 -3.43389028234 TCL: atom 1: phi = 0.502551855261 TCL: Center of mass = 37.3411097205 -0.755716316262 -3.43415084521 TCL: atom 1: phi = 0.50323962944 TCL: Center of mass = 37.344371711 -0.755948684743 -3.43440231477 TCL: atom 1: phi = 0.503807312709 TCL: Center of mass = 37.3476264135 -0.756179472463 -3.43465483797 TCL: atom 1: phi = 0.50459062108 TCL: Center of mass = 37.3508866684 -0.756411417438 -3.43491031828 TCL: atom 1: phi = 0.505110411421 TCL: Center of mass = 37.3541368506 -0.756650543722 -3.43516092333 TCL: atom 1: phi = 0.50587341974 TCL: Center of mass = 37.3573970289 -0.756888511183 -3.43539514738 TCL: atom 1: phi = 0.506418556568 TCL: Center of mass = 37.360673477 -0.757122302261 -3.43563960487 TCL: atom 1: phi = 0.507199171441 TCL: Center of mass = 37.3639496774 -0.757343481388 -3.43589809573 TCL: atom 1: phi = 0.507797410154 TCL: Center of mass = 37.3672240239 -0.757562102069 -3.43615267931 TCL: atom 1: phi = 0.508785089791 TCL: Center of mass = 37.3705066569 -0.757776838841 -3.43640626341 TCL: atom 1: phi = 0.509539041619 TCL: Center of mass = 37.3737849656 -0.758015370142 -3.43665866552 TCL: atom 1: phi = 0.510512971086 TCL: Center of mass = 37.3770694749 -0.758250112595 -3.4369070965 TCL: atom 1: phi = 0.51106844544 TCL: Center of mass = 37.3803542025 -0.758480551852 -3.43715690196 TCL: atom 1: phi = 0.511745560659 TCL: Center of mass = 37.3836316874 -0.758712855225 -3.43740720436 TCL: atom 1: phi = 0.511940774454 TCL: Center of mass = 37.3869059692 -0.758944010811 -3.43766505869 TCL: atom 1: phi = 0.512199264482 TCL: Center of mass = 37.3901736376 -0.759170916758 -3.43791551103 TCL: atom 1: phi = 0.512012245957 TCL: Center of mass = 37.3934418343 -0.759387054629 -3.43816029268 TCL: atom 1: phi = 0.512018654854 TCL: Center of mass = 37.3967172528 -0.759612270187 -3.43840556022 TCL: atom 1: phi = 0.511723541771 TCL: Center of mass = 37.399988533 -0.759838586996 -3.43864760989 TCL: atom 1: phi = 0.511712750045 TIMING: 13000 CPU: 2228.5, 0.172364/step Wall: 2724.15, 0.211071/step, 0.410415 hours remaining, 22051 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 13000 384.7798 709.7265 402.4377 53.9794 -2783.5059 -219.0461 0.0000 0.0000 1191.8507 -259.7778 324.8127 -251.9347 -249.7347 321.1748 731.6841 604.0408 64000.0000 812.8881 814.3801 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13000 WRITING COORDINATES TO DCD FILE AT STEP 13000 WRITING COORDINATES TO RESTART FILE AT STEP 13000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 37.4032717136 -0.760058055632 -3.43888883503 TCL: atom 1: phi = 0.511410866492 TCL: Center of mass = 37.4065463732 -0.760270353446 -3.43914135226 TCL: atom 1: phi = 0.511390934428 TCL: Center of mass = 37.409814275 -0.760488342251 -3.43939326218 TCL: atom 1: phi = 0.510997405573 TCL: Center of mass = 37.4130780254 -0.760712563724 -3.43964984024 TCL: atom 1: phi = 0.510839659974 TCL: Center of mass = 37.4163400326 -0.760932859477 -3.43990586067 TCL: atom 1: phi = 0.51020530366 TCL: Center of mass = 37.4196026611 -0.761147770885 -3.4401679634 TCL: atom 1: phi = 0.50978099492 TCL: Center of mass = 37.4228584143 -0.761354841906 -3.44043449979 TCL: atom 1: phi = 0.508992965843 TCL: Center of mass = 37.4261091608 -0.76155746113 -3.4406990029 TCL: atom 1: phi = 0.508475443239 TCL: Center of mass = 37.4293660367 -0.761759655794 -3.44096558856 TCL: atom 1: phi = 0.507663988589 TCL: Center of mass = 37.4326205481 -0.761961907315 -3.44122992236 TCL: atom 1: phi = 0.507219081659 TCL: Center of mass = 37.4358841006 -0.76216104465 -3.44149945506 TCL: atom 1: phi = 0.506555501185 TCL: Center of mass = 37.4391631733 -0.762342127733 -3.44176751519 TCL: atom 1: phi = 0.506245454624 TCL: Center of mass = 37.4424327956 -0.762513003301 -3.44204444411 TCL: atom 1: phi = 0.505676295118 TCL: Center of mass = 37.445705991 -0.762686518489 -3.44231977845 TCL: atom 1: phi = 0.505348946125 TCL: Center of mass = 37.4489780211 -0.762858911017 -3.44258709446 TCL: atom 1: phi = 0.504660360601 TCL: Center of mass = 37.4522543607 -0.763037971826 -3.44285403228 TCL: atom 1: phi = 0.504081036056 TCL: Center of mass = 37.4555297923 -0.763217224311 -3.44311289206 TCL: atom 1: phi = 0.503106259715 TCL: Center of mass = 37.4588107054 -0.763405380574 -3.4433673556 TCL: atom 1: phi = 0.502385584491 TCL: Center of mass = 37.4620914806 -0.763593306574 -3.44360587399 TCL: atom 1: phi = 0.501436240797 TCL: Center of mass = 37.4653726379 -0.763779823866 -3.44383871048 TCL: atom 1: phi = 0.500874479732 TCL: Center of mass = 37.4686586021 -0.763969527805 -3.44406136415 TCL: atom 1: phi = 0.500177892098 TCL: Center of mass = 37.471950576 -0.764164667611 -3.44429221038 TCL: atom 1: phi = 0.499842210242 TCL: Center of mass = 37.4752447551 -0.764357545268 -3.4445240387 TCL: atom 1: phi = 0.499416056523 TCL: Center of mass = 37.4785453653 -0.764545554125 -3.44475097496 TCL: atom 1: phi = 0.499351796102 TCL: Center of mass = 37.4818429082 -0.764727582228 -3.44495932639 TCL: atom 1: phi = 0.499073569487 TCL: Center of mass = 37.4851325282 -0.764907252607 -3.44516165226 TCL: atom 1: phi = 0.49901658499 TCL: Center of mass = 37.4884257407 -0.765101329745 -3.44536619543 TCL: atom 1: phi = 0.498702233452 TCL: Center of mass = 37.4917123131 -0.765303016505 -3.44557356079 TCL: atom 1: phi = 0.498701556183 TCL: Center of mass = 37.4950053402 -0.765516220455 -3.44578953424 TCL: atom 1: phi = 0.498538780973 TCL: Center of mass = 37.4982879307 -0.765732780227 -3.44600228415 TCL: atom 1: phi = 0.498755588677 TCL: Center of mass = 37.5015819077 -0.765957146455 -3.4462082242 TCL: atom 1: phi = 0.498887171667 TCL: Center of mass = 37.5048842416 -0.766165634579 -3.44640226704 TCL: atom 1: phi = 0.499372683722 TCL: Center of mass = 37.5081727129 -0.766365031045 -3.44659138847 TCL: atom 1: phi = 0.499607389194 TCL: Center of mass = 37.5114649569 -0.766561318841 -3.44678722881 TCL: atom 1: phi = 0.500032376322 TCL: Center of mass = 37.5147558711 -0.766743963337 -3.44698567298 TCL: atom 1: phi = 0.50003109051 TCL: Center of mass = 37.5180531637 -0.766922459577 -3.44718121623 TCL: atom 1: phi = 0.500055854159 TCL: Center of mass = 37.5213590977 -0.767087925972 -3.44736409795 TCL: atom 1: phi = 0.499631630227 TCL: Center of mass = 37.5246516518 -0.767261285605 -3.44754047623 TCL: atom 1: phi = 0.499264295333 TCL: Center of mass = 37.5279369146 -0.767431540721 -3.44771885789 TCL: atom 1: phi = 0.498506813253 TCL: Center of mass = 37.5312181664 -0.767604263084 -3.44788404775 TCL: atom 1: phi = 0.49793207187 TCL: Center of mass = 37.5344978549 -0.767780587752 -3.44806497519 TCL: atom 1: phi = 0.497131852648 TCL: Center of mass = 37.5377717677 -0.767962156811 -3.4482479463 TCL: atom 1: phi = 0.49661084798 TCL: Center of mass = 37.5410577088 -0.768148292853 -3.44842282184 TCL: atom 1: phi = 0.495876400854 TCL: Center of mass = 37.5443449199 -0.76831924896 -3.44858856718 TCL: atom 1: phi = 0.495342327492 TCL: Center of mass = 37.5476302211 -0.768496220192 -3.44874973778 TCL: atom 1: phi = 0.494660548806 TCL: Center of mass = 37.5509163549 -0.768676270256 -3.44890793763 TCL: atom 1: phi = 0.494136259549 TCL: Center of mass = 37.554208691 -0.768861070657 -3.44905376499 TCL: atom 1: phi = 0.49344507663 TCL: Center of mass = 37.5574987902 -0.769039553034 -3.44919264849 TCL: atom 1: phi = 0.492999506966 TCL: Center of mass = 37.5607842721 -0.769201591252 -3.44933180888 TCL: atom 1: phi = 0.492408923381 TCL: Center of mass = 37.5640692034 -0.769371609669 -3.44947341655 TCL: atom 1: phi = 0.492094067901 TCL: Center of mass = 37.5673519653 -0.769535425938 -3.44960589117 TCL: atom 1: phi = 0.491741450658 TCL: Center of mass = 37.5706348115 -0.769685556619 -3.44974227157 TCL: atom 1: phi = 0.491735066384 TCL: Center of mass = 37.5739230172 -0.769840037447 -3.44987355574 TCL: atom 1: phi = 0.491705795476 TCL: Center of mass = 37.5772116824 -0.76999753885 -3.44999095093 TCL: atom 1: phi = 0.491944602666 TCL: Center of mass = 37.5805077391 -0.770153825648 -3.45010264126 TCL: atom 1: phi = 0.492140955066 TCL: Center of mass = 37.5837887097 -0.770289075413 -3.4502071837 TCL: atom 1: phi = 0.492564978328 TCL: Center of mass = 37.5870618998 -0.7704179353 -3.45032209341 TCL: atom 1: phi = 0.492833835045 TCL: Center of mass = 37.5903334882 -0.770540889286 -3.45042839895 TCL: atom 1: phi = 0.493329681544 TCL: Center of mass = 37.5936039192 -0.77064910446 -3.45053831717 TCL: atom 1: phi = 0.493673420453 TCL: Center of mass = 37.5968700511 -0.770746078883 -3.45066548356 TCL: atom 1: phi = 0.494276344381 TCL: Center of mass = 37.6001356451 -0.77083560823 -3.45078834136 TCL: atom 1: phi = 0.494674427642 TCL: Center of mass = 37.6034167933 -0.770929352333 -3.45090884857 TCL: atom 1: phi = 0.495353688496 TCL: Center of mass = 37.6066982446 -0.771032791173 -3.45102429801 TCL: atom 1: phi = 0.495899155516 TCL: Center of mass = 37.6099847683 -0.771130545746 -3.45113682807 TCL: atom 1: phi = 0.496668735191 TCL: Center of mass = 37.6132674261 -0.771243495813 -3.45125051779 TCL: atom 1: phi = 0.49720174796 TCL: Center of mass = 37.6165339617 -0.771357099253 -3.45135854022 TCL: atom 1: phi = 0.497922603482 TCL: Center of mass = 37.6198067082 -0.771468238171 -3.45147243471 TCL: atom 1: phi = 0.49831068517 TCL: Center of mass = 37.6230800185 -0.77158199913 -3.45157309728 TCL: atom 1: phi = 0.498784622792 TCL: Center of mass = 37.6263639472 -0.771696812445 -3.45167605409 TCL: atom 1: phi = 0.498882236914 TCL: Center of mass = 37.6296388211 -0.77179902641 -3.45178147794 TCL: atom 1: phi = 0.499117251099 TCL: Center of mass = 37.6329062133 -0.771885412119 -3.45190298843 TCL: atom 1: phi = 0.499093778124 TCL: Center of mass = 37.6361799437 -0.771974446184 -3.45201695638 TCL: atom 1: phi = 0.499313608517 TCL: Center of mass = 37.6394506298 -0.772069464205 -3.45212801887 TCL: atom 1: phi = 0.499280045695 TCL: Center of mass = 37.6427225742 -0.772177240419 -3.45224989564 TCL: atom 1: phi = 0.499452892892 TCL: Center of mass = 37.6459872027 -0.772287434689 -3.45236926072 TCL: atom 1: phi = 0.49932788736 TCL: Center of mass = 37.6492524096 -0.772374105008 -3.45249317851 TCL: atom 1: phi = 0.499313788961 TCL: Center of mass = 37.6525195788 -0.77246872548 -3.45261063429 TCL: atom 1: phi = 0.498880577682 TCL: Center of mass = 37.6557903887 -0.772569567483 -3.45273642956 TCL: atom 1: phi = 0.498506970196 TCL: Center of mass = 37.6590776298 -0.772669148933 -3.45286551336 TCL: atom 1: phi = 0.497722007669 TCL: Center of mass = 37.6623790381 -0.77277223883 -3.45298093199 TCL: atom 1: phi = 0.496990787542 TCL: Center of mass = 37.6656722613 -0.772871955586 -3.45309122392 TCL: atom 1: phi = 0.495909978367 TCL: Center of mass = 37.6689579006 -0.772970910158 -3.45319558408 TCL: atom 1: phi = 0.494950054966 TCL: Center of mass = 37.6722480075 -0.773060346874 -3.45329752821 TCL: atom 1: phi = 0.49380258268 TCL: Center of mass = 37.6755343352 -0.773153676232 -3.45340954875 TCL: atom 1: phi = 0.492859614354 TCL: Center of mass = 37.6788223106 -0.773242770421 -3.45351806298 TCL: atom 1: phi = 0.491787747219 TCL: Center of mass = 37.6821236629 -0.77333131758 -3.45362591998 TCL: atom 1: phi = 0.491010323634 TCL: Center of mass = 37.685421587 -0.773407861849 -3.4537248825 TCL: atom 1: phi = 0.490104250163 TCL: Center of mass = 37.6887265754 -0.773481784439 -3.45382945792 TCL: atom 1: phi = 0.489462932075 TCL: Center of mass = 37.6920239682 -0.77355504497 -3.45394087268 TCL: atom 1: phi = 0.488640969623 TCL: Center of mass = 37.6953264001 -0.773627867346 -3.45405438682 TCL: atom 1: phi = 0.488036230071 TCL: Center of mass = 37.6986268998 -0.773705699324 -3.45417709467 TCL: atom 1: phi = 0.487333942854 TCL: Center of mass = 37.7019376046 -0.773781375944 -3.45428935224 TCL: atom 1: phi = 0.486880196466 TCL: Center of mass = 37.7052479644 -0.773844725381 -3.45440582695 TCL: atom 1: phi = 0.486380945287 TCL: Center of mass = 37.7085672892 -0.773904629604 -3.4545224288 TCL: atom 1: phi = 0.486204370906 TCL: Center of mass = 37.7118813728 -0.773953221178 -3.45463967319 TCL: atom 1: phi = 0.486055317064 TCL: Center of mass = 37.7152004643 -0.774003773256 -3.4547566685 TCL: atom 1: phi = 0.48623377648 TCL: Center of mass = 37.7185309339 -0.774054859756 -3.45486513276 TCL: atom 1: phi = 0.48639654101 TCL: Center of mass = 37.7218725269 -0.774117565853 -3.45496928938 TCL: atom 1: phi = 0.486747697506 TCL: Center of mass = 37.7252150429 -0.774172352562 -3.45506372949 TCL: atom 1: phi = 0.486928663806 TCL: Center of mass = 37.7285625282 -0.774219281009 -3.4551502298 TCL: atom 1: phi = 0.487182988023 TIMING: 13100 CPU: 2245.91, 0.174134/step Wall: 2745.26, 0.211039/step, 0.404491 hours remaining, 22051 kB of memory in use. ENERGY: 13100 382.4331 744.7211 408.4688 43.0700 -2786.7893 -217.1263 0.0000 0.0000 1168.9613 -256.2613 318.5747 -247.5975 -248.6572 321.6029 1183.3593 879.6447 64000.0000 633.3156 632.3978 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13100 WRITING COORDINATES TO DCD FILE AT STEP 13100 WRITING COORDINATES TO RESTART FILE AT STEP 13100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 37.7319073751 -0.774262705808 -3.45524493163 TCL: atom 1: phi = 0.487229699038 TCL: Center of mass = 37.7352567402 -0.774313056446 -3.45535129415 TCL: atom 1: phi = 0.487356639541 TCL: Center of mass = 37.7386019331 -0.774353425229 -3.45545493496 TCL: atom 1: phi = 0.487334911627 TCL: Center of mass = 37.7419460981 -0.774398236348 -3.45555400988 TCL: atom 1: phi = 0.487476867402 TCL: Center of mass = 37.7452999548 -0.774441107253 -3.45565603553 TCL: atom 1: phi = 0.487585773877 TCL: Center of mass = 37.7486584509 -0.774478555756 -3.45577296952 TCL: atom 1: phi = 0.48789771293 TCL: Center of mass = 37.7520062089 -0.774513453634 -3.45589923632 TCL: atom 1: phi = 0.48813677999 TCL: Center of mass = 37.7553501398 -0.774546012702 -3.45601498224 TCL: atom 1: phi = 0.488607289041 TCL: Center of mass = 37.7587110218 -0.774574650589 -3.45613186501 TCL: atom 1: phi = 0.48893670516 TCL: Center of mass = 37.7620746015 -0.774605933936 -3.45625508605 TCL: atom 1: phi = 0.489443302469 TCL: Center of mass = 37.7654421179 -0.774638739263 -3.45638620378 TCL: atom 1: phi = 0.489752635593 TCL: Center of mass = 37.768818662 -0.774667747064 -3.45651675668 TCL: atom 1: phi = 0.490240434339 TCL: Center of mass = 37.7721880919 -0.774690272154 -3.4566457229 TCL: atom 1: phi = 0.49069927106 TCL: Center of mass = 37.7755603822 -0.77471756477 -3.45677749707 TCL: atom 1: phi = 0.491410423539 TCL: Center of mass = 37.7789224264 -0.774741835988 -3.45690585155 TCL: atom 1: phi = 0.492108596936 TCL: Center of mass = 37.7822848174 -0.774765598797 -3.45703422766 TCL: atom 1: phi = 0.49310666015 TCL: Center of mass = 37.7856440857 -0.774782449651 -3.45716660314 TCL: atom 1: phi = 0.494052173402 TCL: Center of mass = 37.7889932997 -0.774802427644 -3.4573041937 TCL: atom 1: phi = 0.495223378869 TCL: Center of mass = 37.7923411124 -0.774825585103 -3.45744517708 TCL: atom 1: phi = 0.496192067158 TCL: Center of mass = 37.795681616 -0.774843206226 -3.45760534916 TCL: atom 1: phi = 0.497197063599 TCL: Center of mass = 37.7990254483 -0.774860549656 -3.45777223893 TCL: atom 1: phi = 0.497846813279 TCL: Center of mass = 37.8023708454 -0.774886576042 -3.45793840448 TCL: atom 1: phi = 0.498569255697 TCL: Center of mass = 37.8057189789 -0.774901407031 -3.45809462415 TCL: atom 1: phi = 0.499035220061 TCL: Center of mass = 37.8090702347 -0.774914442713 -3.458247031 TCL: atom 1: phi = 0.499634441363 TCL: Center of mass = 37.8124214071 -0.774931838331 -3.45839595401 TCL: atom 1: phi = 0.500076518242 TCL: Center of mass = 37.8157744119 -0.774956762598 -3.45855418855 TCL: atom 1: phi = 0.500837882833 TCL: Center of mass = 37.8191261673 -0.774975787731 -3.45870266251 TCL: atom 1: phi = 0.501452466976 TCL: Center of mass = 37.822472674 -0.774997712121 -3.45885433345 TCL: atom 1: phi = 0.502390646737 TCL: Center of mass = 37.8258246835 -0.775023331121 -3.45900336638 TCL: atom 1: phi = 0.503019468033 TCL: Center of mass = 37.8291868581 -0.775055681284 -3.45914299352 TCL: atom 1: phi = 0.503837987056 TCL: Center of mass = 37.8325571173 -0.775081142072 -3.45928457243 TCL: atom 1: phi = 0.50433370131 TCL: Center of mass = 37.8359287579 -0.775100479985 -3.45942975113 TCL: atom 1: phi = 0.50506765619 TCL: Center of mass = 37.839292448 -0.775119513733 -3.45956785819 TCL: atom 1: phi = 0.505485609523 TCL: Center of mass = 37.8426650621 -0.775127497005 -3.45970380499 TCL: atom 1: phi = 0.506153040681 TCL: Center of mass = 37.8460362138 -0.775142534025 -3.45983944121 TCL: atom 1: phi = 0.506563448411 TCL: Center of mass = 37.8494118632 -0.77516134017 -3.45996115557 TCL: atom 1: phi = 0.507306009515 TCL: Center of mass = 37.8527718943 -0.775186878196 -3.46008600957 TCL: atom 1: phi = 0.50772651426 TCL: Center of mass = 37.8561352896 -0.775209531058 -3.46021372754 TCL: atom 1: phi = 0.508382429386 TCL: Center of mass = 37.8594921399 -0.775245291273 -3.46035148314 TCL: atom 1: phi = 0.508626588036 TCL: Center of mass = 37.8628566916 -0.775275335622 -3.4605004584 TCL: atom 1: phi = 0.508944033361 TCL: Center of mass = 37.8662200726 -0.775303537073 -3.46065115893 TCL: atom 1: phi = 0.508794658406 TCL: Center of mass = 37.8695817945 -0.77533350866 -3.46081176185 TCL: atom 1: phi = 0.508687979513 TCL: Center of mass = 37.8729463353 -0.775368457493 -3.46096649349 TCL: atom 1: phi = 0.508198364795 TCL: Center of mass = 37.8763162936 -0.775405290856 -3.46111886759 TCL: atom 1: phi = 0.507893566966 TCL: Center of mass = 37.8796831811 -0.775438217183 -3.46128229428 TCL: atom 1: phi = 0.50730874279 TCL: Center of mass = 37.8830473987 -0.775458986943 -3.46144985088 TCL: atom 1: phi = 0.507059304823 TCL: Center of mass = 37.8864113739 -0.775460977189 -3.46160511244 TCL: atom 1: phi = 0.506591328083 TCL: Center of mass = 37.8897756645 -0.775454784339 -3.46175697178 TCL: atom 1: phi = 0.506419375027 TCL: Center of mass = 37.8931401241 -0.775442212122 -3.46190972982 TCL: atom 1: phi = 0.505987464359 TCL: Center of mass = 37.8964991934 -0.775425833461 -3.46205959604 TCL: atom 1: phi = 0.505694839419 TCL: Center of mass = 37.8998565571 -0.775415594069 -3.4622188998 TCL: atom 1: phi = 0.505017774146 TCL: Center of mass = 37.9032250197 -0.775416316083 -3.46237598077 TCL: atom 1: phi = 0.504495328707 TCL: Center of mass = 37.9065886582 -0.7754076292 -3.46254535504 TCL: atom 1: phi = 0.5036299722 TCL: Center of mass = 37.9099506458 -0.775411256092 -3.46271889495 TCL: atom 1: phi = 0.503021229877 TCL: Center of mass = 37.9133241202 -0.775407472453 -3.46288665993 TCL: atom 1: phi = 0.502276559868 TCL: Center of mass = 37.9166965945 -0.775411909342 -3.46306807604 TCL: atom 1: phi = 0.501855920425 TCL: Center of mass = 37.9200750143 -0.775419058734 -3.46325434077 TCL: atom 1: phi = 0.501299871867 TCL: Center of mass = 37.9234467136 -0.775430767042 -3.46343057663 TCL: atom 1: phi = 0.500983888645 TCL: Center of mass = 37.9268111524 -0.775446214859 -3.46361440548 TCL: atom 1: phi = 0.500440543657 TCL: Center of mass = 37.930172107 -0.775467096152 -3.46379691964 TCL: atom 1: phi = 0.500120995365 TCL: Center of mass = 37.9335342557 -0.775483646274 -3.46397300733 TCL: atom 1: phi = 0.499524863958 TCL: Center of mass = 37.9368896119 -0.775496213751 -3.46414901796 TCL: atom 1: phi = 0.49904988212 TCL: Center of mass = 37.940243136 -0.775503443107 -3.46432659061 TCL: atom 1: phi = 0.498257547147 TCL: Center of mass = 37.9435947485 -0.77551716956 -3.46450002435 TCL: atom 1: phi = 0.497611170113 TCL: Center of mass = 37.9469503157 -0.775532598765 -3.46469123303 TCL: atom 1: phi = 0.496748170669 TCL: Center of mass = 37.9503030704 -0.775549156862 -3.46487819895 TCL: atom 1: phi = 0.496151593293 TCL: Center of mass = 37.9536502213 -0.7755653867 -3.46506887841 TCL: atom 1: phi = 0.495371976679 TCL: Center of mass = 37.9569941837 -0.775573776494 -3.46525870783 TCL: atom 1: phi = 0.494932628251 TCL: Center of mass = 37.9603396072 -0.775586479486 -3.46544491041 TCL: atom 1: phi = 0.494364662886 TCL: Center of mass = 37.9636831145 -0.77560112911 -3.46561531855 TCL: atom 1: phi = 0.494047693249 TCL: Center of mass = 37.9670296308 -0.775617335104 -3.46578615204 TCL: atom 1: phi = 0.493493141825 TCL: Center of mass = 37.9703645613 -0.775633047282 -3.46595261204 TCL: atom 1: phi = 0.493045381518 TCL: Center of mass = 37.9736899361 -0.775644661634 -3.46612341116 TCL: atom 1: phi = 0.492327897276 TCL: Center of mass = 37.9770180912 -0.775648283325 -3.46630170476 TCL: atom 1: phi = 0.491829329663 TCL: Center of mass = 37.9803380356 -0.775655259723 -3.46648337926 TCL: atom 1: phi = 0.491159249917 TCL: Center of mass = 37.9836522514 -0.775649056117 -3.46667065879 TCL: atom 1: phi = 0.490810561253 TCL: Center of mass = 37.9869657305 -0.775644232262 -3.4668549628 TCL: atom 1: phi = 0.490377568446 TCL: Center of mass = 37.9902829991 -0.775642232641 -3.46704649129 TCL: atom 1: phi = 0.490215143423 TCL: Center of mass = 37.9935997545 -0.775633804357 -3.46724038434 TCL: atom 1: phi = 0.489867935289 TCL: Center of mass = 37.9969201978 -0.775623012756 -3.4674473045 TCL: atom 1: phi = 0.489713867608 TCL: Center of mass = 38.0002460911 -0.775613659597 -3.46764896055 TCL: atom 1: phi = 0.48932470492 TCL: Center of mass = 38.0035764514 -0.775608302883 -3.46784777855 TCL: atom 1: phi = 0.48904978181 TCL: Center of mass = 38.006898024 -0.775610549217 -3.46804430984 TCL: atom 1: phi = 0.48850097642 TCL: Center of mass = 38.0102084391 -0.77560573917 -3.46824427802 TCL: atom 1: phi = 0.488187513629 TCL: Center of mass = 38.0135065448 -0.775591590606 -3.46844062937 TCL: atom 1: phi = 0.487756476629 TCL: Center of mass = 38.0168038291 -0.775575522092 -3.46864121042 TCL: atom 1: phi = 0.487636052522 TCL: Center of mass = 38.0200957891 -0.775565832969 -3.46884570189 TCL: atom 1: phi = 0.487501630672 TCL: Center of mass = 38.0233967011 -0.775555711079 -3.4690418539 TCL: atom 1: phi = 0.487732107775 TCL: Center of mass = 38.0266866829 -0.775549343197 -3.46923330594 TCL: atom 1: phi = 0.487950522308 TCL: Center of mass = 38.0299708235 -0.775547106138 -3.46942594042 TCL: atom 1: phi = 0.488517906679 TCL: Center of mass = 38.0332499297 -0.775548373691 -3.46960812151 TCL: atom 1: phi = 0.488908401917 TCL: Center of mass = 38.0365345211 -0.775540385299 -3.46978642389 TCL: atom 1: phi = 0.489565660089 TCL: Center of mass = 38.0398127955 -0.77553185989 -3.46996579472 TCL: atom 1: phi = 0.490041038779 TCL: Center of mass = 38.0431100114 -0.775537665401 -3.47013865029 TCL: atom 1: phi = 0.490791200295 TCL: Center of mass = 38.0463987714 -0.77554051859 -3.47030847472 TCL: atom 1: phi = 0.491373103866 TCL: Center of mass = 38.0496976536 -0.775528305075 -3.47047895844 TCL: atom 1: phi = 0.492238002937 TCL: Center of mass = 38.0529915316 -0.775524292302 -3.47064640356 TCL: atom 1: phi = 0.492961860865 TCL: Center of mass = 38.0562880277 -0.775528177473 -3.47079972875 TCL: atom 1: phi = 0.493980880492 TCL: Center of mass = 38.0595884113 -0.775544755232 -3.47095453393 TCL: atom 1: phi = 0.49474180399 TCL: Center of mass = 38.062884391 -0.775563365912 -3.47111438726 TCL: atom 1: phi = 0.495693923893 TIMING: 13200 CPU: 2263.13, 0.172214/step Wall: 2766.34, 0.210822/step, 0.398219 hours remaining, 22051 kB of memory in use. ENERGY: 13200 406.5101 696.8785 415.6349 46.8015 -2780.5173 -221.6364 0.0000 0.0000 1180.8241 -255.5045 321.8076 -246.6920 -247.7857 322.0645 1037.2316 1111.6644 64000.0000 1054.7876 1050.6145 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13200 WRITING COORDINATES TO DCD FILE AT STEP 13200 WRITING COORDINATES TO RESTART FILE AT STEP 13200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 38.0661745161 -0.775578148421 -3.47127436794 TCL: atom 1: phi = 0.496200051351 TCL: Center of mass = 38.0694553002 -0.775583097154 -3.47142601787 TCL: atom 1: phi = 0.496824766145 TCL: Center of mass = 38.0727454776 -0.775587333777 -3.471593268 TCL: atom 1: phi = 0.497024619699 TCL: Center of mass = 38.0760253073 -0.775582692951 -3.47174781782 TCL: atom 1: phi = 0.497344361804 TCL: Center of mass = 38.0792906142 -0.775589171313 -3.47190750809 TCL: atom 1: phi = 0.497245483875 TCL: Center of mass = 38.0825599863 -0.77559551947 -3.47206057111 TCL: atom 1: phi = 0.497407014802 TCL: Center of mass = 38.085831347 -0.775596027758 -3.47221461602 TCL: atom 1: phi = 0.497257881866 TCL: Center of mass = 38.0891105071 -0.775583978253 -3.47237677583 TCL: atom 1: phi = 0.497433104776 TCL: Center of mass = 38.0923919686 -0.775571170227 -3.47253104787 TCL: atom 1: phi = 0.497297430661 TCL: Center of mass = 38.0956751323 -0.775555497392 -3.47268518172 TCL: atom 1: phi = 0.497422982346 TCL: Center of mass = 38.0989616962 -0.775535185206 -3.47284930864 TCL: atom 1: phi = 0.497124188717 TCL: Center of mass = 38.1022587779 -0.775527009558 -3.47301687576 TCL: atom 1: phi = 0.497124762858 TCL: Center of mass = 38.105550744 -0.775518042048 -3.47318267339 TCL: atom 1: phi = 0.496768381185 TCL: Center of mass = 38.1088516227 -0.775511405688 -3.47334363983 TCL: atom 1: phi = 0.496718025162 TCL: Center of mass = 38.1121504581 -0.775521284269 -3.47350895182 TCL: atom 1: phi = 0.496318943155 TCL: Center of mass = 38.1154436169 -0.775530489584 -3.47367203787 TCL: atom 1: phi = 0.496284607256 TCL: Center of mass = 38.1187353999 -0.775528352949 -3.47383982465 TCL: atom 1: phi = 0.496023718803 TCL: Center of mass = 38.1220364484 -0.775527125599 -3.47401487998 TCL: atom 1: phi = 0.49610044493 TCL: Center of mass = 38.1253512201 -0.775529640306 -3.47419248148 TCL: atom 1: phi = 0.495923042073 TCL: Center of mass = 38.1286668242 -0.775537101472 -3.47437142598 TCL: atom 1: phi = 0.495993927062 TCL: Center of mass = 38.1319894057 -0.775541615949 -3.47455913483 TCL: atom 1: phi = 0.495640210701 TCL: Center of mass = 38.1353095163 -0.77554365717 -3.47474159704 TCL: atom 1: phi = 0.495457066233 TCL: Center of mass = 38.1386240805 -0.775536263994 -3.47492474719 TCL: atom 1: phi = 0.494887865998 TCL: Center of mass = 38.1419351372 -0.77553092995 -3.47510486771 TCL: atom 1: phi = 0.494547062315 TCL: Center of mass = 38.1452604402 -0.775533438272 -3.47530207251 TCL: atom 1: phi = 0.493891104217 TCL: Center of mass = 38.1485927621 -0.775526983758 -3.47550598722 TCL: atom 1: phi = 0.493509702054 TCL: Center of mass = 38.1519241801 -0.775511613332 -3.47569602164 TCL: atom 1: phi = 0.492829781813 TCL: Center of mass = 38.1552523975 -0.775494362768 -3.47589640856 TCL: atom 1: phi = 0.492488420973 TCL: Center of mass = 38.158576042 -0.775465117974 -3.47609750653 TCL: atom 1: phi = 0.491875276609 TCL: Center of mass = 38.1618967866 -0.775426223829 -3.47629432862 TCL: atom 1: phi = 0.491563191085 TCL: Center of mass = 38.1652209612 -0.775393303501 -3.47649372554 TCL: atom 1: phi = 0.491031698676 TCL: Center of mass = 38.1685386917 -0.775363405252 -3.476692441 TCL: atom 1: phi = 0.490750487561 TCL: Center of mass = 38.1718537005 -0.775338134973 -3.47687947878 TCL: atom 1: phi = 0.490252063656 TCL: Center of mass = 38.1751627466 -0.775301216688 -3.47706663299 TCL: atom 1: phi = 0.490056804331 TCL: Center of mass = 38.1784657167 -0.775265792814 -3.477253655 TCL: atom 1: phi = 0.489640589929 TCL: Center of mass = 38.1817644133 -0.775237776964 -3.47744762196 TCL: atom 1: phi = 0.48954723916 TCL: Center of mass = 38.1850775601 -0.77521093073 -3.47763564542 TCL: atom 1: phi = 0.489341000142 TCL: Center of mass = 38.1883825277 -0.775169641895 -3.47782668784 TCL: atom 1: phi = 0.48948498048 TCL: Center of mass = 38.1916912471 -0.775127513074 -3.47799606079 TCL: atom 1: phi = 0.489502852485 TCL: Center of mass = 38.1949859832 -0.775077617689 -3.47816773205 TCL: atom 1: phi = 0.489795210153 TCL: Center of mass = 38.1982738482 -0.775035820247 -3.47834413296 TCL: atom 1: phi = 0.489902820316 TCL: Center of mass = 38.2015567636 -0.774981752254 -3.47851806881 TCL: atom 1: phi = 0.49024994768 TCL: Center of mass = 38.2048368898 -0.774920881075 -3.47870543617 TCL: atom 1: phi = 0.490363145411 TCL: Center of mass = 38.2081108044 -0.77486014494 -3.47888838161 TCL: atom 1: phi = 0.490711822617 TCL: Center of mass = 38.2113783079 -0.774805076162 -3.47907178373 TCL: atom 1: phi = 0.490783743174 TCL: Center of mass = 38.2146488791 -0.774757009202 -3.47926155919 TCL: atom 1: phi = 0.491112111028 TCL: Center of mass = 38.2179126987 -0.77470115736 -3.47945330532 TCL: atom 1: phi = 0.491326165056 TCL: Center of mass = 38.2211760586 -0.774663829533 -3.47963705413 TCL: atom 1: phi = 0.491938264664 TCL: Center of mass = 38.2244392078 -0.774633050485 -3.47983317545 TCL: atom 1: phi = 0.49244056644 TCL: Center of mass = 38.2277057684 -0.774605258693 -3.48002313653 TCL: atom 1: phi = 0.493281245405 TCL: Center of mass = 38.2309811024 -0.774577773652 -3.48020498012 TCL: atom 1: phi = 0.493910150259 TCL: Center of mass = 38.2342626237 -0.77455684222 -3.48038943323 TCL: atom 1: phi = 0.494750921588 TCL: Center of mass = 38.2375552688 -0.774545407779 -3.4805799926 TCL: atom 1: phi = 0.495315402573 TCL: Center of mass = 38.2408427052 -0.774536600369 -3.48077717535 TCL: atom 1: phi = 0.496114365684 TCL: Center of mass = 38.244126475 -0.774523384755 -3.48097529228 TCL: atom 1: phi = 0.496603871389 TCL: Center of mass = 38.2474053776 -0.774516203957 -3.4811677246 TCL: atom 1: phi = 0.497329675286 TCL: Center of mass = 38.2506765609 -0.774509869247 -3.48136731468 TCL: atom 1: phi = 0.497838539374 TCL: Center of mass = 38.2539400932 -0.774512718083 -3.48156226458 TCL: atom 1: phi = 0.498622029575 TCL: Center of mass = 38.2572114438 -0.774500900763 -3.48175903964 TCL: atom 1: phi = 0.499133397231 TCL: Center of mass = 38.2604732704 -0.774501654072 -3.48195433687 TCL: atom 1: phi = 0.499891706464 TCL: Center of mass = 38.2637368407 -0.774512678217 -3.4821562375 TCL: atom 1: phi = 0.500282891727 TCL: Center of mass = 38.2670134138 -0.774528322262 -3.48235532622 TCL: atom 1: phi = 0.500843350457 TCL: Center of mass = 38.2703039947 -0.774549375467 -3.48256275931 TCL: atom 1: phi = 0.500990695063 TCL: Center of mass = 38.2735966536 -0.774571912627 -3.48276410039 TCL: atom 1: phi = 0.501254439424 TCL: Center of mass = 38.2768684677 -0.774595764109 -3.48296175095 TCL: atom 1: phi = 0.501071013742 TCL: Center of mass = 38.2801431339 -0.774613057951 -3.48315452892 TCL: atom 1: phi = 0.501115344978 TCL: Center of mass = 38.2834098966 -0.774633344493 -3.48335040054 TCL: atom 1: phi = 0.500771563018 TCL: Center of mass = 38.2866707431 -0.774655754623 -3.48353010229 TCL: atom 1: phi = 0.500638162166 TCL: Center of mass = 38.2899239744 -0.774674036839 -3.48371454399 TCL: atom 1: phi = 0.500151475243 TCL: Center of mass = 38.2931690577 -0.774700398889 -3.48389668874 TCL: atom 1: phi = 0.499895231192 TCL: Center of mass = 38.2964073303 -0.774730169141 -3.48408115946 TCL: atom 1: phi = 0.499267320593 TCL: Center of mass = 38.2996404984 -0.774758810658 -3.48427238202 TCL: atom 1: phi = 0.498832835717 TCL: Center of mass = 38.3028768782 -0.774799808254 -3.48445194464 TCL: atom 1: phi = 0.498063301398 TCL: Center of mass = 38.306105817 -0.774837404737 -3.48462727539 TCL: atom 1: phi = 0.497484988532 TCL: Center of mass = 38.3093198047 -0.774864977915 -3.48480088294 TCL: atom 1: phi = 0.496598505892 TCL: Center of mass = 38.3125270299 -0.774893288445 -3.48497835801 TCL: atom 1: phi = 0.495994636861 TCL: Center of mass = 38.3157395262 -0.774927661629 -3.48516420126 TCL: atom 1: phi = 0.495149399124 TCL: Center of mass = 38.3189497183 -0.774969683981 -3.48534799852 TCL: atom 1: phi = 0.494597738087 TCL: Center of mass = 38.3221597448 -0.775010484881 -3.48554067837 TCL: atom 1: phi = 0.493813700532 TCL: Center of mass = 38.3253647517 -0.775056139888 -3.4857273676 TCL: atom 1: phi = 0.493383095528 TCL: Center of mass = 38.3285561805 -0.775088643103 -3.48592031489 TCL: atom 1: phi = 0.492716059729 TCL: Center of mass = 38.3317474606 -0.775130118922 -3.48612092373 TCL: atom 1: phi = 0.492289987015 TCL: Center of mass = 38.3349409955 -0.775182118248 -3.48631960714 TCL: atom 1: phi = 0.491585532961 TCL: Center of mass = 38.3381425499 -0.775229761668 -3.48651379438 TCL: atom 1: phi = 0.491113600524 TCL: Center of mass = 38.3413404276 -0.775270681026 -3.4867077383 TCL: atom 1: phi = 0.49038588843 TCL: Center of mass = 38.3445393876 -0.775312153404 -3.48690300261 TCL: atom 1: phi = 0.489928211912 TCL: Center of mass = 38.3477451359 -0.775343812939 -3.4870929711 TCL: atom 1: phi = 0.489325249737 TCL: Center of mass = 38.3509389936 -0.77537649966 -3.48728998044 TCL: atom 1: phi = 0.489075610323 TCL: Center of mass = 38.3541352771 -0.775412051694 -3.48750432806 TCL: atom 1: phi = 0.488687675475 TCL: Center of mass = 38.3573225752 -0.775455046699 -3.48772052649 TCL: atom 1: phi = 0.4885875826 TCL: Center of mass = 38.3605018688 -0.775501032142 -3.48794403479 TCL: atom 1: phi = 0.488313137035 TCL: Center of mass = 38.3636757918 -0.775541363845 -3.48815516275 TCL: atom 1: phi = 0.488335565225 TCL: Center of mass = 38.3668419641 -0.775577079272 -3.48836814287 TCL: atom 1: phi = 0.488122973491 TCL: Center of mass = 38.3700055599 -0.775620716464 -3.48857923282 TCL: atom 1: phi = 0.488126026436 TCL: Center of mass = 38.3731661378 -0.775664666041 -3.48879022217 TCL: atom 1: phi = 0.487857912016 TCL: Center of mass = 38.3763188209 -0.775703047805 -3.48900091077 TCL: atom 1: phi = 0.487818681842 TCL: Center of mass = 38.3794683722 -0.775747344627 -3.48920046223 TCL: atom 1: phi = 0.487621269606 TCL: Center of mass = 38.3826092963 -0.775799755273 -3.48941055401 TCL: atom 1: phi = 0.487719741721 TCL: Center of mass = 38.3857464459 -0.775856000685 -3.48961873116 TCL: atom 1: phi = 0.487660550608 TCL: Center of mass = 38.3888833125 -0.77590831746 -3.48982752947 TCL: atom 1: phi = 0.487822262895 TIMING: 13300 CPU: 2280.33, 0.171924/step Wall: 2787.39, 0.210516/step, 0.391794 hours remaining, 22051 kB of memory in use. ENERGY: 13300 390.7430 697.1294 425.6546 51.5776 -2753.6448 -259.4802 0.0000 0.0000 1176.9201 -271.1002 320.7436 -263.5001 -259.8417 317.9464 570.8165 481.2001 64000.0000 719.7485 719.3233 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13300 WRITING COORDINATES TO DCD FILE AT STEP 13300 WRITING COORDINATES TO RESTART FILE AT STEP 13300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 38.3920239344 -0.775948286463 -3.49004208112 TCL: atom 1: phi = 0.487750868824 TCL: Center of mass = 38.3951495051 -0.775985254998 -3.4902560288 TCL: atom 1: phi = 0.487821368787 TCL: Center of mass = 38.3982772875 -0.776029926186 -3.49046821529 TCL: atom 1: phi = 0.487586816825 TCL: Center of mass = 38.401398107 -0.776072035341 -3.49068280976 TCL: atom 1: phi = 0.487508689837 TCL: Center of mass = 38.4045212127 -0.776109281693 -3.49088450701 TCL: atom 1: phi = 0.487105663351 TCL: Center of mass = 38.4076450894 -0.776150589121 -3.49108479462 TCL: atom 1: phi = 0.48691718676 TCL: Center of mass = 38.4107591602 -0.776192072241 -3.49127994189 TCL: atom 1: phi = 0.486573087959 TCL: Center of mass = 38.4138804759 -0.776230453317 -3.49147100256 TCL: atom 1: phi = 0.486580024728 TCL: Center of mass = 38.4169942079 -0.776268349343 -3.49165515243 TCL: atom 1: phi = 0.486446051569 TCL: Center of mass = 38.4201070413 -0.77630511954 -3.49184179246 TCL: atom 1: phi = 0.486604519795 TCL: Center of mass = 38.4232042635 -0.7763395925 -3.49203108976 TCL: atom 1: phi = 0.486570049317 TCL: Center of mass = 38.4263099707 -0.776371552144 -3.4922118198 TCL: atom 1: phi = 0.486710400555 TCL: Center of mass = 38.4294133796 -0.776397026115 -3.49239971071 TCL: atom 1: phi = 0.48657800041 TCL: Center of mass = 38.4325110444 -0.776422645216 -3.49260232502 TCL: atom 1: phi = 0.486619384341 TCL: Center of mass = 38.4356044798 -0.776449710331 -3.49280952589 TCL: atom 1: phi = 0.486352878862 TCL: Center of mass = 38.4386938564 -0.776478208738 -3.49301556065 TCL: atom 1: phi = 0.486368583001 TCL: Center of mass = 38.4417842317 -0.776518324049 -3.49321801549 TCL: atom 1: phi = 0.486174520426 TCL: Center of mass = 38.4448853973 -0.776570117037 -3.49342339358 TCL: atom 1: phi = 0.486374946171 TCL: Center of mass = 38.4479885635 -0.776611566996 -3.49363759311 TCL: atom 1: phi = 0.486444418949 TCL: Center of mass = 38.4510918991 -0.776645795838 -3.49384088528 TCL: atom 1: phi = 0.48681855363 TCL: Center of mass = 38.4541825323 -0.776678919085 -3.49405559172 TCL: atom 1: phi = 0.486999450432 TCL: Center of mass = 38.4572855664 -0.776708820497 -3.49426772659 TCL: atom 1: phi = 0.487390786373 TCL: Center of mass = 38.4603810434 -0.776744770648 -3.49448117062 TCL: atom 1: phi = 0.487493165016 TCL: Center of mass = 38.4634727251 -0.776771698839 -3.49468648922 TCL: atom 1: phi = 0.487776039454 TCL: Center of mass = 38.4665600395 -0.776795790922 -3.4948825649 TCL: atom 1: phi = 0.487680498398 TCL: Center of mass = 38.4696541426 -0.776820150225 -3.49509012458 TCL: atom 1: phi = 0.487873314288 TCL: Center of mass = 38.472732694 -0.776840439137 -3.49528047046 TCL: atom 1: phi = 0.487785298164 TCL: Center of mass = 38.4758079431 -0.776868184086 -3.49546955336 TCL: atom 1: phi = 0.487955022888 TCL: Center of mass = 38.478875823 -0.776886659849 -3.49565729322 TCL: atom 1: phi = 0.487915727431 TCL: Center of mass = 38.4819303691 -0.776914564223 -3.49585681986 TCL: atom 1: phi = 0.488180197481 TCL: Center of mass = 38.4849813064 -0.77693215751 -3.49604743023 TCL: atom 1: phi = 0.488179310863 TCL: Center of mass = 38.4880282785 -0.776946734866 -3.49624139941 TCL: atom 1: phi = 0.488357712899 TCL: Center of mass = 38.4910649745 -0.776975490932 -3.4964257621 TCL: atom 1: phi = 0.488172840269 TCL: Center of mass = 38.4941010844 -0.777004696429 -3.49661113486 TCL: atom 1: phi = 0.488142767123 TCL: Center of mass = 38.4971348504 -0.77703180478 -3.49679657382 TCL: atom 1: phi = 0.487730854794 TCL: Center of mass = 38.5001729715 -0.777068354998 -3.49697789396 TCL: atom 1: phi = 0.487467421 TCL: Center of mass = 38.5032047274 -0.777118314655 -3.49714342505 TCL: atom 1: phi = 0.486864516094 TCL: Center of mass = 38.5062306466 -0.777167000558 -3.49729181155 TCL: atom 1: phi = 0.486467626034 TCL: Center of mass = 38.5092576816 -0.777223172847 -3.49743264897 TCL: atom 1: phi = 0.485829960464 TCL: Center of mass = 38.5122808609 -0.777287840978 -3.49756981311 TCL: atom 1: phi = 0.485429708079 TCL: Center of mass = 38.5153002942 -0.777364643088 -3.49771070613 TCL: atom 1: phi = 0.484827085125 TCL: Center of mass = 38.5183309342 -0.777445635139 -3.49784398317 TCL: atom 1: phi = 0.484443079641 TCL: Center of mass = 38.5213527298 -0.777533815903 -3.49797028158 TCL: atom 1: phi = 0.483785350338 TCL: Center of mass = 38.5243736645 -0.777618461826 -3.49810682527 TCL: atom 1: phi = 0.483304809582 TCL: Center of mass = 38.5273929864 -0.777705648474 -3.49822608453 TCL: atom 1: phi = 0.482637280079 TCL: Center of mass = 38.5304010595 -0.777802193026 -3.49834165476 TCL: atom 1: phi = 0.482198885252 TCL: Center of mass = 38.5334085304 -0.777903753343 -3.49845120148 TCL: atom 1: phi = 0.481678471123 TCL: Center of mass = 38.5364131513 -0.778008142959 -3.49856189201 TCL: atom 1: phi = 0.481403357312 TCL: Center of mass = 38.5394191871 -0.778099668219 -3.49867612756 TCL: atom 1: phi = 0.481055383082 TCL: Center of mass = 38.5424153412 -0.778191748274 -3.49879760354 TCL: atom 1: phi = 0.481020512699 TCL: Center of mass = 38.5454083998 -0.778275876204 -3.49891620897 TCL: atom 1: phi = 0.480983247182 TCL: Center of mass = 38.5483980554 -0.778365324412 -3.49902896526 TCL: atom 1: phi = 0.481246100671 TCL: Center of mass = 38.5513987285 -0.77845099913 -3.49914073916 TCL: atom 1: phi = 0.481374304411 TCL: Center of mass = 38.5543937022 -0.778543971458 -3.49925533364 TCL: atom 1: phi = 0.48170370447 TCL: Center of mass = 38.5573931263 -0.778625750164 -3.49937904085 TCL: atom 1: phi = 0.481814073898 TCL: Center of mass = 38.5603913238 -0.778716650857 -3.49950880854 TCL: atom 1: phi = 0.482078352139 TCL: Center of mass = 38.5633951995 -0.77880861523 -3.49964086678 TCL: atom 1: phi = 0.482173613533 TCL: Center of mass = 38.5664012149 -0.77890135589 -3.49977209795 TCL: atom 1: phi = 0.482492808429 TCL: Center of mass = 38.5694071177 -0.778993622529 -3.49989601599 TCL: atom 1: phi = 0.482650640104 TCL: Center of mass = 38.572427541 -0.779076262974 -3.50002431055 TCL: atom 1: phi = 0.483092794111 TCL: Center of mass = 38.5754504093 -0.779148867915 -3.50015257814 TCL: atom 1: phi = 0.483430889351 TCL: Center of mass = 38.5784705521 -0.779225949252 -3.50027695527 TCL: atom 1: phi = 0.484022956843 TCL: Center of mass = 38.5814978519 -0.779321506038 -3.50040347925 TCL: atom 1: phi = 0.484519909216 TCL: Center of mass = 38.5845228663 -0.779425020173 -3.5005337514 TCL: atom 1: phi = 0.485272589383 TCL: Center of mass = 38.5875521682 -0.779535564314 -3.50065869051 TCL: atom 1: phi = 0.485811034418 TCL: Center of mass = 38.5905905026 -0.779655878872 -3.50078128245 TCL: atom 1: phi = 0.486583184842 TCL: Center of mass = 38.5936310066 -0.779774751916 -3.50091548916 TCL: atom 1: phi = 0.487119206302 TCL: Center of mass = 38.5966686577 -0.779897401841 -3.50103726791 TCL: atom 1: phi = 0.487948041856 TCL: Center of mass = 38.5997053527 -0.780020796818 -3.50116031558 TCL: atom 1: phi = 0.488684015737 TCL: Center of mass = 38.6027341577 -0.780132869796 -3.50128148339 TCL: atom 1: phi = 0.489781184625 TCL: Center of mass = 38.6057655479 -0.780240174681 -3.50141444294 TCL: atom 1: phi = 0.490778361122 TCL: Center of mass = 38.6088012834 -0.780347474074 -3.50154184919 TCL: atom 1: phi = 0.492147039566 TCL: Center of mass = 38.6118410941 -0.780458558452 -3.50167378828 TCL: atom 1: phi = 0.493316858357 TCL: Center of mass = 38.6148879319 -0.780576749038 -3.50180307261 TCL: atom 1: phi = 0.494754921734 TCL: Center of mass = 38.6179448615 -0.780694190864 -3.5019393777 TCL: atom 1: phi = 0.495838808257 TCL: Center of mass = 38.620995083 -0.780814212663 -3.50206347487 TCL: atom 1: phi = 0.497055309766 TCL: Center of mass = 38.6240347411 -0.78094596616 -3.50218190843 TCL: atom 1: phi = 0.497893248819 TCL: Center of mass = 38.6270791484 -0.781075197059 -3.50230436813 TCL: atom 1: phi = 0.498965597967 TCL: Center of mass = 38.6301225914 -0.78119744048 -3.50242500042 TCL: atom 1: phi = 0.49972812934 TCL: Center of mass = 38.6331687629 -0.781314557962 -3.50254233523 TCL: atom 1: phi = 0.500817588928 TCL: Center of mass = 38.6362225441 -0.781431436755 -3.50265749452 TCL: atom 1: phi = 0.501564455782 TCL: Center of mass = 38.6392683765 -0.781543071139 -3.50275904555 TCL: atom 1: phi = 0.502606389824 TCL: Center of mass = 38.6423205042 -0.781658365739 -3.50285338002 TCL: atom 1: phi = 0.503227972706 TCL: Center of mass = 38.6453757906 -0.781772489029 -3.50294560697 TCL: atom 1: phi = 0.503983127197 TCL: Center of mass = 38.6484302495 -0.781902247813 -3.50304004288 TCL: atom 1: phi = 0.504290935643 TCL: Center of mass = 38.6514851382 -0.782026387566 -3.50313238558 TCL: atom 1: phi = 0.504854954452 TCL: Center of mass = 38.6545321085 -0.782147482556 -3.50322119875 TCL: atom 1: phi = 0.505033770156 TCL: Center of mass = 38.6575890323 -0.782258805398 -3.50329687059 TCL: atom 1: phi = 0.505533906865 TCL: Center of mass = 38.6606404557 -0.782369125718 -3.50337352467 TCL: atom 1: phi = 0.505793044412 TCL: Center of mass = 38.6636989747 -0.782474934367 -3.50343843964 TCL: atom 1: phi = 0.506418694037 TCL: Center of mass = 38.6667760896 -0.782567799084 -3.50350077295 TCL: atom 1: phi = 0.506847292975 TCL: Center of mass = 38.6698477129 -0.782654520294 -3.50356982615 TCL: atom 1: phi = 0.50774277281 TCL: Center of mass = 38.6729254078 -0.782749239217 -3.50363850212 TCL: atom 1: phi = 0.508374739768 TCL: Center of mass = 38.6759976023 -0.782836482382 -3.50370209507 TCL: atom 1: phi = 0.509355302376 TCL: Center of mass = 38.6790611306 -0.782924122146 -3.50378230965 TCL: atom 1: phi = 0.509986402665 TCL: Center of mass = 38.6821248225 -0.783014707823 -3.50385917303 TCL: atom 1: phi = 0.510847592976 TCL: Center of mass = 38.6851914427 -0.783109497061 -3.50393908338 TCL: atom 1: phi = 0.511270565234 TCL: Center of mass = 38.6882537032 -0.783196712393 -3.50400263296 TCL: atom 1: phi = 0.511828780809 TCL: Center of mass = 38.6913132458 -0.783280770636 -3.5040591721 TCL: atom 1: phi = 0.512048914478 TCL: Center of mass = 38.694368392 -0.783349591374 -3.50412237778 TCL: atom 1: phi = 0.512606043147 TIMING: 13400 CPU: 2297.52, 0.171894/step Wall: 2808.44, 0.210485/step, 0.385888 hours remaining, 22051 kB of memory in use. ENERGY: 13400 407.3876 677.0364 421.3631 48.6943 -2789.2583 -209.3985 0.0000 0.0000 1166.6809 -277.4946 317.9532 -268.2966 -270.7163 318.7337 1257.2532 859.4315 64000.0000 946.0264 948.3457 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13400 WRITING COORDINATES TO DCD FILE AT STEP 13400 WRITING COORDINATES TO RESTART FILE AT STEP 13400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 38.6974066287 -0.783418610135 -3.50419007166 TCL: atom 1: phi = 0.512840167343 TCL: Center of mass = 38.7004419023 -0.783489954055 -3.50425042517 TCL: atom 1: phi = 0.51345111076 TCL: Center of mass = 38.7034748846 -0.783573546321 -3.50431991004 TCL: atom 1: phi = 0.513658599583 TCL: Center of mass = 38.7064998588 -0.783659847591 -3.5043938492 TCL: atom 1: phi = 0.514104623842 TCL: Center of mass = 38.7095208486 -0.783738458882 -3.50447627816 TCL: atom 1: phi = 0.514112974532 TCL: Center of mass = 38.712541424 -0.783816958822 -3.50456350674 TCL: atom 1: phi = 0.51431292014 TCL: Center of mass = 38.7155678254 -0.783904012459 -3.50464323859 TCL: atom 1: phi = 0.514099048124 TCL: Center of mass = 38.7185952529 -0.78398977841 -3.50472034658 TCL: atom 1: phi = 0.514118989746 TCL: Center of mass = 38.721628546 -0.784073179067 -3.50479941035 TCL: atom 1: phi = 0.51378511828 TCL: Center of mass = 38.7246676811 -0.784158229488 -3.50487603669 TCL: atom 1: phi = 0.513768082868 TCL: Center of mass = 38.7277029989 -0.784246354937 -3.50494802898 TCL: atom 1: phi = 0.513593121251 TCL: Center of mass = 38.7307470099 -0.784329797768 -3.50502248251 TCL: atom 1: phi = 0.513802210269 TCL: Center of mass = 38.733802101 -0.784423695232 -3.50510384075 TCL: atom 1: phi = 0.51382962591 TCL: Center of mass = 38.7368587786 -0.784512428642 -3.50518025461 TCL: atom 1: phi = 0.514109729786 TCL: Center of mass = 38.7399105455 -0.784593023128 -3.50525576269 TCL: atom 1: phi = 0.514127884297 TCL: Center of mass = 38.7429690868 -0.784681863956 -3.50532798461 TCL: atom 1: phi = 0.514297536885 TCL: Center of mass = 38.7460283833 -0.784772715198 -3.50540020649 TCL: atom 1: phi = 0.514137452841 TCL: Center of mass = 38.7490987102 -0.784859666157 -3.50547122442 TCL: atom 1: phi = 0.51413553384 TCL: Center of mass = 38.752168197 -0.784937766537 -3.5055592013 TCL: atom 1: phi = 0.513802316211 TCL: Center of mass = 38.7552252313 -0.785016746832 -3.50565416815 TCL: atom 1: phi = 0.513601543204 TCL: Center of mass = 38.7582750256 -0.785099537738 -3.50575300713 TCL: atom 1: phi = 0.513105505718 TCL: Center of mass = 38.7613180085 -0.785172582211 -3.50584887612 TCL: atom 1: phi = 0.512773711996 TCL: Center of mass = 38.7643578967 -0.785229463222 -3.50593979264 TCL: atom 1: phi = 0.512242844957 TCL: Center of mass = 38.7673996158 -0.785284788178 -3.5060213959 TCL: atom 1: phi = 0.511864845438 TCL: Center of mass = 38.7704267385 -0.785347906094 -3.50610645738 TCL: atom 1: phi = 0.511207354275 TCL: Center of mass = 38.7734541637 -0.78541482594 -3.50618945239 TCL: atom 1: phi = 0.510668462638 TCL: Center of mass = 38.7764734684 -0.785493570007 -3.50626507843 TCL: atom 1: phi = 0.509928206146 TCL: Center of mass = 38.7794871197 -0.785583507388 -3.50634203724 TCL: atom 1: phi = 0.509330854063 TCL: Center of mass = 38.7825048496 -0.785679811391 -3.50643596682 TCL: atom 1: phi = 0.508608348317 TCL: Center of mass = 38.7855216851 -0.785770525458 -3.50653460346 TCL: atom 1: phi = 0.508106816896 TCL: Center of mass = 38.7885400729 -0.785863636878 -3.50662489927 TCL: atom 1: phi = 0.507699270767 TCL: Center of mass = 38.7915632589 -0.785962201752 -3.50670983817 TCL: atom 1: phi = 0.507644667978 TCL: Center of mass = 38.794593498 -0.786059625738 -3.50679186474 TCL: atom 1: phi = 0.507629023131 TCL: Center of mass = 38.7976176359 -0.786153266005 -3.50687362042 TCL: atom 1: phi = 0.507924394618 TCL: Center of mass = 38.800647247 -0.786256761166 -3.50695946469 TCL: atom 1: phi = 0.508174705713 TCL: Center of mass = 38.8036829016 -0.786356826389 -3.50703614768 TCL: atom 1: phi = 0.508630904048 TCL: Center of mass = 38.8067276491 -0.786454923106 -3.5071182837 TCL: atom 1: phi = 0.509000550747 TCL: Center of mass = 38.8097782809 -0.786561459171 -3.50719725428 TCL: atom 1: phi = 0.509499603802 TCL: Center of mass = 38.8128208053 -0.78666239941 -3.5072793434 TCL: atom 1: phi = 0.509858558856 TCL: Center of mass = 38.8158619427 -0.786761232935 -3.5073591785 TCL: atom 1: phi = 0.510349087224 TCL: Center of mass = 38.8189085508 -0.786862950575 -3.50743726777 TCL: atom 1: phi = 0.510794949315 TCL: Center of mass = 38.8219586867 -0.786978972473 -3.50751265473 TCL: atom 1: phi = 0.511470778182 TCL: Center of mass = 38.8250147653 -0.787095616705 -3.50757818315 TCL: atom 1: phi = 0.512093139007 TCL: Center of mass = 38.828072744 -0.787212553864 -3.507641452 TCL: atom 1: phi = 0.512891064303 TCL: Center of mass = 38.8311254605 -0.787316134349 -3.50770119193 TCL: atom 1: phi = 0.513588287185 TCL: Center of mass = 38.8341777803 -0.787403255275 -3.50775498873 TCL: atom 1: phi = 0.514428771835 TCL: Center of mass = 38.8372319581 -0.787490673709 -3.50781080377 TCL: atom 1: phi = 0.51504124172 TCL: Center of mass = 38.8402802906 -0.787589390269 -3.507868853 TCL: atom 1: phi = 0.515664013002 TCL: Center of mass = 38.8433238186 -0.787685744809 -3.50791073716 TCL: atom 1: phi = 0.516069411287 TCL: Center of mass = 38.8463679039 -0.78778691411 -3.50796203493 TCL: atom 1: phi = 0.516588986036 TCL: Center of mass = 38.8494124062 -0.787892763369 -3.50803489175 TCL: atom 1: phi = 0.516963621835 TCL: Center of mass = 38.8524497353 -0.787994704146 -3.50811047336 TCL: atom 1: phi = 0.517489297078 TCL: Center of mass = 38.855490828 -0.788110722718 -3.50817904156 TCL: atom 1: phi = 0.517912918692 TCL: Center of mass = 38.8585358381 -0.788225657041 -3.50823914227 TCL: atom 1: phi = 0.518503588332 TCL: Center of mass = 38.8615852355 -0.788342430717 -3.50830890102 TCL: atom 1: phi = 0.518942495957 TCL: Center of mass = 38.8646417233 -0.788466818926 -3.50838483385 TCL: atom 1: phi = 0.519390993161 TCL: Center of mass = 38.86769002 -0.788584522514 -3.50845645357 TCL: atom 1: phi = 0.519517001982 TCL: Center of mass = 38.8707481636 -0.788707903333 -3.50852115227 TCL: atom 1: phi = 0.519657031733 TCL: Center of mass = 38.8738108167 -0.788837979235 -3.50859158608 TCL: atom 1: phi = 0.519501266138 TCL: Center of mass = 38.8768580225 -0.788978197917 -3.50864870601 TCL: atom 1: phi = 0.519361495815 TCL: Center of mass = 38.8799039775 -0.789117793318 -3.50869894503 TCL: atom 1: phi = 0.518959289045 TCL: Center of mass = 38.8829500063 -0.789253453441 -3.50874399243 TCL: atom 1: phi = 0.518663425588 TCL: Center of mass = 38.885998842 -0.789389151478 -3.50878810083 TCL: atom 1: phi = 0.518191615691 TCL: Center of mass = 38.8890403348 -0.789529614344 -3.5088276595 TCL: atom 1: phi = 0.517906726388 TCL: Center of mass = 38.8920694525 -0.789674265565 -3.50887605073 TCL: atom 1: phi = 0.517438362884 TCL: Center of mass = 38.8950995939 -0.789825752883 -3.50892675737 TCL: atom 1: phi = 0.517089746216 TCL: Center of mass = 38.8981203333 -0.789968649654 -3.50897359853 TCL: atom 1: phi = 0.516453928767 TCL: Center of mass = 38.9011494824 -0.790119559394 -3.50901323102 TCL: atom 1: phi = 0.515815908169 TCL: Center of mass = 38.904163907 -0.790272093181 -3.50904197591 TCL: atom 1: phi = 0.514902374623 TCL: Center of mass = 38.9071821039 -0.79041236135 -3.50907429169 TCL: atom 1: phi = 0.514054273526 TCL: Center of mass = 38.9101999239 -0.790555204728 -3.50911520034 TCL: atom 1: phi = 0.513110963121 TCL: Center of mass = 38.9132250771 -0.790691912039 -3.50914732469 TCL: atom 1: phi = 0.512406045203 TCL: Center of mass = 38.9162513065 -0.790831492547 -3.50917611283 TCL: atom 1: phi = 0.511789027284 TCL: Center of mass = 38.9192754134 -0.790969755946 -3.50921810468 TCL: atom 1: phi = 0.511553728146 TCL: Center of mass = 38.922298957 -0.791089662165 -3.5092581414 TCL: atom 1: phi = 0.511378032879 TCL: Center of mass = 38.9253132385 -0.791200033882 -3.50929687708 TCL: atom 1: phi = 0.511520017027 TCL: Center of mass = 38.9283265613 -0.791298983478 -3.50933382221 TCL: atom 1: phi = 0.511632671255 TCL: Center of mass = 38.9313259356 -0.791389575475 -3.50937107473 TCL: atom 1: phi = 0.51197754271 TCL: Center of mass = 38.9343155363 -0.791479795885 -3.50941256383 TCL: atom 1: phi = 0.512208132045 TCL: Center of mass = 38.9373029078 -0.791581269165 -3.50945565518 TCL: atom 1: phi = 0.512587104703 TCL: Center of mass = 38.9402929326 -0.791684104273 -3.50949797755 TCL: atom 1: phi = 0.512833411122 TCL: Center of mass = 38.9432817549 -0.791780654061 -3.50954532671 TCL: atom 1: phi = 0.513296919023 TCL: Center of mass = 38.9462734375 -0.791867832812 -3.50959387243 TCL: atom 1: phi = 0.51371592194 TCL: Center of mass = 38.9492678049 -0.791960510549 -3.50962816739 TCL: atom 1: phi = 0.514412085554 TCL: Center of mass = 38.9522681408 -0.792058501672 -3.50966343529 TCL: atom 1: phi = 0.515089388889 TCL: Center of mass = 38.955265903 -0.792163158623 -3.50970169556 TCL: atom 1: phi = 0.515955841753 TCL: Center of mass = 38.958267111 -0.792260261701 -3.50974433074 TCL: atom 1: phi = 0.51664095058 TCL: Center of mass = 38.9612727021 -0.79235237603 -3.50979920231 TCL: atom 1: phi = 0.517420693271 TCL: Center of mass = 38.9642646587 -0.792444235665 -3.50985706753 TCL: atom 1: phi = 0.51796029417 TCL: Center of mass = 38.9672561828 -0.792535350704 -3.50990408753 TCL: atom 1: phi = 0.518581753468 TCL: Center of mass = 38.9702399924 -0.79263734498 -3.50994312035 TCL: atom 1: phi = 0.518948176857 TCL: Center of mass = 38.9732200681 -0.792739815725 -3.50998344901 TCL: atom 1: phi = 0.519458241339 TCL: Center of mass = 38.9761930772 -0.79284178107 -3.51003096542 TCL: atom 1: phi = 0.519824434479 TCL: Center of mass = 38.9791538149 -0.792947307922 -3.51006975727 TCL: atom 1: phi = 0.520335159431 TCL: Center of mass = 38.9821143125 -0.793045787068 -3.51010425101 TCL: atom 1: phi = 0.520660751893 TCL: Center of mass = 38.9850759571 -0.793145927234 -3.51012803278 TCL: atom 1: phi = 0.521176901052 TCL: Center of mass = 38.9880422147 -0.793246036416 -3.51013704325 TCL: atom 1: phi = 0.521407011671 TCL: Center of mass = 38.9910184537 -0.793345467539 -3.51014572216 TCL: atom 1: phi = 0.521660089133 TCL: Center of mass = 38.9939928185 -0.793442323071 -3.510149836 TCL: atom 1: phi = 0.521496087776 TCL: Center of mass = 38.9969689175 -0.793552441913 -3.51015463636 TCL: atom 1: phi = 0.521274889703 TIMING: 13500 CPU: 2314.72, 0.172044/step Wall: 2829.51, 0.210689/step, 0.380411 hours remaining, 22051 kB of memory in use. ENERGY: 13500 405.2744 689.8940 429.6111 39.2651 -2814.0650 -210.0620 0.0000 0.0000 1175.3836 -284.6987 320.3249 -275.9451 -276.3488 314.9744 1413.3767 1353.6610 64000.0000 999.1685 1002.0360 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13500 WRITING COORDINATES TO DCD FILE AT STEP 13500 WRITING COORDINATES TO RESTART FILE AT STEP 13500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 38.9999407653 -0.793662496134 -3.51016135869 TCL: atom 1: phi = 0.520641562874 TCL: Center of mass = 39.0029112416 -0.793769444485 -3.51017053848 TCL: atom 1: phi = 0.52004683837 TCL: Center of mass = 39.0058863274 -0.79388712002 -3.51017877896 TCL: atom 1: phi = 0.51914016186 TCL: Center of mass = 39.0088632914 -0.794011550746 -3.51017925499 TCL: atom 1: phi = 0.518356122646 TCL: Center of mass = 39.0118493992 -0.794127044088 -3.51017273219 TCL: atom 1: phi = 0.517431636206 TCL: Center of mass = 39.0148362439 -0.794240346718 -3.5101660795 TCL: atom 1: phi = 0.516666042035 TCL: Center of mass = 39.0178130156 -0.794351483644 -3.51015840612 TCL: atom 1: phi = 0.515720520781 TCL: Center of mass = 39.0207912214 -0.794471317673 -3.51016219304 TCL: atom 1: phi = 0.514922243504 TCL: Center of mass = 39.023769951 -0.794599662243 -3.51015737241 TCL: atom 1: phi = 0.513888041755 TCL: Center of mass = 39.0267537997 -0.794723938761 -3.51015086033 TCL: atom 1: phi = 0.512990818367 TCL: Center of mass = 39.0297305835 -0.794832834384 -3.51014630098 TCL: atom 1: phi = 0.511953652539 TCL: Center of mass = 39.032712742 -0.79495116603 -3.51014988734 TCL: atom 1: phi = 0.511184329597 TCL: Center of mass = 39.0357030099 -0.795068929817 -3.51014656488 TCL: atom 1: phi = 0.510412189463 TCL: Center of mass = 39.0386986823 -0.795186893222 -3.51014067858 TCL: atom 1: phi = 0.510046091381 TCL: Center of mass = 39.041705956 -0.795296948921 -3.51013414091 TCL: atom 1: phi = 0.509831126173 TCL: Center of mass = 39.044713475 -0.795409373193 -3.5101353754 TCL: atom 1: phi = 0.510060533529 TCL: Center of mass = 39.0477090308 -0.795527741622 -3.51013342097 TCL: atom 1: phi = 0.510323303591 TCL: Center of mass = 39.0506997917 -0.795658702676 -3.51011341568 TCL: atom 1: phi = 0.510900160295 TCL: Center of mass = 39.0536876959 -0.795789485663 -3.51009731244 TCL: atom 1: phi = 0.511346002846 TCL: Center of mass = 39.0566697569 -0.795916649358 -3.51007724877 TCL: atom 1: phi = 0.512006220386 TCL: Center of mass = 39.0596521062 -0.796053651477 -3.51006132683 TCL: atom 1: phi = 0.512456051345 TCL: Center of mass = 39.062641924 -0.796197961716 -3.51005270547 TCL: atom 1: phi = 0.513092889858 TCL: Center of mass = 39.0656254797 -0.79633409326 -3.51003831344 TCL: atom 1: phi = 0.513537106463 TCL: Center of mass = 39.0686153256 -0.796459856949 -3.51001464621 TCL: atom 1: phi = 0.514193921137 TCL: Center of mass = 39.0716020536 -0.796576135622 -3.50999475563 TCL: atom 1: phi = 0.514698663057 TCL: Center of mass = 39.0745864466 -0.79669459227 -3.50997521895 TCL: atom 1: phi = 0.515475210281 TCL: Center of mass = 39.0775744217 -0.796818400968 -3.50994641979 TCL: atom 1: phi = 0.516078102233 TCL: Center of mass = 39.0805488704 -0.79693952671 -3.50991259384 TCL: atom 1: phi = 0.516917643715 TCL: Center of mass = 39.0835238665 -0.797051043623 -3.5098749032 TCL: atom 1: phi = 0.517486116726 TCL: Center of mass = 39.0865000583 -0.797169580571 -3.50982738948 TCL: atom 1: phi = 0.518219119145 TCL: Center of mass = 39.08947505 -0.797287277312 -3.50978481577 TCL: atom 1: phi = 0.518624887364 TCL: Center of mass = 39.0924562284 -0.797405992944 -3.50974008982 TCL: atom 1: phi = 0.519227905291 TCL: Center of mass = 39.0954378105 -0.797517122565 -3.50968014277 TCL: atom 1: phi = 0.519564195811 TCL: Center of mass = 39.0984284626 -0.797638608847 -3.5096179383 TCL: atom 1: phi = 0.520178782934 TCL: Center of mass = 39.1014103699 -0.797751991734 -3.50956348762 TCL: atom 1: phi = 0.520593626119 TCL: Center of mass = 39.1044073451 -0.797862808747 -3.50951401449 TCL: atom 1: phi = 0.521380135986 TCL: Center of mass = 39.1074057581 -0.797961808434 -3.50945914209 TCL: atom 1: phi = 0.521911212779 TCL: Center of mass = 39.1104014355 -0.798054581094 -3.50939199107 TCL: atom 1: phi = 0.522637123335 TCL: Center of mass = 39.1133968991 -0.798140044638 -3.50933320176 TCL: atom 1: phi = 0.522951449873 TCL: Center of mass = 39.1163913096 -0.79821882383 -3.50927616285 TCL: atom 1: phi = 0.523430575463 TCL: Center of mass = 39.1193980895 -0.798289331274 -3.50920980375 TCL: atom 1: phi = 0.523493472279 TCL: Center of mass = 39.1224100695 -0.798361572023 -3.50913772469 TCL: atom 1: phi = 0.523743824128 TCL: Center of mass = 39.1254225542 -0.798430640114 -3.50907476159 TCL: atom 1: phi = 0.523631294073 TCL: Center of mass = 39.1284242596 -0.798498241122 -3.50900996529 TCL: atom 1: phi = 0.523799788624 TCL: Center of mass = 39.1314350549 -0.798560382183 -3.50893115466 TCL: atom 1: phi = 0.523629488325 TCL: Center of mass = 39.1344391397 -0.798617588477 -3.50884637944 TCL: atom 1: phi = 0.52376714423 TCL: Center of mass = 39.137437046 -0.79867473767 -3.50876359159 TCL: atom 1: phi = 0.523542631431 TCL: Center of mass = 39.1404385903 -0.798735842619 -3.50868651375 TCL: atom 1: phi = 0.523619877741 TCL: Center of mass = 39.1434396633 -0.798804007651 -3.50861618465 TCL: atom 1: phi = 0.523298009462 TCL: Center of mass = 39.146450577 -0.798873901043 -3.50853442305 TCL: atom 1: phi = 0.523194443705 TCL: Center of mass = 39.1494601543 -0.798940267484 -3.50844804461 TCL: atom 1: phi = 0.522699865333 TCL: Center of mass = 39.1524669652 -0.799021903127 -3.50837209378 TCL: atom 1: phi = 0.522511449702 TCL: Center of mass = 39.155475468 -0.799093274014 -3.50829007716 TCL: atom 1: phi = 0.522012311902 TCL: Center of mass = 39.1584949864 -0.799150173577 -3.50820633032 TCL: atom 1: phi = 0.521968788061 TCL: Center of mass = 39.1615231693 -0.799220912413 -3.50812376169 TCL: atom 1: phi = 0.521746664509 TCL: Center of mass = 39.1645419643 -0.799290467675 -3.50803990437 TCL: atom 1: phi = 0.522008851392 TCL: Center of mass = 39.1675708783 -0.799349548026 -3.5079671188 TCL: atom 1: phi = 0.522053708343 TCL: Center of mass = 39.1705932378 -0.79942385412 -3.50789395655 TCL: atom 1: phi = 0.522535421462 TCL: Center of mass = 39.1736243188 -0.799510503822 -3.50782703772 TCL: atom 1: phi = 0.522673058498 TCL: Center of mass = 39.1766496283 -0.799594088787 -3.50775948294 TCL: atom 1: phi = 0.523072367209 TCL: Center of mass = 39.1796814218 -0.799675276379 -3.50768944955 TCL: atom 1: phi = 0.522960953407 TCL: Center of mass = 39.1827138753 -0.799765351181 -3.50762235898 TCL: atom 1: phi = 0.523050483105 TCL: Center of mass = 39.1857482503 -0.799853281293 -3.50756493949 TCL: atom 1: phi = 0.52270775611 TCL: Center of mass = 39.1887871566 -0.799947398959 -3.50751559821 TCL: atom 1: phi = 0.52272849512 TCL: Center of mass = 39.1918114338 -0.800037452387 -3.50746913654 TCL: atom 1: phi = 0.522361819812 TCL: Center of mass = 39.1948367512 -0.800137539814 -3.50742018794 TCL: atom 1: phi = 0.522377937947 TCL: Center of mass = 39.1978783141 -0.800243761538 -3.50738299635 TCL: atom 1: phi = 0.522043340305 TCL: Center of mass = 39.2009319373 -0.800350828964 -3.50734534125 TCL: atom 1: phi = 0.522064786986 TCL: Center of mass = 39.2039949919 -0.800456626879 -3.50731398439 TCL: atom 1: phi = 0.521679669561 TCL: Center of mass = 39.2070511061 -0.800560088672 -3.50727642973 TCL: atom 1: phi = 0.521538057503 TCL: Center of mass = 39.2101062298 -0.800663470378 -3.50722716049 TCL: atom 1: phi = 0.520975270554 TCL: Center of mass = 39.2131538026 -0.800767633812 -3.50716679902 TCL: atom 1: phi = 0.520650866651 TCL: Center of mass = 39.2162120077 -0.800860159715 -3.50711295403 TCL: atom 1: phi = 0.519944415204 TCL: Center of mass = 39.2192722863 -0.800955724238 -3.50706999341 TCL: atom 1: phi = 0.519531781588 TCL: Center of mass = 39.2223391156 -0.801062943286 -3.50702129261 TCL: atom 1: phi = 0.51889687239 TCL: Center of mass = 39.2254026923 -0.801175151584 -3.5069759894 TCL: atom 1: phi = 0.518644671009 TCL: Center of mass = 39.2284599481 -0.801279791868 -3.50692402111 TCL: atom 1: phi = 0.518193276441 TCL: Center of mass = 39.2315252993 -0.801391255307 -3.50686432904 TCL: atom 1: phi = 0.51805862415 TCL: Center of mass = 39.2345940913 -0.801504107019 -3.50682012558 TCL: atom 1: phi = 0.517653824259 TCL: Center of mass = 39.2376752432 -0.801619842742 -3.50676815835 TCL: atom 1: phi = 0.517383670954 TCL: Center of mass = 39.2407569972 -0.801742445447 -3.50671111744 TCL: atom 1: phi = 0.516820889026 TCL: Center of mass = 39.2438378035 -0.801862866894 -3.50665809942 TCL: atom 1: phi = 0.516378198983 TCL: Center of mass = 39.2469160501 -0.801990167797 -3.50660490315 TCL: atom 1: phi = 0.515647519012 TCL: Center of mass = 39.2499822244 -0.802138035398 -3.50656508089 TCL: atom 1: phi = 0.515072052932 TCL: Center of mass = 39.2530534499 -0.802284224809 -3.50653391686 TCL: atom 1: phi = 0.514277262335 TCL: Center of mass = 39.2561060232 -0.802433227543 -3.5064990742 TCL: atom 1: phi = 0.513733271026 TCL: Center of mass = 39.2591604027 -0.802582042973 -3.50646414501 TCL: atom 1: phi = 0.513009153435 TCL: Center of mass = 39.2622171863 -0.802731477938 -3.50643407723 TCL: atom 1: phi = 0.512555556482 TCL: Center of mass = 39.2652792687 -0.802888389032 -3.50640116939 TCL: atom 1: phi = 0.511928174786 TCL: Center of mass = 39.2683288064 -0.803044803174 -3.50636851905 TCL: atom 1: phi = 0.511517281772 TCL: Center of mass = 39.2713706123 -0.803191479932 -3.50633296703 TCL: atom 1: phi = 0.511006394706 TCL: Center of mass = 39.274415376 -0.803340423407 -3.50630090797 TCL: atom 1: phi = 0.510695131788 TCL: Center of mass = 39.2774536926 -0.80348667935 -3.50627441199 TCL: atom 1: phi = 0.510329450913 TCL: Center of mass = 39.2805046055 -0.803637820439 -3.50624327579 TCL: atom 1: phi = 0.510298901366 TCL: Center of mass = 39.2835517888 -0.803782354598 -3.50621255039 TCL: atom 1: phi = 0.510272385113 TCL: Center of mass = 39.2865830286 -0.803929594911 -3.50618286939 TCL: atom 1: phi = 0.51061070269 TCL: Center of mass = 39.2896197733 -0.804067146993 -3.50615235756 TCL: atom 1: phi = 0.51099434683 TCL: Center of mass = 39.2926557372 -0.80420984694 -3.50612903793 TCL: atom 1: phi = 0.511726114527 TCL: Center of mass = 39.2956897052 -0.804354088888 -3.50610482409 TCL: atom 1: phi = 0.512441620924 TCL: Center of mass = 39.298708456 -0.804490385755 -3.50608367274 TCL: atom 1: phi = 0.513354582372 TIMING: 13600 CPU: 2331.94, 0.172234/step Wall: 2850.61, 0.211007/step, 0.375123 hours remaining, 22051 kB of memory in use. ENERGY: 13600 389.6672 700.9188 423.7373 53.3929 -2768.4519 -226.1954 0.0000 0.0000 1117.4821 -309.4490 304.5451 -300.8322 -301.2256 313.2304 1062.7267 917.0393 64000.0000 975.5003 971.2445 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13600 WRITING COORDINATES TO DCD FILE AT STEP 13600 WRITING COORDINATES TO RESTART FILE AT STEP 13600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 39.3017333366 -0.804633809494 -3.50606373067 TCL: atom 1: phi = 0.514121691222 TCL: Center of mass = 39.3047591269 -0.804763654932 -3.50604312322 TCL: atom 1: phi = 0.515023658359 TCL: Center of mass = 39.3077839257 -0.804897639175 -3.50602408881 TCL: atom 1: phi = 0.515732328363 TCL: Center of mass = 39.3108000459 -0.805025888579 -3.50600968517 TCL: atom 1: phi = 0.516555990045 TCL: Center of mass = 39.3138082466 -0.805158635049 -3.50600640123 TCL: atom 1: phi = 0.517251044268 TCL: Center of mass = 39.3168238861 -0.805290097604 -3.50598505154 TCL: atom 1: phi = 0.518177051597 TCL: Center of mass = 39.319835796 -0.80542329537 -3.50597452323 TCL: atom 1: phi = 0.519058644647 TCL: Center of mass = 39.3228345765 -0.805559986209 -3.50595902934 TCL: atom 1: phi = 0.520201370172 TCL: Center of mass = 39.3258404665 -0.805687292276 -3.50593515941 TCL: atom 1: phi = 0.521192423165 TCL: Center of mass = 39.3288433467 -0.805811994671 -3.50590848637 TCL: atom 1: phi = 0.522390477568 TCL: Center of mass = 39.3318453605 -0.805938865173 -3.50585693562 TCL: atom 1: phi = 0.523349473535 TCL: Center of mass = 39.3348496425 -0.806058359818 -3.50580976066 TCL: atom 1: phi = 0.524433635949 TCL: Center of mass = 39.3378545076 -0.806179882759 -3.50576293496 TCL: atom 1: phi = 0.525312178909 TCL: Center of mass = 39.340868323 -0.80628759679 -3.50571278578 TCL: atom 1: phi = 0.526332486278 TCL: Center of mass = 39.3438719055 -0.806388793474 -3.50566590286 TCL: atom 1: phi = 0.527174690151 TCL: Center of mass = 39.3468777315 -0.806488920169 -3.50560460447 TCL: atom 1: phi = 0.528199928157 TCL: Center of mass = 39.3498747716 -0.8065782853 -3.5055444853 TCL: atom 1: phi = 0.529057403402 TCL: Center of mass = 39.3528660089 -0.806657333278 -3.50548398951 TCL: atom 1: phi = 0.53011397231 TCL: Center of mass = 39.355858407 -0.806741368633 -3.50543181977 TCL: atom 1: phi = 0.530938290913 TCL: Center of mass = 39.3588552179 -0.806819951993 -3.50538248786 TCL: atom 1: phi = 0.531862635732 TCL: Center of mass = 39.3618708289 -0.806896153907 -3.50532842294 TCL: atom 1: phi = 0.532431648628 TCL: Center of mass = 39.3648902102 -0.806974519647 -3.50527015118 TCL: atom 1: phi = 0.533023590058 TCL: Center of mass = 39.3679155669 -0.807058410433 -3.5052041577 TCL: atom 1: phi = 0.533240468955 TCL: Center of mass = 39.3709379086 -0.807137109535 -3.50514956801 TCL: atom 1: phi = 0.533460027198 TCL: Center of mass = 39.3739666855 -0.807225965925 -3.50509306193 TCL: atom 1: phi = 0.533345156897 TCL: Center of mass = 39.3769935179 -0.80730881722 -3.50504038369 TCL: atom 1: phi = 0.533298367363 TCL: Center of mass = 39.3800195306 -0.807395098298 -3.50498969224 TCL: atom 1: phi = 0.532981886457 TCL: Center of mass = 39.3830465133 -0.807487048386 -3.50492636375 TCL: atom 1: phi = 0.532801068673 TCL: Center of mass = 39.3860734625 -0.807578258373 -3.50486366122 TCL: atom 1: phi = 0.532351676386 TCL: Center of mass = 39.3891114374 -0.807674664231 -3.50480828243 TCL: atom 1: phi = 0.532063453983 TCL: Center of mass = 39.392143165 -0.807767292079 -3.50476415683 TCL: atom 1: phi = 0.531522752022 TCL: Center of mass = 39.3951780706 -0.807858845835 -3.50471805425 TCL: atom 1: phi = 0.531109531275 TCL: Center of mass = 39.3982225488 -0.807945246041 -3.50468143473 TCL: atom 1: phi = 0.53053771176 TCL: Center of mass = 39.4012715983 -0.808026492455 -3.50464209983 TCL: atom 1: phi = 0.530180387477 TCL: Center of mass = 39.4043264627 -0.808112237129 -3.50460594329 TCL: atom 1: phi = 0.529689810251 TCL: Center of mass = 39.4073934839 -0.808211405385 -3.50457768842 TCL: atom 1: phi = 0.529452215855 TCL: Center of mass = 39.4104630319 -0.808311309489 -3.50454427877 TCL: atom 1: phi = 0.529102711837 TCL: Center of mass = 39.4135277068 -0.808414328097 -3.50451424567 TCL: atom 1: phi = 0.528985734399 TCL: Center of mass = 39.416595001 -0.808516851876 -3.50448598109 TCL: atom 1: phi = 0.528712443725 TCL: Center of mass = 39.4196677877 -0.808626532827 -3.50445694362 TCL: atom 1: phi = 0.528690591022 TCL: Center of mass = 39.4227468905 -0.808738899077 -3.50442926851 TCL: atom 1: phi = 0.528461702969 TCL: Center of mass = 39.4258325211 -0.808844549966 -3.50442171344 TCL: atom 1: phi = 0.528327448577 TCL: Center of mass = 39.428905637 -0.808948372879 -3.50441263626 TCL: atom 1: phi = 0.527942191591 TCL: Center of mass = 39.4319737201 -0.80904440717 -3.50439755417 TCL: atom 1: phi = 0.5276108054 TCL: Center of mass = 39.4350421106 -0.809140176411 -3.50438359689 TCL: atom 1: phi = 0.527019349441 TCL: Center of mass = 39.4381154163 -0.809239752833 -3.50437164148 TCL: atom 1: phi = 0.526608303642 TCL: Center of mass = 39.4412012199 -0.809332694693 -3.50435919046 TCL: atom 1: phi = 0.526087145054 TCL: Center of mass = 39.4442868716 -0.809425123323 -3.50433852164 TCL: atom 1: phi = 0.525815019879 TCL: Center of mass = 39.4473804202 -0.809513240442 -3.50431623931 TCL: atom 1: phi = 0.525440958999 TCL: Center of mass = 39.4504676409 -0.809609095284 -3.50429320064 TCL: atom 1: phi = 0.525342746056 TCL: Center of mass = 39.4535552191 -0.809717554996 -3.50427926164 TCL: atom 1: phi = 0.525158940025 TCL: Center of mass = 39.4566504407 -0.809823726918 -3.50427066414 TCL: atom 1: phi = 0.525224369394 TCL: Center of mass = 39.459734457 -0.80993666677 -3.50427043444 TCL: atom 1: phi = 0.525162001071 TCL: Center of mass = 39.462806217 -0.810047073273 -3.50427048307 TCL: atom 1: phi = 0.52529997507 TCL: Center of mass = 39.4658657509 -0.810156325168 -3.50426373833 TCL: atom 1: phi = 0.525314879762 TCL: Center of mass = 39.4689420898 -0.810267696745 -3.50425361926 TCL: atom 1: phi = 0.525571176029 TCL: Center of mass = 39.4720168891 -0.810369620879 -3.50424507038 TCL: atom 1: phi = 0.525814577436 TCL: Center of mass = 39.4750800436 -0.810481154883 -3.50423747955 TCL: atom 1: phi = 0.526407891789 TCL: Center of mass = 39.4781406094 -0.810587411443 -3.50422059246 TCL: atom 1: phi = 0.526944883617 TCL: Center of mass = 39.4811927899 -0.810693500762 -3.50419469854 TCL: atom 1: phi = 0.527775153016 TCL: Center of mass = 39.4842480239 -0.810799663358 -3.50415948207 TCL: atom 1: phi = 0.52851205302 TCL: Center of mass = 39.4873068469 -0.81091263555 -3.50412874668 TCL: atom 1: phi = 0.529436126145 TCL: Center of mass = 39.4903665671 -0.811035579325 -3.50410511821 TCL: atom 1: phi = 0.530202789937 TCL: Center of mass = 39.4934127732 -0.81115988184 -3.50408433352 TCL: atom 1: phi = 0.531145455894 TCL: Center of mass = 39.4964529814 -0.811289770367 -3.50406098854 TCL: atom 1: phi = 0.531803579903 TCL: Center of mass = 39.4994924107 -0.811426113633 -3.50403432335 TCL: atom 1: phi = 0.532604707905 TCL: Center of mass = 39.5025262728 -0.811565207728 -3.50401738558 TCL: atom 1: phi = 0.533203965233 TCL: Center of mass = 39.5055533098 -0.811701554801 -3.50399600461 TCL: atom 1: phi = 0.534029074102 TCL: Center of mass = 39.508578297 -0.811833821625 -3.50396940969 TCL: atom 1: phi = 0.534671092287 TCL: Center of mass = 39.5116044125 -0.811965870971 -3.50393630691 TCL: atom 1: phi = 0.535534872627 TCL: Center of mass = 39.514634482 -0.812106458021 -3.50389146473 TCL: atom 1: phi = 0.536159896043 TCL: Center of mass = 39.517660877 -0.812243672541 -3.50383888161 TCL: atom 1: phi = 0.537016931282 TCL: Center of mass = 39.5206879203 -0.812381100187 -3.50378299039 TCL: atom 1: phi = 0.537653541248 TCL: Center of mass = 39.5237182209 -0.812513918188 -3.50372511753 TCL: atom 1: phi = 0.538507877087 TCL: Center of mass = 39.5267440754 -0.812640203001 -3.50367463205 TCL: atom 1: phi = 0.539117343488 TCL: Center of mass = 39.5297674535 -0.812773439139 -3.50362849986 TCL: atom 1: phi = 0.539945396163 TCL: Center of mass = 39.5327851717 -0.812905558209 -3.50358663394 TCL: atom 1: phi = 0.54051914052 TCL: Center of mass = 39.5358113605 -0.813037954154 -3.50354878337 TCL: atom 1: phi = 0.541361333064 TCL: Center of mass = 39.5388434084 -0.813165410432 -3.50351819259 TCL: atom 1: phi = 0.541960858971 TCL: Center of mass = 39.5418603404 -0.813295014881 -3.50348955515 TCL: atom 1: phi = 0.542840318043 TCL: Center of mass = 39.5448716885 -0.813418358053 -3.50345831037 TCL: atom 1: phi = 0.543390844077 TCL: Center of mass = 39.547896431 -0.813542967177 -3.50342692355 TCL: atom 1: phi = 0.544098635337 TCL: Center of mass = 39.5509254086 -0.813654079452 -3.50339242013 TCL: atom 1: phi = 0.544405740148 TCL: Center of mass = 39.5539486639 -0.813765352766 -3.50334881174 TCL: atom 1: phi = 0.544857080087 TCL: Center of mass = 39.5569745767 -0.813885625565 -3.50330005473 TCL: atom 1: phi = 0.544861646261 TCL: Center of mass = 39.5600110804 -0.814005126444 -3.50325175595 TCL: atom 1: phi = 0.545030677025 TCL: Center of mass = 39.5630489671 -0.814130306027 -3.50320977734 TCL: atom 1: phi = 0.544846420222 TCL: Center of mass = 39.5660865885 -0.814246871813 -3.50317593743 TCL: atom 1: phi = 0.544940051598 TCL: Center of mass = 39.5691307994 -0.814366947545 -3.50313658404 TCL: atom 1: phi = 0.544737948087 TCL: Center of mass = 39.5721805692 -0.814494992714 -3.50309033728 TCL: atom 1: phi = 0.544868124257 TCL: Center of mass = 39.5752230836 -0.814630434356 -3.50303733954 TCL: atom 1: phi = 0.544739645027 TCL: Center of mass = 39.5782808287 -0.814767424283 -3.50297842755 TCL: atom 1: phi = 0.54492286399 TCL: Center of mass = 39.5813397223 -0.81489594064 -3.50291770243 TCL: atom 1: phi = 0.544804485745 TCL: Center of mass = 39.5843897201 -0.815025784394 -3.50286219501 TCL: atom 1: phi = 0.544929800934 TCL: Center of mass = 39.5874373699 -0.815170905746 -3.50280612984 TCL: atom 1: phi = 0.544728220137 TCL: Center of mass = 39.5904869243 -0.815311391684 -3.50273831861 TCL: atom 1: phi = 0.544830026046 TCL: Center of mass = 39.5935332586 -0.815439964394 -3.50266433958 TCL: atom 1: phi = 0.544613386471 TCL: Center of mass = 39.5965725832 -0.815565816424 -3.50259495778 TCL: atom 1: phi = 0.544632893492 TCL: Center of mass = 39.5996061592 -0.815685456786 -3.5025328385 TCL: atom 1: phi = 0.54439582898 TCL: Center of mass = 39.6026503722 -0.815799592154 -3.5024801183 TCL: atom 1: phi = 0.544434383824 TIMING: 13700 CPU: 2349.19, 0.172474/step Wall: 2871.74, 0.211274/step, 0.369729 hours remaining, 22051 kB of memory in use. ENERGY: 13700 395.9651 678.9524 410.0629 48.3146 -2779.6138 -217.9566 0.0000 0.0000 1169.7764 -294.4989 318.7968 -285.8462 -286.3607 313.3801 1364.7620 1041.0834 64000.0000 809.9370 815.5124 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13700 WRITING COORDINATES TO DCD FILE AT STEP 13700 WRITING COORDINATES TO RESTART FILE AT STEP 13700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 39.6056973454 -0.815905148794 -3.50243163623 TCL: atom 1: phi = 0.544149900852 TCL: Center of mass = 39.6087530432 -0.816019593844 -3.50239273315 TCL: atom 1: phi = 0.544113210243 TCL: Center of mass = 39.6118095961 -0.816119255195 -3.50236017392 TCL: atom 1: phi = 0.543685311769 TCL: Center of mass = 39.614868794 -0.81621312078 -3.50231673831 TCL: atom 1: phi = 0.543465198116 TCL: Center of mass = 39.6179478948 -0.816307213133 -3.50227947082 TCL: atom 1: phi = 0.542881167379 TCL: Center of mass = 39.6210291583 -0.816422417183 -3.50224862275 TCL: atom 1: phi = 0.542443504612 TCL: Center of mass = 39.6241141375 -0.816526597715 -3.50222622233 TCL: atom 1: phi = 0.541707448587 TCL: Center of mass = 39.6272141335 -0.816633906926 -3.50219594292 TCL: atom 1: phi = 0.541211699811 TCL: Center of mass = 39.6303155581 -0.816737295459 -3.5021736605 TCL: atom 1: phi = 0.540440985958 TCL: Center of mass = 39.6334164068 -0.81684253809 -3.50214994834 TCL: atom 1: phi = 0.539979312745 TCL: Center of mass = 39.6365061038 -0.816946522672 -3.50213513654 TCL: atom 1: phi = 0.539361064125 TCL: Center of mass = 39.6395842247 -0.817041530381 -3.50211111161 TCL: atom 1: phi = 0.539037657342 TCL: Center of mass = 39.6426561202 -0.817146996943 -3.50208572877 TCL: atom 1: phi = 0.538613957723 TCL: Center of mass = 39.6457228196 -0.817249919619 -3.50206110764 TCL: atom 1: phi = 0.538463701616 TCL: Center of mass = 39.6487946005 -0.81734054312 -3.50202876618 TCL: atom 1: phi = 0.538165773047 TCL: Center of mass = 39.6518683345 -0.817431814343 -3.50200967679 TCL: atom 1: phi = 0.538145411188 TCL: Center of mass = 39.6549370976 -0.817518290035 -3.50199481423 TCL: atom 1: phi = 0.538063511236 TCL: Center of mass = 39.6580014083 -0.817608697143 -3.50198934967 TCL: atom 1: phi = 0.538267496179 TCL: Center of mass = 39.6610661858 -0.817703166685 -3.50198466276 TCL: atom 1: phi = 0.538392983888 TCL: Center of mass = 39.6641336917 -0.817802164865 -3.50198421814 TCL: atom 1: phi = 0.538790445209 TCL: Center of mass = 39.6671904896 -0.81790563842 -3.50199647257 TCL: atom 1: phi = 0.539077641216 TCL: Center of mass = 39.670244082 -0.818020363516 -3.50200682937 TCL: atom 1: phi = 0.53959615801 TCL: Center of mass = 39.6733044531 -0.818118877924 -3.50201872819 TCL: atom 1: phi = 0.53995569761 TCL: Center of mass = 39.6763668441 -0.818216324843 -3.50204202887 TCL: atom 1: phi = 0.540534903388 TCL: Center of mass = 39.6794305934 -0.818311527279 -3.50205713211 TCL: atom 1: phi = 0.540861413571 TCL: Center of mass = 39.682501826 -0.818405598194 -3.50207442845 TCL: atom 1: phi = 0.541320430215 TCL: Center of mass = 39.6855772154 -0.818488648479 -3.50208731505 TCL: atom 1: phi = 0.541515323245 TCL: Center of mass = 39.6886528786 -0.818570945243 -3.50209590576 TCL: atom 1: phi = 0.541958825029 TCL: Center of mass = 39.6917180651 -0.818638560736 -3.50210860785 TCL: atom 1: phi = 0.54222659674 TCL: Center of mass = 39.694786725 -0.818712803866 -3.50211756522 TCL: atom 1: phi = 0.542765410847 TCL: Center of mass = 39.6978606289 -0.818795555268 -3.50211727963 TCL: atom 1: phi = 0.543161719115 TCL: Center of mass = 39.7009333029 -0.81887560235 -3.50211289995 TCL: atom 1: phi = 0.543837642873 TCL: Center of mass = 39.7040111336 -0.818950494122 -3.50210647453 TCL: atom 1: phi = 0.544309357226 TCL: Center of mass = 39.7070881623 -0.819020202639 -3.50211276424 TCL: atom 1: phi = 0.545019024609 TCL: Center of mass = 39.7101660012 -0.819094182812 -3.50211988432 TCL: atom 1: phi = 0.545435683364 TCL: Center of mass = 39.7132253813 -0.819168402255 -3.50212876916 TCL: atom 1: phi = 0.546048936051 TCL: Center of mass = 39.7162990094 -0.819249629687 -3.50213296994 TCL: atom 1: phi = 0.54635108373 TCL: Center of mass = 39.7193711723 -0.819330618667 -3.50214481432 TCL: atom 1: phi = 0.546794952963 TCL: Center of mass = 39.722437368 -0.819412958093 -3.50215429759 TCL: atom 1: phi = 0.546952787975 TCL: Center of mass = 39.7255104529 -0.819493408248 -3.5021698014 TCL: atom 1: phi = 0.547262941671 TCL: Center of mass = 39.7285818096 -0.819576968737 -3.50217900592 TCL: atom 1: phi = 0.547291523381 TCL: Center of mass = 39.7316497966 -0.819659909508 -3.50219278533 TCL: atom 1: phi = 0.547506254183 TCL: Center of mass = 39.7347187556 -0.819743764779 -3.50221448566 TCL: atom 1: phi = 0.547436372274 TCL: Center of mass = 39.7377939395 -0.819829536133 -3.50223038457 TCL: atom 1: phi = 0.547506342956 TCL: Center of mass = 39.7408820076 -0.819914363123 -3.50226002837 TCL: atom 1: phi = 0.54724898779 TCL: Center of mass = 39.7439800482 -0.819982517644 -3.5023005897 TCL: atom 1: phi = 0.547138506665 TCL: Center of mass = 39.7470729774 -0.820038473534 -3.50234234551 TCL: atom 1: phi = 0.546756327393 TCL: Center of mass = 39.7501535422 -0.82009971054 -3.50238597425 TCL: atom 1: phi = 0.54656920952 TCL: Center of mass = 39.7532279238 -0.820152931609 -3.50243032065 TCL: atom 1: phi = 0.546163264486 TCL: Center of mass = 39.7563077734 -0.82019724592 -3.50247891976 TCL: atom 1: phi = 0.546032388701 TCL: Center of mass = 39.7593790809 -0.82023697738 -3.50251997053 TCL: atom 1: phi = 0.545781010608 TCL: Center of mass = 39.7624450074 -0.820278978629 -3.5025744604 TCL: atom 1: phi = 0.545905055589 TCL: Center of mass = 39.765518359 -0.82032842854 -3.50263067931 TCL: atom 1: phi = 0.545826403603 TCL: Center of mass = 39.7686019085 -0.820381096252 -3.50268798496 TCL: atom 1: phi = 0.545992934889 TCL: Center of mass = 39.7716918261 -0.820435709607 -3.50275376899 TCL: atom 1: phi = 0.545933729425 TCL: Center of mass = 39.7747943842 -0.820479882833 -3.50281276998 TCL: atom 1: phi = 0.546065879376 TCL: Center of mass = 39.7778903191 -0.820519966562 -3.50287006342 TCL: atom 1: phi = 0.545959545779 TCL: Center of mass = 39.7809873973 -0.820552420557 -3.50294003888 TCL: atom 1: phi = 0.546076261414 TCL: Center of mass = 39.7840817178 -0.820576736649 -3.50301375928 TCL: atom 1: phi = 0.545978322334 TCL: Center of mass = 39.7871782522 -0.820595121115 -3.50308453739 TCL: atom 1: phi = 0.5460896865 TCL: Center of mass = 39.7902740856 -0.82062033552 -3.50314815281 TCL: atom 1: phi = 0.545966766645 TCL: Center of mass = 39.793363568 -0.82064948039 -3.50320786399 TCL: atom 1: phi = 0.54602789102 TCL: Center of mass = 39.7964579857 -0.820672720287 -3.50325901569 TCL: atom 1: phi = 0.545787240692 TCL: Center of mass = 39.7995471424 -0.820700423457 -3.50329914435 TCL: atom 1: phi = 0.545683839952 TCL: Center of mass = 39.8026372978 -0.820736815756 -3.50334123207 TCL: atom 1: phi = 0.545279887431 TCL: Center of mass = 39.8057256281 -0.820776007807 -3.50338058641 TCL: atom 1: phi = 0.544995121096 TCL: Center of mass = 39.8088077454 -0.820827294508 -3.50342068067 TCL: atom 1: phi = 0.544411307433 TCL: Center of mass = 39.8118919379 -0.820876543843 -3.50346563573 TCL: atom 1: phi = 0.544011625334 TCL: Center of mass = 39.814977723 -0.820928778939 -3.50351483304 TCL: atom 1: phi = 0.54338777094 TCL: Center of mass = 39.8180646456 -0.820968678972 -3.50358205611 TCL: atom 1: phi = 0.543051115097 TCL: Center of mass = 39.8211580011 -0.82100136383 -3.50364968152 TCL: atom 1: phi = 0.542626517475 TCL: Center of mass = 39.8242437539 -0.821028370441 -3.50371510963 TCL: atom 1: phi = 0.542515632982 TCL: Center of mass = 39.827325726 -0.82106055637 -3.50378054749 TCL: atom 1: phi = 0.542294306637 TCL: Center of mass = 39.8304101309 -0.821107073041 -3.50385056461 TCL: atom 1: phi = 0.54237073273 TCL: Center of mass = 39.833497082 -0.821143674011 -3.50390754575 TCL: atom 1: phi = 0.542275276295 TCL: Center of mass = 39.8365871583 -0.821179704739 -3.5039512443 TCL: atom 1: phi = 0.54241129968 TCL: Center of mass = 39.8396715164 -0.821219937551 -3.50398702557 TCL: atom 1: phi = 0.542335443034 TCL: Center of mass = 39.8427585347 -0.821255788908 -3.50400036448 TCL: atom 1: phi = 0.542420193325 TCL: Center of mass = 39.8458460151 -0.821292756034 -3.50402477311 TCL: atom 1: phi = 0.542341577347 TCL: Center of mass = 39.8489412564 -0.821333603855 -3.50406139522 TCL: atom 1: phi = 0.542536855313 TCL: Center of mass = 39.8520408767 -0.82136646102 -3.50409482284 TCL: atom 1: phi = 0.542568697177 TCL: Center of mass = 39.8551375688 -0.821398746151 -3.50412671218 TCL: atom 1: phi = 0.54282346137 TCL: Center of mass = 39.8582204522 -0.821435618652 -3.50415700183 TCL: atom 1: phi = 0.542886208807 TCL: Center of mass = 39.8613054507 -0.821484123655 -3.50419269416 TCL: atom 1: phi = 0.543140378626 TCL: Center of mass = 39.864388368 -0.821540913205 -3.50422462463 TCL: atom 1: phi = 0.543207576003 TCL: Center of mass = 39.8674760848 -0.821600255797 -3.50426001792 TCL: atom 1: phi = 0.543456253175 TCL: Center of mass = 39.8705661631 -0.821658118293 -3.50429953536 TCL: atom 1: phi = 0.543528737186 TCL: Center of mass = 39.8736589041 -0.82172601158 -3.50432857038 TCL: atom 1: phi = 0.543881726726 TCL: Center of mass = 39.8767533625 -0.821803242604 -3.50435041941 TCL: atom 1: phi = 0.544086617839 TCL: Center of mass = 39.8798460619 -0.82186697189 -3.50436631162 TCL: atom 1: phi = 0.544636783126 TCL: Center of mass = 39.8829465223 -0.821939321768 -3.50437978806 TCL: atom 1: phi = 0.545111355101 TCL: Center of mass = 39.8860519716 -0.822021766408 -3.50438728018 TCL: atom 1: phi = 0.545939369995 TCL: Center of mass = 39.8891631875 -0.822096167894 -3.50439014855 TCL: atom 1: phi = 0.546669009497 TCL: Center of mass = 39.8922733451 -0.822169701423 -3.50438462958 TCL: atom 1: phi = 0.547657757609 TCL: Center of mass = 39.8953778951 -0.822245392543 -3.50436569323 TCL: atom 1: phi = 0.548407298926 TCL: Center of mass = 39.8984849645 -0.822324038494 -3.50435677526 TCL: atom 1: phi = 0.549369404024 TCL: Center of mass = 39.9015919423 -0.822396851592 -3.50435709103 TCL: atom 1: phi = 0.550033373329 TCL: Center of mass = 39.904701894 -0.822466306746 -3.50436629107 TCL: atom 1: phi = 0.550892479609 TCL: Center of mass = 39.9078194778 -0.822534075487 -3.50437253646 TCL: atom 1: phi = 0.55137346311 TCL: Center of mass = 39.9109450911 -0.822609017418 -3.50437623729 TCL: atom 1: phi = 0.552024874158 TIMING: 13800 CPU: 2366.43, 0.172344/step Wall: 2892.84, 0.211039/step, 0.363455 hours remaining, 22051 kB of memory in use. ENERGY: 13800 404.9425 711.8813 401.4505 39.0754 -2793.9882 -214.5646 0.0000 0.0000 1162.0005 -289.2026 316.6776 -280.8635 -280.0632 314.6523 1062.2799 1138.2002 64000.0000 1096.8702 1092.5211 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13800 WRITING COORDINATES TO DCD FILE AT STEP 13800 WRITING COORDINATES TO RESTART FILE AT STEP 13800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 39.9140897493 -0.822688536773 -3.50438525412 TCL: atom 1: phi = 0.55226396315 TCL: Center of mass = 39.917238912 -0.822772898477 -3.50439652028 TCL: atom 1: phi = 0.552687940507 TCL: Center of mass = 39.9203885145 -0.822860890051 -3.50441668972 TCL: atom 1: phi = 0.55268965988 TCL: Center of mass = 39.9235318581 -0.822946181939 -3.50443814283 TCL: atom 1: phi = 0.552868063123 TCL: Center of mass = 39.926671674 -0.82302974531 -3.50446699453 TCL: atom 1: phi = 0.552635704932 TCL: Center of mass = 39.9298202731 -0.823111536811 -3.50448877077 TCL: atom 1: phi = 0.552527974803 TCL: Center of mass = 39.9329606689 -0.823206214696 -3.50450390929 TCL: atom 1: phi = 0.552027326205 TCL: Center of mass = 39.936097604 -0.82328990418 -3.50452411755 TCL: atom 1: phi = 0.551715556651 TCL: Center of mass = 39.9392281204 -0.823376325495 -3.5045499353 TCL: atom 1: phi = 0.551065740211 TCL: Center of mass = 39.9423662643 -0.823461546548 -3.50459190538 TCL: atom 1: phi = 0.550690761393 TCL: Center of mass = 39.9455074635 -0.823544795884 -3.50462442982 TCL: atom 1: phi = 0.550099878191 TCL: Center of mass = 39.9486537375 -0.82362584651 -3.50466183819 TCL: atom 1: phi = 0.549833403048 TCL: Center of mass = 39.9518022979 -0.823714497085 -3.50469250184 TCL: atom 1: phi = 0.549412148296 TCL: Center of mass = 39.9549690625 -0.823809842525 -3.50471981491 TCL: atom 1: phi = 0.549291418703 TCL: Center of mass = 39.9581401699 -0.823906684066 -3.50474877007 TCL: atom 1: phi = 0.548946153824 TCL: Center of mass = 39.9613071809 -0.824000033296 -3.50477955251 TCL: atom 1: phi = 0.548870010382 TCL: Center of mass = 39.9644817805 -0.824092116347 -3.50480788715 TCL: atom 1: phi = 0.548584656557 TCL: Center of mass = 39.9676721388 -0.824179684777 -3.50484943604 TCL: atom 1: phi = 0.54850496487 TCL: Center of mass = 39.9708551824 -0.824266598941 -3.50489441987 TCL: atom 1: phi = 0.548203441115 TCL: Center of mass = 39.9740323668 -0.824360584276 -3.50493600867 TCL: atom 1: phi = 0.54809716954 TCL: Center of mass = 39.9772055733 -0.824445994053 -3.50497594482 TCL: atom 1: phi = 0.547806675076 TCL: Center of mass = 39.9803627479 -0.824543468637 -3.50501824421 TCL: atom 1: phi = 0.547756640332 TCL: Center of mass = 39.9835090237 -0.824635404613 -3.50504657039 TCL: atom 1: phi = 0.547554582616 TCL: Center of mass = 39.9866642941 -0.82472088289 -3.50507999124 TCL: atom 1: phi = 0.547600185016 TCL: Center of mass = 39.9898208664 -0.824808149325 -3.50511369765 TCL: atom 1: phi = 0.547443391583 TCL: Center of mass = 39.9929785925 -0.824889343783 -3.50514194571 TCL: atom 1: phi = 0.547493191361 TCL: Center of mass = 39.9961257874 -0.824952719815 -3.50517851014 TCL: atom 1: phi = 0.547359430139 TCL: Center of mass = 39.9992779734 -0.82501634201 -3.50522152968 TCL: atom 1: phi = 0.547497037715 TCL: Center of mass = 40.0024201357 -0.825074051978 -3.50526725997 TCL: atom 1: phi = 0.547473439831 TCL: Center of mass = 40.0055625665 -0.825124560904 -3.50532355106 TCL: atom 1: phi = 0.547740911777 TCL: Center of mass = 40.0087092979 -0.825185288553 -3.50538193673 TCL: atom 1: phi = 0.547957363476 TCL: Center of mass = 40.0118557243 -0.82524001784 -3.5054305035 TCL: atom 1: phi = 0.548546648315 TCL: Center of mass = 40.0149952427 -0.825285513918 -3.50546980362 TCL: atom 1: phi = 0.549040876444 TCL: Center of mass = 40.0181351791 -0.825336402648 -3.50551244942 TCL: atom 1: phi = 0.549877270537 TCL: Center of mass = 40.0212754919 -0.825391929697 -3.50555187793 TCL: atom 1: phi = 0.550473798377 TCL: Center of mass = 40.0244094019 -0.825447894619 -3.50558247403 TCL: atom 1: phi = 0.551379666428 TCL: Center of mass = 40.0275476872 -0.825496506341 -3.5056071115 TCL: atom 1: phi = 0.552026614698 TCL: Center of mass = 40.0306887583 -0.825553266628 -3.50564144641 TCL: atom 1: phi = 0.552876052648 TCL: Center of mass = 40.0338382279 -0.825614884492 -3.50567917398 TCL: atom 1: phi = 0.553417644952 TCL: Center of mass = 40.0369874503 -0.825681589558 -3.5057135633 TCL: atom 1: phi = 0.554162048747 TCL: Center of mass = 40.0401350585 -0.825756751808 -3.50573936077 TCL: atom 1: phi = 0.554614018121 TCL: Center of mass = 40.0432784226 -0.825831442866 -3.50577166972 TCL: atom 1: phi = 0.555300177998 TCL: Center of mass = 40.0464143218 -0.825899924539 -3.50580378143 TCL: atom 1: phi = 0.555619796642 TCL: Center of mass = 40.0495668215 -0.825962231894 -3.50583564654 TCL: atom 1: phi = 0.556210900517 TCL: Center of mass = 40.0527167125 -0.826016104706 -3.50586419291 TCL: atom 1: phi = 0.556452851278 TCL: Center of mass = 40.0558685665 -0.826070752351 -3.50588512784 TCL: atom 1: phi = 0.556910580016 TCL: Center of mass = 40.0590201609 -0.826110919962 -3.5058959122 TCL: atom 1: phi = 0.556982609783 TCL: Center of mass = 40.0621718303 -0.826154283146 -3.50591883944 TCL: atom 1: phi = 0.557290911198 TCL: Center of mass = 40.0653215348 -0.826202175562 -3.50594054601 TCL: atom 1: phi = 0.557258830856 TCL: Center of mass = 40.0684642426 -0.826245838411 -3.50595774552 TCL: atom 1: phi = 0.55745139601 TCL: Center of mass = 40.07160283 -0.826273190697 -3.50597551316 TCL: atom 1: phi = 0.557392393522 TCL: Center of mass = 40.0747384487 -0.826302070015 -3.50598489314 TCL: atom 1: phi = 0.557673345433 TCL: Center of mass = 40.0778714295 -0.826325029204 -3.50599941499 TCL: atom 1: phi = 0.557763760756 TCL: Center of mass = 40.0810106446 -0.826358140796 -3.50601947199 TCL: atom 1: phi = 0.558087549419 TCL: Center of mass = 40.0841568983 -0.826406423197 -3.50603979617 TCL: atom 1: phi = 0.558155238533 TCL: Center of mass = 40.0872970086 -0.826450615596 -3.50606042157 TCL: atom 1: phi = 0.558400872827 TCL: Center of mass = 40.090434471 -0.826485207815 -3.50608300821 TCL: atom 1: phi = 0.558314672631 TCL: Center of mass = 40.0935762338 -0.82651363146 -3.50610395975 TCL: atom 1: phi = 0.558379361036 TCL: Center of mass = 40.0967143469 -0.826547360919 -3.50611270338 TCL: atom 1: phi = 0.558106553756 TCL: Center of mass = 40.0998379382 -0.82658093281 -3.50612369156 TCL: atom 1: phi = 0.558017681521 TCL: Center of mass = 40.1029681669 -0.826628906958 -3.50614511438 TCL: atom 1: phi = 0.557635841053 TCL: Center of mass = 40.1061019037 -0.826678148748 -3.50616564697 TCL: atom 1: phi = 0.557396217328 TCL: Center of mass = 40.1092277991 -0.826734090993 -3.50619237839 TCL: atom 1: phi = 0.556884718951 TCL: Center of mass = 40.1123566512 -0.826795277824 -3.50621933631 TCL: atom 1: phi = 0.55655881373 TCL: Center of mass = 40.115483911 -0.826852314257 -3.50624395494 TCL: atom 1: phi = 0.556039546859 TCL: Center of mass = 40.1186075607 -0.82691345527 -3.5062589178 TCL: atom 1: phi = 0.555672364755 TCL: Center of mass = 40.1217376676 -0.826972745174 -3.50626569492 TCL: atom 1: phi = 0.555078147943 TCL: Center of mass = 40.1248634352 -0.827025348652 -3.50627753713 TCL: atom 1: phi = 0.554705888213 TCL: Center of mass = 40.1279926371 -0.827099802814 -3.50629693971 TCL: atom 1: phi = 0.55414338275 TCL: Center of mass = 40.1311138739 -0.827162213623 -3.50631803906 TCL: atom 1: phi = 0.553835839393 TCL: Center of mass = 40.1342288637 -0.827226496149 -3.50633339487 TCL: atom 1: phi = 0.553467706156 TCL: Center of mass = 40.1373514707 -0.827284241493 -3.50634675476 TCL: atom 1: phi = 0.553498198547 TCL: Center of mass = 40.1404655641 -0.827331795112 -3.50635484073 TCL: atom 1: phi = 0.553528045594 TCL: Center of mass = 40.1435704299 -0.827377547562 -3.50636863955 TCL: atom 1: phi = 0.553912330756 TCL: Center of mass = 40.1466768391 -0.827419341622 -3.50638673837 TCL: atom 1: phi = 0.554245542447 TCL: Center of mass = 40.1497903197 -0.827461548708 -3.50641275348 TCL: atom 1: phi = 0.554853669396 TCL: Center of mass = 40.1529145715 -0.827497967222 -3.50644189765 TCL: atom 1: phi = 0.555341685364 TCL: Center of mass = 40.1560333994 -0.827538414175 -3.50647129553 TCL: atom 1: phi = 0.556066952322 TCL: Center of mass = 40.1591681639 -0.827586938455 -3.50649784153 TCL: atom 1: phi = 0.556650492766 TCL: Center of mass = 40.1623112497 -0.827634345981 -3.50652914706 TCL: atom 1: phi = 0.557442211116 TCL: Center of mass = 40.165449512 -0.827679567985 -3.50654087552 TCL: atom 1: phi = 0.558005353787 TCL: Center of mass = 40.1685875486 -0.827722854607 -3.50655213646 TCL: atom 1: phi = 0.558740146742 TCL: Center of mass = 40.1717129026 -0.827779896461 -3.50656796175 TCL: atom 1: phi = 0.559244807267 TCL: Center of mass = 40.1748431481 -0.827848684538 -3.50658901049 TCL: atom 1: phi = 0.559904364766 TCL: Center of mass = 40.1779846122 -0.82792264961 -3.50661889466 TCL: atom 1: phi = 0.560322178947 TCL: Center of mass = 40.1811250755 -0.827987267802 -3.50664102779 TCL: atom 1: phi = 0.560875797669 TCL: Center of mass = 40.1842638909 -0.828057939657 -3.50666654854 TCL: atom 1: phi = 0.561164476733 TCL: Center of mass = 40.1874102307 -0.82813380478 -3.50670120296 TCL: atom 1: phi = 0.5616109424 TCL: Center of mass = 40.1905485975 -0.828225572774 -3.50673437669 TCL: atom 1: phi = 0.561895605577 TCL: Center of mass = 40.1936822593 -0.828321296469 -3.50678067907 TCL: atom 1: phi = 0.562374017811 TCL: Center of mass = 40.1968204608 -0.828441325997 -3.5068210196 TCL: atom 1: phi = 0.562691305166 TCL: Center of mass = 40.1999572902 -0.828571669812 -3.50686468976 TCL: atom 1: phi = 0.563353154533 TCL: Center of mass = 40.2030869796 -0.828695899363 -3.50690363951 TCL: atom 1: phi = 0.563879332134 TCL: Center of mass = 40.2062038881 -0.828810176112 -3.50694290512 TCL: atom 1: phi = 0.564703298308 TCL: Center of mass = 40.2093067605 -0.828923850668 -3.50698450843 TCL: atom 1: phi = 0.565354012932 TCL: Center of mass = 40.2124142404 -0.829031949099 -3.50703619835 TCL: atom 1: phi = 0.566245412649 TCL: Center of mass = 40.2155106568 -0.829145536525 -3.5070863645 TCL: atom 1: phi = 0.566901392696 TCL: Center of mass = 40.2185996961 -0.829245727362 -3.50713601085 TCL: atom 1: phi = 0.56774445347 TCL: Center of mass = 40.2216891157 -0.829344356488 -3.50718401716 TCL: atom 1: phi = 0.568312745859 TCL: Center of mass = 40.2247776219 -0.8294515814 -3.50723003397 TCL: atom 1: phi = 0.568970049992 TIMING: 13900 CPU: 2383.68, 0.172544/step Wall: 2913.89, 0.210503/step, 0.356686 hours remaining, 22051 kB of memory in use. ENERGY: 13900 399.0800 714.2382 407.9898 38.9598 -2766.4748 -243.2605 0.0000 0.0000 1144.9327 -304.5350 312.0262 -295.8684 -295.8866 315.8484 968.9659 790.4760 64000.0000 960.3489 958.1398 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 13900 WRITING COORDINATES TO DCD FILE AT STEP 13900 WRITING COORDINATES TO RESTART FILE AT STEP 13900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 13900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 40.2278629723 -0.82956877124 -3.50727717266 TCL: atom 1: phi = 0.569315713805 TCL: Center of mass = 40.2309551476 -0.829687501908 -3.50733417318 TCL: atom 1: phi = 0.569786561933 TCL: Center of mass = 40.2340483414 -0.829804421343 -3.50738338649 TCL: atom 1: phi = 0.56996858444 TCL: Center of mass = 40.2371408822 -0.829921117809 -3.50743339941 TCL: atom 1: phi = 0.570344934336 TCL: Center of mass = 40.2402362592 -0.830036770261 -3.50746877141 TCL: atom 1: phi = 0.570465021542 TCL: Center of mass = 40.2433360846 -0.830157989676 -3.50749413638 TCL: atom 1: phi = 0.570770925431 TCL: Center of mass = 40.2464320366 -0.830274120111 -3.50751043299 TCL: atom 1: phi = 0.570796226354 TCL: Center of mass = 40.2495334935 -0.83039841306 -3.50751960863 TCL: atom 1: phi = 0.571021888903 TCL: Center of mass = 40.2526267092 -0.830536435899 -3.50752645129 TCL: atom 1: phi = 0.570981046159 TCL: Center of mass = 40.255721109 -0.830657994486 -3.50753179356 TCL: atom 1: phi = 0.571167668539 TCL: Center of mass = 40.2588109639 -0.830781122685 -3.50753920275 TCL: atom 1: phi = 0.571166967058 TCL: Center of mass = 40.2619037208 -0.830904861529 -3.50754572378 TCL: atom 1: phi = 0.571449644272 TCL: Center of mass = 40.2649998133 -0.831031352694 -3.50755104139 TCL: atom 1: phi = 0.571512518929 TCL: Center of mass = 40.2680986331 -0.83116107266 -3.50755879354 TCL: atom 1: phi = 0.571803150244 TCL: Center of mass = 40.2711960789 -0.831283284808 -3.50758085436 TCL: atom 1: phi = 0.571891708143 TCL: Center of mass = 40.2742954481 -0.8314100714 -3.50759038889 TCL: atom 1: phi = 0.572208509429 TCL: Center of mass = 40.2773981126 -0.831543816365 -3.50759414449 TCL: atom 1: phi = 0.57221791946 TCL: Center of mass = 40.2805001149 -0.831680219229 -3.50761065922 TCL: atom 1: phi = 0.572420481767 TCL: Center of mass = 40.283605752 -0.831808879829 -3.50763771862 TCL: atom 1: phi = 0.572319855568 TCL: Center of mass = 40.2867151421 -0.831940674939 -3.50767358471 TCL: atom 1: phi = 0.572376887673 TCL: Center of mass = 40.2898218112 -0.832071445134 -3.50771153839 TCL: atom 1: phi = 0.572080991076 TCL: Center of mass = 40.29291721 -0.832193803062 -3.50775251786 TCL: atom 1: phi = 0.571873003109 TCL: Center of mass = 40.2960030139 -0.832315504028 -3.50779206137 TCL: atom 1: phi = 0.571348447381 TCL: Center of mass = 40.2990802232 -0.832437678308 -3.5078263829 TCL: atom 1: phi = 0.57097081996 TCL: Center of mass = 40.302157572 -0.832548687544 -3.50786356029 TCL: atom 1: phi = 0.570337818492 TCL: Center of mass = 40.3052326392 -0.832652904468 -3.50789798726 TCL: atom 1: phi = 0.569882053561 TCL: Center of mass = 40.30831272 -0.832748684172 -3.50793739097 TCL: atom 1: phi = 0.56922615026 TCL: Center of mass = 40.3113878694 -0.832849568189 -3.5079883898 TCL: atom 1: phi = 0.568777814803 TCL: Center of mass = 40.3144595503 -0.832943565043 -3.5080343176 TCL: atom 1: phi = 0.568153906089 TCL: Center of mass = 40.3175296895 -0.83303989743 -3.50808372462 TCL: atom 1: phi = 0.567728705311 TCL: Center of mass = 40.3205925446 -0.833140732159 -3.50813548969 TCL: atom 1: phi = 0.567192057958 TCL: Center of mass = 40.3236639873 -0.833233860273 -3.50817637334 TCL: atom 1: phi = 0.566898557741 TCL: Center of mass = 40.3267321942 -0.833312004622 -3.50820860989 TCL: atom 1: phi = 0.566512013304 TCL: Center of mass = 40.3297959148 -0.833394019726 -3.50825441422 TCL: atom 1: phi = 0.566411034965 TCL: Center of mass = 40.332857001 -0.833479402437 -3.50830235926 TCL: atom 1: phi = 0.566317955762 TCL: Center of mass = 40.3359178132 -0.833575146254 -3.50835065532 TCL: atom 1: phi = 0.566512271388 TCL: Center of mass = 40.3389747349 -0.833676568125 -3.50840169923 TCL: atom 1: phi = 0.566614273131 TCL: Center of mass = 40.3420255814 -0.833787796043 -3.50844008344 TCL: atom 1: phi = 0.566994882675 TCL: Center of mass = 40.3450786505 -0.833912158998 -3.50848832197 TCL: atom 1: phi = 0.567250968232 TCL: Center of mass = 40.3481405767 -0.83402960153 -3.50853836756 TCL: atom 1: phi = 0.567696832383 TCL: Center of mass = 40.3511973751 -0.834150784075 -3.50859609214 TCL: atom 1: phi = 0.567930702659 TCL: Center of mass = 40.3542483224 -0.834284422634 -3.50864833978 TCL: atom 1: phi = 0.568373468841 TCL: Center of mass = 40.3572896356 -0.83442540191 -3.50869950758 TCL: atom 1: phi = 0.568690119538 TCL: Center of mass = 40.3603228346 -0.834568094177 -3.50875877729 TCL: atom 1: phi = 0.569199255993 TCL: Center of mass = 40.3633473545 -0.834712834357 -3.5088133077 TCL: atom 1: phi = 0.569552715765 TCL: Center of mass = 40.3663662989 -0.834852817155 -3.50885686689 TCL: atom 1: phi = 0.570089576425 TCL: Center of mass = 40.3693791766 -0.834987297619 -3.50890130434 TCL: atom 1: phi = 0.570443866399 TCL: Center of mass = 40.3723887694 -0.835122556941 -3.50893763999 TCL: atom 1: phi = 0.571014632726 TCL: Center of mass = 40.3754004953 -0.835263263236 -3.5089742815 TCL: atom 1: phi = 0.571462221983 TCL: Center of mass = 40.3784157833 -0.835395315641 -3.50902417314 TCL: atom 1: phi = 0.572206151376 TCL: Center of mass = 40.3814358612 -0.835523861257 -3.50906992552 TCL: atom 1: phi = 0.57276074708 TCL: Center of mass = 40.3844557749 -0.835657121758 -3.50912083026 TCL: atom 1: phi = 0.573608185547 TCL: Center of mass = 40.3874667139 -0.835779159619 -3.50918605087 TCL: atom 1: phi = 0.574219459021 TCL: Center of mass = 40.390475487 -0.835905756767 -3.50926119663 TCL: atom 1: phi = 0.575033925749 TCL: Center of mass = 40.3934869432 -0.836033109485 -3.50933955404 TCL: atom 1: phi = 0.575609781625 TCL: Center of mass = 40.3965061657 -0.836156421382 -3.50941693453 TCL: atom 1: phi = 0.576370523097 TCL: Center of mass = 40.3995223983 -0.836293953525 -3.50948914418 TCL: atom 1: phi = 0.576820795351 TCL: Center of mass = 40.4025324089 -0.836431822969 -3.50956152526 TCL: atom 1: phi = 0.577428879058 TCL: Center of mass = 40.4055464952 -0.836559056493 -3.50964013883 TCL: atom 1: phi = 0.577690705267 TCL: Center of mass = 40.4085503623 -0.836688513616 -3.50971099293 TCL: atom 1: phi = 0.578178768796 TCL: Center of mass = 40.4115623258 -0.836815372246 -3.50978158897 TCL: atom 1: phi = 0.578359625777 TCL: Center of mass = 40.4145800562 -0.836944512025 -3.50985494279 TCL: atom 1: phi = 0.578737321117 TCL: Center of mass = 40.4175959678 -0.837060258563 -3.50994452535 TCL: atom 1: phi = 0.578826585526 TCL: Center of mass = 40.4206162416 -0.837180792581 -3.51003012693 TCL: atom 1: phi = 0.579175959795 TCL: Center of mass = 40.4236365106 -0.83730260409 -3.51012176 TCL: atom 1: phi = 0.579255012877 TCL: Center of mass = 40.4266667315 -0.837418640707 -3.51021396585 TCL: atom 1: phi = 0.579634838469 TCL: Center of mass = 40.4296950097 -0.837538080626 -3.51030859246 TCL: atom 1: phi = 0.579829183489 TCL: Center of mass = 40.4327342 -0.837671464945 -3.51040453465 TCL: atom 1: phi = 0.580369247501 TCL: Center of mass = 40.4357783614 -0.837817533686 -3.51049376928 TCL: atom 1: phi = 0.580764187881 TCL: Center of mass = 40.4388214401 -0.83796054146 -3.51057789446 TCL: atom 1: phi = 0.581537134908 TCL: Center of mass = 40.4418627169 -0.838111159668 -3.51066623508 TCL: atom 1: phi = 0.582168319758 TCL: Center of mass = 40.4449095109 -0.838259746423 -3.51076827854 TCL: atom 1: phi = 0.583159720686 TCL: Center of mass = 40.4479683387 -0.838405478872 -3.51087668406 TCL: atom 1: phi = 0.583998548952 TCL: Center of mass = 40.4510350937 -0.838565573063 -3.51097027604 TCL: atom 1: phi = 0.585202096658 TCL: Center of mass = 40.4540919767 -0.83873506244 -3.51106153147 TCL: atom 1: phi = 0.586203677354 TCL: Center of mass = 40.4571420271 -0.838907920068 -3.51116327412 TCL: atom 1: phi = 0.587593802383 TCL: Center of mass = 40.4601900218 -0.839086125131 -3.51126251094 TCL: atom 1: phi = 0.588736249296 TCL: Center of mass = 40.4632429707 -0.839262944805 -3.51134993713 TCL: atom 1: phi = 0.590225484369 TCL: Center of mass = 40.4662979006 -0.839439884118 -3.51143290734 TCL: atom 1: phi = 0.591294036621 TCL: Center of mass = 40.4693641517 -0.839614852243 -3.51150370373 TCL: atom 1: phi = 0.592566083859 TCL: Center of mass = 40.4724363267 -0.839798238298 -3.51157407941 TCL: atom 1: phi = 0.593311870454 TCL: Center of mass = 40.475503252 -0.839993083293 -3.51163775166 TCL: atom 1: phi = 0.594264822313 TCL: Center of mass = 40.4785733137 -0.840183746952 -3.51169504331 TCL: atom 1: phi = 0.594583932738 TCL: Center of mass = 40.4816328205 -0.840380592117 -3.51176692497 TCL: atom 1: phi = 0.595088728275 TCL: Center of mass = 40.4846890847 -0.840567875798 -3.5118388351 TCL: atom 1: phi = 0.594961255636 TCL: Center of mass = 40.4877505605 -0.840756228917 -3.51190714939 TCL: atom 1: phi = 0.594978699779 TCL: Center of mass = 40.4908040536 -0.840940080355 -3.51196140654 TCL: atom 1: phi = 0.594411015719 TCL: Center of mass = 40.4938598146 -0.841132674383 -3.51201716305 TCL: atom 1: phi = 0.594018307467 TCL: Center of mass = 40.4969260467 -0.841326935486 -3.51207199301 TCL: atom 1: phi = 0.593218725706 TCL: Center of mass = 40.500000968 -0.841507066906 -3.51212465475 TCL: atom 1: phi = 0.59273700966 TCL: Center of mass = 40.5030686592 -0.841687053443 -3.51218772443 TCL: atom 1: phi = 0.591979881541 TCL: Center of mass = 40.5061395256 -0.841867735739 -3.51225212762 TCL: atom 1: phi = 0.591524850685 TCL: Center of mass = 40.5092173928 -0.842040567461 -3.51231263041 TCL: atom 1: phi = 0.59085272285 TCL: Center of mass = 40.5123062255 -0.842212853434 -3.51238307251 TCL: atom 1: phi = 0.590487929939 TCL: Center of mass = 40.5153999462 -0.842386019343 -3.51245743648 TCL: atom 1: phi = 0.590017305372 TCL: Center of mass = 40.5184995109 -0.842552764415 -3.51251477432 TCL: atom 1: phi = 0.589944711488 TCL: Center of mass = 40.5215979025 -0.842710534528 -3.51257307202 TCL: atom 1: phi = 0.589773531925 TCL: Center of mass = 40.5247000635 -0.842869914664 -3.51263577331 TCL: atom 1: phi = 0.589965434734 TCL: Center of mass = 40.5278111599 -0.843023186213 -3.51269938791 TCL: atom 1: phi = 0.590122786173 TCL: Center of mass = 40.5309254895 -0.843177812352 -3.5127524556 TCL: atom 1: phi = 0.590613758468 TIMING: 14000 CPU: 2401.01, 0.173334/step Wall: 2934.97, 0.210782/step, 0.351303 hours remaining, 22051 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 14000 429.2690 670.8130 406.2616 39.3600 -2771.1263 -220.8710 0.0000 0.0000 1138.8231 -307.4704 310.3612 -298.2355 -300.7090 311.1023 1224.9097 899.4327 64000.0000 884.3029 884.5377 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14000 WRITING COORDINATES TO DCD FILE AT STEP 14000 WRITING COORDINATES TO RESTART FILE AT STEP 14000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 40.5340328345 -0.843329254271 -3.51280696852 TCL: atom 1: phi = 0.590985341671 TCL: Center of mass = 40.5371416247 -0.843484539587 -3.51285396662 TCL: atom 1: phi = 0.591536222118 TCL: Center of mass = 40.5402565049 -0.843639804376 -3.51290667252 TCL: atom 1: phi = 0.591873690784 TCL: Center of mass = 40.5433683363 -0.843797188078 -3.51296059805 TCL: atom 1: phi = 0.592385450618 TCL: Center of mass = 40.5464726997 -0.843950486121 -3.51300128165 TCL: atom 1: phi = 0.592736057367 TCL: Center of mass = 40.5495712025 -0.844101827724 -3.51304174335 TCL: atom 1: phi = 0.593310524337 TCL: Center of mass = 40.5526624323 -0.844251801847 -3.51307538053 TCL: atom 1: phi = 0.593653246321 TCL: Center of mass = 40.5557610641 -0.844409806313 -3.51311232481 TCL: atom 1: phi = 0.594236743289 TCL: Center of mass = 40.5588609005 -0.844554557137 -3.51315492273 TCL: atom 1: phi = 0.594706179062 TCL: Center of mass = 40.5619597379 -0.844694552671 -3.51319318077 TCL: atom 1: phi = 0.59542291994 TCL: Center of mass = 40.5650496615 -0.844827776652 -3.51323624462 TCL: atom 1: phi = 0.595984189479 TCL: Center of mass = 40.5681341687 -0.844960048513 -3.51326614127 TCL: atom 1: phi = 0.596725560282 TCL: Center of mass = 40.5712123352 -0.845088389431 -3.51330734469 TCL: atom 1: phi = 0.597299474892 TCL: Center of mass = 40.5742899643 -0.845216518273 -3.51336055839 TCL: atom 1: phi = 0.598045977315 TCL: Center of mass = 40.577373817 -0.845344934975 -3.51342118442 TCL: atom 1: phi = 0.598539693821 TCL: Center of mass = 40.5804741094 -0.845472434274 -3.51348036694 TCL: atom 1: phi = 0.599156813223 TCL: Center of mass = 40.5835820579 -0.845600919774 -3.51353671658 TCL: atom 1: phi = 0.599512536155 TCL: Center of mass = 40.5866945598 -0.845722409203 -3.5135806367 TCL: atom 1: phi = 0.600072300744 TCL: Center of mass = 40.5898154531 -0.845844987654 -3.51362925418 TCL: atom 1: phi = 0.600405701282 TCL: Center of mass = 40.5929340323 -0.845973659847 -3.51368139414 TCL: atom 1: phi = 0.60090005731 TCL: Center of mass = 40.5960521918 -0.846100119825 -3.51373003418 TCL: atom 1: phi = 0.601203714008 TCL: Center of mass = 40.5991768169 -0.846220685104 -3.51379273716 TCL: atom 1: phi = 0.601626096223 TCL: Center of mass = 40.6023012831 -0.846344996087 -3.51385212615 TCL: atom 1: phi = 0.601788730598 TCL: Center of mass = 40.6054236774 -0.846463047871 -3.5139106024 TCL: atom 1: phi = 0.60202895633 TCL: Center of mass = 40.6085598487 -0.846574594666 -3.51397343026 TCL: atom 1: phi = 0.601953839408 TCL: Center of mass = 40.611698035 -0.846687213126 -3.51403525397 TCL: atom 1: phi = 0.601949439761 TCL: Center of mass = 40.6148490483 -0.846805598262 -3.5140994515 TCL: atom 1: phi = 0.601731437583 TCL: Center of mass = 40.6180133991 -0.846927509055 -3.51416653616 TCL: atom 1: phi = 0.601638717819 TCL: Center of mass = 40.6211767271 -0.84705034187 -3.51423300057 TCL: atom 1: phi = 0.601406183419 TCL: Center of mass = 40.6243275765 -0.847173416976 -3.51429735814 TCL: atom 1: phi = 0.601370556683 TCL: Center of mass = 40.6274763981 -0.847293615879 -3.51436204659 TCL: atom 1: phi = 0.601276760318 TCL: Center of mass = 40.6306276662 -0.847416086259 -3.51443057688 TCL: atom 1: phi = 0.601400030682 TCL: Center of mass = 40.6337771972 -0.84754692514 -3.5145005966 TCL: atom 1: phi = 0.601354022589 TCL: Center of mass = 40.6369250003 -0.847680683362 -3.51457484083 TCL: atom 1: phi = 0.601479124478 TCL: Center of mass = 40.6400668768 -0.847819706479 -3.51464226514 TCL: atom 1: phi = 0.601413266508 TCL: Center of mass = 40.6432006746 -0.84797087029 -3.51470871819 TCL: atom 1: phi = 0.601551120059 TCL: Center of mass = 40.6463296594 -0.848118230404 -3.51475964725 TCL: atom 1: phi = 0.601600318398 TCL: Center of mass = 40.6494505949 -0.84825547399 -3.51481349788 TCL: atom 1: phi = 0.601874242242 TCL: Center of mass = 40.6525682861 -0.848393230754 -3.51486720981 TCL: atom 1: phi = 0.602080515115 TCL: Center of mass = 40.6556813459 -0.84852993902 -3.5149196294 TCL: atom 1: phi = 0.602476737165 TCL: Center of mass = 40.6587968092 -0.848666786918 -3.51496269661 TCL: atom 1: phi = 0.60278523848 TCL: Center of mass = 40.6619208318 -0.848803694321 -3.514991175 TCL: atom 1: phi = 0.603288378798 TCL: Center of mass = 40.6650509833 -0.848944116741 -3.51502499301 TCL: atom 1: phi = 0.603695519492 TCL: Center of mass = 40.6681693779 -0.849103898412 -3.51505895009 TCL: atom 1: phi = 0.604196402331 TCL: Center of mass = 40.6712865729 -0.849260629473 -3.51508546445 TCL: atom 1: phi = 0.604495754664 TCL: Center of mass = 40.6744272853 -0.84942816735 -3.51510244227 TCL: atom 1: phi = 0.604861029832 TCL: Center of mass = 40.6775665636 -0.849601003276 -3.51511940762 TCL: atom 1: phi = 0.60508151472 TCL: Center of mass = 40.6807001458 -0.849784250195 -3.51514215902 TCL: atom 1: phi = 0.605444416344 TCL: Center of mass = 40.6838261576 -0.84996937326 -3.51517534897 TCL: atom 1: phi = 0.605812014488 TCL: Center of mass = 40.686942181 -0.850150093964 -3.51520537642 TCL: atom 1: phi = 0.606402554504 TCL: Center of mass = 40.6900522273 -0.850335047658 -3.51524537013 TCL: atom 1: phi = 0.607020244171 TCL: Center of mass = 40.6931628092 -0.850512702312 -3.51530181216 TCL: atom 1: phi = 0.607920348758 TCL: Center of mass = 40.6962879103 -0.850690639247 -3.51536939289 TCL: atom 1: phi = 0.60877924627 TCL: Center of mass = 40.699414645 -0.850862074277 -3.5154428173 TCL: atom 1: phi = 0.609714782026 TCL: Center of mass = 40.7025435574 -0.851035985982 -3.51551170243 TCL: atom 1: phi = 0.610483495525 TCL: Center of mass = 40.7056772798 -0.85121269678 -3.51556183566 TCL: atom 1: phi = 0.61133822268 TCL: Center of mass = 40.7088174536 -0.851389554237 -3.51561365795 TCL: atom 1: phi = 0.612012250913 TCL: Center of mass = 40.7119702083 -0.851566695133 -3.51565779651 TCL: atom 1: phi = 0.612751252689 TCL: Center of mass = 40.7151226053 -0.851737298304 -3.51570185126 TCL: atom 1: phi = 0.61332591718 TCL: Center of mass = 40.7182879807 -0.851914740575 -3.51574384228 TCL: atom 1: phi = 0.614040893024 TCL: Center of mass = 40.7214502591 -0.852090869856 -3.51579969205 TCL: atom 1: phi = 0.614609148689 TCL: Center of mass = 40.7246152587 -0.852263932949 -3.51586473839 TCL: atom 1: phi = 0.615313349618 TCL: Center of mass = 40.7277827297 -0.852425173897 -3.51593426326 TCL: atom 1: phi = 0.615875879549 TCL: Center of mass = 40.7309511931 -0.852591347988 -3.51600996419 TCL: atom 1: phi = 0.616513904054 TCL: Center of mass = 40.7341239812 -0.852757125031 -3.51608900327 TCL: atom 1: phi = 0.616887893133 TCL: Center of mass = 40.7372811294 -0.852930432115 -3.51617195016 TCL: atom 1: phi = 0.617333159361 TCL: Center of mass = 40.7404411193 -0.853093652779 -3.51625627935 TCL: atom 1: phi = 0.617530026825 TCL: Center of mass = 40.7435881915 -0.853268198325 -3.51633069529 TCL: atom 1: phi = 0.617890595551 TCL: Center of mass = 40.7467415161 -0.853444296207 -3.51640169739 TCL: atom 1: phi = 0.618169762727 TCL: Center of mass = 40.7499126221 -0.85363041343 -3.51647087739 TCL: atom 1: phi = 0.618750964996 TCL: Center of mass = 40.7530782871 -0.85380705037 -3.51653860308 TCL: atom 1: phi = 0.619287951994 TCL: Center of mass = 40.7562408994 -0.853983657937 -3.51661987675 TCL: atom 1: phi = 0.62007682612 TCL: Center of mass = 40.7594078018 -0.854165953704 -3.51669138778 TCL: atom 1: phi = 0.620762081773 TCL: Center of mass = 40.7625721367 -0.854360759469 -3.51677445864 TCL: atom 1: phi = 0.621610860368 TCL: Center of mass = 40.7657515128 -0.854562178761 -3.51686209385 TCL: atom 1: phi = 0.622213711488 TCL: Center of mass = 40.768939081 -0.854762400219 -3.51694322253 TCL: atom 1: phi = 0.62294865662 TCL: Center of mass = 40.772137826 -0.854971188516 -3.51703249079 TCL: atom 1: phi = 0.623339422384 TCL: Center of mass = 40.7753370061 -0.855181623386 -3.5171196156 TCL: atom 1: phi = 0.623871655002 TCL: Center of mass = 40.7785414735 -0.855385893759 -3.51720443197 TCL: atom 1: phi = 0.624165642032 TCL: Center of mass = 40.7817573015 -0.855587061304 -3.51729149303 TCL: atom 1: phi = 0.624699801859 TCL: Center of mass = 40.7849608124 -0.855800947831 -3.51738484275 TCL: atom 1: phi = 0.624943286994 TCL: Center of mass = 40.7881591274 -0.856013804513 -3.51748428725 TCL: atom 1: phi = 0.625351529881 TCL: Center of mass = 40.7913602479 -0.856232868779 -3.51758014832 TCL: atom 1: phi = 0.625397245618 TCL: Center of mass = 40.79456964 -0.856469160204 -3.51767245486 TCL: atom 1: phi = 0.625534248206 TCL: Center of mass = 40.7977752917 -0.856711188026 -3.51774836655 TCL: atom 1: phi = 0.625252582467 TCL: Center of mass = 40.8009644109 -0.856955552288 -3.51783339903 TCL: atom 1: phi = 0.625028121795 TCL: Center of mass = 40.8041484909 -0.857198926071 -3.51792161641 TCL: atom 1: phi = 0.624385881692 TCL: Center of mass = 40.8073377283 -0.857443029462 -3.51801984548 TCL: atom 1: phi = 0.623961453723 TCL: Center of mass = 40.8105261797 -0.857687029878 -3.5181246154 TCL: atom 1: phi = 0.623291051427 TCL: Center of mass = 40.8137123046 -0.857927992417 -3.51823075717 TCL: atom 1: phi = 0.622956982566 TCL: Center of mass = 40.8169075105 -0.858169042074 -3.51833327721 TCL: atom 1: phi = 0.622512252757 TCL: Center of mass = 40.8201105554 -0.85842462924 -3.51843624314 TCL: atom 1: phi = 0.622494343507 TCL: Center of mass = 40.8233228349 -0.85868548109 -3.51853427039 TCL: atom 1: phi = 0.622333106455 TCL: Center of mass = 40.8265329225 -0.858954448025 -3.51861971243 TCL: atom 1: phi = 0.62249419999 TCL: Center of mass = 40.8297378425 -0.85921598103 -3.5187132525 TCL: atom 1: phi = 0.622375609781 TCL: Center of mass = 40.8329446845 -0.859474991482 -3.51879730363 TCL: atom 1: phi = 0.62242627121 TCL: Center of mass = 40.8361551046 -0.859734418812 -3.51887693887 TCL: atom 1: phi = 0.622110454132 TCL: Center of mass = 40.8393610633 -0.86000404614 -3.51896095972 TCL: atom 1: phi = 0.621937643757 TCL: Center of mass = 40.8425654875 -0.860262792964 -3.51905396497 TCL: atom 1: phi = 0.621447586201 TCL: Center of mass = 40.8457648343 -0.86052239687 -3.51913953504 TCL: atom 1: phi = 0.62120722625 TIMING: 14100 CPU: 2418.23, 0.172204/step Wall: 2956.06, 0.210944/step, 0.345713 hours remaining, 22051 kB of memory in use. ENERGY: 14100 401.5346 707.8391 402.0802 45.7748 -2776.1386 -210.1954 0.0000 0.0000 1133.6803 -295.4250 308.9596 -286.8266 -286.9588 316.0852 451.6675 596.1380 64000.0000 883.8431 885.3136 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14100 WRITING COORDINATES TO DCD FILE AT STEP 14100 WRITING COORDINATES TO RESTART FILE AT STEP 14100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 40.8489704888 -0.860783276798 -3.51921915131 TCL: atom 1: phi = 0.620775195376 TCL: Center of mass = 40.8521678206 -0.861051235329 -3.51930148363 TCL: atom 1: phi = 0.620649162818 TCL: Center of mass = 40.855357142 -0.861319078287 -3.5193815696 TCL: atom 1: phi = 0.620263152734 TCL: Center of mass = 40.8585456085 -0.861584993448 -3.51945741523 TCL: atom 1: phi = 0.620061797918 TCL: Center of mass = 40.8617388933 -0.861846955091 -3.51953629621 TCL: atom 1: phi = 0.6195361018 TCL: Center of mass = 40.8649361842 -0.862110296292 -3.51961602786 TCL: atom 1: phi = 0.61919841271 TCL: Center of mass = 40.8681374933 -0.862372101144 -3.51969457446 TCL: atom 1: phi = 0.618534189555 TCL: Center of mass = 40.8713355492 -0.862628042294 -3.5197716196 TCL: atom 1: phi = 0.618101263819 TCL: Center of mass = 40.8745279158 -0.862883399808 -3.5198512941 TCL: atom 1: phi = 0.617524592565 TCL: Center of mass = 40.8777151926 -0.863127394052 -3.51993382428 TCL: atom 1: phi = 0.61732452822 TCL: Center of mass = 40.8809154332 -0.863376931154 -3.5200086218 TCL: atom 1: phi = 0.617106174167 TCL: Center of mass = 40.8841156232 -0.863610035852 -3.52009102811 TCL: atom 1: phi = 0.617294420614 TCL: Center of mass = 40.887320755 -0.863853216071 -3.52018163339 TCL: atom 1: phi = 0.617462187309 TCL: Center of mass = 40.8905272283 -0.864097712257 -3.52026626502 TCL: atom 1: phi = 0.618023863379 TCL: Center of mass = 40.8937388021 -0.864338251424 -3.52035001855 TCL: atom 1: phi = 0.61834227917 TCL: Center of mass = 40.896947593 -0.864583190014 -3.52042940776 TCL: atom 1: phi = 0.618914131663 TCL: Center of mass = 40.90017204 -0.864831011216 -3.52050861927 TCL: atom 1: phi = 0.619161758939 TCL: Center of mass = 40.9034107344 -0.865074980179 -3.52058131106 TCL: atom 1: phi = 0.619694627762 TCL: Center of mass = 40.9066468597 -0.86532438552 -3.52065077962 TCL: atom 1: phi = 0.619940609971 TCL: Center of mass = 40.9098854789 -0.865580789132 -3.52073291597 TCL: atom 1: phi = 0.6204329267 TCL: Center of mass = 40.9131356016 -0.865834635448 -3.52082508358 TCL: atom 1: phi = 0.620613095916 TCL: Center of mass = 40.9163993303 -0.866087108646 -3.52091062534 TCL: atom 1: phi = 0.621128744106 TCL: Center of mass = 40.9196592659 -0.866338786853 -3.52099516607 TCL: atom 1: phi = 0.621268383449 TCL: Center of mass = 40.9229196169 -0.866603839125 -3.52107941826 TCL: atom 1: phi = 0.621685073241 TCL: Center of mass = 40.926176298 -0.8668727802 -3.52116550052 TCL: atom 1: phi = 0.621662368773 TCL: Center of mass = 40.9294228466 -0.867133770779 -3.52125853788 TCL: atom 1: phi = 0.621910815521 TCL: Center of mass = 40.9326722433 -0.867391318009 -3.52136352789 TCL: atom 1: phi = 0.621701394519 TCL: Center of mass = 40.9359129446 -0.867646478336 -3.52147684714 TCL: atom 1: phi = 0.621719440095 TCL: Center of mass = 40.9391509034 -0.867902267459 -3.52159445745 TCL: atom 1: phi = 0.621399788499 TCL: Center of mass = 40.9423865934 -0.868152027729 -3.52171458389 TCL: atom 1: phi = 0.621455719694 TCL: Center of mass = 40.94563662 -0.868395174686 -3.52182788825 TCL: atom 1: phi = 0.621313221974 TCL: Center of mass = 40.9488777827 -0.868630893237 -3.52195003465 TCL: atom 1: phi = 0.621597393786 TCL: Center of mass = 40.9521201309 -0.868871552458 -3.52207412564 TCL: atom 1: phi = 0.621637174828 TCL: Center of mass = 40.9553580203 -0.869116815159 -3.52218926026 TCL: atom 1: phi = 0.622020168997 TCL: Center of mass = 40.9585978303 -0.869370173515 -3.52230403917 TCL: atom 1: phi = 0.622116505773 TCL: Center of mass = 40.9618435571 -0.86962227454 -3.52240770233 TCL: atom 1: phi = 0.622408900996 TCL: Center of mass = 40.9650918062 -0.86988798455 -3.52252238698 TCL: atom 1: phi = 0.622273952507 TCL: Center of mass = 40.9683465341 -0.870155835378 -3.52262744273 TCL: atom 1: phi = 0.622199668372 TCL: Center of mass = 40.9715968095 -0.870426612969 -3.52273755438 TCL: atom 1: phi = 0.621653884206 TCL: Center of mass = 40.9748453288 -0.870680195725 -3.52284501232 TCL: atom 1: phi = 0.62124477409 TCL: Center of mass = 40.9780880093 -0.87094271819 -3.52295808881 TCL: atom 1: phi = 0.620453442262 TCL: Center of mass = 40.9813258491 -0.871202835796 -3.52307188312 TCL: atom 1: phi = 0.619838152864 TCL: Center of mass = 40.9845602301 -0.871470439354 -3.52318188597 TCL: atom 1: phi = 0.618936942664 TCL: Center of mass = 40.9877797071 -0.871737344874 -3.52328141447 TCL: atom 1: phi = 0.618265605514 TCL: Center of mass = 40.990999151 -0.872007449485 -3.52338236303 TCL: atom 1: phi = 0.617307098601 TCL: Center of mass = 40.9942324585 -0.872273563695 -3.52349392787 TCL: atom 1: phi = 0.616478265209 TCL: Center of mass = 40.9974653606 -0.872547487019 -3.52360880715 TCL: atom 1: phi = 0.615373160788 TCL: Center of mass = 41.0007062557 -0.872830378642 -3.52372088027 TCL: atom 1: phi = 0.614416135319 TCL: Center of mass = 41.003944083 -0.873104441919 -3.52382469029 TCL: atom 1: phi = 0.613229362102 TCL: Center of mass = 41.0071829353 -0.873373315237 -3.52392398099 TCL: atom 1: phi = 0.612260611793 TCL: Center of mass = 41.0104182065 -0.873650745349 -3.52403287011 TCL: atom 1: phi = 0.611199572929 TCL: Center of mass = 41.0136374459 -0.873923945402 -3.5241350693 TCL: atom 1: phi = 0.610480233884 TCL: Center of mass = 41.0168517196 -0.874199318074 -3.52423047363 TCL: atom 1: phi = 0.609709844476 TCL: Center of mass = 41.0200614492 -0.874476782084 -3.52432806148 TCL: atom 1: phi = 0.609260028477 TCL: Center of mass = 41.0232818629 -0.87474686771 -3.52443876993 TCL: atom 1: phi = 0.608733179731 TCL: Center of mass = 41.0265023189 -0.875003966217 -3.52454715882 TCL: atom 1: phi = 0.608376858807 TCL: Center of mass = 41.0297260477 -0.875264961797 -3.52467156664 TCL: atom 1: phi = 0.607863248733 TCL: Center of mass = 41.0329502034 -0.875517522981 -3.52480246579 TCL: atom 1: phi = 0.607485092953 TCL: Center of mass = 41.0361657321 -0.875769243552 -3.52494163701 TCL: atom 1: phi = 0.606954082503 TCL: Center of mass = 41.0393788955 -0.876013319007 -3.52507347384 TCL: atom 1: phi = 0.606582973065 TCL: Center of mass = 41.0425909059 -0.876267973315 -3.52522105082 TCL: atom 1: phi = 0.606037665789 TCL: Center of mass = 41.0458209126 -0.876529703726 -3.52537349862 TCL: atom 1: phi = 0.605727364492 TCL: Center of mass = 41.0490475414 -0.876790405342 -3.52552423512 TCL: atom 1: phi = 0.605328026086 TCL: Center of mass = 41.0522772213 -0.877050434724 -3.52567942938 TCL: atom 1: phi = 0.605127023072 TCL: Center of mass = 41.0555090824 -0.877299544873 -3.52582806827 TCL: atom 1: phi = 0.604858634166 TCL: Center of mass = 41.0587416791 -0.877550741121 -3.52597078277 TCL: atom 1: phi = 0.60479701653 TCL: Center of mass = 41.0619722184 -0.877795272799 -3.52611167841 TCL: atom 1: phi = 0.604600344282 TCL: Center of mass = 41.0651909807 -0.87804941801 -3.5262475532 TCL: atom 1: phi = 0.604616537829 TCL: Center of mass = 41.068409507 -0.878282577261 -3.52638648837 TCL: atom 1: phi = 0.604521774971 TCL: Center of mass = 41.0716219098 -0.878516654682 -3.5265474437 TCL: atom 1: phi = 0.604700294859 TCL: Center of mass = 41.0748324414 -0.8787470105 -3.52670394123 TCL: atom 1: phi = 0.604862963421 TCL: Center of mass = 41.0780344219 -0.878979138707 -3.52686136205 TCL: atom 1: phi = 0.605339148693 TCL: Center of mass = 41.0812400032 -0.879210902603 -3.52701680818 TCL: atom 1: phi = 0.605819113367 TCL: Center of mass = 41.0844360231 -0.879437350974 -3.52717090549 TCL: atom 1: phi = 0.606700213774 TCL: Center of mass = 41.0876285021 -0.879664888884 -3.52733078757 TCL: atom 1: phi = 0.607476627898 TCL: Center of mass = 41.0908252598 -0.879892209975 -3.52748538898 TCL: atom 1: phi = 0.608443633285 TCL: Center of mass = 41.094020656 -0.880120367101 -3.52763398766 TCL: atom 1: phi = 0.609154296389 TCL: Center of mass = 41.097211269 -0.880344842413 -3.52778004198 TCL: atom 1: phi = 0.609924051241 TCL: Center of mass = 41.1004025776 -0.880575293056 -3.52791891594 TCL: atom 1: phi = 0.610387613043 TCL: Center of mass = 41.1035971966 -0.880804565466 -3.52806364705 TCL: atom 1: phi = 0.61091180048 TCL: Center of mass = 41.1067942999 -0.881026987311 -3.52821450213 TCL: atom 1: phi = 0.61113002225 TCL: Center of mass = 41.1100001054 -0.881265658423 -3.52836709846 TCL: atom 1: phi = 0.611415285271 TCL: Center of mass = 41.1132067454 -0.881496979768 -3.52851242518 TCL: atom 1: phi = 0.611400017752 TCL: Center of mass = 41.1164109061 -0.881728566784 -3.52865427707 TCL: atom 1: phi = 0.611481128297 TCL: Center of mass = 41.1196124417 -0.881955711948 -3.52879702615 TCL: atom 1: phi = 0.611226063775 TCL: Center of mass = 41.1228193393 -0.882181328287 -3.52894003876 TCL: atom 1: phi = 0.611059176927 TCL: Center of mass = 41.1260298312 -0.882401110193 -3.52907153548 TCL: atom 1: phi = 0.610592509497 TCL: Center of mass = 41.1292464019 -0.882616250138 -3.52920671094 TCL: atom 1: phi = 0.610341505241 TCL: Center of mass = 41.1324673912 -0.88282334399 -3.52935484485 TCL: atom 1: phi = 0.609839425724 TCL: Center of mass = 41.1356868914 -0.883038040963 -3.52950896215 TCL: atom 1: phi = 0.609617797511 TCL: Center of mass = 41.138903382 -0.883260561263 -3.52964896461 TCL: atom 1: phi = 0.609341212838 TCL: Center of mass = 41.1421257905 -0.88348380833 -3.52979395437 TCL: atom 1: phi = 0.609474635104 TCL: Center of mass = 41.1453470572 -0.883705450526 -3.52993129513 TCL: atom 1: phi = 0.609565276438 TCL: Center of mass = 41.1485816628 -0.883930140422 -3.53007425209 TCL: atom 1: phi = 0.610011246428 TCL: Center of mass = 41.1518111922 -0.88415479593 -3.53022367424 TCL: atom 1: phi = 0.610382538462 TCL: Center of mass = 41.1550385152 -0.884381762506 -3.53036535739 TCL: atom 1: phi = 0.611057569095 TCL: Center of mass = 41.1582641434 -0.884605230242 -3.53050896026 TCL: atom 1: phi = 0.61155630769 TCL: Center of mass = 41.1614809961 -0.884826980602 -3.53065617333 TCL: atom 1: phi = 0.612255131776 TCL: Center of mass = 41.1647007788 -0.885048314467 -3.53080821738 TCL: atom 1: phi = 0.612707644391 TCL: Center of mass = 41.1679186542 -0.885289191376 -3.53096006978 TCL: atom 1: phi = 0.613341102495 TIMING: 14200 CPU: 2435.47, 0.172344/step Wall: 2977.18, 0.21115/step, 0.340186 hours remaining, 22051 kB of memory in use. ENERGY: 14200 383.5979 711.3008 420.4961 37.2825 -2775.9361 -206.8401 0.0000 0.0000 1125.3826 -304.7163 306.6982 -296.4834 -295.6462 313.1019 890.4318 862.9260 64000.0000 926.9340 927.7203 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14200 WRITING COORDINATES TO DCD FILE AT STEP 14200 WRITING COORDINATES TO RESTART FILE AT STEP 14200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 41.1711424864 -0.885521770426 -3.53112035606 TCL: atom 1: phi = 0.613709138307 TCL: Center of mass = 41.1743539534 -0.885755454778 -3.53128106003 TCL: atom 1: phi = 0.614282372916 TCL: Center of mass = 41.177566513 -0.885971618434 -3.53143256297 TCL: atom 1: phi = 0.614611563927 TCL: Center of mass = 41.1807712628 -0.886187589852 -3.53158406954 TCL: atom 1: phi = 0.615111535326 TCL: Center of mass = 41.1839809304 -0.886403447309 -3.53174356586 TCL: atom 1: phi = 0.615358004501 TCL: Center of mass = 41.1871874383 -0.886621052998 -3.53190725569 TCL: atom 1: phi = 0.615757529298 TCL: Center of mass = 41.1903904582 -0.886826598512 -3.5320759541 TCL: atom 1: phi = 0.615888100345 TCL: Center of mass = 41.1935922002 -0.88703709852 -3.53224485598 TCL: atom 1: phi = 0.616176869989 TCL: Center of mass = 41.1967858218 -0.887254249341 -3.53241944536 TCL: atom 1: phi = 0.616243448753 TCL: Center of mass = 41.1999786069 -0.887471339136 -3.53259714083 TCL: atom 1: phi = 0.616551697127 TCL: Center of mass = 41.203180705 -0.88769429312 -3.53277106069 TCL: atom 1: phi = 0.616667621951 TCL: Center of mass = 41.2063828252 -0.887912777874 -3.53294157622 TCL: atom 1: phi = 0.617114075585 TCL: Center of mass = 41.2095792577 -0.888138591775 -3.53310588786 TCL: atom 1: phi = 0.617357785531 TCL: Center of mass = 41.212784816 -0.888352525936 -3.53327501208 TCL: atom 1: phi = 0.617909005696 TCL: Center of mass = 41.2159962752 -0.888559294918 -3.53344927322 TCL: atom 1: phi = 0.618160899543 TCL: Center of mass = 41.219218053 -0.888755497332 -3.53362448147 TCL: atom 1: phi = 0.618566986188 TCL: Center of mass = 41.2224387654 -0.888961820525 -3.53380907893 TCL: atom 1: phi = 0.618658124494 TCL: Center of mass = 41.2256605961 -0.889166228812 -3.53398062987 TCL: atom 1: phi = 0.618866318975 TCL: Center of mass = 41.2288755065 -0.889371240625 -3.53415792695 TCL: atom 1: phi = 0.618730461426 TCL: Center of mass = 41.2320982108 -0.88957743761 -3.53434623047 TCL: atom 1: phi = 0.618840134456 TCL: Center of mass = 41.2353073038 -0.889794759763 -3.53452193732 TCL: atom 1: phi = 0.618615286805 TCL: Center of mass = 41.2385096097 -0.890010978943 -3.53469604127 TCL: atom 1: phi = 0.618671641548 TCL: Center of mass = 41.2417047504 -0.89022170426 -3.53487260944 TCL: atom 1: phi = 0.618361894474 TCL: Center of mass = 41.2449016392 -0.890423377623 -3.53504785755 TCL: atom 1: phi = 0.618321054932 TCL: Center of mass = 41.2480983496 -0.890626015606 -3.5352317627 TCL: atom 1: phi = 0.617924244073 TCL: Center of mass = 41.2512974296 -0.890838558211 -3.53541218944 TCL: atom 1: phi = 0.61780487306 TCL: Center of mass = 41.2544771252 -0.891044320038 -3.53558782775 TCL: atom 1: phi = 0.617337925426 TCL: Center of mass = 41.2576525528 -0.89125386161 -3.53576780698 TCL: atom 1: phi = 0.617206938007 TCL: Center of mass = 41.2608120172 -0.891484668729 -3.53594363658 TCL: atom 1: phi = 0.616758328749 TCL: Center of mass = 41.2639776185 -0.891713191373 -3.53610011319 TCL: atom 1: phi = 0.616721227134 TCL: Center of mass = 41.2671407679 -0.891936114959 -3.53625910299 TCL: atom 1: phi = 0.61648578833 TCL: Center of mass = 41.2703045245 -0.89215512888 -3.53641360754 TCL: atom 1: phi = 0.61667373492 TCL: Center of mass = 41.2734663074 -0.892366178313 -3.53655993575 TCL: atom 1: phi = 0.616668101482 TCL: Center of mass = 41.2766325551 -0.892569927691 -3.53670529151 TCL: atom 1: phi = 0.616986844167 TCL: Center of mass = 41.2798044335 -0.892785715808 -3.53683821171 TCL: atom 1: phi = 0.616990424245 TCL: Center of mass = 41.2829749007 -0.892999519597 -3.5369728682 TCL: atom 1: phi = 0.617192701432 TCL: Center of mass = 41.2861466574 -0.893223103296 -3.53711426884 TCL: atom 1: phi = 0.616953973573 TCL: Center of mass = 41.289327469 -0.893433794948 -3.53725410614 TCL: atom 1: phi = 0.616848039282 TCL: Center of mass = 41.2925122752 -0.893648445952 -3.5373814709 TCL: atom 1: phi = 0.616263197888 TCL: Center of mass = 41.2957052565 -0.893861234695 -3.5375070599 TCL: atom 1: phi = 0.615847113464 TCL: Center of mass = 41.2989016009 -0.894072552804 -3.53763613743 TCL: atom 1: phi = 0.615110828423 TCL: Center of mass = 41.3020916565 -0.894271303592 -3.53776868858 TCL: atom 1: phi = 0.614574620511 TCL: Center of mass = 41.3052837731 -0.894465989813 -3.53790027547 TCL: atom 1: phi = 0.613798827535 TCL: Center of mass = 41.308475162 -0.894667239673 -3.53802741444 TCL: atom 1: phi = 0.613270398441 TCL: Center of mass = 41.3116539193 -0.894877213376 -3.53813900256 TCL: atom 1: phi = 0.612556846552 TCL: Center of mass = 41.3148320613 -0.895096170995 -3.53824626958 TCL: atom 1: phi = 0.612071372172 TCL: Center of mass = 41.3179938634 -0.895305162847 -3.53835129734 TCL: atom 1: phi = 0.611410137519 TCL: Center of mass = 41.3211583725 -0.895517152156 -3.53845985203 TCL: atom 1: phi = 0.611060486539 TCL: Center of mass = 41.324318208 -0.895736937621 -3.5385773953 TCL: atom 1: phi = 0.61067496212 TCL: Center of mass = 41.3274841037 -0.895952185749 -3.53869622515 TCL: atom 1: phi = 0.610626727882 TCL: Center of mass = 41.3306482166 -0.896175790726 -3.53882495347 TCL: atom 1: phi = 0.610626820749 TCL: Center of mass = 41.3338165646 -0.896402687554 -3.53893892131 TCL: atom 1: phi = 0.611086745135 TCL: Center of mass = 41.3369875834 -0.896629663692 -3.53905159243 TCL: atom 1: phi = 0.611528051163 TCL: Center of mass = 41.3401633063 -0.896856583751 -3.5391651328 TCL: atom 1: phi = 0.612287311124 TCL: Center of mass = 41.3433469089 -0.897094325657 -3.5392787172 TCL: atom 1: phi = 0.612872947946 TCL: Center of mass = 41.3465325533 -0.897339643872 -3.53939045359 TCL: atom 1: phi = 0.613601495358 TCL: Center of mass = 41.3497161749 -0.89758510252 -3.53950512927 TCL: atom 1: phi = 0.613989309815 TCL: Center of mass = 41.3529021642 -0.897828706281 -3.53959780621 TCL: atom 1: phi = 0.614373743455 TCL: Center of mass = 41.3560920463 -0.898084511264 -3.53969092265 TCL: atom 1: phi = 0.614378444952 TCL: Center of mass = 41.3592813741 -0.898343600468 -3.53978681431 TCL: atom 1: phi = 0.614371077765 TCL: Center of mass = 41.3624713901 -0.898605697365 -3.53989080851 TCL: atom 1: phi = 0.614070721478 TCL: Center of mass = 41.365661483 -0.898864482196 -3.53998542614 TCL: atom 1: phi = 0.613840024654 TCL: Center of mass = 41.3688472344 -0.899114273526 -3.54009422602 TCL: atom 1: phi = 0.613364078689 TCL: Center of mass = 41.3720397566 -0.899365357031 -3.54019088459 TCL: atom 1: phi = 0.613047881149 TCL: Center of mass = 41.3752382097 -0.899620794476 -3.5402844668 TCL: atom 1: phi = 0.612497874397 TCL: Center of mass = 41.3784396206 -0.899882246862 -3.5403718571 TCL: atom 1: phi = 0.612158747008 TCL: Center of mass = 41.3816355627 -0.900142066429 -3.54047699615 TCL: atom 1: phi = 0.611687745648 TCL: Center of mass = 41.3848292216 -0.900402060017 -3.5405760254 TCL: atom 1: phi = 0.611483263995 TCL: Center of mass = 41.3880188505 -0.90065715669 -3.54066256998 TCL: atom 1: phi = 0.611208190488 TCL: Center of mass = 41.3912166486 -0.900907540893 -3.54075090696 TCL: atom 1: phi = 0.611292258668 TCL: Center of mass = 41.394409357 -0.901167369665 -3.54083000936 TCL: atom 1: phi = 0.611371900224 TCL: Center of mass = 41.397587406 -0.901432018577 -3.54090354511 TCL: atom 1: phi = 0.611932611036 TCL: Center of mass = 41.4007697893 -0.901690686731 -3.54098217902 TCL: atom 1: phi = 0.612490094381 TCL: Center of mass = 41.4039590167 -0.901957433023 -3.54105014365 TCL: atom 1: phi = 0.613419999381 TCL: Center of mass = 41.4071509946 -0.90222135302 -3.54111950267 TCL: atom 1: phi = 0.614229579599 TCL: Center of mass = 41.4103238393 -0.902482990791 -3.5411841019 TCL: atom 1: phi = 0.615292480226 TCL: Center of mass = 41.413495071 -0.902742785633 -3.54124365565 TCL: atom 1: phi = 0.616054881482 TCL: Center of mass = 41.416667001 -0.902995637845 -3.54130034685 TCL: atom 1: phi = 0.616923103811 TCL: Center of mass = 41.4198384458 -0.903234476435 -3.54135385687 TCL: atom 1: phi = 0.617388298684 TCL: Center of mass = 41.4229901271 -0.903476517345 -3.54140493813 TCL: atom 1: phi = 0.617955949908 TCL: Center of mass = 41.4261417894 -0.903716985468 -3.54145594067 TCL: atom 1: phi = 0.618139605559 TCL: Center of mass = 41.429288974 -0.90396334186 -3.54150908998 TCL: atom 1: phi = 0.618478953132 TCL: Center of mass = 41.4324426409 -0.904201654741 -3.54156991145 TCL: atom 1: phi = 0.618483107704 TCL: Center of mass = 41.4356018584 -0.904428818985 -3.54163027611 TCL: atom 1: phi = 0.618725689705 TCL: Center of mass = 41.4387584939 -0.904662547331 -3.54169313473 TCL: atom 1: phi = 0.618678005209 TCL: Center of mass = 41.4419096271 -0.904891168592 -3.54176437584 TCL: atom 1: phi = 0.618835070943 TCL: Center of mass = 41.4450673777 -0.90512381136 -3.54183424568 TCL: atom 1: phi = 0.618683389945 TCL: Center of mass = 41.4482221526 -0.90535350533 -3.54190084888 TCL: atom 1: phi = 0.61878584933 TCL: Center of mass = 41.451377044 -0.90558898183 -3.54196051722 TCL: atom 1: phi = 0.618655981246 TCL: Center of mass = 41.4545279008 -0.905824051725 -3.54201775481 TCL: atom 1: phi = 0.618858444636 TCL: Center of mass = 41.457679127 -0.906054412283 -3.54208197333 TCL: atom 1: phi = 0.618915057624 TCL: Center of mass = 41.4608259526 -0.906285127788 -3.54214360004 TCL: atom 1: phi = 0.619378888324 TCL: Center of mass = 41.4639740657 -0.906511019662 -3.5422072171 TCL: atom 1: phi = 0.619669552367 TCL: Center of mass = 41.4671302312 -0.906727516813 -3.54227079002 TCL: atom 1: phi = 0.62038727922 TCL: Center of mass = 41.4702782412 -0.906942500838 -3.54233179185 TCL: atom 1: phi = 0.620919012349 TCL: Center of mass = 41.473438785 -0.907150718732 -3.54240249233 TCL: atom 1: phi = 0.621774509211 TCL: Center of mass = 41.4766042551 -0.907358234328 -3.54248006763 TCL: atom 1: phi = 0.622231762099 TCL: Center of mass = 41.4797731736 -0.907569242205 -3.54256550562 TCL: atom 1: phi = 0.622844981907 TCL: Center of mass = 41.482946665 -0.907780030164 -3.54264916606 TCL: atom 1: phi = 0.623034049814 TCL: Center of mass = 41.4861167823 -0.907986657773 -3.54272427231 TCL: atom 1: phi = 0.623338643723 TIMING: 14300 CPU: 2452.7, 0.172294/step Wall: 2998.28, 0.211042/step, 0.334149 hours remaining, 22051 kB of memory in use. ENERGY: 14300 393.0737 659.0813 413.6988 44.8916 -2759.5355 -205.8199 0.0000 0.0000 1146.0621 -308.5480 312.3340 -299.8395 -300.7579 314.5598 976.0000 830.9823 64000.0000 967.2588 966.4230 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14300 WRITING COORDINATES TO DCD FILE AT STEP 14300 WRITING COORDINATES TO RESTART FILE AT STEP 14300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 41.489282814 -0.908193473715 -3.54279503139 TCL: atom 1: phi = 0.623191475322 TCL: Center of mass = 41.4924562815 -0.908395860011 -3.54287622729 TCL: atom 1: phi = 0.623180593442 TCL: Center of mass = 41.4956306724 -0.908604444898 -3.54295456349 TCL: atom 1: phi = 0.622795078481 TCL: Center of mass = 41.4988019846 -0.908809487478 -3.5430333502 TCL: atom 1: phi = 0.622580040761 TCL: Center of mass = 41.5019687078 -0.9090128357 -3.54310770268 TCL: atom 1: phi = 0.622092437758 TCL: Center of mass = 41.5051368696 -0.909216855895 -3.54318909201 TCL: atom 1: phi = 0.621803887129 TCL: Center of mass = 41.5083046108 -0.909424643511 -3.54327142228 TCL: atom 1: phi = 0.621276685637 TCL: Center of mass = 41.5114897679 -0.909623368232 -3.54334964801 TCL: atom 1: phi = 0.621057337119 TCL: Center of mass = 41.5146713228 -0.909829475077 -3.54343702475 TCL: atom 1: phi = 0.62063540382 TCL: Center of mass = 41.5178464805 -0.910035297708 -3.54352917172 TCL: atom 1: phi = 0.620527263728 TCL: Center of mass = 41.5210123641 -0.910251164463 -3.54361560801 TCL: atom 1: phi = 0.620266707204 TCL: Center of mass = 41.5241734935 -0.910457299396 -3.5437139691 TCL: atom 1: phi = 0.620395761729 TCL: Center of mass = 41.5273298155 -0.910658281213 -3.54380469601 TCL: atom 1: phi = 0.620315162069 TCL: Center of mass = 41.5304848605 -0.910851529559 -3.54389727919 TCL: atom 1: phi = 0.620551367535 TCL: Center of mass = 41.5336429721 -0.911042268831 -3.54398803078 TCL: atom 1: phi = 0.620602094797 TCL: Center of mass = 41.5367959849 -0.911231209067 -3.54408377963 TCL: atom 1: phi = 0.620924748467 TCL: Center of mass = 41.5399558471 -0.911416628913 -3.5441943933 TCL: atom 1: phi = 0.620970278583 TCL: Center of mass = 41.5431203976 -0.911591122887 -3.54430757377 TCL: atom 1: phi = 0.621205892298 TCL: Center of mass = 41.5462841048 -0.911768819623 -3.54441903089 TCL: atom 1: phi = 0.621102205018 TCL: Center of mass = 41.5494405307 -0.911951372515 -3.54453217989 TCL: atom 1: phi = 0.621151927746 TCL: Center of mass = 41.5526050495 -0.912136883324 -3.54464576154 TCL: atom 1: phi = 0.620827309188 TCL: Center of mass = 41.5557676066 -0.912318035633 -3.5447632551 TCL: atom 1: phi = 0.620671439664 TCL: Center of mass = 41.5589430862 -0.912488132863 -3.5448744055 TCL: atom 1: phi = 0.620137180476 TCL: Center of mass = 41.5621119991 -0.9126554514 -3.54498142763 TCL: atom 1: phi = 0.619793585562 TCL: Center of mass = 41.565297014 -0.912831529133 -3.5450924052 TCL: atom 1: phi = 0.619181002082 TCL: Center of mass = 41.5684911767 -0.913008597926 -3.54520668914 TCL: atom 1: phi = 0.618864260482 TCL: Center of mass = 41.5716794692 -0.91318344136 -3.54532393953 TCL: atom 1: phi = 0.618334596645 TCL: Center of mass = 41.5748622011 -0.913357776118 -3.54544570165 TCL: atom 1: phi = 0.618077589838 TCL: Center of mass = 41.578054658 -0.913527250183 -3.54556293899 TCL: atom 1: phi = 0.617623516996 TCL: Center of mass = 41.5812577721 -0.913701114772 -3.54568082733 TCL: atom 1: phi = 0.61741198194 TCL: Center of mass = 41.5844700508 -0.913874914072 -3.54579364485 TCL: atom 1: phi = 0.616993856773 TCL: Center of mass = 41.5876774609 -0.914042894731 -3.54591940596 TCL: atom 1: phi = 0.616726433619 TCL: Center of mass = 41.5908806708 -0.914196797057 -3.54604376737 TCL: atom 1: phi = 0.616250645948 TCL: Center of mass = 41.5940878819 -0.914355551062 -3.54617609734 TCL: atom 1: phi = 0.615943838849 TCL: Center of mass = 41.5973005229 -0.914509355416 -3.54631341217 TCL: atom 1: phi = 0.615434036879 TCL: Center of mass = 41.6005159241 -0.914669654792 -3.54645659435 TCL: atom 1: phi = 0.615138951191 TCL: Center of mass = 41.6037194413 -0.914823840961 -3.54659851263 TCL: atom 1: phi = 0.614607219393 TCL: Center of mass = 41.6069297393 -0.914969179736 -3.54674559605 TCL: atom 1: phi = 0.614219886355 TCL: Center of mass = 41.6101381528 -0.915130435251 -3.54689475104 TCL: atom 1: phi = 0.613626364924 TCL: Center of mass = 41.613337843 -0.915293042019 -3.54704163244 TCL: atom 1: phi = 0.61323492589 TCL: Center of mass = 41.6165420064 -0.915462385301 -3.54719104586 TCL: atom 1: phi = 0.612634254981 TCL: Center of mass = 41.6197432339 -0.915631044544 -3.54733850691 TCL: atom 1: phi = 0.612238657078 TCL: Center of mass = 41.6229416794 -0.915801911405 -3.54747177482 TCL: atom 1: phi = 0.611729589939 TCL: Center of mass = 41.6261347155 -0.915975283237 -3.54760409539 TCL: atom 1: phi = 0.611433647183 TCL: Center of mass = 41.6293290485 -0.916142371908 -3.54774064756 TCL: atom 1: phi = 0.611031937891 TCL: Center of mass = 41.6325190559 -0.916298557886 -3.54786700595 TCL: atom 1: phi = 0.61092294794 TCL: Center of mass = 41.6357137837 -0.916451323983 -3.54799172867 TCL: atom 1: phi = 0.610754879716 TCL: Center of mass = 41.6389094559 -0.91660492531 -3.54811139427 TCL: atom 1: phi = 0.61083691693 TCL: Center of mass = 41.642107842 -0.916766052144 -3.54823324559 TCL: atom 1: phi = 0.610897952609 TCL: Center of mass = 41.6453110408 -0.91693149495 -3.54835794598 TCL: atom 1: phi = 0.611235705106 TCL: Center of mass = 41.6485260553 -0.917106102508 -3.54848833759 TCL: atom 1: phi = 0.611516400341 TCL: Center of mass = 41.6517211213 -0.917279753499 -3.54861825986 TCL: atom 1: phi = 0.611955592784 TCL: Center of mass = 41.6549205391 -0.917461168945 -3.54876136138 TCL: atom 1: phi = 0.612242427651 TCL: Center of mass = 41.6581381373 -0.917645029579 -3.54890505742 TCL: atom 1: phi = 0.612634693513 TCL: Center of mass = 41.661370467 -0.917832741316 -3.54903664193 TCL: atom 1: phi = 0.612792492995 TCL: Center of mass = 41.6645996969 -0.918018079046 -3.54915861467 TCL: atom 1: phi = 0.613023191972 TCL: Center of mass = 41.6678273147 -0.91821154347 -3.54927974947 TCL: atom 1: phi = 0.61300624533 TCL: Center of mass = 41.6710585792 -0.918407052158 -3.54939995908 TCL: atom 1: phi = 0.613115266688 TCL: Center of mass = 41.6742874792 -0.918608748962 -3.54952529705 TCL: atom 1: phi = 0.612982116508 TCL: Center of mass = 41.6775154522 -0.918817126886 -3.54965791682 TCL: atom 1: phi = 0.612989456298 TCL: Center of mass = 41.6807465694 -0.919030123733 -3.54979425474 TCL: atom 1: phi = 0.61273694216 TCL: Center of mass = 41.683974154 -0.919244049096 -3.5499444609 TCL: atom 1: phi = 0.612619506165 TCL: Center of mass = 41.6871952454 -0.919466282367 -3.55008481702 TCL: atom 1: phi = 0.612286844288 TCL: Center of mass = 41.690418096 -0.919683613374 -3.55023347036 TCL: atom 1: phi = 0.612123482758 TCL: Center of mass = 41.6936427853 -0.919902948932 -3.5503811614 TCL: atom 1: phi = 0.611734877762 TCL: Center of mass = 41.6968632311 -0.920119449936 -3.55053471035 TCL: atom 1: phi = 0.611627001582 TCL: Center of mass = 41.700084967 -0.920327577314 -3.55070147155 TCL: atom 1: phi = 0.611448791029 TCL: Center of mass = 41.7033049497 -0.920524545161 -3.55083743942 TCL: atom 1: phi = 0.611549344725 TCL: Center of mass = 41.7065354194 -0.920726131386 -3.5509683509 TCL: atom 1: phi = 0.611640394874 TCL: Center of mass = 41.7097573453 -0.920919060913 -3.55111252156 TCL: atom 1: phi = 0.612123697636 TCL: Center of mass = 41.7129782162 -0.921112741202 -3.55125517743 TCL: atom 1: phi = 0.612503441056 TCL: Center of mass = 41.7162027022 -0.921303327406 -3.55140610797 TCL: atom 1: phi = 0.613194039866 TCL: Center of mass = 41.7194275729 -0.921493125466 -3.55155320618 TCL: atom 1: phi = 0.613715567346 TCL: Center of mass = 41.7226403518 -0.921672432129 -3.55170170835 TCL: atom 1: phi = 0.61441434055 TCL: Center of mass = 41.725851563 -0.921850677798 -3.55184125756 TCL: atom 1: phi = 0.614811661549 TCL: Center of mass = 41.729047792 -0.922028033822 -3.5519866225 TCL: atom 1: phi = 0.615354771462 TCL: Center of mass = 41.7322478976 -0.922199193598 -3.55213184348 TCL: atom 1: phi = 0.615586655134 TCL: Center of mass = 41.7354585279 -0.922373873041 -3.552274582 TCL: atom 1: phi = 0.615998591328 TCL: Center of mass = 41.7386742615 -0.922550895381 -3.55241509291 TCL: atom 1: phi = 0.616127143668 TCL: Center of mass = 41.7418980138 -0.922722114337 -3.55255918747 TCL: atom 1: phi = 0.616484258804 TCL: Center of mass = 41.7451274511 -0.922894163736 -3.55269863452 TCL: atom 1: phi = 0.616580825478 TCL: Center of mass = 41.7483570211 -0.92306477139 -3.5528396939 TCL: atom 1: phi = 0.616947824731 TCL: Center of mass = 41.7515825744 -0.92323439045 -3.55296170886 TCL: atom 1: phi = 0.617083779565 TCL: Center of mass = 41.7548098033 -0.923392835048 -3.55307980364 TCL: atom 1: phi = 0.617405789489 TCL: Center of mass = 41.7580355829 -0.923561288232 -3.55319027755 TCL: atom 1: phi = 0.617485869394 TCL: Center of mass = 41.7612541978 -0.923732104175 -3.55330904638 TCL: atom 1: phi = 0.617737283533 TCL: Center of mass = 41.7644819002 -0.923896252843 -3.55342021179 TCL: atom 1: phi = 0.617840780114 TCL: Center of mass = 41.7676990894 -0.924063566002 -3.55352582922 TCL: atom 1: phi = 0.618314511182 TCL: Center of mass = 41.7709083204 -0.924221857072 -3.55363175854 TCL: atom 1: phi = 0.618731775516 TCL: Center of mass = 41.7741103827 -0.924377549752 -3.5537536826 TCL: atom 1: phi = 0.619554893921 TCL: Center of mass = 41.7773226302 -0.92451870648 -3.5538719448 TCL: atom 1: phi = 0.620227409869 TCL: Center of mass = 41.7805418141 -0.924677631326 -3.55399070919 TCL: atom 1: phi = 0.621133143805 TCL: Center of mass = 41.7837632824 -0.924849788447 -3.55410270249 TCL: atom 1: phi = 0.621776217818 TCL: Center of mass = 41.7869802957 -0.925023917611 -3.55421802613 TCL: atom 1: phi = 0.622552074638 TCL: Center of mass = 41.7901856997 -0.925194866382 -3.55432645477 TCL: atom 1: phi = 0.622983621513 TCL: Center of mass = 41.7933950194 -0.925367367786 -3.55443441097 TCL: atom 1: phi = 0.623494950485 TCL: Center of mass = 41.796606134 -0.925539877146 -3.55455374261 TCL: atom 1: phi = 0.623679422489 TCL: Center of mass = 41.7998113409 -0.925715098525 -3.55465789173 TCL: atom 1: phi = 0.62395377748 TCL: Center of mass = 41.8030248523 -0.925904505346 -3.55476399928 TCL: atom 1: phi = 0.623964178608 TCL: Center of mass = 41.8062384112 -0.926097071228 -3.55488475549 TCL: atom 1: phi = 0.624160440939 TIMING: 14400 CPU: 2469.94, 0.172464/step Wall: 3019.42, 0.211401/step, 0.328846 hours remaining, 22051 kB of memory in use. ENERGY: 14400 394.0774 653.9695 423.7482 44.9925 -2751.0308 -237.3666 0.0000 0.0000 1154.3204 -317.2894 314.5846 -308.5950 -309.2342 313.9483 1310.7821 1077.3421 64000.0000 863.9407 868.6288 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14400 WRITING COORDINATES TO DCD FILE AT STEP 14400 WRITING COORDINATES TO RESTART FILE AT STEP 14400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 41.8094452641 -0.926293765482 -3.55500922693 TCL: atom 1: phi = 0.624139488759 TCL: Center of mass = 41.8126395319 -0.926487924728 -3.5551340759 TCL: atom 1: phi = 0.624265283175 TCL: Center of mass = 41.815830913 -0.926682800386 -3.55526089442 TCL: atom 1: phi = 0.624103672289 TCL: Center of mass = 41.8190151529 -0.926867202072 -3.55539128238 TCL: atom 1: phi = 0.624065800895 TCL: Center of mass = 41.8221857887 -0.92706085696 -3.55552752381 TCL: atom 1: phi = 0.623697783825 TCL: Center of mass = 41.8253503825 -0.927252838275 -3.55566077675 TCL: atom 1: phi = 0.62344200377 TCL: Center of mass = 41.8285096808 -0.927437670836 -3.55579972944 TCL: atom 1: phi = 0.622921454363 TCL: Center of mass = 41.8316709473 -0.927607342951 -3.5559537243 TCL: atom 1: phi = 0.622647095824 TCL: Center of mass = 41.8348317296 -0.927785578768 -3.55612359872 TCL: atom 1: phi = 0.622239766313 TCL: Center of mass = 41.8379884724 -0.927967422041 -3.55629317677 TCL: atom 1: phi = 0.622181572361 TCL: Center of mass = 41.8411404303 -0.928147792858 -3.5564563547 TCL: atom 1: phi = 0.622151598779 TCL: Center of mass = 41.8442995316 -0.928325970931 -3.5566265142 TCL: atom 1: phi = 0.622514590141 TCL: Center of mass = 41.84744434 -0.928508550885 -3.55679938612 TCL: atom 1: phi = 0.622816664374 TCL: Center of mass = 41.8505880564 -0.928685947511 -3.55697118029 TCL: atom 1: phi = 0.623363054212 TCL: Center of mass = 41.8537394229 -0.928873425269 -3.5571462276 TCL: atom 1: phi = 0.623668203805 TCL: Center of mass = 41.8569019022 -0.929064281006 -3.55733333782 TCL: atom 1: phi = 0.624134518445 TCL: Center of mass = 41.8600584141 -0.929271565111 -3.55752867589 TCL: atom 1: phi = 0.624318810632 TCL: Center of mass = 41.8632304143 -0.929482783204 -3.55771728614 TCL: atom 1: phi = 0.624740688615 TCL: Center of mass = 41.866401881 -0.929709543375 -3.55790554629 TCL: atom 1: phi = 0.625033276867 TCL: Center of mass = 41.8695660233 -0.929919471269 -3.55807872779 TCL: atom 1: phi = 0.625628787562 TCL: Center of mass = 41.8727202138 -0.930130907786 -3.5582586363 TCL: atom 1: phi = 0.626083940673 TCL: Center of mass = 41.8758733296 -0.930337378173 -3.55843923277 TCL: atom 1: phi = 0.626767881896 TCL: Center of mass = 41.8790139379 -0.930544776477 -3.55862426029 TCL: atom 1: phi = 0.627169501587 TCL: Center of mass = 41.8821601636 -0.930751310163 -3.55881664411 TCL: atom 1: phi = 0.627690289224 TCL: Center of mass = 41.8853148143 -0.930954770405 -3.55900357959 TCL: atom 1: phi = 0.627807697388 TCL: Center of mass = 41.8884672059 -0.931159943551 -3.5591866769 TCL: atom 1: phi = 0.628027845768 TCL: Center of mass = 41.8916201076 -0.931362631018 -3.55936927288 TCL: atom 1: phi = 0.627915025458 TCL: Center of mass = 41.8947763196 -0.931562774114 -3.55954873121 TCL: atom 1: phi = 0.62803588808 TCL: Center of mass = 41.8979317678 -0.931750183365 -3.55972954085 TCL: atom 1: phi = 0.62797603507 TCL: Center of mass = 41.9010818416 -0.931928398272 -3.55990225661 TCL: atom 1: phi = 0.628304108802 TCL: Center of mass = 41.9042380087 -0.932106707219 -3.56007038805 TCL: atom 1: phi = 0.628549955994 TCL: Center of mass = 41.9074027001 -0.932283930041 -3.56021449452 TCL: atom 1: phi = 0.629159270268 TCL: Center of mass = 41.9105670273 -0.932457425259 -3.56035585224 TCL: atom 1: phi = 0.629544826833 TCL: Center of mass = 41.9137340817 -0.932628492728 -3.5604796762 TCL: atom 1: phi = 0.63015008526 TCL: Center of mass = 41.9168881945 -0.932809046153 -3.56060950124 TCL: atom 1: phi = 0.630417664882 TCL: Center of mass = 41.9200453063 -0.932999554791 -3.56074470745 TCL: atom 1: phi = 0.630841299447 TCL: Center of mass = 41.9232079205 -0.93318348442 -3.56089658832 TCL: atom 1: phi = 0.630863654675 TCL: Center of mass = 41.9263662168 -0.933376657555 -3.56105934664 TCL: atom 1: phi = 0.631021415714 TCL: Center of mass = 41.9295322961 -0.933571514758 -3.56122678465 TCL: atom 1: phi = 0.630886863408 TCL: Center of mass = 41.9326926005 -0.933771271222 -3.56139222203 TCL: atom 1: phi = 0.63102781 TCL: Center of mass = 41.9358635665 -0.933973402873 -3.56155238636 TCL: atom 1: phi = 0.631004912302 TCL: Center of mass = 41.9390264768 -0.93419531067 -3.561713327 TCL: atom 1: phi = 0.631292316251 TCL: Center of mass = 41.9421750304 -0.934417976471 -3.56186546338 TCL: atom 1: phi = 0.631387739184 TCL: Center of mass = 41.9453160551 -0.934642648982 -3.56202121898 TCL: atom 1: phi = 0.631746167651 TCL: Center of mass = 41.9484523739 -0.934864369152 -3.56217967383 TCL: atom 1: phi = 0.631836310458 TCL: Center of mass = 41.9515824377 -0.935075008138 -3.56232755629 TCL: atom 1: phi = 0.632037837475 TCL: Center of mass = 41.9547248856 -0.935292872183 -3.5624527773 TCL: atom 1: phi = 0.631922064535 TCL: Center of mass = 41.957863218 -0.935502720986 -3.56258253675 TCL: atom 1: phi = 0.631981455397 TCL: Center of mass = 41.9610044804 -0.935709800935 -3.56270566836 TCL: atom 1: phi = 0.631877136166 TCL: Center of mass = 41.9641587002 -0.935908986668 -3.56282099712 TCL: atom 1: phi = 0.632112486469 TCL: Center of mass = 41.9673255338 -0.936109138324 -3.56293616342 TCL: atom 1: phi = 0.632263156828 TCL: Center of mass = 41.9704924544 -0.936313856769 -3.56305695302 TCL: atom 1: phi = 0.632760948181 TCL: Center of mass = 41.9736576606 -0.936527170994 -3.56317880405 TCL: atom 1: phi = 0.633092495826 TCL: Center of mass = 41.9768231954 -0.936744324753 -3.56328770524 TCL: atom 1: phi = 0.633634976919 TCL: Center of mass = 41.9799946825 -0.936960616766 -3.56339009206 TCL: atom 1: phi = 0.633861459848 TCL: Center of mass = 41.983156077 -0.937184088848 -3.56349278733 TCL: atom 1: phi = 0.634161068772 TCL: Center of mass = 41.9863027051 -0.93740438535 -3.56359663302 TCL: atom 1: phi = 0.634017837917 TCL: Center of mass = 41.9894557019 -0.937623689744 -3.56369926489 TCL: atom 1: phi = 0.633952105836 TCL: Center of mass = 41.9925941166 -0.937825272009 -3.56380066163 TCL: atom 1: phi = 0.63357671198 TCL: Center of mass = 41.9957314585 -0.938026515674 -3.56390169886 TCL: atom 1: phi = 0.633483396685 TCL: Center of mass = 41.9988687326 -0.938226432276 -3.56400705885 TCL: atom 1: phi = 0.633230638237 TCL: Center of mass = 42.0019965821 -0.938428556592 -3.56410668278 TCL: atom 1: phi = 0.63328055422 TCL: Center of mass = 42.0051274006 -0.938621888992 -3.56420099512 TCL: atom 1: phi = 0.633172911555 TCL: Center of mass = 42.0082548181 -0.938820043857 -3.56428710464 TCL: atom 1: phi = 0.633265826964 TCL: Center of mass = 42.0113689226 -0.939017197953 -3.56437706375 TCL: atom 1: phi = 0.633109576232 TCL: Center of mass = 42.0144801338 -0.939215095075 -3.5644714055 TCL: atom 1: phi = 0.633121555209 TCL: Center of mass = 42.017592753 -0.939407040858 -3.56456008768 TCL: atom 1: phi = 0.632843994279 TCL: Center of mass = 42.0207185055 -0.939597955821 -3.5646438006 TCL: atom 1: phi = 0.632737196793 TCL: Center of mass = 42.0238462569 -0.939796039802 -3.56473146693 TCL: atom 1: phi = 0.632438441501 TCL: Center of mass = 42.0269735534 -0.939994375159 -3.56482154976 TCL: atom 1: phi = 0.63251424716 TCL: Center of mass = 42.0300942894 -0.940199178655 -3.56490811955 TCL: atom 1: phi = 0.632554471529 TCL: Center of mass = 42.0332091889 -0.9404083297 -3.56499811777 TCL: atom 1: phi = 0.633110260114 TCL: Center of mass = 42.0363234642 -0.940613883323 -3.56508000896 TCL: atom 1: phi = 0.633617208867 TCL: Center of mass = 42.0394419758 -0.940814670449 -3.56517582848 TCL: atom 1: phi = 0.634476484481 TCL: Center of mass = 42.0425552156 -0.941017744257 -3.56526251779 TCL: atom 1: phi = 0.635146252291 TCL: Center of mass = 42.0456635799 -0.941226790552 -3.56534102425 TCL: atom 1: phi = 0.635938314115 TCL: Center of mass = 42.0487647849 -0.941432861617 -3.56542748995 TCL: atom 1: phi = 0.636338347822 TCL: Center of mass = 42.0518608936 -0.941632561742 -3.56551681459 TCL: atom 1: phi = 0.636773521487 TCL: Center of mass = 42.0549622456 -0.941830682629 -3.56561522307 TCL: atom 1: phi = 0.636831134496 TCL: Center of mass = 42.0580600076 -0.942018993004 -3.56571501576 TCL: atom 1: phi = 0.63706722446 TCL: Center of mass = 42.0611637928 -0.942207444616 -3.56580370474 TCL: atom 1: phi = 0.637106176906 TCL: Center of mass = 42.0642604168 -0.942394464094 -3.56589399975 TCL: atom 1: phi = 0.637460992741 TCL: Center of mass = 42.0673691903 -0.942580178899 -3.56598236822 TCL: atom 1: phi = 0.637739814915 TCL: Center of mass = 42.0704702821 -0.942776611109 -3.56609543243 TCL: atom 1: phi = 0.638278240995 TCL: Center of mass = 42.073575259 -0.942972925259 -3.56620309927 TCL: atom 1: phi = 0.638621969435 TCL: Center of mass = 42.0766808066 -0.943171349822 -3.56630153305 TCL: atom 1: phi = 0.639114114474 TCL: Center of mass = 42.0797825887 -0.943368442939 -3.566399571 TCL: atom 1: phi = 0.639297010448 TCL: Center of mass = 42.0828840038 -0.943564526186 -3.56649646395 TCL: atom 1: phi = 0.639577135867 TCL: Center of mass = 42.0859927923 -0.943755058385 -3.56660345855 TCL: atom 1: phi = 0.639604915913 TCL: Center of mass = 42.0890999252 -0.943944766547 -3.56670698393 TCL: atom 1: phi = 0.639873591079 TCL: Center of mass = 42.0922194448 -0.944156466494 -3.56681557728 TCL: atom 1: phi = 0.640039013141 TCL: Center of mass = 42.0953321044 -0.94436695598 -3.56692564056 TCL: atom 1: phi = 0.640510609717 TCL: Center of mass = 42.0984387196 -0.944593982587 -3.56703538078 TCL: atom 1: phi = 0.640902782897 TCL: Center of mass = 42.1015415733 -0.944811811436 -3.56714613542 TCL: atom 1: phi = 0.641575251286 TCL: Center of mass = 42.1046323376 -0.945037579908 -3.56726674816 TCL: atom 1: phi = 0.642023994554 TCL: Center of mass = 42.1077224185 -0.945256618813 -3.56738470138 TCL: atom 1: phi = 0.642571015941 TCL: Center of mass = 42.1108186441 -0.945468802281 -3.56750248216 TCL: atom 1: phi = 0.642744860654 TCL: Center of mass = 42.113918771 -0.945672064863 -3.56761838121 TCL: atom 1: phi = 0.64291854714 TCL: Center of mass = 42.1170214324 -0.945871224569 -3.56773066816 TCL: atom 1: phi = 0.642704776626 TCL: Center of mass = 42.1201175693 -0.946075096198 -3.56784194968 TCL: atom 1: phi = 0.642619183312 TIMING: 14500 CPU: 2487.19, 0.172474/step Wall: 3040.53, 0.211102/step, 0.322517 hours remaining, 22051 kB of memory in use. ENERGY: 14500 380.8452 674.9773 420.0921 48.7172 -2764.0638 -220.8516 0.0000 0.0000 1145.4735 -314.8100 312.1736 -306.3419 -306.4024 313.1745 1150.3607 878.2662 64000.0000 916.4466 910.1411 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14500 WRITING COORDINATES TO DCD FILE AT STEP 14500 WRITING COORDINATES TO RESTART FILE AT STEP 14500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 42.1232213534 -0.94627881003 -3.56795643485 TCL: atom 1: phi = 0.64232400197 TCL: Center of mass = 42.1263310914 -0.946487084321 -3.56806463683 TCL: atom 1: phi = 0.642291666595 TCL: Center of mass = 42.1294468427 -0.946695037979 -3.56815864492 TCL: atom 1: phi = 0.642193342042 TCL: Center of mass = 42.132547145 -0.946905125665 -3.56825510527 TCL: atom 1: phi = 0.642433083455 TCL: Center of mass = 42.1356501961 -0.947127665655 -3.56833734499 TCL: atom 1: phi = 0.642510863738 TCL: Center of mass = 42.1387540829 -0.94734960285 -3.56841670842 TCL: atom 1: phi = 0.642812847146 TCL: Center of mass = 42.141857533 -0.947572654458 -3.56849228014 TCL: atom 1: phi = 0.642819719876 TCL: Center of mass = 42.1449560645 -0.947791916841 -3.56857852664 TCL: atom 1: phi = 0.64299425922 TCL: Center of mass = 42.1480724571 -0.948015530455 -3.56865891094 TCL: atom 1: phi = 0.642763006069 TCL: Center of mass = 42.1511929324 -0.948249801137 -3.56874918125 TCL: atom 1: phi = 0.642711937433 TCL: Center of mass = 42.1543131755 -0.948490540516 -3.56885092983 TCL: atom 1: phi = 0.64243099193 TCL: Center of mass = 42.1574341973 -0.94874379518 -3.56896227834 TCL: atom 1: phi = 0.642533783389 TCL: Center of mass = 42.1605567887 -0.948996833984 -3.56906067639 TCL: atom 1: phi = 0.642605326131 TCL: Center of mass = 42.1636929163 -0.94925265388 -3.56915108568 TCL: atom 1: phi = 0.643087160063 TCL: Center of mass = 42.1668343157 -0.949515712004 -3.5692331048 TCL: atom 1: phi = 0.64340860065 TCL: Center of mass = 42.1699735672 -0.949777944847 -3.5693101252 TCL: atom 1: phi = 0.64401300182 TCL: Center of mass = 42.1731177261 -0.950049379567 -3.569388434 TCL: atom 1: phi = 0.64425583461 TCL: Center of mass = 42.1762697476 -0.950322483699 -3.56947536647 TCL: atom 1: phi = 0.644547075041 TCL: Center of mass = 42.1794194362 -0.950595748344 -3.56955938753 TCL: atom 1: phi = 0.644336568728 TCL: Center of mass = 42.1825689837 -0.950864697818 -3.56963187663 TCL: atom 1: phi = 0.644208628278 TCL: Center of mass = 42.1857202711 -0.951136835478 -3.56969354615 TCL: atom 1: phi = 0.64378833685 TCL: Center of mass = 42.1888782473 -0.951399913324 -3.56975814404 TCL: atom 1: phi = 0.64366561102 TCL: Center of mass = 42.1920323501 -0.951658595507 -3.56981986124 TCL: atom 1: phi = 0.643392612639 TCL: Center of mass = 42.1951781702 -0.95191100937 -3.56988062653 TCL: atom 1: phi = 0.643460753429 TCL: Center of mass = 42.198323815 -0.952163018173 -3.56993633103 TCL: atom 1: phi = 0.64335192718 TCL: Center of mass = 42.2014683589 -0.952417505577 -3.56998648176 TCL: atom 1: phi = 0.643511020387 TCL: Center of mass = 42.2046108482 -0.952673633045 -3.57003589772 TCL: atom 1: phi = 0.643386144404 TCL: Center of mass = 42.2077680767 -0.952934598619 -3.57007424915 TCL: atom 1: phi = 0.64342577545 TCL: Center of mass = 42.2109216188 -0.953188636633 -3.57010940793 TCL: atom 1: phi = 0.643144622725 TCL: Center of mass = 42.2140774209 -0.95344742436 -3.57014356099 TCL: atom 1: phi = 0.643051114547 TCL: Center of mass = 42.2172326444 -0.953693249711 -3.57018455677 TCL: atom 1: phi = 0.642733320132 TCL: Center of mass = 42.22039447 -0.953939600509 -3.57022990847 TCL: atom 1: phi = 0.642768886947 TCL: Center of mass = 42.2235564722 -0.954179107699 -3.57026520784 TCL: atom 1: phi = 0.64274273472 TCL: Center of mass = 42.2267074358 -0.954415506156 -3.57029813924 TCL: atom 1: phi = 0.643078081297 TCL: Center of mass = 42.2298583084 -0.954655469264 -3.57032649864 TCL: atom 1: phi = 0.643284849372 TCL: Center of mass = 42.2330033803 -0.954907539377 -3.57035767557 TCL: atom 1: phi = 0.643723105702 TCL: Center of mass = 42.2361312912 -0.955168222126 -3.57039141978 TCL: atom 1: phi = 0.643811860994 TCL: Center of mass = 42.239255821 -0.955439022226 -3.57042128457 TCL: atom 1: phi = 0.643958332191 TCL: Center of mass = 42.242373777 -0.955703751256 -3.57043869659 TCL: atom 1: phi = 0.643652416009 TCL: Center of mass = 42.2454959423 -0.955956766351 -3.57045755766 TCL: atom 1: phi = 0.64347366575 TCL: Center of mass = 42.2486220222 -0.956210143319 -3.57047847247 TCL: atom 1: phi = 0.642984822742 TCL: Center of mass = 42.251728856 -0.956450949798 -3.57048924125 TCL: atom 1: phi = 0.642815691958 TCL: Center of mass = 42.2548301421 -0.956693707641 -3.57050807253 TCL: atom 1: phi = 0.642641647897 TCL: Center of mass = 42.2579168473 -0.956935555758 -3.57052342988 TCL: atom 1: phi = 0.642903409219 TCL: Center of mass = 42.2610065597 -0.957180681614 -3.5705567586 TCL: atom 1: phi = 0.643167039599 TCL: Center of mass = 42.2640852697 -0.957422467045 -3.57058162684 TCL: atom 1: phi = 0.643823933123 TCL: Center of mass = 42.2671577102 -0.957668811415 -3.5706214119 TCL: atom 1: phi = 0.644392542556 TCL: Center of mass = 42.2702335443 -0.957901938988 -3.57065141028 TCL: atom 1: phi = 0.645217542592 TCL: Center of mass = 42.2733073159 -0.958131939271 -3.57069246809 TCL: atom 1: phi = 0.645782432481 TCL: Center of mass = 42.2763720982 -0.958367088041 -3.57073544599 TCL: atom 1: phi = 0.646488971696 TCL: Center of mass = 42.2794435384 -0.958600736968 -3.5707786501 TCL: atom 1: phi = 0.646971615806 TCL: Center of mass = 42.2825314098 -0.958846375739 -3.5708253038 TCL: atom 1: phi = 0.647745017872 TCL: Center of mass = 42.2856134866 -0.959087221629 -3.57087808691 TCL: atom 1: phi = 0.64833427755 TCL: Center of mass = 42.2886866747 -0.959309981273 -3.57092981139 TCL: atom 1: phi = 0.649284428813 TCL: Center of mass = 42.2917584525 -0.959531015039 -3.57097124351 TCL: atom 1: phi = 0.650061573239 TCL: Center of mass = 42.2948416681 -0.959735873511 -3.57102081081 TCL: atom 1: phi = 0.651088723043 TCL: Center of mass = 42.2979232559 -0.959933929178 -3.57107066044 TCL: atom 1: phi = 0.651828741317 TCL: Center of mass = 42.3010094622 -0.960128943524 -3.57111762953 TCL: atom 1: phi = 0.652676515161 TCL: Center of mass = 42.3040864043 -0.960319931047 -3.57116415026 TCL: atom 1: phi = 0.653085774567 TCL: Center of mass = 42.3071660704 -0.960498899619 -3.57121564424 TCL: atom 1: phi = 0.653564802788 TCL: Center of mass = 42.31026447 -0.960679441667 -3.57127237617 TCL: atom 1: phi = 0.653649888531 TCL: Center of mass = 42.3133677486 -0.960859379598 -3.57133630079 TCL: atom 1: phi = 0.653930534836 TCL: Center of mass = 42.3164679445 -0.961039241824 -3.57141013986 TCL: atom 1: phi = 0.653876234894 TCL: Center of mass = 42.3195722582 -0.961216085623 -3.57148307586 TCL: atom 1: phi = 0.65410091325 TCL: Center of mass = 42.3226824833 -0.961393479279 -3.57155814399 TCL: atom 1: phi = 0.654123317506 TCL: Center of mass = 42.3258006641 -0.961577229612 -3.57162195028 TCL: atom 1: phi = 0.654472776513 TCL: Center of mass = 42.3289204855 -0.961752589823 -3.57167756814 TCL: atom 1: phi = 0.654599951911 TCL: Center of mass = 42.3320337912 -0.961931646195 -3.57173156797 TCL: atom 1: phi = 0.655008597023 TCL: Center of mass = 42.3351579071 -0.962113172885 -3.57178662562 TCL: atom 1: phi = 0.655060379463 TCL: Center of mass = 42.3382807679 -0.962296030775 -3.57184475414 TCL: atom 1: phi = 0.655287346287 TCL: Center of mass = 42.3414087112 -0.962479547085 -3.57190335117 TCL: atom 1: phi = 0.65511541167 TCL: Center of mass = 42.3445342512 -0.962661979314 -3.57195444549 TCL: atom 1: phi = 0.655155332003 TCL: Center of mass = 42.3476598227 -0.962841567078 -3.57199905458 TCL: atom 1: phi = 0.654990736585 TCL: Center of mass = 42.3507894699 -0.963024938783 -3.57206374976 TCL: atom 1: phi = 0.655218506559 TCL: Center of mass = 42.3539215315 -0.96321490332 -3.57212999587 TCL: atom 1: phi = 0.655248558436 TCL: Center of mass = 42.3570454881 -0.963398275622 -3.5721975218 TCL: atom 1: phi = 0.655558147901 TCL: Center of mass = 42.3601671886 -0.96357669172 -3.5722625266 TCL: atom 1: phi = 0.655531588125 TCL: Center of mass = 42.3632857237 -0.963765632233 -3.57233054181 TCL: atom 1: phi = 0.655610007483 TCL: Center of mass = 42.3664186603 -0.963967051178 -3.57238781817 TCL: atom 1: phi = 0.655221750105 TCL: Center of mass = 42.3695576653 -0.964170933116 -3.57244376248 TCL: atom 1: phi = 0.654841856528 TCL: Center of mass = 42.3726931755 -0.964372051651 -3.57248984215 TCL: atom 1: phi = 0.654065375456 TCL: Center of mass = 42.3758389789 -0.964567630202 -3.57255438956 TCL: atom 1: phi = 0.653390483552 TCL: Center of mass = 42.3789770502 -0.964760582577 -3.57262264343 TCL: atom 1: phi = 0.652438909669 TCL: Center of mass = 42.3821055343 -0.964960318601 -3.5726875712 TCL: atom 1: phi = 0.651811445907 TCL: Center of mass = 42.3852413296 -0.965168670662 -3.57275275119 TCL: atom 1: phi = 0.65113648403 TCL: Center of mass = 42.3883858572 -0.965361710152 -3.57281770319 TCL: atom 1: phi = 0.650894375669 TCL: Center of mass = 42.3915452456 -0.965546804509 -3.57288461667 TCL: atom 1: phi = 0.650636732127 TCL: Center of mass = 42.3947033281 -0.965744439504 -3.57294129991 TCL: atom 1: phi = 0.650700843214 TCL: Center of mass = 42.3978557527 -0.965937203789 -3.57298818764 TCL: atom 1: phi = 0.65061724045 TCL: Center of mass = 42.4010216285 -0.966132479007 -3.57303644587 TCL: atom 1: phi = 0.650762379329 TCL: Center of mass = 42.4041876846 -0.966326728038 -3.57308886812 TCL: atom 1: phi = 0.650748750007 TCL: Center of mass = 42.4073504607 -0.966526106697 -3.57314085211 TCL: atom 1: phi = 0.650951356091 TCL: Center of mass = 42.4105220207 -0.966723385112 -3.57318361212 TCL: atom 1: phi = 0.651092681197 TCL: Center of mass = 42.4136862659 -0.966924637955 -3.57322430893 TCL: atom 1: phi = 0.651568338537 TCL: Center of mass = 42.4168429728 -0.96712946477 -3.57327530955 TCL: atom 1: phi = 0.652033130763 TCL: Center of mass = 42.4200097259 -0.967340039264 -3.57333316188 TCL: atom 1: phi = 0.652894941479 TCL: Center of mass = 42.4231764014 -0.967546093922 -3.5733921024 TCL: atom 1: phi = 0.653712900217 TCL: Center of mass = 42.4263433953 -0.967752250808 -3.5734478498 TCL: atom 1: phi = 0.654823394758 TCL: Center of mass = 42.42950475 -0.967965597169 -3.57351145383 TCL: atom 1: phi = 0.65570696802 TCL: Center of mass = 42.4326588548 -0.968195587425 -3.57356748778 TCL: atom 1: phi = 0.656746502775 TIMING: 14600 CPU: 2504.46, 0.172644/step Wall: 3061.68, 0.211452/step, 0.317178 hours remaining, 22051 kB of memory in use. ENERGY: 14600 402.8735 697.8191 412.6670 40.5526 -2766.6251 -226.2148 0.0000 0.0000 1142.2144 -296.7133 311.2854 -288.4808 -287.6186 310.9400 888.3253 573.2077 64000.0000 1105.5887 1103.1123 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14600 WRITING COORDINATES TO DCD FILE AT STEP 14600 WRITING COORDINATES TO RESTART FILE AT STEP 14600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 42.4358097391 -0.968429064458 -3.57362365919 TCL: atom 1: phi = 0.657435353472 TCL: Center of mass = 42.4389637865 -0.968662633567 -3.5736538455 TCL: atom 1: phi = 0.658223874244 TCL: Center of mass = 42.4421099224 -0.968882952539 -3.57368025543 TCL: atom 1: phi = 0.658724127635 TCL: Center of mass = 42.4452460482 -0.969110628483 -3.57371369234 TCL: atom 1: phi = 0.659487418349 TCL: Center of mass = 42.4483821313 -0.969352029086 -3.57374973737 TCL: atom 1: phi = 0.660079814212 TCL: Center of mass = 42.4515063684 -0.969584138363 -3.57379379857 TCL: atom 1: phi = 0.661075018762 TCL: Center of mass = 42.4546108102 -0.969813121589 -3.57383370925 TCL: atom 1: phi = 0.661936360322 TCL: Center of mass = 42.4577169299 -0.970040642121 -3.57387750713 TCL: atom 1: phi = 0.663083693462 TCL: Center of mass = 42.4608168702 -0.970270077365 -3.57391497463 TCL: atom 1: phi = 0.663878514575 TCL: Center of mass = 42.4639219822 -0.970499400732 -3.57395683648 TCL: atom 1: phi = 0.664837575201 TCL: Center of mass = 42.4670365105 -0.970726074876 -3.57398868305 TCL: atom 1: phi = 0.665356511665 TCL: Center of mass = 42.4701587512 -0.970942499385 -3.57404042678 TCL: atom 1: phi = 0.666098925488 TCL: Center of mass = 42.4732879187 -0.971165737625 -3.57408513198 TCL: atom 1: phi = 0.666568741971 TCL: Center of mass = 42.4764184162 -0.971389957144 -3.57413272768 TCL: atom 1: phi = 0.667376772082 TCL: Center of mass = 42.4795459072 -0.971615198131 -3.57418309647 TCL: atom 1: phi = 0.667954133004 TCL: Center of mass = 42.4826836071 -0.97183144741 -3.5742328966 TCL: atom 1: phi = 0.668984115416 TCL: Center of mass = 42.4858180225 -0.972049784603 -3.57428236967 TCL: atom 1: phi = 0.669741548989 TCL: Center of mass = 42.4889517941 -0.972280087641 -3.57432933529 TCL: atom 1: phi = 0.670871419473 TCL: Center of mass = 42.4920836877 -0.972508019306 -3.57438222172 TCL: atom 1: phi = 0.671555639307 TCL: Center of mass = 42.4952147938 -0.972738117503 -3.57443617161 TCL: atom 1: phi = 0.672417056004 TCL: Center of mass = 42.4983632925 -0.972961362822 -3.57448999312 TCL: atom 1: phi = 0.672718548897 TCL: Center of mass = 42.5015105113 -0.973189959514 -3.57454393071 TCL: atom 1: phi = 0.673229746111 TCL: Center of mass = 42.5046555016 -0.973427304548 -3.57458977034 TCL: atom 1: phi = 0.673266727468 TCL: Center of mass = 42.5077938241 -0.973671756728 -3.57463111442 TCL: atom 1: phi = 0.673589130347 TCL: Center of mass = 42.5109394064 -0.973912041792 -3.57467604646 TCL: atom 1: phi = 0.673593891021 TCL: Center of mass = 42.5140935092 -0.974151595868 -3.57471778376 TCL: atom 1: phi = 0.673959085255 TCL: Center of mass = 42.5172498388 -0.97439645206 -3.57474283004 TCL: atom 1: phi = 0.674068998475 TCL: Center of mass = 42.5203999156 -0.97464464295 -3.5747795572 TCL: atom 1: phi = 0.674552934454 TCL: Center of mass = 42.5235492143 -0.97489786951 -3.57480693138 TCL: atom 1: phi = 0.674643153177 TCL: Center of mass = 42.5267026415 -0.975134177379 -3.57482236245 TCL: atom 1: phi = 0.674969188758 TCL: Center of mass = 42.5298587442 -0.975382437612 -3.57482841342 TCL: atom 1: phi = 0.674885421334 TCL: Center of mass = 42.5330174117 -0.975624689315 -3.57484727256 TCL: atom 1: phi = 0.674958227285 TCL: Center of mass = 42.5361788152 -0.975877316886 -3.57487094736 TCL: atom 1: phi = 0.674622149328 TCL: Center of mass = 42.5393349985 -0.976124139247 -3.57491225182 TCL: atom 1: phi = 0.674494000304 TCL: Center of mass = 42.5425002387 -0.976375968019 -3.5749544123 TCL: atom 1: phi = 0.674076446829 TCL: Center of mass = 42.5456667605 -0.976625917696 -3.57499214767 TCL: atom 1: phi = 0.673838507015 TCL: Center of mass = 42.5488304561 -0.976873849012 -3.57503622584 TCL: atom 1: phi = 0.673347626756 TCL: Center of mass = 42.5519988537 -0.977121205991 -3.57506819702 TCL: atom 1: phi = 0.673138965688 TCL: Center of mass = 42.5551673884 -0.977361599147 -3.57509013632 TCL: atom 1: phi = 0.672694258592 TCL: Center of mass = 42.5583354534 -0.977610347874 -3.57511560117 TCL: atom 1: phi = 0.672383511482 TCL: Center of mass = 42.5615007429 -0.977867654258 -3.57513872177 TCL: atom 1: phi = 0.671730455659 TCL: Center of mass = 42.5646465593 -0.978136168202 -3.57518363353 TCL: atom 1: phi = 0.671191343115 TCL: Center of mass = 42.5677854437 -0.978415468227 -3.57523750369 TCL: atom 1: phi = 0.670325963091 TCL: Center of mass = 42.570938201 -0.978684297578 -3.57530528976 TCL: atom 1: phi = 0.669673991516 TCL: Center of mass = 42.5741015387 -0.978956461378 -3.57536254135 TCL: atom 1: phi = 0.668868621913 TCL: Center of mass = 42.5772652631 -0.979235568075 -3.57543130191 TCL: atom 1: phi = 0.668337190266 TCL: Center of mass = 42.5804205537 -0.979523917744 -3.57550201508 TCL: atom 1: phi = 0.667773045844 TCL: Center of mass = 42.5835663191 -0.97981490085 -3.57557038821 TCL: atom 1: phi = 0.667515031588 TCL: Center of mass = 42.5867125703 -0.980103294483 -3.57563710327 TCL: atom 1: phi = 0.667149216975 TCL: Center of mass = 42.5898749494 -0.980403694701 -3.57570652445 TCL: atom 1: phi = 0.666965425371 TCL: Center of mass = 42.5930519018 -0.980699405544 -3.57577534761 TCL: atom 1: phi = 0.666547682629 TCL: Center of mass = 42.596225729 -0.981002681985 -3.57584190754 TCL: atom 1: phi = 0.666247890948 TCL: Center of mass = 42.5994044123 -0.98131603077 -3.57590122389 TCL: atom 1: phi = 0.665689444764 TCL: Center of mass = 42.6025859694 -0.981633854332 -3.57596278324 TCL: atom 1: phi = 0.665211846038 TCL: Center of mass = 42.6057749836 -0.981959406202 -3.57602542386 TCL: atom 1: phi = 0.66454207069 TCL: Center of mass = 42.6089707162 -0.982302234308 -3.57608942255 TCL: atom 1: phi = 0.664044834068 TCL: Center of mass = 42.6121583784 -0.982645229009 -3.57615615342 TCL: atom 1: phi = 0.663477190711 TCL: Center of mass = 42.6153321992 -0.982989255064 -3.57623305486 TCL: atom 1: phi = 0.663195946409 TCL: Center of mass = 42.6185078192 -0.983332395058 -3.57631131321 TCL: atom 1: phi = 0.662839259133 TCL: Center of mass = 42.6216771304 -0.983658101634 -3.57638652125 TCL: atom 1: phi = 0.662710773856 TCL: Center of mass = 42.6248405237 -0.983987023587 -3.57646249911 TCL: atom 1: phi = 0.662448828 TCL: Center of mass = 42.6280040614 -0.984327373147 -3.57654029363 TCL: atom 1: phi = 0.662407489261 TCL: Center of mass = 42.6311747228 -0.984653940211 -3.57661731029 TCL: atom 1: phi = 0.662234136381 TCL: Center of mass = 42.6343440671 -0.984980128187 -3.57670084093 TCL: atom 1: phi = 0.662202358954 TCL: Center of mass = 42.6375208229 -0.985301212039 -3.5767820463 TCL: atom 1: phi = 0.66210160675 TCL: Center of mass = 42.6407102235 -0.985619743728 -3.57686735374 TCL: atom 1: phi = 0.66222424943 TCL: Center of mass = 42.6438974778 -0.985942327871 -3.57694344263 TCL: atom 1: phi = 0.662340773588 TCL: Center of mass = 42.64709453 -0.986261566326 -3.5770236912 TCL: atom 1: phi = 0.662755626638 TCL: Center of mass = 42.6503176126 -0.986585892591 -3.57710786258 TCL: atom 1: phi = 0.663198771933 TCL: Center of mass = 42.6535342117 -0.986907402854 -3.57718598796 TCL: atom 1: phi = 0.663951655184 TCL: Center of mass = 42.6567661921 -0.987233510001 -3.57726837157 TCL: atom 1: phi = 0.664627088703 TCL: Center of mass = 42.6599944933 -0.987564420112 -3.57735607598 TCL: atom 1: phi = 0.665495656628 TCL: Center of mass = 42.6632265805 -0.987899214579 -3.57744846247 TCL: atom 1: phi = 0.666136913376 TCL: Center of mass = 42.6664675114 -0.988229218675 -3.57753988469 TCL: atom 1: phi = 0.66686307723 TCL: Center of mass = 42.6697059738 -0.988557594522 -3.57762866245 TCL: atom 1: phi = 0.667408056347 TCL: Center of mass = 42.6729478784 -0.988885020758 -3.57772394927 TCL: atom 1: phi = 0.668147100025 TCL: Center of mass = 42.6761985146 -0.989223615383 -3.57782031572 TCL: atom 1: phi = 0.668736802914 TCL: Center of mass = 42.6794493666 -0.989554813571 -3.57790943097 TCL: atom 1: phi = 0.669566479471 TCL: Center of mass = 42.6826945948 -0.989890889547 -3.57800172305 TCL: atom 1: phi = 0.670262188943 TCL: Center of mass = 42.6859354276 -0.990216831303 -3.57808149299 TCL: atom 1: phi = 0.671162198054 TCL: Center of mass = 42.6891716497 -0.990543353048 -3.57815882412 TCL: atom 1: phi = 0.67186176027 TCL: Center of mass = 42.6924170471 -0.990862345569 -3.57823135895 TCL: atom 1: phi = 0.672672973567 TCL: Center of mass = 42.6956793116 -0.991175242379 -3.57829691652 TCL: atom 1: phi = 0.673227305925 TCL: Center of mass = 42.6989488716 -0.991489566829 -3.5783624329 TCL: atom 1: phi = 0.673967071372 TCL: Center of mass = 42.7022272796 -0.991799767288 -3.5784213611 TCL: atom 1: phi = 0.674486610313 TCL: Center of mass = 42.7055090172 -0.992110002746 -3.5784839597 TCL: atom 1: phi = 0.675272250839 TCL: Center of mass = 42.7087924307 -0.992429922806 -3.57856262841 TCL: atom 1: phi = 0.6759567176 TCL: Center of mass = 42.7120681097 -0.992745518494 -3.57865252979 TCL: atom 1: phi = 0.677019949417 TCL: Center of mass = 42.7153533459 -0.993067808394 -3.57874839507 TCL: atom 1: phi = 0.67801593683 TCL: Center of mass = 42.7186435763 -0.993392008829 -3.57884164982 TCL: atom 1: phi = 0.679333375142 TCL: Center of mass = 42.7219348706 -0.993729459211 -3.57892905802 TCL: atom 1: phi = 0.680427824237 TCL: Center of mass = 42.7252397449 -0.994084008432 -3.57901235715 TCL: atom 1: phi = 0.681730926049 TCL: Center of mass = 42.7285370435 -0.994435555859 -3.5790937207 TCL: atom 1: phi = 0.682678890596 TCL: Center of mass = 42.7318417814 -0.994788580961 -3.57917148464 TCL: atom 1: phi = 0.683772163558 TCL: Center of mass = 42.7351469994 -0.995134284848 -3.57925141225 TCL: atom 1: phi = 0.684528584352 TCL: Center of mass = 42.7384418045 -0.995488121304 -3.57933508217 TCL: atom 1: phi = 0.685494376737 TCL: Center of mass = 42.7417466473 -0.995830019256 -3.57943059229 TCL: atom 1: phi = 0.686118206111 TCL: Center of mass = 42.745066074 -0.996164154012 -3.57952726758 TCL: atom 1: phi = 0.68694105623 TCL: Center of mass = 42.7483837301 -0.99649974768 -3.57962470432 TCL: atom 1: phi = 0.687480883125 TCL: Center of mass = 42.7517126761 -0.996836089877 -3.57972000025 TCL: atom 1: phi = 0.688258105709 TIMING: 14700 CPU: 2521.7, 0.172434/step Wall: 3082.8, 0.21125/step, 0.311007 hours remaining, 22051 kB of memory in use. ENERGY: 14700 383.8306 682.1969 432.5089 44.1321 -2788.0435 -222.2697 0.0000 0.0000 1169.9919 -297.6529 318.8555 -289.4556 -288.0715 314.6572 593.8899 814.7400 64000.0000 912.2404 916.3995 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14700 WRITING COORDINATES TO DCD FILE AT STEP 14700 WRITING COORDINATES TO RESTART FILE AT STEP 14700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 42.7550447677 -0.997166284669 -3.57982360922 TCL: atom 1: phi = 0.688695410439 TCL: Center of mass = 42.7583839473 -0.997495842991 -3.57991750906 TCL: atom 1: phi = 0.689338738675 TCL: Center of mass = 42.7617255491 -0.997820476158 -3.58001255203 TCL: atom 1: phi = 0.689576852704 TCL: Center of mass = 42.7650698444 -0.998142114362 -3.58011985547 TCL: atom 1: phi = 0.690001660013 TCL: Center of mass = 42.7684194 -0.998459508001 -3.58022586534 TCL: atom 1: phi = 0.69006772181 TCL: Center of mass = 42.7717528918 -0.998767924171 -3.5803303234 TCL: atom 1: phi = 0.690432916329 TCL: Center of mass = 42.7750895654 -0.999089523038 -3.58043650191 TCL: atom 1: phi = 0.690539305332 TCL: Center of mass = 42.7784142734 -0.999402425355 -3.58055450187 TCL: atom 1: phi = 0.691028714277 TCL: Center of mass = 42.7817539055 -0.999709258245 -3.58066061054 TCL: atom 1: phi = 0.691252548314 TCL: Center of mass = 42.785085677 -1.00000742884 -3.58076159005 TCL: atom 1: phi = 0.691763734981 TCL: Center of mass = 42.7884157485 -1.00030230555 -3.58086689725 TCL: atom 1: phi = 0.69190647487 TCL: Center of mass = 42.79175172 -1.00059463167 -3.58096551359 TCL: atom 1: phi = 0.692184561908 TCL: Center of mass = 42.795087698 -1.000893063 -3.58106551205 TCL: atom 1: phi = 0.69200960894 TCL: Center of mass = 42.7984077316 -1.00119872744 -3.58115885751 TCL: atom 1: phi = 0.691971059344 TCL: Center of mass = 42.8017211003 -1.00151453963 -3.5812622602 TCL: atom 1: phi = 0.691478059648 TCL: Center of mass = 42.805030264 -1.00181519281 -3.58137496387 TCL: atom 1: phi = 0.69116244142 TCL: Center of mass = 42.8083435554 -1.00211994031 -3.58148712775 TCL: atom 1: phi = 0.690416667368 TCL: Center of mass = 42.8116611392 -1.00241708731 -3.58160365556 TCL: atom 1: phi = 0.68991615724 TCL: Center of mass = 42.814979919 -1.00272072249 -3.58172563017 TCL: atom 1: phi = 0.689065159135 TCL: Center of mass = 42.8182887381 -1.00303798816 -3.5818434981 TCL: atom 1: phi = 0.688394028298 TCL: Center of mass = 42.8216006109 -1.00335313711 -3.58195631793 TCL: atom 1: phi = 0.687426758962 TCL: Center of mass = 42.8249097775 -1.0036722883 -3.58206922661 TCL: atom 1: phi = 0.686747158989 TCL: Center of mass = 42.828214915 -1.00398783775 -3.58216976135 TCL: atom 1: phi = 0.685795448645 TCL: Center of mass = 42.8315111711 -1.0043077752 -3.5822687592 TCL: atom 1: phi = 0.685126515001 TCL: Center of mass = 42.8347971309 -1.00464597162 -3.58236862114 TCL: atom 1: phi = 0.684241829446 TCL: Center of mass = 42.8380901532 -1.0049858708 -3.58247284442 TCL: atom 1: phi = 0.683688182491 TCL: Center of mass = 42.841374688 -1.00532432238 -3.58258271391 TCL: atom 1: phi = 0.682974161806 TCL: Center of mass = 42.8446735192 -1.00564917468 -3.58270133567 TCL: atom 1: phi = 0.682592560345 TCL: Center of mass = 42.8479755578 -1.00597229101 -3.582818706 TCL: atom 1: phi = 0.682030007059 TCL: Center of mass = 42.8512821456 -1.00629435082 -3.5829414774 TCL: atom 1: phi = 0.681796983501 TCL: Center of mass = 42.8545762895 -1.00660259042 -3.58305993311 TCL: atom 1: phi = 0.681359176503 TCL: Center of mass = 42.857879218 -1.0069106012 -3.58317691841 TCL: atom 1: phi = 0.681170372312 TCL: Center of mass = 42.8611794957 -1.00722448077 -3.58329875145 TCL: atom 1: phi = 0.68070310134 TCL: Center of mass = 42.8644866139 -1.0075439888 -3.58340094726 TCL: atom 1: phi = 0.680447620655 TCL: Center of mass = 42.8678006484 -1.00787578368 -3.58350934652 TCL: atom 1: phi = 0.679957305088 TCL: Center of mass = 42.8711158907 -1.0082206237 -3.58361405087 TCL: atom 1: phi = 0.679640969477 TCL: Center of mass = 42.8744326987 -1.00856082204 -3.58370277678 TCL: atom 1: phi = 0.679099175849 TCL: Center of mass = 42.8777660198 -1.00889163579 -3.58379545107 TCL: atom 1: phi = 0.678753419815 TCL: Center of mass = 42.8810932482 -1.00922835775 -3.58388431251 TCL: atom 1: phi = 0.678266687624 TCL: Center of mass = 42.884417922 -1.00955528583 -3.58397123183 TCL: atom 1: phi = 0.67809831249 TCL: Center of mass = 42.8877495516 -1.0098814064 -3.58406366259 TCL: atom 1: phi = 0.677833550958 TCL: Center of mass = 42.891076007 -1.01020027473 -3.58414681302 TCL: atom 1: phi = 0.677950796047 TCL: Center of mass = 42.8943897972 -1.01052574521 -3.58422825264 TCL: atom 1: phi = 0.678125439062 TCL: Center of mass = 42.8977051362 -1.01084584773 -3.58431987569 TCL: atom 1: phi = 0.678703308157 TCL: Center of mass = 42.9010213816 -1.01116590518 -3.58440949677 TCL: atom 1: phi = 0.679252346746 TCL: Center of mass = 42.9043487044 -1.01149199934 -3.58448595444 TCL: atom 1: phi = 0.680131954609 TCL: Center of mass = 42.9076797787 -1.01181898081 -3.58457414555 TCL: atom 1: phi = 0.680948160859 TCL: Center of mass = 42.911000314 -1.01213815801 -3.58465883263 TCL: atom 1: phi = 0.682069019311 TCL: Center of mass = 42.9143234227 -1.0124611433 -3.58475303726 TCL: atom 1: phi = 0.683022003863 TCL: Center of mass = 42.9176497547 -1.01278149282 -3.58484956486 TCL: atom 1: phi = 0.684291672365 TCL: Center of mass = 42.9209804619 -1.01308946654 -3.58493562772 TCL: atom 1: phi = 0.685412365669 TCL: Center of mass = 42.9243078529 -1.01340541207 -3.58501680485 TCL: atom 1: phi = 0.686704385763 TCL: Center of mass = 42.9276459542 -1.01373397429 -3.58509555126 TCL: atom 1: phi = 0.687656474818 TCL: Center of mass = 42.930990904 -1.01405535403 -3.58517878595 TCL: atom 1: phi = 0.688697478645 TCL: Center of mass = 42.9343265462 -1.01437256265 -3.58526674926 TCL: atom 1: phi = 0.689328499119 TCL: Center of mass = 42.9376509194 -1.0146953589 -3.58535678672 TCL: atom 1: phi = 0.689977839279 TCL: Center of mass = 42.9409682816 -1.01502427673 -3.58543836364 TCL: atom 1: phi = 0.690100712356 TCL: Center of mass = 42.9442789655 -1.01536108413 -3.58551528149 TCL: atom 1: phi = 0.690223354229 TCL: Center of mass = 42.9475948196 -1.01569629244 -3.58560933268 TCL: atom 1: phi = 0.689879824902 TCL: Center of mass = 42.9509106676 -1.01602918148 -3.58569892748 TCL: atom 1: phi = 0.68965757503 TCL: Center of mass = 42.9542278078 -1.01636296038 -3.58577610732 TCL: atom 1: phi = 0.689152805571 TCL: Center of mass = 42.9575508132 -1.01669557967 -3.58584455954 TCL: atom 1: phi = 0.688864056926 TCL: Center of mass = 42.9608746428 -1.01703270699 -3.58592743244 TCL: atom 1: phi = 0.688409467158 TCL: Center of mass = 42.9642118318 -1.0173690504 -3.58601075531 TCL: atom 1: phi = 0.688275686075 TCL: Center of mass = 42.9675593547 -1.0177111001 -3.58609379666 TCL: atom 1: phi = 0.68798340481 TCL: Center of mass = 42.9708913708 -1.01804694798 -3.5861848637 TCL: atom 1: phi = 0.68794666636 TCL: Center of mass = 42.974229078 -1.01839487076 -3.58627669273 TCL: atom 1: phi = 0.687671457317 TCL: Center of mass = 42.9775649824 -1.01874117767 -3.5863680587 TCL: atom 1: phi = 0.687614662445 TCL: Center of mass = 42.9808913833 -1.01908569269 -3.58646086651 TCL: atom 1: phi = 0.687323810371 TCL: Center of mass = 42.9842092197 -1.01943309513 -3.58654723058 TCL: atom 1: phi = 0.68723398127 TCL: Center of mass = 42.987527605 -1.01978387388 -3.5866253719 TCL: atom 1: phi = 0.686918945638 TCL: Center of mass = 42.9908429595 -1.0201304705 -3.58670849794 TCL: atom 1: phi = 0.68678134001 TCL: Center of mass = 42.9941538415 -1.02047937577 -3.58679195083 TCL: atom 1: phi = 0.686449715831 TCL: Center of mass = 42.9974616025 -1.02081681651 -3.58687030843 TCL: atom 1: phi = 0.686233609154 TCL: Center of mass = 43.000777045 -1.02116308348 -3.58694730005 TCL: atom 1: phi = 0.685746622312 TCL: Center of mass = 43.0040957485 -1.02150703585 -3.58702935458 TCL: atom 1: phi = 0.685340464816 TCL: Center of mass = 43.0074189403 -1.02185704537 -3.5871179805 TCL: atom 1: phi = 0.684634429086 TCL: Center of mass = 43.0107421108 -1.0222112622 -3.58721096479 TCL: atom 1: phi = 0.684023401589 TCL: Center of mass = 43.0140503947 -1.02256029582 -3.58730577104 TCL: atom 1: phi = 0.683151461396 TCL: Center of mass = 43.0173651528 -1.02291164734 -3.58740498798 TCL: atom 1: phi = 0.682491653383 TCL: Center of mass = 43.0206673842 -1.02326413918 -3.58749686613 TCL: atom 1: phi = 0.681735670074 TCL: Center of mass = 43.0239752974 -1.02362719399 -3.58758169725 TCL: atom 1: phi = 0.681284812644 TCL: Center of mass = 43.0272697394 -1.02399116259 -3.58766113693 TCL: atom 1: phi = 0.680898621436 TCL: Center of mass = 43.0305746948 -1.02434135291 -3.58774326674 TCL: atom 1: phi = 0.68087704737 TCL: Center of mass = 43.0338871085 -1.02469468098 -3.58784088952 TCL: atom 1: phi = 0.680952016814 TCL: Center of mass = 43.037201289 -1.0250472517 -3.58794264858 TCL: atom 1: phi = 0.68138548836 TCL: Center of mass = 43.0405150315 -1.02539097486 -3.58804116189 TCL: atom 1: phi = 0.681803027843 TCL: Center of mass = 43.0438261823 -1.02573788318 -3.58813787673 TCL: atom 1: phi = 0.682475640482 TCL: Center of mass = 43.0471258357 -1.02609012807 -3.58823182213 TCL: atom 1: phi = 0.683031806656 TCL: Center of mass = 43.0504252897 -1.02643822203 -3.5883243805 TCL: atom 1: phi = 0.683800002216 TCL: Center of mass = 43.0537293835 -1.02678773266 -3.58841642917 TCL: atom 1: phi = 0.684430716496 TCL: Center of mass = 43.0570358381 -1.02714374407 -3.5885025514 TCL: atom 1: phi = 0.685200818855 TCL: Center of mass = 43.0603273941 -1.02749535385 -3.58858009272 TCL: atom 1: phi = 0.68580404155 TCL: Center of mass = 43.063625823 -1.02784754595 -3.58866548828 TCL: atom 1: phi = 0.686554633642 TCL: Center of mass = 43.0669031364 -1.02820038544 -3.58875388326 TCL: atom 1: phi = 0.68706452582 TCL: Center of mass = 43.0701720879 -1.0285471794 -3.5888367717 TCL: atom 1: phi = 0.687588265681 TCL: Center of mass = 43.0734346719 -1.02889557257 -3.58892543143 TCL: atom 1: phi = 0.687708731149 TCL: Center of mass = 43.0766994214 -1.02923571597 -3.58901178219 TCL: atom 1: phi = 0.687752944996 TCL: Center of mass = 43.0799618825 -1.02958411504 -3.58909541736 TCL: atom 1: phi = 0.687363201145 TCL: Center of mass = 43.0832196962 -1.02992689238 -3.5891800641 TCL: atom 1: phi = 0.686985475972 TIMING: 14800 CPU: 2539, 0.173004/step Wall: 3103.9, 0.210997/step, 0.304773 hours remaining, 22051 kB of memory in use. ENERGY: 14800 402.7871 705.3846 400.1976 44.2248 -2767.6656 -226.4245 0.0000 0.0000 1148.5870 -292.9091 313.0221 -283.7565 -286.1202 317.1951 1027.2710 1080.2169 64000.0000 902.0185 904.2387 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14800 WRITING COORDINATES TO DCD FILE AT STEP 14800 WRITING COORDINATES TO RESTART FILE AT STEP 14800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 43.0864651717 -1.03026440481 -3.58925973865 TCL: atom 1: phi = 0.686337789518 TCL: Center of mass = 43.0897157929 -1.03060283988 -3.58932827892 TCL: atom 1: phi = 0.685847891574 TCL: Center of mass = 43.092963176 -1.03094630356 -3.58940579012 TCL: atom 1: phi = 0.685180454172 TCL: Center of mass = 43.0962138284 -1.03129172177 -3.58948903326 TCL: atom 1: phi = 0.684842706533 TCL: Center of mass = 43.0994737412 -1.03163059213 -3.58957523617 TCL: atom 1: phi = 0.68446502532 TCL: Center of mass = 43.1027333229 -1.03197218625 -3.58966443821 TCL: atom 1: phi = 0.684399594381 TCL: Center of mass = 43.105987359 -1.03231094069 -3.58976342301 TCL: atom 1: phi = 0.684219553102 TCL: Center of mass = 43.109253763 -1.03265525969 -3.58987047258 TCL: atom 1: phi = 0.684213844586 TCL: Center of mass = 43.1125119636 -1.03299875042 -3.58997666605 TCL: atom 1: phi = 0.684088684967 TCL: Center of mass = 43.115772501 -1.03333588214 -3.59007895418 TCL: atom 1: phi = 0.684234994551 TCL: Center of mass = 43.1190283065 -1.03367666568 -3.59017948707 TCL: atom 1: phi = 0.684246928637 TCL: Center of mass = 43.1222702046 -1.03402043526 -3.59026991729 TCL: atom 1: phi = 0.684510380067 TCL: Center of mass = 43.1255118613 -1.0343648849 -3.59036236285 TCL: atom 1: phi = 0.684749407723 TCL: Center of mass = 43.1287585598 -1.03471453723 -3.59046696318 TCL: atom 1: phi = 0.68531643324 TCL: Center of mass = 43.1320022476 -1.0350588724 -3.59057306839 TCL: atom 1: phi = 0.685785350941 TCL: Center of mass = 43.1352436763 -1.03539053872 -3.59068108015 TCL: atom 1: phi = 0.686473395232 TCL: Center of mass = 43.138489391 -1.0357206519 -3.59077435772 TCL: atom 1: phi = 0.686946983627 TCL: Center of mass = 43.141744342 -1.036057922 -3.59087125107 TCL: atom 1: phi = 0.68749887151 TCL: Center of mass = 43.1449943675 -1.03638672249 -3.59096708289 TCL: atom 1: phi = 0.687759465678 TCL: Center of mass = 43.1482350601 -1.03671745324 -3.59106551215 TCL: atom 1: phi = 0.688103946031 TCL: Center of mass = 43.1514739843 -1.03705229262 -3.59116424061 TCL: atom 1: phi = 0.688216593715 TCL: Center of mass = 43.1547133924 -1.0373975851 -3.59125721732 TCL: atom 1: phi = 0.688568812872 TCL: Center of mass = 43.1579506631 -1.03775666368 -3.59134375131 TCL: atom 1: phi = 0.688934435413 TCL: Center of mass = 43.161196349 -1.0381220439 -3.59142848498 TCL: atom 1: phi = 0.689706773372 TCL: Center of mass = 43.1644552293 -1.03848009933 -3.59151960199 TCL: atom 1: phi = 0.690481030479 TCL: Center of mass = 43.1677150627 -1.03883729447 -3.59161790852 TCL: atom 1: phi = 0.69158819964 TCL: Center of mass = 43.1709849096 -1.03920159341 -3.59172082092 TCL: atom 1: phi = 0.692628767186 TCL: Center of mass = 43.1742574797 -1.03955992234 -3.59180918869 TCL: atom 1: phi = 0.693823058548 TCL: Center of mass = 43.1775341402 -1.03992666453 -3.59188663788 TCL: atom 1: phi = 0.694762660745 TCL: Center of mass = 43.1808133552 -1.04029178312 -3.5919552787 TCL: atom 1: phi = 0.695820350503 TCL: Center of mass = 43.1840972344 -1.0406460156 -3.59204104898 TCL: atom 1: phi = 0.696579366501 TCL: Center of mass = 43.1873876804 -1.04100092843 -3.59212622183 TCL: atom 1: phi = 0.69746882672 TCL: Center of mass = 43.1906810485 -1.04136617024 -3.59220608168 TCL: atom 1: phi = 0.698069328221 TCL: Center of mass = 43.1939779249 -1.04174218528 -3.59228112304 TCL: atom 1: phi = 0.698811240583 TCL: Center of mass = 43.1972786991 -1.04210380893 -3.59236013348 TCL: atom 1: phi = 0.699212545831 TCL: Center of mass = 43.2005851206 -1.04247253112 -3.59244182295 TCL: atom 1: phi = 0.699679566887 TCL: Center of mass = 43.2038951874 -1.04284668201 -3.59253173072 TCL: atom 1: phi = 0.69970394087 TCL: Center of mass = 43.2072070697 -1.04323100451 -3.5926229354 TCL: atom 1: phi = 0.699656683882 TCL: Center of mass = 43.2105125759 -1.04362166729 -3.59270932479 TCL: atom 1: phi = 0.699080528566 TCL: Center of mass = 43.2138200281 -1.04399810768 -3.59280414868 TCL: atom 1: phi = 0.698483346964 TCL: Center of mass = 43.2171159093 -1.04437140038 -3.5928918595 TCL: atom 1: phi = 0.697462620525 TCL: Center of mass = 43.2204193745 -1.04475298108 -3.5929673652 TCL: atom 1: phi = 0.696634652801 TCL: Center of mass = 43.2237293003 -1.0451214134 -3.59303502099 TCL: atom 1: phi = 0.695698961455 TCL: Center of mass = 43.2270449223 -1.04549665245 -3.59310503835 TCL: atom 1: phi = 0.695160519625 TCL: Center of mass = 43.2303605591 -1.04587369826 -3.59318314697 TCL: atom 1: phi = 0.69454876972 TCL: Center of mass = 43.2336725406 -1.04624592223 -3.59325818686 TCL: atom 1: phi = 0.694269632482 TCL: Center of mass = 43.2369966865 -1.04661207832 -3.59333227755 TCL: atom 1: phi = 0.693848536721 TCL: Center of mass = 43.240318881 -1.04696622518 -3.59341266972 TCL: atom 1: phi = 0.693567331355 TCL: Center of mass = 43.243631787 -1.04731368071 -3.59349508923 TCL: atom 1: phi = 0.693036045371 TCL: Center of mass = 43.2469356953 -1.0476538914 -3.59358612483 TCL: atom 1: phi = 0.692635202197 TCL: Center of mass = 43.2502446899 -1.04799966281 -3.59368341933 TCL: atom 1: phi = 0.691985239693 TCL: Center of mass = 43.2535576033 -1.04835142723 -3.59378780418 TCL: atom 1: phi = 0.691606329157 TCL: Center of mass = 43.2568651543 -1.04871295619 -3.59390972058 TCL: atom 1: phi = 0.691137951297 TCL: Center of mass = 43.2601857061 -1.04906939285 -3.59402398524 TCL: atom 1: phi = 0.691020426371 TCL: Center of mass = 43.2635003604 -1.04941968968 -3.59414445777 TCL: atom 1: phi = 0.690862996059 TCL: Center of mass = 43.2668125949 -1.04976683209 -3.59425864665 TCL: atom 1: phi = 0.691014388763 TCL: Center of mass = 43.2701131023 -1.05010770139 -3.59436247823 TCL: atom 1: phi = 0.690958922128 TCL: Center of mass = 43.2734167006 -1.05043969011 -3.59446114778 TCL: atom 1: phi = 0.691077155933 TCL: Center of mass = 43.2767255919 -1.05077005728 -3.59456178699 TCL: atom 1: phi = 0.69092153814 TCL: Center of mass = 43.2800488068 -1.05111348216 -3.59465957729 TCL: atom 1: phi = 0.690940245656 TCL: Center of mass = 43.2833605818 -1.05146337366 -3.59477019813 TCL: atom 1: phi = 0.690745396393 TCL: Center of mass = 43.286674076 -1.0518061495 -3.59488019893 TCL: atom 1: phi = 0.690929730402 TCL: Center of mass = 43.2899842323 -1.05215569954 -3.59499289381 TCL: atom 1: phi = 0.69116795842 TCL: Center of mass = 43.2932965457 -1.05250671368 -3.59509835598 TCL: atom 1: phi = 0.691957705336 TCL: Center of mass = 43.2966067692 -1.05287129081 -3.59520824325 TCL: atom 1: phi = 0.692870260029 TCL: Center of mass = 43.2999142044 -1.05323703251 -3.59531538684 TCL: atom 1: phi = 0.694331471879 TCL: Center of mass = 43.3032287923 -1.05361092084 -3.59542269149 TCL: atom 1: phi = 0.695707702375 TCL: Center of mass = 43.3065209557 -1.05398161364 -3.59553206421 TCL: atom 1: phi = 0.697391579313 TCL: Center of mass = 43.3098302329 -1.05435382098 -3.59564355721 TCL: atom 1: phi = 0.698687958345 TCL: Center of mass = 43.3131301012 -1.05472936828 -3.59574832333 TCL: atom 1: phi = 0.700107807022 TCL: Center of mass = 43.3164202963 -1.05510787968 -3.59586012135 TCL: atom 1: phi = 0.701076954347 TCL: Center of mass = 43.3197187634 -1.05549493698 -3.595968151 TCL: atom 1: phi = 0.702230762006 TCL: Center of mass = 43.3230204273 -1.05587499891 -3.59608633147 TCL: atom 1: phi = 0.702977227763 TCL: Center of mass = 43.3263165863 -1.05625174696 -3.59620119653 TCL: atom 1: phi = 0.703926559075 TCL: Center of mass = 43.3296190695 -1.05663370874 -3.59630325999 TCL: atom 1: phi = 0.704396983384 TCL: Center of mass = 43.3329130682 -1.05701080878 -3.59640486031 TCL: atom 1: phi = 0.704992841973 TCL: Center of mass = 43.3362115643 -1.05737866568 -3.59651560867 TCL: atom 1: phi = 0.705034014964 TCL: Center of mass = 43.3395069065 -1.05776193064 -3.59662785558 TCL: atom 1: phi = 0.705092761553 TCL: Center of mass = 43.3427995156 -1.05813900966 -3.59673507789 TCL: atom 1: phi = 0.704438481534 TCL: Center of mass = 43.3461022389 -1.05852030609 -3.59684239284 TCL: atom 1: phi = 0.703807125649 TCL: Center of mass = 43.349408266 -1.05888378128 -3.59695712356 TCL: atom 1: phi = 0.702518579129 TCL: Center of mass = 43.352716771 -1.05925778101 -3.59708036219 TCL: atom 1: phi = 0.701368691865 TCL: Center of mass = 43.3560381538 -1.05962953485 -3.59721472315 TCL: atom 1: phi = 0.699920619888 TCL: Center of mass = 43.3593550461 -1.06000555783 -3.59735124663 TCL: atom 1: phi = 0.698921061328 TCL: Center of mass = 43.3626694071 -1.06038823582 -3.59750229194 TCL: atom 1: phi = 0.697876274155 TCL: Center of mass = 43.3659919548 -1.06076867933 -3.59764407762 TCL: atom 1: phi = 0.697403599322 TCL: Center of mass = 43.3693122296 -1.06114475586 -3.59779057834 TCL: atom 1: phi = 0.696835028929 TCL: Center of mass = 43.3726380882 -1.0615227686 -3.5979362623 TCL: atom 1: phi = 0.696651065284 TCL: Center of mass = 43.3759660816 -1.06189762053 -3.59807245113 TCL: atom 1: phi = 0.696172352543 TCL: Center of mass = 43.3793018684 -1.06227047161 -3.59821444669 TCL: atom 1: phi = 0.695963565676 TCL: Center of mass = 43.3826376987 -1.0626395124 -3.59835655388 TCL: atom 1: phi = 0.695506290132 TCL: Center of mass = 43.3859662437 -1.06302084896 -3.59849856336 TCL: atom 1: phi = 0.695363561407 TCL: Center of mass = 43.3892932034 -1.06341050141 -3.59865190612 TCL: atom 1: phi = 0.695049371847 TCL: Center of mass = 43.392613249 -1.06381127033 -3.59881319934 TCL: atom 1: phi = 0.695136252336 TCL: Center of mass = 43.3959384934 -1.06420800412 -3.59898551414 TCL: atom 1: phi = 0.695150156173 TCL: Center of mass = 43.399260147 -1.06460827035 -3.59916142124 TCL: atom 1: phi = 0.695545653812 TCL: Center of mass = 43.4025813002 -1.06502142342 -3.59933871625 TCL: atom 1: phi = 0.695772523095 TCL: Center of mass = 43.4058967636 -1.06542607263 -3.59951338764 TCL: atom 1: phi = 0.696237976329 TCL: Center of mass = 43.4092175534 -1.06583039352 -3.59967770791 TCL: atom 1: phi = 0.696387403545 TCL: Center of mass = 43.4125377271 -1.066228341 -3.59983915276 TCL: atom 1: phi = 0.696711575668 TIMING: 14900 CPU: 2556.33, 0.173344/step Wall: 3124.98, 0.210777/step, 0.2986 hours remaining, 22051 kB of memory in use. ENERGY: 14900 395.5373 709.4939 425.6591 44.9808 -2809.9523 -200.1758 0.0000 0.0000 1142.2944 -292.1626 311.3072 -283.2849 -284.5104 314.6349 1020.0172 1085.9237 64000.0000 1069.5947 1070.0789 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 14900 WRITING COORDINATES TO DCD FILE AT STEP 14900 WRITING COORDINATES TO RESTART FILE AT STEP 14900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 14900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 43.4158643879 -1.06662700868 -3.59999597217 TCL: atom 1: phi = 0.696710336987 TCL: Center of mass = 43.419196883 -1.06702699846 -3.60013582188 TCL: atom 1: phi = 0.69699275612 TCL: Center of mass = 43.4225183637 -1.06742427217 -3.6002669404 TCL: atom 1: phi = 0.697095781305 TCL: Center of mass = 43.4258407275 -1.06781006613 -3.60039980674 TCL: atom 1: phi = 0.697688113875 TCL: Center of mass = 43.4291535255 -1.06817779512 -3.60054068146 TCL: atom 1: phi = 0.698289037567 TCL: Center of mass = 43.4324609398 -1.0685429269 -3.60067798809 TCL: atom 1: phi = 0.699427046145 TCL: Center of mass = 43.4357713551 -1.06890153405 -3.60081473735 TCL: atom 1: phi = 0.700494547152 TCL: Center of mass = 43.4390811824 -1.06926643885 -3.60095649851 TCL: atom 1: phi = 0.701887341078 TCL: Center of mass = 43.4423823218 -1.06962881447 -3.60111138002 TCL: atom 1: phi = 0.702931530307 TCL: Center of mass = 43.4456878142 -1.06999106545 -3.60126839542 TCL: atom 1: phi = 0.70411035074 TCL: Center of mass = 43.4489984956 -1.070354977 -3.60144203861 TCL: atom 1: phi = 0.704801273445 TCL: Center of mass = 43.4522987575 -1.0707209496 -3.60161078441 TCL: atom 1: phi = 0.705558316458 TCL: Center of mass = 43.4555960375 -1.07107633406 -3.60177914869 TCL: atom 1: phi = 0.705882878045 TCL: Center of mass = 43.4588912072 -1.07142885415 -3.60194608047 TCL: atom 1: phi = 0.70639653966 TCL: Center of mass = 43.462191292 -1.0717791821 -3.6021207963 TCL: atom 1: phi = 0.706577480187 TCL: Center of mass = 43.4655034844 -1.0721285365 -3.60229879628 TCL: atom 1: phi = 0.707052492224 TCL: Center of mass = 43.4688068924 -1.07247522428 -3.60246356602 TCL: atom 1: phi = 0.707234869496 TCL: Center of mass = 43.4721030898 -1.07281871281 -3.602634124 TCL: atom 1: phi = 0.707630822153 TCL: Center of mass = 43.475401006 -1.07315200825 -3.60280917134 TCL: atom 1: phi = 0.707599130406 TCL: Center of mass = 43.4786975302 -1.07349610695 -3.60298426569 TCL: atom 1: phi = 0.707671585637 TCL: Center of mass = 43.4819866301 -1.07383771031 -3.60316050415 TCL: atom 1: phi = 0.707348753818 TCL: Center of mass = 43.4852720476 -1.07417303969 -3.60334826427 TCL: atom 1: phi = 0.707200541724 TCL: Center of mass = 43.4885522292 -1.0745113683 -3.603540235 TCL: atom 1: phi = 0.706855240972 TCL: Center of mass = 43.4918260345 -1.07484786907 -3.60373556617 TCL: atom 1: phi = 0.706842651482 TCL: Center of mass = 43.4950920945 -1.07518710447 -3.60392447505 TCL: atom 1: phi = 0.706821882804 TCL: Center of mass = 43.4983599871 -1.07552564926 -3.60412156117 TCL: atom 1: phi = 0.707273147748 TCL: Center of mass = 43.501630026 -1.07585788088 -3.60432008877 TCL: atom 1: phi = 0.707807775923 TCL: Center of mass = 43.504910141 -1.07618837985 -3.60453029315 TCL: atom 1: phi = 0.70879126413 TCL: Center of mass = 43.5081945839 -1.07652188581 -3.60474971564 TCL: atom 1: phi = 0.709688685305 TCL: Center of mass = 43.5114748387 -1.07687560075 -3.60496598291 TCL: atom 1: phi = 0.710858613241 TCL: Center of mass = 43.5147428372 -1.07722717335 -3.60517734267 TCL: atom 1: phi = 0.71167125729 TCL: Center of mass = 43.5180110713 -1.07757627381 -3.60539048907 TCL: atom 1: phi = 0.712618826165 TCL: Center of mass = 43.5212820289 -1.07791648803 -3.60558973 TCL: atom 1: phi = 0.713261728791 TCL: Center of mass = 43.524574944 -1.0782641687 -3.60578751442 TCL: atom 1: phi = 0.714162767584 TCL: Center of mass = 43.5278710679 -1.07861625383 -3.6059776451 TCL: atom 1: phi = 0.714853005991 TCL: Center of mass = 43.531166647 -1.07897119139 -3.60617242695 TCL: atom 1: phi = 0.715861030489 TCL: Center of mass = 43.5344689138 -1.07932395104 -3.60637319175 TCL: atom 1: phi = 0.716632834296 TCL: Center of mass = 43.5377550774 -1.07967788696 -3.60656901021 TCL: atom 1: phi = 0.717658946438 TCL: Center of mass = 43.5410530046 -1.08003861809 -3.60675052293 TCL: atom 1: phi = 0.718323866118 TCL: Center of mass = 43.5443549925 -1.08040011969 -3.60694297325 TCL: atom 1: phi = 0.719145704646 TCL: Center of mass = 43.5476633717 -1.08075879723 -3.6071380872 TCL: atom 1: phi = 0.719455896279 TCL: Center of mass = 43.5509713633 -1.08112301854 -3.60732341284 TCL: atom 1: phi = 0.719892231023 TCL: Center of mass = 43.5542747484 -1.08147997622 -3.60750747298 TCL: atom 1: phi = 0.719813076193 TCL: Center of mass = 43.557582979 -1.08182322539 -3.60768445253 TCL: atom 1: phi = 0.719957717133 TCL: Center of mass = 43.5608863 -1.08217273623 -3.60786588761 TCL: atom 1: phi = 0.719786593409 TCL: Center of mass = 43.5641859291 -1.08251732139 -3.60804912552 TCL: atom 1: phi = 0.7199453417 TCL: Center of mass = 43.567493062 -1.08285848481 -3.60822626393 TCL: atom 1: phi = 0.719882184644 TCL: Center of mass = 43.570801741 -1.08320370618 -3.60841182423 TCL: atom 1: phi = 0.720107019312 TCL: Center of mass = 43.5741126591 -1.08354750855 -3.60859138461 TCL: atom 1: phi = 0.719984872182 TCL: Center of mass = 43.5774317525 -1.083892248 -3.60876769156 TCL: atom 1: phi = 0.719999628923 TCL: Center of mass = 43.580751116 -1.08424028044 -3.60894451001 TCL: atom 1: phi = 0.71955592063 TCL: Center of mass = 43.5840765172 -1.08459649103 -3.60911600951 TCL: atom 1: phi = 0.719187924425 TCL: Center of mass = 43.5874047955 -1.08495104146 -3.60928548131 TCL: atom 1: phi = 0.718363909806 TCL: Center of mass = 43.5907275812 -1.08530137597 -3.60946409582 TCL: atom 1: phi = 0.7176880072 TCL: Center of mass = 43.5940545446 -1.08564667594 -3.60964307723 TCL: atom 1: phi = 0.716764787318 TCL: Center of mass = 43.5973745774 -1.08599310425 -3.60981995263 TCL: atom 1: phi = 0.716088661943 TCL: Center of mass = 43.6006990905 -1.08633025247 -3.60999573222 TCL: atom 1: phi = 0.715306648977 TCL: Center of mass = 43.6040206365 -1.08666570902 -3.61017574811 TCL: atom 1: phi = 0.71484445867 TCL: Center of mass = 43.6073597446 -1.08699083661 -3.61036088893 TCL: atom 1: phi = 0.714221659355 TCL: Center of mass = 43.6106867885 -1.08731100354 -3.61054932759 TCL: atom 1: phi = 0.713789905305 TCL: Center of mass = 43.6140035323 -1.0876334051 -3.61073405929 TCL: atom 1: phi = 0.713190707523 TCL: Center of mass = 43.6173134329 -1.08795245424 -3.61091859937 TCL: atom 1: phi = 0.712757618331 TCL: Center of mass = 43.6206317591 -1.08826284982 -3.61109177431 TCL: atom 1: phi = 0.712235165169 TCL: Center of mass = 43.6239503459 -1.08857320971 -3.61127160226 TCL: atom 1: phi = 0.7120053502 TCL: Center of mass = 43.6272680276 -1.08888080393 -3.61145139196 TCL: atom 1: phi = 0.711781914034 TCL: Center of mass = 43.6305951998 -1.08919539413 -3.61163387127 TCL: atom 1: phi = 0.711911357517 TCL: Center of mass = 43.6339123901 -1.08950562605 -3.61181077855 TCL: atom 1: phi = 0.712075499761 TCL: Center of mass = 43.6372279383 -1.0898106588 -3.61198660489 TCL: atom 1: phi = 0.712558787509 TCL: Center of mass = 43.6405389657 -1.09011803437 -3.61216735862 TCL: atom 1: phi = 0.712987606793 TCL: Center of mass = 43.6438511652 -1.09041591948 -3.61234415047 TCL: atom 1: phi = 0.713591648491 TCL: Center of mass = 43.6471668746 -1.09072108026 -3.61251018386 TCL: atom 1: phi = 0.714010219986 TCL: Center of mass = 43.6504780586 -1.09103405821 -3.6126745391 TCL: atom 1: phi = 0.714512210012 TCL: Center of mass = 43.6538049816 -1.09135208635 -3.61284497604 TCL: atom 1: phi = 0.714762531515 TCL: Center of mass = 43.6571368374 -1.09167644252 -3.61300800314 TCL: atom 1: phi = 0.715065062876 TCL: Center of mass = 43.6604733803 -1.09200826127 -3.6131795781 TCL: atom 1: phi = 0.715193288669 TCL: Center of mass = 43.6638088628 -1.09234562314 -3.61334416907 TCL: atom 1: phi = 0.715398041336 TCL: Center of mass = 43.6671402073 -1.09268482067 -3.61350518698 TCL: atom 1: phi = 0.715456513833 TCL: Center of mass = 43.6704672545 -1.09301781024 -3.61367684306 TCL: atom 1: phi = 0.71565143661 TCL: Center of mass = 43.6737844205 -1.0933518025 -3.61385034062 TCL: atom 1: phi = 0.71572691768 TCL: Center of mass = 43.677110121 -1.09369290198 -3.61402761178 TCL: atom 1: phi = 0.715923543056 TCL: Center of mass = 43.6804504315 -1.09404502914 -3.61421471832 TCL: atom 1: phi = 0.715920853651 TCL: Center of mass = 43.6837775714 -1.09439516604 -3.61441381643 TCL: atom 1: phi = 0.715945037877 TCL: Center of mass = 43.6871064248 -1.09473953878 -3.61461296491 TCL: atom 1: phi = 0.715667382063 TCL: Center of mass = 43.6904305277 -1.09506881751 -3.61481754095 TCL: atom 1: phi = 0.715458633802 TCL: Center of mass = 43.6937525415 -1.09539083255 -3.61501677052 TCL: atom 1: phi = 0.71511985727 TCL: Center of mass = 43.6970780691 -1.09571067576 -3.61521987317 TCL: atom 1: phi = 0.714901673228 TCL: Center of mass = 43.7004064738 -1.09603780302 -3.61542938329 TCL: atom 1: phi = 0.714659982358 TCL: Center of mass = 43.7037326017 -1.09636753946 -3.61564837359 TCL: atom 1: phi = 0.714690940878 TCL: Center of mass = 43.7070556485 -1.09669032053 -3.61586364636 TCL: atom 1: phi = 0.714776908188 TCL: Center of mass = 43.7103734749 -1.09701036792 -3.61608407112 TCL: atom 1: phi = 0.715086945308 TCL: Center of mass = 43.7136946401 -1.09732641103 -3.61631022586 TCL: atom 1: phi = 0.715226336644 TCL: Center of mass = 43.7170151033 -1.09765534738 -3.61652502417 TCL: atom 1: phi = 0.715424141632 TCL: Center of mass = 43.7203458641 -1.09798916471 -3.61673431344 TCL: atom 1: phi = 0.715361987916 TCL: Center of mass = 43.7236806066 -1.09831220418 -3.61695243524 TCL: atom 1: phi = 0.715374709686 TCL: Center of mass = 43.7270116242 -1.09864050478 -3.61716657961 TCL: atom 1: phi = 0.715207025449 TCL: Center of mass = 43.7303415556 -1.09897114595 -3.61738019069 TCL: atom 1: phi = 0.715243794918 TCL: Center of mass = 43.7336801398 -1.09930632844 -3.6175940215 TCL: atom 1: phi = 0.715225299813 TCL: Center of mass = 43.7370192122 -1.09963992354 -3.61780870436 TCL: atom 1: phi = 0.715453068184 TCL: Center of mass = 43.740362069 -1.09997311486 -3.61802368947 TCL: atom 1: phi = 0.715690446271 TCL: Center of mass = 43.7437084435 -1.10030657756 -3.61823176092 TCL: atom 1: phi = 0.716187061749 TIMING: 15000 CPU: 2573.55, 0.172164/step Wall: 3146.07, 0.210907/step, 0.292926 hours remaining, 22051 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 15000 420.5561 652.2965 415.9369 43.7061 -2801.8064 -221.2823 0.0000 0.0000 1189.6255 -300.9677 324.2062 -292.3486 -292.4682 319.6363 471.8518 880.7934 64000.0000 1127.5397 1127.8892 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15000 WRITING COORDINATES TO DCD FILE AT STEP 15000 WRITING COORDINATES TO RESTART FILE AT STEP 15000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 43.7470539929 -1.10063398134 -3.61844565234 TCL: atom 1: phi = 0.716633437534 TCL: Center of mass = 43.7504104376 -1.10096462265 -3.61865567686 TCL: atom 1: phi = 0.717292257199 TCL: Center of mass = 43.7537548922 -1.10129853701 -3.6188622082 TCL: atom 1: phi = 0.717782220464 TCL: Center of mass = 43.7571005235 -1.10162268041 -3.61907348736 TCL: atom 1: phi = 0.718512550088 TCL: Center of mass = 43.7604482534 -1.10194671028 -3.61927139398 TCL: atom 1: phi = 0.719066508589 TCL: Center of mass = 43.7638025515 -1.10227314224 -3.61945899639 TCL: atom 1: phi = 0.719851755262 TCL: Center of mass = 43.7671656984 -1.10260193504 -3.61965701797 TCL: atom 1: phi = 0.720434143218 TCL: Center of mass = 43.7705406686 -1.10292238068 -3.61984794462 TCL: atom 1: phi = 0.721307602867 TCL: Center of mass = 43.7739225557 -1.10323217847 -3.62003147618 TCL: atom 1: phi = 0.72199868566 TCL: Center of mass = 43.7773000017 -1.10353186589 -3.62020935393 TCL: atom 1: phi = 0.722939097336 TCL: Center of mass = 43.7806919281 -1.10384878713 -3.62038371421 TCL: atom 1: phi = 0.723604158991 TCL: Center of mass = 43.7840698109 -1.10417322394 -3.62055898376 TCL: atom 1: phi = 0.724357286005 TCL: Center of mass = 43.7874359472 -1.10450109849 -3.62073314752 TCL: atom 1: phi = 0.724661012638 TCL: Center of mass = 43.7907906313 -1.1048320949 -3.62090807303 TCL: atom 1: phi = 0.724985663225 TCL: Center of mass = 43.7941300927 -1.10515528375 -3.62108712083 TCL: atom 1: phi = 0.724807860231 TCL: Center of mass = 43.7974687794 -1.10546624294 -3.62127454246 TCL: atom 1: phi = 0.724667395957 TCL: Center of mass = 43.8008103752 -1.10577045049 -3.62146506508 TCL: atom 1: phi = 0.724193438286 TCL: Center of mass = 43.8041459709 -1.10608593253 -3.62165178637 TCL: atom 1: phi = 0.723926192678 TCL: Center of mass = 43.8074821182 -1.10640323161 -3.62184227666 TCL: atom 1: phi = 0.723501459812 TCL: Center of mass = 43.8108141828 -1.10672879404 -3.62203020277 TCL: atom 1: phi = 0.723416293167 TCL: Center of mass = 43.8141543928 -1.10704874059 -3.62221317159 TCL: atom 1: phi = 0.723270140329 TCL: Center of mass = 43.8174825316 -1.10735906759 -3.62240578161 TCL: atom 1: phi = 0.723423896761 TCL: Center of mass = 43.8208159985 -1.10767181137 -3.62259175918 TCL: atom 1: phi = 0.723417587719 TCL: Center of mass = 43.8241563869 -1.10798148546 -3.62278442676 TCL: atom 1: phi = 0.723674993621 TCL: Center of mass = 43.8274917616 -1.10828469921 -3.62297583932 TCL: atom 1: phi = 0.723752552529 TCL: Center of mass = 43.8308376481 -1.10858554738 -3.6231745185 TCL: atom 1: phi = 0.724080963259 TCL: Center of mass = 43.8341740796 -1.10888639404 -3.62337555867 TCL: atom 1: phi = 0.724217855317 TCL: Center of mass = 43.8375129269 -1.10917456412 -3.62357295931 TCL: atom 1: phi = 0.724587805374 TCL: Center of mass = 43.8408510324 -1.10945712339 -3.62378077075 TCL: atom 1: phi = 0.724849405881 TCL: Center of mass = 43.844189662 -1.10973018715 -3.62398449585 TCL: atom 1: phi = 0.72539906958 TCL: Center of mass = 43.8475207375 -1.1100051892 -3.62417753446 TCL: atom 1: phi = 0.725718120132 TCL: Center of mass = 43.8508517617 -1.11028626606 -3.62437281994 TCL: atom 1: phi = 0.726252096945 TCL: Center of mass = 43.8541739434 -1.11055480761 -3.62457046629 TCL: atom 1: phi = 0.726436110339 TCL: Center of mass = 43.8574901106 -1.11082634255 -3.624773106 TCL: atom 1: phi = 0.726699121669 TCL: Center of mass = 43.8607950386 -1.11109961142 -3.62496795007 TCL: atom 1: phi = 0.726572636312 TCL: Center of mass = 43.8641019587 -1.11138144539 -3.62516210111 TCL: atom 1: phi = 0.726546948463 TCL: Center of mass = 43.8674007965 -1.11167210235 -3.62535163491 TCL: atom 1: phi = 0.726123069457 TCL: Center of mass = 43.8706910156 -1.11197009101 -3.62555067977 TCL: atom 1: phi = 0.72587861812 TCL: Center of mass = 43.8739801004 -1.11226419105 -3.6257344606 TCL: atom 1: phi = 0.725360441453 TCL: Center of mass = 43.8772616175 -1.1125584548 -3.62591939474 TCL: atom 1: phi = 0.725115182851 TCL: Center of mass = 43.8805495488 -1.11284739855 -3.62611182349 TCL: atom 1: phi = 0.724703046059 TCL: Center of mass = 43.8838572595 -1.11312625809 -3.62630191508 TCL: atom 1: phi = 0.724683914505 TCL: Center of mass = 43.8871646279 -1.11340007496 -3.62649898173 TCL: atom 1: phi = 0.724448636329 TCL: Center of mass = 43.8904661351 -1.11367600038 -3.62669779256 TCL: atom 1: phi = 0.724523804776 TCL: Center of mass = 43.8937625066 -1.11394940922 -3.62690407911 TCL: atom 1: phi = 0.724314721005 TCL: Center of mass = 43.8970633026 -1.11420963665 -3.62712281322 TCL: atom 1: phi = 0.724288404155 TCL: Center of mass = 43.9003746491 -1.11448651726 -3.62735139671 TCL: atom 1: phi = 0.723939809311 TCL: Center of mass = 43.9036834812 -1.11475230218 -3.62758141897 TCL: atom 1: phi = 0.723819437265 TCL: Center of mass = 43.906984461 -1.11500609759 -3.62781011881 TCL: atom 1: phi = 0.72342000366 TCL: Center of mass = 43.9102802392 -1.11525413735 -3.62804892826 TCL: atom 1: phi = 0.723265439512 TCL: Center of mass = 43.9135694375 -1.11550945199 -3.62828610671 TCL: atom 1: phi = 0.722840878949 TCL: Center of mass = 43.9168650872 -1.11577087224 -3.62852734479 TCL: atom 1: phi = 0.722660894471 TCL: Center of mass = 43.9201515621 -1.11602999224 -3.62877060108 TCL: atom 1: phi = 0.722171844241 TCL: Center of mass = 43.9234351748 -1.11628582383 -3.62902472467 TCL: atom 1: phi = 0.721814101421 TCL: Center of mass = 43.926711185 -1.11655406909 -3.62927813647 TCL: atom 1: phi = 0.721134713923 TCL: Center of mass = 43.929989271 -1.11681466882 -3.62954128992 TCL: atom 1: phi = 0.720604018571 TCL: Center of mass = 43.9332727849 -1.11707049645 -3.62980263298 TCL: atom 1: phi = 0.719782454253 TCL: Center of mass = 43.9365423425 -1.11732467067 -3.63006144171 TCL: atom 1: phi = 0.719210644404 TCL: Center of mass = 43.9398228846 -1.11757888502 -3.63030334661 TCL: atom 1: phi = 0.718501958092 TCL: Center of mass = 43.9431134582 -1.11783852773 -3.6305332374 TCL: atom 1: phi = 0.718219174567 TCL: Center of mass = 43.9463936086 -1.11809525114 -3.6307657157 TCL: atom 1: phi = 0.717958850367 TCL: Center of mass = 43.9496721176 -1.11835086237 -3.63099478968 TCL: atom 1: phi = 0.718183063065 TCL: Center of mass = 43.9529525041 -1.11860080558 -3.6312383166 TCL: atom 1: phi = 0.718405113092 TCL: Center of mass = 43.9562244097 -1.11884280554 -3.63147873365 TCL: atom 1: phi = 0.718991038364 TCL: Center of mass = 43.9594907057 -1.11908892535 -3.6317128216 TCL: atom 1: phi = 0.719455234382 TCL: Center of mass = 43.9627612678 -1.11933836338 -3.63194562249 TCL: atom 1: phi = 0.72008689924 TCL: Center of mass = 43.9660416885 -1.11960385648 -3.63217577179 TCL: atom 1: phi = 0.720449225281 TCL: Center of mass = 43.9693216755 -1.11986845183 -3.6324031507 TCL: atom 1: phi = 0.720910596208 TCL: Center of mass = 43.9725995671 -1.1201338531 -3.6326261611 TCL: atom 1: phi = 0.721073885272 TCL: Center of mass = 43.975876547 -1.12038488971 -3.63284731478 TCL: atom 1: phi = 0.721371854548 TCL: Center of mass = 43.9791698059 -1.12063520327 -3.63306880402 TCL: atom 1: phi = 0.721399577031 TCL: Center of mass = 43.9824587843 -1.12088413708 -3.63329709918 TCL: atom 1: phi = 0.721605835793 TCL: Center of mass = 43.9857591963 -1.12112674907 -3.63352753885 TCL: atom 1: phi = 0.721506536863 TCL: Center of mass = 43.9890730694 -1.12136311557 -3.63374790714 TCL: atom 1: phi = 0.721554846586 TCL: Center of mass = 43.9924013435 -1.12160979632 -3.63397671961 TCL: atom 1: phi = 0.721265688698 TCL: Center of mass = 43.9957392338 -1.12186140221 -3.63420098473 TCL: atom 1: phi = 0.721049057182 TCL: Center of mass = 43.9990645702 -1.12209988478 -3.63442265524 TCL: atom 1: phi = 0.720444028763 TCL: Center of mass = 44.0023874174 -1.12233492358 -3.63464320962 TCL: atom 1: phi = 0.719888888541 TCL: Center of mass = 44.0057041187 -1.12257158795 -3.63486213993 TCL: atom 1: phi = 0.71907271302 TCL: Center of mass = 44.0090297883 -1.12280008774 -3.6350856474 TCL: atom 1: phi = 0.718561372656 TCL: Center of mass = 44.0123389394 -1.12301785405 -3.63530488714 TCL: atom 1: phi = 0.717956592174 TCL: Center of mass = 44.0156445576 -1.12322940362 -3.63551408614 TCL: atom 1: phi = 0.717768958852 TCL: Center of mass = 44.0189503627 -1.12343932867 -3.63572254548 TCL: atom 1: phi = 0.717658869039 TCL: Center of mass = 44.0222654268 -1.12365114994 -3.63592007167 TCL: atom 1: phi = 0.717996683155 TCL: Center of mass = 44.0255950198 -1.1238620135 -3.6361227984 TCL: atom 1: phi = 0.718266445838 TCL: Center of mass = 44.0289339084 -1.12408709192 -3.6363189473 TCL: atom 1: phi = 0.718847040949 TCL: Center of mass = 44.0322595825 -1.12431284943 -3.63650420014 TCL: atom 1: phi = 0.719281285223 TCL: Center of mass = 44.0355918967 -1.12453898933 -3.63669310707 TCL: atom 1: phi = 0.719980055437 TCL: Center of mass = 44.0389168423 -1.12476856977 -3.63686790055 TCL: atom 1: phi = 0.720508648989 TCL: Center of mass = 44.0422421574 -1.12499084827 -3.63704068959 TCL: atom 1: phi = 0.72132372315 TCL: Center of mass = 44.0455689251 -1.12522558479 -3.63720834272 TCL: atom 1: phi = 0.721989412556 TCL: Center of mass = 44.0488993801 -1.12546376319 -3.63737546393 TCL: atom 1: phi = 0.722953831556 TCL: Center of mass = 44.0522235598 -1.12570945815 -3.63754222478 TCL: atom 1: phi = 0.723795769858 TCL: Center of mass = 44.0555532497 -1.12594824287 -3.63770409859 TCL: atom 1: phi = 0.724973662295 TCL: Center of mass = 44.058893172 -1.12619964634 -3.63785364896 TCL: atom 1: phi = 0.725971828158 TCL: Center of mass = 44.0622314619 -1.12645145319 -3.63800216817 TCL: atom 1: phi = 0.727208195563 TCL: Center of mass = 44.0655687655 -1.12669376547 -3.63815015299 TCL: atom 1: phi = 0.72807891027 TCL: Center of mass = 44.0688995434 -1.12693461042 -3.63830778292 TCL: atom 1: phi = 0.729158270368 TCL: Center of mass = 44.0722221063 -1.12718493097 -3.63846968332 TCL: atom 1: phi = 0.72986431772 TCL: Center of mass = 44.0755325008 -1.12744562883 -3.63862852579 TCL: atom 1: phi = 0.730866458767 TIMING: 15100 CPU: 2590.8, 0.172484/step Wall: 3167.2, 0.211269/step, 0.287561 hours remaining, 22051 kB of memory in use. ENERGY: 15100 394.6260 685.2017 421.0539 44.4380 -2765.3587 -209.5507 0.0000 0.0000 1115.9373 -313.6524 304.1241 -304.6296 -305.7262 313.4066 1431.6717 1543.2644 64000.0000 1143.1453 1138.6070 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15100 WRITING COORDINATES TO DCD FILE AT STEP 15100 WRITING COORDINATES TO RESTART FILE AT STEP 15100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 44.0788483833 -1.12770632906 -3.63878826672 TCL: atom 1: phi = 0.731572453569 TCL: Center of mass = 44.0821649679 -1.12796728504 -3.63893240289 TCL: atom 1: phi = 0.732608704382 TCL: Center of mass = 44.0854827978 -1.12823328593 -3.63907247786 TCL: atom 1: phi = 0.733368927135 TCL: Center of mass = 44.088797686 -1.12850160399 -3.63921913393 TCL: atom 1: phi = 0.734488769861 TCL: Center of mass = 44.09211359 -1.12877389671 -3.63937215185 TCL: atom 1: phi = 0.73523044692 TCL: Center of mass = 44.0954321512 -1.12904893918 -3.63952113056 TCL: atom 1: phi = 0.736185289279 TCL: Center of mass = 44.0987476292 -1.12932112068 -3.63967619751 TCL: atom 1: phi = 0.736617427772 TCL: Center of mass = 44.1020522582 -1.12959161685 -3.6398374662 TCL: atom 1: phi = 0.737084287849 TCL: Center of mass = 44.1053585104 -1.12985658995 -3.63999665432 TCL: atom 1: phi = 0.736992174963 TCL: Center of mass = 44.1086588464 -1.13010877154 -3.64016178518 TCL: atom 1: phi = 0.736999230254 TCL: Center of mass = 44.1119596212 -1.13036081362 -3.64032281331 TCL: atom 1: phi = 0.73663915926 TCL: Center of mass = 44.1152686188 -1.1306231662 -3.64049127108 TCL: atom 1: phi = 0.736478514983 TCL: Center of mass = 44.1185748457 -1.13089165048 -3.64065510227 TCL: atom 1: phi = 0.736052724635 TCL: Center of mass = 44.1218856496 -1.13115645323 -3.64082477567 TCL: atom 1: phi = 0.73592433392 TCL: Center of mass = 44.1251934071 -1.13143053216 -3.64098993885 TCL: atom 1: phi = 0.735557855305 TCL: Center of mass = 44.1285179471 -1.13169817473 -3.64116645087 TCL: atom 1: phi = 0.735454657572 TCL: Center of mass = 44.1318371764 -1.13196416819 -3.64133972114 TCL: atom 1: phi = 0.735136672354 TCL: Center of mass = 44.1351536705 -1.13223238915 -3.6415106266 TCL: atom 1: phi = 0.735036371818 TCL: Center of mass = 44.1384697788 -1.13249127363 -3.64168092499 TCL: atom 1: phi = 0.734738652868 TCL: Center of mass = 44.1417902794 -1.13275646755 -3.64184239836 TCL: atom 1: phi = 0.73479627016 TCL: Center of mass = 44.1450980512 -1.13301515682 -3.64200284026 TCL: atom 1: phi = 0.734839035729 TCL: Center of mass = 44.1483947211 -1.13327260399 -3.64214552908 TCL: atom 1: phi = 0.73536158758 TCL: Center of mass = 44.1516844837 -1.13353080594 -3.64227950055 TCL: atom 1: phi = 0.735923433255 TCL: Center of mass = 44.1549607687 -1.13377984753 -3.64240043434 TCL: atom 1: phi = 0.736951091964 TCL: Center of mass = 44.1582338784 -1.13402160467 -3.64253108222 TCL: atom 1: phi = 0.737920144812 TCL: Center of mass = 44.1615059376 -1.13425757287 -3.64265357708 TCL: atom 1: phi = 0.739196639524 TCL: Center of mass = 44.1647803352 -1.1345048241 -3.64278486829 TCL: atom 1: phi = 0.740226163932 TCL: Center of mass = 44.1680323106 -1.13474387834 -3.6429109582 TCL: atom 1: phi = 0.741398139833 TCL: Center of mass = 44.171287629 -1.13497778602 -3.64304206809 TCL: atom 1: phi = 0.742237500374 TCL: Center of mass = 44.1745437885 -1.13521285872 -3.64316345816 TCL: atom 1: phi = 0.743249899041 TCL: Center of mass = 44.1778061319 -1.1354498868 -3.64328369237 TCL: atom 1: phi = 0.743939318167 TCL: Center of mass = 44.1810657157 -1.13568568965 -3.64340872954 TCL: atom 1: phi = 0.744853137431 TCL: Center of mass = 44.1843074167 -1.13592411375 -3.64353941779 TCL: atom 1: phi = 0.745514600993 TCL: Center of mass = 44.1875470476 -1.13617045173 -3.64368349477 TCL: atom 1: phi = 0.746447100313 TCL: Center of mass = 44.1907791498 -1.13642187377 -3.64383436506 TCL: atom 1: phi = 0.747205304416 TCL: Center of mass = 44.1940153548 -1.13666953689 -3.64399125898 TCL: atom 1: phi = 0.748252346826 TCL: Center of mass = 44.1972613084 -1.13690808189 -3.64413411707 TCL: atom 1: phi = 0.749003168134 TCL: Center of mass = 44.2005132984 -1.13714754991 -3.6442750376 TCL: atom 1: phi = 0.749940807808 TCL: Center of mass = 44.2037735605 -1.13738417206 -3.64441611335 TCL: atom 1: phi = 0.750571973783 TCL: Center of mass = 44.2070500084 -1.13762142588 -3.64454274322 TCL: atom 1: phi = 0.751385206222 TCL: Center of mass = 44.2103341032 -1.13786358664 -3.64466782372 TCL: atom 1: phi = 0.751973059339 TCL: Center of mass = 44.2136195697 -1.13809564375 -3.64480192937 TCL: atom 1: phi = 0.752807125806 TCL: Center of mass = 44.2169055952 -1.13831737958 -3.64493006373 TCL: atom 1: phi = 0.753500451846 TCL: Center of mass = 44.2201882805 -1.13854092413 -3.64505999802 TCL: atom 1: phi = 0.754454392607 TCL: Center of mass = 44.223461206 -1.13877237589 -3.64519090222 TCL: atom 1: phi = 0.755176407054 TCL: Center of mass = 44.2267285957 -1.13901070571 -3.64532266509 TCL: atom 1: phi = 0.756075344479 TCL: Center of mass = 44.2299986573 -1.13926190304 -3.64544655029 TCL: atom 1: phi = 0.756598162477 TCL: Center of mass = 44.2332793824 -1.13951974228 -3.64556840525 TCL: atom 1: phi = 0.757104978569 TCL: Center of mass = 44.2365678347 -1.13977845024 -3.64569545362 TCL: atom 1: phi = 0.7571093091 TCL: Center of mass = 44.2398661102 -1.1400307965 -3.64581710873 TCL: atom 1: phi = 0.757124879407 TCL: Center of mass = 44.2431795655 -1.14028314506 -3.64593020029 TCL: atom 1: phi = 0.756767323836 TCL: Center of mass = 44.246494122 -1.14053273049 -3.64605033556 TCL: atom 1: phi = 0.756484987094 TCL: Center of mass = 44.2498070675 -1.14078255784 -3.6461676243 TCL: atom 1: phi = 0.755975882137 TCL: Center of mass = 44.2531276276 -1.14103792505 -3.64627438486 TCL: atom 1: phi = 0.755643094132 TCL: Center of mass = 44.2564327166 -1.14129840836 -3.64637536406 TCL: atom 1: phi = 0.755165969012 TCL: Center of mass = 44.259738153 -1.14156877914 -3.64647569998 TCL: atom 1: phi = 0.754933668546 TCL: Center of mass = 44.2630541683 -1.14183695991 -3.64658645223 TCL: atom 1: phi = 0.754666390849 TCL: Center of mass = 44.2663806429 -1.14210629822 -3.6467128602 TCL: atom 1: phi = 0.754715120632 TCL: Center of mass = 44.2697137343 -1.14237060445 -3.64685224452 TCL: atom 1: phi = 0.754815292666 TCL: Center of mass = 44.2730493834 -1.14263806155 -3.64699436885 TCL: atom 1: phi = 0.755273865934 TCL: Center of mass = 44.2763926225 -1.14291115178 -3.64713683703 TCL: atom 1: phi = 0.755765230488 TCL: Center of mass = 44.2797335504 -1.14317233928 -3.64728491534 TCL: atom 1: phi = 0.756654009368 TCL: Center of mass = 44.2830823623 -1.14343242205 -3.64742798372 TCL: atom 1: phi = 0.757572381069 TCL: Center of mass = 44.2864324369 -1.14370632319 -3.64757713851 TCL: atom 1: phi = 0.758836307048 TCL: Center of mass = 44.2897870721 -1.14398663251 -3.64772404654 TCL: atom 1: phi = 0.760079160952 TCL: Center of mass = 44.2931425508 -1.14427943189 -3.64786888649 TCL: atom 1: phi = 0.761579439842 TCL: Center of mass = 44.2964948833 -1.14457427277 -3.64800944931 TCL: atom 1: phi = 0.762899337819 TCL: Center of mass = 44.2998405397 -1.14488098142 -3.64814551734 TCL: atom 1: phi = 0.764305653091 TCL: Center of mass = 44.303188917 -1.14517619942 -3.64828394155 TCL: atom 1: phi = 0.765327304349 TCL: Center of mass = 44.3065415131 -1.1454779037 -3.64842492361 TCL: atom 1: phi = 0.766338490287 TCL: Center of mass = 44.3099027797 -1.14577868432 -3.64857453501 TCL: atom 1: phi = 0.76686348435 TCL: Center of mass = 44.3132546754 -1.14608050073 -3.64873382893 TCL: atom 1: phi = 0.767364678755 TCL: Center of mass = 44.3166089919 -1.14637331156 -3.64889658783 TCL: atom 1: phi = 0.767419270907 TCL: Center of mass = 44.3199593677 -1.14667749386 -3.64905413775 TCL: atom 1: phi = 0.767521753275 TCL: Center of mass = 44.323308169 -1.14696857458 -3.64921435794 TCL: atom 1: phi = 0.767300931783 TCL: Center of mass = 44.3266525451 -1.14725856448 -3.64936968932 TCL: atom 1: phi = 0.767173613266 TCL: Center of mass = 44.3300052712 -1.14754394363 -3.64952732311 TCL: atom 1: phi = 0.766752244497 TCL: Center of mass = 44.3333624333 -1.14782246894 -3.64969184135 TCL: atom 1: phi = 0.766546815566 TCL: Center of mass = 44.3367318637 -1.1481115056 -3.64985574675 TCL: atom 1: phi = 0.766112756667 TCL: Center of mass = 44.3401034886 -1.14838615129 -3.65000843172 TCL: atom 1: phi = 0.765946380929 TCL: Center of mass = 44.3434640711 -1.14865888346 -3.6501616628 TCL: atom 1: phi = 0.765644785588 TCL: Center of mass = 44.3468267973 -1.14892806578 -3.65031116098 TCL: atom 1: phi = 0.765590475492 TCL: Center of mass = 44.3501964105 -1.14920240664 -3.6504554353 TCL: atom 1: phi = 0.765458279724 TCL: Center of mass = 44.3535596136 -1.14946690649 -3.65059958764 TCL: atom 1: phi = 0.765677956836 TCL: Center of mass = 44.3569140605 -1.14974578024 -3.65074537384 TCL: atom 1: phi = 0.765895404287 TCL: Center of mass = 44.3602542636 -1.15002138681 -3.65090074592 TCL: atom 1: phi = 0.766436635943 TCL: Center of mass = 44.363588977 -1.15030317033 -3.65105409428 TCL: atom 1: phi = 0.766922686285 TCL: Center of mass = 44.3669306684 -1.15058224601 -3.65120289999 TCL: atom 1: phi = 0.767656475398 TCL: Center of mass = 44.3702860926 -1.1508481284 -3.65135125088 TCL: atom 1: phi = 0.76821997474 TCL: Center of mass = 44.3736487945 -1.15110694151 -3.65150493355 TCL: atom 1: phi = 0.768956101344 TCL: Center of mass = 44.37699998 -1.15135435698 -3.65165918926 TCL: atom 1: phi = 0.769439392379 TCL: Center of mass = 44.3803469562 -1.1515979857 -3.6518029853 TCL: atom 1: phi = 0.770081630567 TCL: Center of mass = 44.3836980601 -1.15183273339 -3.6519435671 TCL: atom 1: phi = 0.77046953768 TCL: Center of mass = 44.3870478013 -1.15207210057 -3.65207553646 TCL: atom 1: phi = 0.770969945601 TCL: Center of mass = 44.3903970003 -1.15231409593 -3.65220533352 TCL: atom 1: phi = 0.77120972457 TCL: Center of mass = 44.3937415909 -1.15255237598 -3.65233333404 TCL: atom 1: phi = 0.771635395228 TCL: Center of mass = 44.3970891546 -1.15279528964 -3.6524513004 TCL: atom 1: phi = 0.771885943587 TCL: Center of mass = 44.4004352762 -1.15302344683 -3.65258036074 TCL: atom 1: phi = 0.772430283227 TCL: Center of mass = 44.4037738256 -1.15324422102 -3.65272030605 TCL: atom 1: phi = 0.77284699592 TCL: Center of mass = 44.4071128697 -1.15346433651 -3.65284997798 TCL: atom 1: phi = 0.773560883619 TIMING: 15200 CPU: 2608.06, 0.172594/step Wall: 3188.34, 0.211392/step, 0.281856 hours remaining, 22051 kB of memory in use. ENERGY: 15200 411.6737 679.8552 417.5613 43.7675 -2808.9624 -202.8861 0.0000 0.0000 1164.0460 -294.9448 317.2351 -286.0160 -286.9031 315.7945 1434.8655 1211.8005 64000.0000 1171.3202 1168.1023 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15200 WRITING COORDINATES TO DCD FILE AT STEP 15200 WRITING COORDINATES TO RESTART FILE AT STEP 15200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 44.4104444779 -1.1536752447 -3.65298014753 TCL: atom 1: phi = 0.774077846305 TCL: Center of mass = 44.4137741126 -1.15388526913 -3.65309936177 TCL: atom 1: phi = 0.774870590392 TCL: Center of mass = 44.4171018389 -1.15410018459 -3.65322833342 TCL: atom 1: phi = 0.775410229342 TCL: Center of mass = 44.420425261 -1.15430723522 -3.65335007498 TCL: atom 1: phi = 0.776181346274 TCL: Center of mass = 44.4237477757 -1.15451674339 -3.65347673988 TCL: atom 1: phi = 0.776685907816 TCL: Center of mass = 44.4270593018 -1.1547300756 -3.65360102669 TCL: atom 1: phi = 0.777376982731 TCL: Center of mass = 44.430370592 -1.15494975074 -3.65372943446 TCL: atom 1: phi = 0.777805738865 TCL: Center of mass = 44.4336774771 -1.15516719594 -3.65385137301 TCL: atom 1: phi = 0.778408183916 TCL: Center of mass = 44.4369868259 -1.15539949972 -3.6539811021 TCL: atom 1: phi = 0.778708144448 TCL: Center of mass = 44.4402971869 -1.15563532285 -3.65410768555 TCL: atom 1: phi = 0.779082137369 TCL: Center of mass = 44.4436056727 -1.15587855185 -3.65423338142 TCL: atom 1: phi = 0.779165220438 TCL: Center of mass = 44.4469183293 -1.1561248344 -3.65436931414 TCL: atom 1: phi = 0.7792190893 TCL: Center of mass = 44.4502322347 -1.15636394384 -3.65450559077 TCL: atom 1: phi = 0.778968766481 TCL: Center of mass = 44.4535413402 -1.15659722783 -3.6546399654 TCL: atom 1: phi = 0.778707691271 TCL: Center of mass = 44.4568456047 -1.15682204167 -3.65478010186 TCL: atom 1: phi = 0.778203370312 TCL: Center of mass = 44.460164304 -1.15703279224 -3.65491708536 TCL: atom 1: phi = 0.777732530581 TCL: Center of mass = 44.4634806229 -1.15724266329 -3.65504100729 TCL: atom 1: phi = 0.777053414457 TCL: Center of mass = 44.4667906074 -1.15743963162 -3.65516098259 TCL: atom 1: phi = 0.776511190292 TCL: Center of mass = 44.4701038357 -1.15763534368 -3.65527694433 TCL: atom 1: phi = 0.775890927511 TCL: Center of mass = 44.4734137437 -1.15782905378 -3.65538504563 TCL: atom 1: phi = 0.775511150427 TCL: Center of mass = 44.4767179504 -1.15801735944 -3.65549494728 TCL: atom 1: phi = 0.77512202093 TCL: Center of mass = 44.4800364699 -1.15820541561 -3.65560727816 TCL: atom 1: phi = 0.774993045279 TCL: Center of mass = 44.483347667 -1.1583964785 -3.65571836755 TCL: atom 1: phi = 0.774872402465 TCL: Center of mass = 44.486666334 -1.15859194144 -3.65582851104 TCL: atom 1: phi = 0.774999553384 TCL: Center of mass = 44.4899755925 -1.15877288852 -3.65593308397 TCL: atom 1: phi = 0.775178326339 TCL: Center of mass = 44.4932844202 -1.15895492119 -3.65603364273 TCL: atom 1: phi = 0.775604789917 TCL: Center of mass = 44.4965863374 -1.15914667909 -3.6561291016 TCL: atom 1: phi = 0.775975054087 TCL: Center of mass = 44.4998957719 -1.15935597331 -3.65622858539 TCL: atom 1: phi = 0.776533280698 TCL: Center of mass = 44.5032036003 -1.15957242284 -3.65631505114 TCL: atom 1: phi = 0.77706652061 TCL: Center of mass = 44.5065136197 -1.15980268423 -3.65640118172 TCL: atom 1: phi = 0.777766570729 TCL: Center of mass = 44.509830887 -1.16003470027 -3.65647981908 TCL: atom 1: phi = 0.778361337564 TCL: Center of mass = 44.5131609769 -1.16026761723 -3.65655798267 TCL: atom 1: phi = 0.779022115561 TCL: Center of mass = 44.5164802535 -1.16049027509 -3.6566374152 TCL: atom 1: phi = 0.779480554391 TCL: Center of mass = 44.5198013795 -1.16070505633 -3.65671180479 TCL: atom 1: phi = 0.779952013513 TCL: Center of mass = 44.5231376338 -1.16091543725 -3.6567788793 TCL: atom 1: phi = 0.780192620444 TCL: Center of mass = 44.5264694653 -1.16112317939 -3.65682788866 TCL: atom 1: phi = 0.780431429705 TCL: Center of mass = 44.5298088559 -1.16132991018 -3.65687668261 TCL: atom 1: phi = 0.780419267145 TCL: Center of mass = 44.5331452473 -1.16153621204 -3.65691675179 TCL: atom 1: phi = 0.780475158359 TCL: Center of mass = 44.5364761137 -1.16174121596 -3.65695877092 TCL: atom 1: phi = 0.78037663062 TCL: Center of mass = 44.5398159043 -1.16194103085 -3.65700259988 TCL: atom 1: phi = 0.780364542029 TCL: Center of mass = 44.5431723756 -1.16214188243 -3.65705307206 TCL: atom 1: phi = 0.780252824302 TCL: Center of mass = 44.5465351616 -1.16233336917 -3.65710488724 TCL: atom 1: phi = 0.780339384384 TCL: Center of mass = 44.5498970426 -1.16253552836 -3.65714098792 TCL: atom 1: phi = 0.780370168602 TCL: Center of mass = 44.5532628107 -1.16274045614 -3.65718294521 TCL: atom 1: phi = 0.780575887422 TCL: Center of mass = 44.5566278503 -1.16294332597 -3.65721872897 TCL: atom 1: phi = 0.78066450017 TCL: Center of mass = 44.5600032416 -1.16315456072 -3.65724884925 TCL: atom 1: phi = 0.780818077534 TCL: Center of mass = 44.5633784334 -1.16335799113 -3.65727636768 TCL: atom 1: phi = 0.78083057156 TCL: Center of mass = 44.5667477438 -1.16354781531 -3.65730181995 TCL: atom 1: phi = 0.780847158137 TCL: Center of mass = 44.5701206376 -1.16374223819 -3.65732537582 TCL: atom 1: phi = 0.780747219776 TCL: Center of mass = 44.5734917225 -1.16394828778 -3.65734919278 TCL: atom 1: phi = 0.780779401596 TCL: Center of mass = 44.5768581277 -1.16415217687 -3.65736041837 TCL: atom 1: phi = 0.780724987909 TCL: Center of mass = 44.580220278 -1.16435274141 -3.65737721896 TCL: atom 1: phi = 0.78084946957 TCL: Center of mass = 44.5835904829 -1.16454226812 -3.6574007643 TCL: atom 1: phi = 0.780821633377 TCL: Center of mass = 44.586963126 -1.16473287152 -3.65742609048 TCL: atom 1: phi = 0.780844451971 TCL: Center of mass = 44.5903549508 -1.16490813691 -3.65744586889 TCL: atom 1: phi = 0.780659136141 TCL: Center of mass = 44.5937348874 -1.16508259483 -3.65746834695 TCL: atom 1: phi = 0.780530220054 TCL: Center of mass = 44.597119962 -1.16526697538 -3.65749189828 TCL: atom 1: phi = 0.780193607439 TCL: Center of mass = 44.6005174962 -1.16545769394 -3.65751176046 TCL: atom 1: phi = 0.77983584082 TCL: Center of mass = 44.6039218451 -1.16566557228 -3.65752857456 TCL: atom 1: phi = 0.779373088532 TCL: Center of mass = 44.6073234472 -1.16587899563 -3.65755571428 TCL: atom 1: phi = 0.779041456237 TCL: Center of mass = 44.6107343207 -1.16608925635 -3.65758429137 TCL: atom 1: phi = 0.778730785607 TCL: Center of mass = 44.6141498302 -1.16628394652 -3.65761632547 TCL: atom 1: phi = 0.778732001373 TCL: Center of mass = 44.6175614698 -1.16647968378 -3.65764778151 TCL: atom 1: phi = 0.778789961937 TCL: Center of mass = 44.6209707534 -1.1666694219 -3.65767237756 TCL: atom 1: phi = 0.779100614379 TCL: Center of mass = 44.6243851936 -1.16686455867 -3.65769822 TCL: atom 1: phi = 0.77945364453 TCL: Center of mass = 44.627795756 -1.16706702444 -3.65771928988 TCL: atom 1: phi = 0.779923144609 TCL: Center of mass = 44.631198208 -1.16726683614 -3.65774988917 TCL: atom 1: phi = 0.780269067286 TCL: Center of mass = 44.6346202551 -1.1674711853 -3.65778386374 TCL: atom 1: phi = 0.78072508251 TCL: Center of mass = 44.638043967 -1.16767289127 -3.65781471837 TCL: atom 1: phi = 0.781076204489 TCL: Center of mass = 44.6414724905 -1.16787495335 -3.65782503542 TCL: atom 1: phi = 0.78152372597 TCL: Center of mass = 44.6449065922 -1.16807731074 -3.65783425765 TCL: atom 1: phi = 0.781848778266 TCL: Center of mass = 44.6483505358 -1.16827712651 -3.65784282144 TCL: atom 1: phi = 0.782333816073 TCL: Center of mass = 44.6517955495 -1.16848898899 -3.65785168484 TCL: atom 1: phi = 0.782685258493 TCL: Center of mass = 44.6552314875 -1.16870654975 -3.65786112824 TCL: atom 1: phi = 0.783136764826 TCL: Center of mass = 44.6586667654 -1.16892680201 -3.65787136779 TCL: atom 1: phi = 0.78335804822 TCL: Center of mass = 44.662106916 -1.16915261982 -3.6578896167 TCL: atom 1: phi = 0.783574933443 TCL: Center of mass = 44.6655429229 -1.16937105969 -3.65790607459 TCL: atom 1: phi = 0.783456779542 TCL: Center of mass = 44.6689702647 -1.1695892612 -3.65792280639 TCL: atom 1: phi = 0.783332401162 TCL: Center of mass = 44.6723975677 -1.16980323126 -3.65794413068 TCL: atom 1: phi = 0.782853862971 TCL: Center of mass = 44.6758308294 -1.17001292139 -3.65795720082 TCL: atom 1: phi = 0.782386384421 TCL: Center of mass = 44.6792686286 -1.17022834824 -3.65796595527 TCL: atom 1: phi = 0.781678670555 TCL: Center of mass = 44.6826995041 -1.17044596937 -3.6579638023 TCL: atom 1: phi = 0.781204661333 TCL: Center of mass = 44.6861404149 -1.17066713168 -3.65796551062 TCL: atom 1: phi = 0.780641549509 TCL: Center of mass = 44.6895829918 -1.17088769809 -3.657975561 TCL: atom 1: phi = 0.780370227627 TCL: Center of mass = 44.6930420589 -1.17110998668 -3.65799750794 TCL: atom 1: phi = 0.779965359386 TCL: Center of mass = 44.6964928045 -1.17133988918 -3.65802369818 TCL: atom 1: phi = 0.779740602845 TCL: Center of mass = 44.6999480266 -1.17156628493 -3.65804958249 TCL: atom 1: phi = 0.779235132042 TCL: Center of mass = 44.7034079165 -1.17178475327 -3.658069235 TCL: atom 1: phi = 0.778875766175 TCL: Center of mass = 44.7068650473 -1.17199033587 -3.65809199605 TCL: atom 1: phi = 0.778159908568 TCL: Center of mass = 44.7103192499 -1.17219689022 -3.65811512032 TCL: atom 1: phi = 0.777666057101 TCL: Center of mass = 44.7137699272 -1.1723876339 -3.65814620722 TCL: atom 1: phi = 0.777004516815 TCL: Center of mass = 44.7172240775 -1.17257183315 -3.65819765457 TCL: atom 1: phi = 0.776672176334 TCL: Center of mass = 44.7206831758 -1.1727468043 -3.65824927955 TCL: atom 1: phi = 0.776247411121 TCL: Center of mass = 44.7241456475 -1.17291920243 -3.65829691355 TCL: atom 1: phi = 0.776195160286 TCL: Center of mass = 44.7276135553 -1.17308699897 -3.65834559513 TCL: atom 1: phi = 0.775948695106 TCL: Center of mass = 44.7310827983 -1.17326147333 -3.65839358232 TCL: atom 1: phi = 0.775879714436 TCL: Center of mass = 44.7345486686 -1.17343011573 -3.65844063677 TCL: atom 1: phi = 0.775432971953 TCL: Center of mass = 44.737993849 -1.17358879467 -3.65849216789 TCL: atom 1: phi = 0.775113840411 TCL: Center of mass = 44.741433172 -1.17374853244 -3.6585364714 TCL: atom 1: phi = 0.774430361857 TCL: Center of mass = 44.7448699786 -1.17392010546 -3.65858425001 TCL: atom 1: phi = 0.773941166752 TIMING: 15300 CPU: 2625.3, 0.172444/step Wall: 3209.45, 0.211154/step, 0.275673 hours remaining, 22051 kB of memory in use. ENERGY: 15300 405.3421 682.7883 421.4519 48.5352 -2782.4381 -230.5800 0.0000 0.0000 1157.9731 -296.9274 315.5801 -287.8446 -289.3188 316.1106 1531.5357 691.3337 64000.0000 1267.9025 1265.2332 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15300 WRITING COORDINATES TO DCD FILE AT STEP 15300 WRITING COORDINATES TO RESTART FILE AT STEP 15300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 44.7483035696 -1.17408747509 -3.65862831987 TCL: atom 1: phi = 0.773237635593 TCL: Center of mass = 44.7517430791 -1.17426070849 -3.65866349616 TCL: atom 1: phi = 0.772893015441 TCL: Center of mass = 44.7551770917 -1.17444260321 -3.65869716958 TCL: atom 1: phi = 0.77250616043 TCL: Center of mass = 44.7586085965 -1.17461824114 -3.65873035031 TCL: atom 1: phi = 0.772526561687 TCL: Center of mass = 44.7620436646 -1.17479547631 -3.65876393018 TCL: atom 1: phi = 0.77247135883 TCL: Center of mass = 44.765480565 -1.17497906555 -3.65878860199 TCL: atom 1: phi = 0.772682518888 TCL: Center of mass = 44.7689121015 -1.17515521469 -3.65881923106 TCL: atom 1: phi = 0.772585242244 TCL: Center of mass = 44.7723540107 -1.17533682563 -3.65885842047 TCL: atom 1: phi = 0.772588680434 TCL: Center of mass = 44.7758008817 -1.1755141111 -3.65889539495 TCL: atom 1: phi = 0.772263348545 TCL: Center of mass = 44.7792453458 -1.17568784707 -3.65894118694 TCL: atom 1: phi = 0.772048197752 TCL: Center of mass = 44.7826969501 -1.17585280949 -3.65899076419 TCL: atom 1: phi = 0.771626226528 TCL: Center of mass = 44.7861608953 -1.17602042153 -3.65904340386 TCL: atom 1: phi = 0.771428060686 TCL: Center of mass = 44.7896257287 -1.17617972843 -3.65909705922 TCL: atom 1: phi = 0.771050708474 TCL: Center of mass = 44.7930905153 -1.17633626411 -3.6591557411 TCL: atom 1: phi = 0.770988261863 TCL: Center of mass = 44.7965574296 -1.17650384772 -3.65921580953 TCL: atom 1: phi = 0.770833876929 TCL: Center of mass = 44.8000154407 -1.17667670534 -3.65928098445 TCL: atom 1: phi = 0.770886156078 TCL: Center of mass = 44.8034787898 -1.17684721786 -3.65935003158 TCL: atom 1: phi = 0.770682099549 TCL: Center of mass = 44.8069340343 -1.17701228373 -3.65943231166 TCL: atom 1: phi = 0.77048350236 TCL: Center of mass = 44.8103891756 -1.17716828878 -3.65950966538 TCL: atom 1: phi = 0.769979318267 TCL: Center of mass = 44.8138423784 -1.17732487639 -3.65958267127 TCL: atom 1: phi = 0.769550437759 TCL: Center of mass = 44.8172955019 -1.17749457048 -3.65966085465 TCL: atom 1: phi = 0.768983537484 TCL: Center of mass = 44.8207505562 -1.17767363858 -3.6597502904 TCL: atom 1: phi = 0.768641272101 TCL: Center of mass = 44.8242130882 -1.17785629318 -3.65983247099 TCL: atom 1: phi = 0.768382551603 TCL: Center of mass = 44.8276836379 -1.17804849648 -3.65990154297 TCL: atom 1: phi = 0.768497713289 TCL: Center of mass = 44.8311464411 -1.17823416832 -3.65996593636 TCL: atom 1: phi = 0.76869508717 TCL: Center of mass = 44.8346173179 -1.17840921601 -3.66003679175 TCL: atom 1: phi = 0.769202537392 TCL: Center of mass = 44.8380823475 -1.17859706499 -3.66011315348 TCL: atom 1: phi = 0.76958858998 TCL: Center of mass = 44.8415521046 -1.17878959434 -3.66018377003 TCL: atom 1: phi = 0.770078999634 TCL: Center of mass = 44.8450281765 -1.17896653249 -3.66025383596 TCL: atom 1: phi = 0.770328247814 TCL: Center of mass = 44.8484996076 -1.17913544974 -3.66032044598 TCL: atom 1: phi = 0.770631731607 TCL: Center of mass = 44.8519615645 -1.1793018546 -3.66038309101 TCL: atom 1: phi = 0.77067198614 TCL: Center of mass = 44.8554134743 -1.17947514518 -3.66045086536 TCL: atom 1: phi = 0.770885072349 TCL: Center of mass = 44.8588640387 -1.17965562006 -3.6605089646 TCL: atom 1: phi = 0.77101851198 TCL: Center of mass = 44.8623037723 -1.1798371418 -3.66057773192 TCL: atom 1: phi = 0.771456228039 TCL: Center of mass = 44.8657259396 -1.18001527985 -3.6606373556 TCL: atom 1: phi = 0.771873839378 TCL: Center of mass = 44.8691473648 -1.18018655119 -3.66069741206 TCL: atom 1: phi = 0.772556167583 TCL: Center of mass = 44.8725652251 -1.18035181229 -3.66075323801 TCL: atom 1: phi = 0.773023182237 TCL: Center of mass = 44.8759780945 -1.18051802412 -3.660805894 TCL: atom 1: phi = 0.773565490587 TCL: Center of mass = 44.8793877038 -1.18068106624 -3.66086472584 TCL: atom 1: phi = 0.773692450913 TCL: Center of mass = 44.8827966332 -1.18084631502 -3.66091662907 TCL: atom 1: phi = 0.773816259613 TCL: Center of mass = 44.8861985871 -1.18102123757 -3.66097443077 TCL: atom 1: phi = 0.773603464901 TCL: Center of mass = 44.8895964799 -1.18118749469 -3.66103275073 TCL: atom 1: phi = 0.773569055209 TCL: Center of mass = 44.8930051834 -1.18135399208 -3.66109498316 TCL: atom 1: phi = 0.773419563857 TCL: Center of mass = 44.8964257746 -1.18152476384 -3.66116344501 TCL: atom 1: phi = 0.773620243298 TCL: Center of mass = 44.899848932 -1.18169067175 -3.66122357562 TCL: atom 1: phi = 0.773805023947 TCL: Center of mass = 44.9032717103 -1.18184898816 -3.66127581516 TCL: atom 1: phi = 0.774366832512 TCL: Center of mass = 44.9066874912 -1.18200695409 -3.66132476091 TCL: atom 1: phi = 0.774733325624 TCL: Center of mass = 44.9100940157 -1.18217750766 -3.66137672401 TCL: atom 1: phi = 0.775312570493 TCL: Center of mass = 44.9134983556 -1.18234843256 -3.66144380021 TCL: atom 1: phi = 0.775615632483 TCL: Center of mass = 44.9169109461 -1.18251369773 -3.66151349021 TCL: atom 1: phi = 0.775989540206 TCL: Center of mass = 44.9203193803 -1.18267441595 -3.66158906625 TCL: atom 1: phi = 0.77606351438 TCL: Center of mass = 44.9237142006 -1.18283630351 -3.66166209339 TCL: atom 1: phi = 0.776387639341 TCL: Center of mass = 44.9271278094 -1.18300328119 -3.66173505422 TCL: atom 1: phi = 0.776481139367 TCL: Center of mass = 44.9305443955 -1.18316972065 -3.66181004432 TCL: atom 1: phi = 0.776941463999 TCL: Center of mass = 44.9339664192 -1.18333617456 -3.66189834009 TCL: atom 1: phi = 0.777282569366 TCL: Center of mass = 44.9373842963 -1.18351983969 -3.66199288467 TCL: atom 1: phi = 0.777989652279 TCL: Center of mass = 44.9408035259 -1.18371051566 -3.66206893293 TCL: atom 1: phi = 0.778402823912 TCL: Center of mass = 44.944222009 -1.18390875632 -3.6621475153 TCL: atom 1: phi = 0.779016666213 TCL: Center of mass = 44.9476418398 -1.18410945069 -3.66222143108 TCL: atom 1: phi = 0.779090117007 TCL: Center of mass = 44.9510624668 -1.18431031243 -3.66229619549 TCL: atom 1: phi = 0.779191207575 TCL: Center of mass = 44.954482058 -1.18449851315 -3.66236902462 TCL: atom 1: phi = 0.778724215596 TCL: Center of mass = 44.9579025557 -1.18467338665 -3.66244641493 TCL: atom 1: phi = 0.778362791683 TCL: Center of mass = 44.9613318353 -1.18485352922 -3.66252515963 TCL: atom 1: phi = 0.777603869371 TCL: Center of mass = 44.9647512006 -1.18503674458 -3.6626060665 TCL: atom 1: phi = 0.777141775265 TCL: Center of mass = 44.9681769835 -1.18522523929 -3.66268793807 TCL: atom 1: phi = 0.776441662786 TCL: Center of mass = 44.9716010327 -1.1854189698 -3.66277894326 TCL: atom 1: phi = 0.776132191479 TCL: Center of mass = 44.9750165063 -1.1856260987 -3.66287701487 TCL: atom 1: phi = 0.775592455309 TCL: Center of mass = 44.978425724 -1.18583838963 -3.66297089515 TCL: atom 1: phi = 0.775316112427 TCL: Center of mass = 44.981828128 -1.18604552329 -3.6630636841 TCL: atom 1: phi = 0.774684018138 TCL: Center of mass = 44.9852291925 -1.18624889036 -3.66315112135 TCL: atom 1: phi = 0.774210467819 TCL: Center of mass = 44.988638239 -1.18644846093 -3.66323690589 TCL: atom 1: phi = 0.773335465325 TCL: Center of mass = 44.9920445589 -1.18664769056 -3.66333483514 TCL: atom 1: phi = 0.77257328299 TCL: Center of mass = 44.995457015 -1.18684688846 -3.66343374479 TCL: atom 1: phi = 0.77144414149 TCL: Center of mass = 44.9988732217 -1.18704926973 -3.66353666758 TCL: atom 1: phi = 0.770602236406 TCL: Center of mass = 45.0022993214 -1.18724342398 -3.66364085932 TCL: atom 1: phi = 0.769595634429 TCL: Center of mass = 45.0057269456 -1.18743303571 -3.66373252872 TCL: atom 1: phi = 0.768984534413 TCL: Center of mass = 45.0091530635 -1.18762328875 -3.66383194537 TCL: atom 1: phi = 0.768162290641 TCL: Center of mass = 45.01258404 -1.18781573016 -3.66392066055 TCL: atom 1: phi = 0.767579153364 TCL: Center of mass = 45.0160135465 -1.18801484368 -3.66400747096 TCL: atom 1: phi = 0.766660903053 TCL: Center of mass = 45.0194439915 -1.18821808173 -3.664093647 TCL: atom 1: phi = 0.765842317113 TCL: Center of mass = 45.0228651962 -1.18842775182 -3.66418342004 TCL: atom 1: phi = 0.764630392897 TCL: Center of mass = 45.0262907462 -1.18863335867 -3.66426704951 TCL: atom 1: phi = 0.763517834404 TCL: Center of mass = 45.0297174898 -1.18884286836 -3.66435041225 TCL: atom 1: phi = 0.762095191279 TCL: Center of mass = 45.0331371491 -1.18906704447 -3.66441719642 TCL: atom 1: phi = 0.760981718953 TCL: Center of mass = 45.036554231 -1.18929172261 -3.66447844618 TCL: atom 1: phi = 0.759751259016 TCL: Center of mass = 45.0399736488 -1.18951887472 -3.66453876439 TCL: atom 1: phi = 0.758910073203 TCL: Center of mass = 45.0434026588 -1.18975113532 -3.66460958489 TCL: atom 1: phi = 0.758100799548 TCL: Center of mass = 45.0468221365 -1.1899698475 -3.66468120281 TCL: atom 1: phi = 0.75770955697 TCL: Center of mass = 45.0502529114 -1.1901944165 -3.66475614438 TCL: atom 1: phi = 0.757235028082 TCL: Center of mass = 45.0536827134 -1.19041760423 -3.66482078002 TCL: atom 1: phi = 0.757026138945 TCL: Center of mass = 45.0571119392 -1.1906345351 -3.66488220829 TCL: atom 1: phi = 0.756640648137 TCL: Center of mass = 45.060544248 -1.19084884253 -3.66494579086 TCL: atom 1: phi = 0.75651877779 TCL: Center of mass = 45.0639773459 -1.19106313245 -3.66500956815 TCL: atom 1: phi = 0.756282315186 TCL: Center of mass = 45.0674159279 -1.191284626 -3.66508358143 TCL: atom 1: phi = 0.756370016445 TCL: Center of mass = 45.0708640535 -1.19149358187 -3.66515080467 TCL: atom 1: phi = 0.756476053378 TCL: Center of mass = 45.0743190088 -1.19170049378 -3.6652172874 TCL: atom 1: phi = 0.757012388234 TCL: Center of mass = 45.0777703029 -1.19190416511 -3.66528248472 TCL: atom 1: phi = 0.757563875433 TCL: Center of mass = 45.0812151792 -1.19210271842 -3.66534931131 TCL: atom 1: phi = 0.758426703316 TCL: Center of mass = 45.0846510814 -1.19230204446 -3.66540577063 TCL: atom 1: phi = 0.759102657238 TCL: Center of mass = 45.0880883487 -1.19250527831 -3.66545913543 TCL: atom 1: phi = 0.759895039152 TIMING: 15400 CPU: 2642.56, 0.172614/step Wall: 3230.53, 0.210749/step, 0.269291 hours remaining, 22051 kB of memory in use. ENERGY: 15400 383.8842 682.2197 413.5991 38.1581 -2770.2668 -216.2647 0.0000 0.0000 1174.2338 -294.4367 320.0115 -285.8164 -285.4062 317.6706 1624.4402 1139.2478 64000.0000 885.8798 898.0093 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15400 WRITING COORDINATES TO DCD FILE AT STEP 15400 WRITING COORDINATES TO RESTART FILE AT STEP 15400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 45.0915170019 -1.19271297577 -3.66551747339 TCL: atom 1: phi = 0.76024415266 TCL: Center of mass = 45.0949531243 -1.19291438086 -3.66557537847 TCL: atom 1: phi = 0.760608276157 TCL: Center of mass = 45.0983913805 -1.19312953381 -3.66563628146 TCL: atom 1: phi = 0.760586123519 TCL: Center of mass = 45.1018330322 -1.19334829584 -3.66568922449 TCL: atom 1: phi = 0.760763630334 TCL: Center of mass = 45.1052707241 -1.19356309678 -3.66575012156 TCL: atom 1: phi = 0.760654619472 TCL: Center of mass = 45.1087157661 -1.19378042911 -3.66581571229 TCL: atom 1: phi = 0.760824763941 TCL: Center of mass = 45.1121461251 -1.19399341971 -3.66589053527 TCL: atom 1: phi = 0.760850017661 TCL: Center of mass = 45.1155828543 -1.19420352853 -3.66596351817 TCL: atom 1: phi = 0.761189674346 TCL: Center of mass = 45.1190215179 -1.19441196526 -3.66603126964 TCL: atom 1: phi = 0.761289303202 TCL: Center of mass = 45.1224536405 -1.19461910801 -3.66609887477 TCL: atom 1: phi = 0.761624642054 TCL: Center of mass = 45.1258869165 -1.19482394494 -3.66617405348 TCL: atom 1: phi = 0.761635004149 TCL: Center of mass = 45.129312543 -1.19503348865 -3.66624075056 TCL: atom 1: phi = 0.761789371446 TCL: Center of mass = 45.1327417704 -1.1952583096 -3.66630473016 TCL: atom 1: phi = 0.761691847068 TCL: Center of mass = 45.1361733884 -1.19547903617 -3.666369409 TCL: atom 1: phi = 0.761872727786 TCL: Center of mass = 45.1396012222 -1.19571067904 -3.66642984929 TCL: atom 1: phi = 0.761874304057 TCL: Center of mass = 45.1430419493 -1.19592993572 -3.66648184946 TCL: atom 1: phi = 0.762245542316 TCL: Center of mass = 45.1464971581 -1.19615162405 -3.6665467868 TCL: atom 1: phi = 0.762448492711 TCL: Center of mass = 45.1499459257 -1.1963729523 -3.66660662177 TCL: atom 1: phi = 0.763037006622 TCL: Center of mass = 45.1533890405 -1.19660220774 -3.66666822613 TCL: atom 1: phi = 0.763462478381 TCL: Center of mass = 45.1568464717 -1.19683515133 -3.6667218503 TCL: atom 1: phi = 0.764165985871 TCL: Center of mass = 45.1603076416 -1.19706938076 -3.66677535522 TCL: atom 1: phi = 0.764475199325 TCL: Center of mass = 45.1637707081 -1.19730594726 -3.66682485278 TCL: atom 1: phi = 0.764903219832 TCL: Center of mass = 45.1672447358 -1.19754004829 -3.66687469102 TCL: atom 1: phi = 0.764861006597 TCL: Center of mass = 45.1707252806 -1.19777880425 -3.66692265364 TCL: atom 1: phi = 0.764921731462 TCL: Center of mass = 45.1742048094 -1.19801528204 -3.66696739929 TCL: atom 1: phi = 0.764605250833 TCL: Center of mass = 45.1776830279 -1.19825079754 -3.66701541886 TCL: atom 1: phi = 0.764516188237 TCL: Center of mass = 45.1811471049 -1.19850651001 -3.66705107465 TCL: atom 1: phi = 0.764119557097 TCL: Center of mass = 45.1846153136 -1.19876079035 -3.66709109163 TCL: atom 1: phi = 0.764090551025 TCL: Center of mass = 45.1880775994 -1.19901496107 -3.66711833829 TCL: atom 1: phi = 0.763782002066 TCL: Center of mass = 45.19154842 -1.19926532211 -3.66714883124 TCL: atom 1: phi = 0.763765399715 TCL: Center of mass = 45.1950223024 -1.19952391748 -3.6671812563 TCL: atom 1: phi = 0.763443923 TCL: Center of mass = 45.1984931017 -1.19978380564 -3.66722094492 TCL: atom 1: phi = 0.7634303016 TCL: Center of mass = 45.2019599477 -1.20004208451 -3.66725932607 TCL: atom 1: phi = 0.763077211317 TCL: Center of mass = 45.205428497 -1.2002933313 -3.6672984527 TCL: atom 1: phi = 0.763055707181 TCL: Center of mass = 45.2088909647 -1.20054508038 -3.66734701811 TCL: atom 1: phi = 0.762761587206 TCL: Center of mass = 45.212340241 -1.20079715746 -3.66739361877 TCL: atom 1: phi = 0.762857876451 TCL: Center of mass = 45.2157790692 -1.20104476185 -3.66743372833 TCL: atom 1: phi = 0.762732894857 TCL: Center of mass = 45.2192219441 -1.20128878032 -3.66746958635 TCL: atom 1: phi = 0.763085559997 TCL: Center of mass = 45.2226644063 -1.20153429064 -3.66750965161 TCL: atom 1: phi = 0.763221239481 TCL: Center of mass = 45.2261081453 -1.20176373744 -3.66754362591 TCL: atom 1: phi = 0.76367512147 TCL: Center of mass = 45.2295526857 -1.20198933533 -3.66758023017 TCL: atom 1: phi = 0.763726894995 TCL: Center of mass = 45.2330079628 -1.20221761011 -3.66761258779 TCL: atom 1: phi = 0.764037973066 TCL: Center of mass = 45.2364610879 -1.20244057582 -3.66765100001 TCL: atom 1: phi = 0.763853306839 TCL: Center of mass = 45.2399103572 -1.20266568445 -3.66769330057 TCL: atom 1: phi = 0.76383384081 TCL: Center of mass = 45.2433628783 -1.20289461294 -3.66774387974 TCL: atom 1: phi = 0.763322400985 TCL: Center of mass = 45.2468036803 -1.20312888258 -3.66778871962 TCL: atom 1: phi = 0.763052348445 TCL: Center of mass = 45.250232135 -1.20336653914 -3.66783638825 TCL: atom 1: phi = 0.762450307825 TCL: Center of mass = 45.2536603228 -1.20359194586 -3.66788353449 TCL: atom 1: phi = 0.762171289854 TCL: Center of mass = 45.2570848188 -1.20382088557 -3.66791342087 TCL: atom 1: phi = 0.761625265154 TCL: Center of mass = 45.2605061889 -1.20404113301 -3.66794733958 TCL: atom 1: phi = 0.761365571329 TCL: Center of mass = 45.2639248149 -1.20426079365 -3.66797342215 TCL: atom 1: phi = 0.760807663864 TCL: Center of mass = 45.2673364503 -1.20448006895 -3.66799506707 TCL: atom 1: phi = 0.760560267809 TCL: Center of mass = 45.2707367458 -1.2047088728 -3.66802888391 TCL: atom 1: phi = 0.760097105048 TCL: Center of mass = 45.2741400341 -1.2049487704 -3.66806545732 TCL: atom 1: phi = 0.7599220688 TCL: Center of mass = 45.2775516944 -1.20518184759 -3.66810360828 TCL: atom 1: phi = 0.759608192703 TCL: Center of mass = 45.2809528638 -1.20541394501 -3.66813838096 TCL: atom 1: phi = 0.759675649922 TCL: Center of mass = 45.2843563859 -1.20565182628 -3.66817560363 TCL: atom 1: phi = 0.759668097356 TCL: Center of mass = 45.2877609299 -1.20590605619 -3.66820177898 TCL: atom 1: phi = 0.760171182894 TCL: Center of mass = 45.291158756 -1.20616092478 -3.66823108545 TCL: atom 1: phi = 0.760702486154 TCL: Center of mass = 45.294554238 -1.20640700523 -3.66826094965 TCL: atom 1: phi = 0.761662581636 TCL: Center of mass = 45.2979548171 -1.20664075388 -3.66828638985 TCL: atom 1: phi = 0.762547338793 TCL: Center of mass = 45.3013540266 -1.20688489196 -3.66831597015 TCL: atom 1: phi = 0.76374067658 TCL: Center of mass = 45.3047491054 -1.20713289052 -3.66834965708 TCL: atom 1: phi = 0.764747969012 TCL: Center of mass = 45.3081552571 -1.20738771234 -3.66837671233 TCL: atom 1: phi = 0.765922120242 TCL: Center of mass = 45.3115593488 -1.20764208932 -3.66841494735 TCL: atom 1: phi = 0.766865477948 TCL: Center of mass = 45.3149684481 -1.20790364558 -3.66846752759 TCL: atom 1: phi = 0.768014830215 TCL: Center of mass = 45.3183866842 -1.20816652224 -3.66851904939 TCL: atom 1: phi = 0.7689241791 TCL: Center of mass = 45.3218137497 -1.20843350916 -3.66857892278 TCL: atom 1: phi = 0.770056909354 TCL: Center of mass = 45.3252349325 -1.20869523409 -3.66864352427 TCL: atom 1: phi = 0.770968865667 TCL: Center of mass = 45.3286521032 -1.208954275 -3.66870598773 TCL: atom 1: phi = 0.772140585831 TCL: Center of mass = 45.3320702068 -1.2092253816 -3.6687573299 TCL: atom 1: phi = 0.773143360856 TCL: Center of mass = 45.3354893112 -1.20949044407 -3.66880660233 TCL: atom 1: phi = 0.774357137311 TCL: Center of mass = 45.3389055532 -1.2097513794 -3.66885421866 TCL: atom 1: phi = 0.775259971426 TCL: Center of mass = 45.3423275888 -1.2100138676 -3.66890233359 TCL: atom 1: phi = 0.776335748267 TCL: Center of mass = 45.3457563347 -1.2102719694 -3.66894924075 TCL: atom 1: phi = 0.77705418115 TCL: Center of mass = 45.3491924331 -1.21053446145 -3.66901371983 TCL: atom 1: phi = 0.777927863319 TCL: Center of mass = 45.3526187281 -1.21079320541 -3.66908049404 TCL: atom 1: phi = 0.778533637579 TCL: Center of mass = 45.3560420766 -1.21105539452 -3.66913635887 TCL: atom 1: phi = 0.779382856384 TCL: Center of mass = 45.3594533728 -1.21130419186 -3.66917503557 TCL: atom 1: phi = 0.779986505297 TCL: Center of mass = 45.3628642777 -1.21154244299 -3.66922187506 TCL: atom 1: phi = 0.780804872749 TCL: Center of mass = 45.3662691495 -1.21177692263 -3.66927367355 TCL: atom 1: phi = 0.781357026336 TCL: Center of mass = 45.3696829974 -1.21200743162 -3.66931884334 TCL: atom 1: phi = 0.782105200292 TCL: Center of mass = 45.3730921988 -1.21224889273 -3.66936489917 TCL: atom 1: phi = 0.782547824508 TCL: Center of mass = 45.3765052891 -1.21249779469 -3.66941405439 TCL: atom 1: phi = 0.783144925627 TCL: Center of mass = 45.3799186918 -1.21275442022 -3.66945174313 TCL: atom 1: phi = 0.783423131102 TCL: Center of mass = 45.3833228525 -1.21301907808 -3.66948287133 TCL: atom 1: phi = 0.783802615514 TCL: Center of mass = 45.386721408 -1.21327867012 -3.66951235179 TCL: atom 1: phi = 0.783914843779 TCL: Center of mass = 45.3901169858 -1.21352968739 -3.66953830958 TCL: atom 1: phi = 0.784161547748 TCL: Center of mass = 45.393519988 -1.21376506192 -3.66955604675 TCL: atom 1: phi = 0.784189862952 TCL: Center of mass = 45.3969150148 -1.21400153912 -3.66957853552 TCL: atom 1: phi = 0.784478314205 TCL: Center of mass = 45.4003141498 -1.21422583875 -3.66960646898 TCL: atom 1: phi = 0.784580560367 TCL: Center of mass = 45.4037068923 -1.21445231555 -3.66962952413 TCL: atom 1: phi = 0.784888471597 TCL: Center of mass = 45.4071026663 -1.21467232798 -3.66964614123 TCL: atom 1: phi = 0.785005954405 TCL: Center of mass = 45.4104945718 -1.21489383502 -3.66967111237 TCL: atom 1: phi = 0.785284213749 TCL: Center of mass = 45.4138939174 -1.2151249511 -3.66970233532 TCL: atom 1: phi = 0.785307088914 TCL: Center of mass = 45.4172845674 -1.21535907606 -3.66973312276 TCL: atom 1: phi = 0.7854962039 TCL: Center of mass = 45.4206699746 -1.21559863038 -3.66977144518 TCL: atom 1: phi = 0.78543345443 TCL: Center of mass = 45.4240525126 -1.21583599525 -3.66980651332 TCL: atom 1: phi = 0.785576620657 TCL: Center of mass = 45.4274332317 -1.21607889179 -3.6698386264 TCL: atom 1: phi = 0.785541869427 TCL: Center of mass = 45.4308073431 -1.21631842124 -3.66986399664 TCL: atom 1: phi = 0.785714082845 TIMING: 15500 CPU: 2659.9, 0.173334/step Wall: 3251.62, 0.210919/step, 0.263649 hours remaining, 22051 kB of memory in use. ENERGY: 15500 392.0048 674.8255 394.8028 45.0863 -2751.1631 -231.2380 0.0000 0.0000 1183.1916 -292.4900 322.4528 -283.9187 -283.0802 318.9382 1287.1761 1043.3977 64000.0000 1131.0509 1132.5905 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15500 WRITING COORDINATES TO DCD FILE AT STEP 15500 WRITING COORDINATES TO RESTART FILE AT STEP 15500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 45.4341739451 -1.21656149696 -3.66989002202 TCL: atom 1: phi = 0.785656151991 TCL: Center of mass = 45.4375402274 -1.21678940121 -3.66991085097 TCL: atom 1: phi = 0.785783356438 TCL: Center of mass = 45.440916381 -1.21701989487 -3.66994025191 TCL: atom 1: phi = 0.785724022771 TCL: Center of mass = 45.4442995644 -1.21724579655 -3.66997283999 TCL: atom 1: phi = 0.785809349735 TCL: Center of mass = 45.4476851236 -1.21745709651 -3.67000207623 TCL: atom 1: phi = 0.785642316525 TCL: Center of mass = 45.4510697502 -1.21767676973 -3.67003399169 TCL: atom 1: phi = 0.785610237886 TCL: Center of mass = 45.4544516181 -1.21789538861 -3.67005815734 TCL: atom 1: phi = 0.785355929168 TCL: Center of mass = 45.4578405307 -1.21810623943 -3.67008299528 TCL: atom 1: phi = 0.785275455589 TCL: Center of mass = 45.4612341614 -1.2183368969 -3.67011051036 TCL: atom 1: phi = 0.785076366144 TCL: Center of mass = 45.4646335805 -1.21856736795 -3.67014676123 TCL: atom 1: phi = 0.785079155351 TCL: Center of mass = 45.4680320833 -1.21878318809 -3.67017394499 TCL: atom 1: phi = 0.785032076787 TCL: Center of mass = 45.4714326123 -1.21900439315 -3.67019887175 TCL: atom 1: phi = 0.785225001379 TCL: Center of mass = 45.4748399369 -1.21922895132 -3.67022424759 TCL: atom 1: phi = 0.785358086656 TCL: Center of mass = 45.4782437646 -1.21945485075 -3.6702534733 TCL: atom 1: phi = 0.785772431135 TCL: Center of mass = 45.4816491722 -1.2196855997 -3.67027377171 TCL: atom 1: phi = 0.786113546501 TCL: Center of mass = 45.4850482542 -1.21991877893 -3.67029869262 TCL: atom 1: phi = 0.786644614343 TCL: Center of mass = 45.4884412697 -1.22015179102 -3.67033179722 TCL: atom 1: phi = 0.787035119079 TCL: Center of mass = 45.4918296082 -1.220376601 -3.67036473772 TCL: atom 1: phi = 0.787566547003 TCL: Center of mass = 45.49522225 -1.22059969685 -3.67040577551 TCL: atom 1: phi = 0.787960635466 TCL: Center of mass = 45.4986098862 -1.22082195921 -3.67045836936 TCL: atom 1: phi = 0.788520832524 TCL: Center of mass = 45.5020010461 -1.22104588967 -3.67050736272 TCL: atom 1: phi = 0.788914191949 TCL: Center of mass = 45.5053911202 -1.22126172509 -3.67054857772 TCL: atom 1: phi = 0.789494244556 TCL: Center of mass = 45.5087863538 -1.22147407418 -3.67058566501 TCL: atom 1: phi = 0.789950717853 TCL: Center of mass = 45.5121802179 -1.22168542541 -3.67063010696 TCL: atom 1: phi = 0.790571120469 TCL: Center of mass = 45.5155774946 -1.22189784466 -3.67067400844 TCL: atom 1: phi = 0.790968588878 TCL: Center of mass = 45.5189793076 -1.22211716536 -3.67071123614 TCL: atom 1: phi = 0.791507600277 TCL: Center of mass = 45.5223858514 -1.22233650891 -3.67074878411 TCL: atom 1: phi = 0.791822805888 TCL: Center of mass = 45.5257859228 -1.2225536756 -3.67078926864 TCL: atom 1: phi = 0.792300185482 TCL: Center of mass = 45.5291935676 -1.22276425184 -3.67082607305 TCL: atom 1: phi = 0.792642880754 TCL: Center of mass = 45.5326078062 -1.22296022718 -3.67083757108 TCL: atom 1: phi = 0.793209076902 TCL: Center of mass = 45.5360248029 -1.22315312444 -3.6708430462 TCL: atom 1: phi = 0.793647166632 TCL: Center of mass = 45.5394543379 -1.22334221752 -3.6708467998 TCL: atom 1: phi = 0.794342654032 TCL: Center of mass = 45.5428833924 -1.22353515933 -3.67084569954 TCL: atom 1: phi = 0.794923624738 TCL: Center of mass = 45.5463071378 -1.2237276706 -3.67083578759 TCL: atom 1: phi = 0.795855417648 TCL: Center of mass = 45.5497315712 -1.22393929356 -3.67081749971 TCL: atom 1: phi = 0.796733001185 TCL: Center of mass = 45.5531441814 -1.22416059727 -3.67080414731 TCL: atom 1: phi = 0.79785460619 TCL: Center of mass = 45.556557143 -1.2243811391 -3.67080124875 TCL: atom 1: phi = 0.798800252913 TCL: Center of mass = 45.5599627935 -1.22460403555 -3.67079272676 TCL: atom 1: phi = 0.799943502432 TCL: Center of mass = 45.5633592573 -1.22482273876 -3.67079071393 TCL: atom 1: phi = 0.800860699096 TCL: Center of mass = 45.5667474975 -1.22503985904 -3.67078085402 TCL: atom 1: phi = 0.802013147931 TCL: Center of mass = 45.5701376814 -1.22526312871 -3.67076000693 TCL: atom 1: phi = 0.802875876834 TCL: Center of mass = 45.5735301012 -1.22548168277 -3.67074202672 TCL: atom 1: phi = 0.803983904348 TCL: Center of mass = 45.5769282288 -1.22570566804 -3.67072080412 TCL: atom 1: phi = 0.804823400326 TCL: Center of mass = 45.5803340027 -1.22594078419 -3.67071102802 TCL: atom 1: phi = 0.805910055187 TCL: Center of mass = 45.5837433023 -1.22617702034 -3.67070987942 TCL: atom 1: phi = 0.806677358495 TCL: Center of mass = 45.5871447673 -1.2264087165 -3.67071442573 TCL: atom 1: phi = 0.807630191211 TCL: Center of mass = 45.5905486811 -1.22664275413 -3.67072154654 TCL: atom 1: phi = 0.808186652433 TCL: Center of mass = 45.5939577383 -1.22687385897 -3.67072573972 TCL: atom 1: phi = 0.808917950179 TCL: Center of mass = 45.5973520147 -1.22709791601 -3.67074174478 TCL: atom 1: phi = 0.809240449838 TCL: Center of mass = 45.6007496652 -1.22731936317 -3.67075993548 TCL: atom 1: phi = 0.809751500747 TCL: Center of mass = 45.6041381937 -1.22754301924 -3.67078047015 TCL: atom 1: phi = 0.809847731976 TCL: Center of mass = 45.6075323093 -1.22776896069 -3.67079225122 TCL: atom 1: phi = 0.810249383608 TCL: Center of mass = 45.6109363116 -1.22798879206 -3.67079632964 TCL: atom 1: phi = 0.810306945666 TCL: Center of mass = 45.6143344891 -1.22819687768 -3.67082021837 TCL: atom 1: phi = 0.810631488289 TCL: Center of mass = 45.6177405129 -1.22840374789 -3.67083724983 TCL: atom 1: phi = 0.81055353079 TCL: Center of mass = 45.6211493191 -1.22860698996 -3.67084453223 TCL: atom 1: phi = 0.810730041877 TCL: Center of mass = 45.6245423083 -1.22881236584 -3.67084785148 TCL: atom 1: phi = 0.810488279582 TCL: Center of mass = 45.6279249181 -1.22901745133 -3.67085762316 TCL: atom 1: phi = 0.810426592773 TCL: Center of mass = 45.6313109196 -1.22923144895 -3.67087235395 TCL: atom 1: phi = 0.8100296439 TCL: Center of mass = 45.6347035319 -1.22945370743 -3.67088290244 TCL: atom 1: phi = 0.809877514394 TCL: Center of mass = 45.6381020843 -1.22966981507 -3.67089889539 TCL: atom 1: phi = 0.809364135567 TCL: Center of mass = 45.6414999237 -1.2298867416 -3.67091464611 TCL: atom 1: phi = 0.809118467837 TCL: Center of mass = 45.6448944498 -1.23010351609 -3.67093127348 TCL: atom 1: phi = 0.80859719863 TCL: Center of mass = 45.6482901887 -1.23031258202 -3.67095169864 TCL: atom 1: phi = 0.808345306081 TCL: Center of mass = 45.6516847652 -1.23052231213 -3.67097707717 TCL: atom 1: phi = 0.807835502901 TCL: Center of mass = 45.6550812263 -1.2307431427 -3.67100041757 TCL: atom 1: phi = 0.80762686136 TCL: Center of mass = 45.658477333 -1.23097855665 -3.67102369156 TCL: atom 1: phi = 0.807175099574 TCL: Center of mass = 45.6618829233 -1.2312183122 -3.67104398618 TCL: atom 1: phi = 0.807001442298 TCL: Center of mass = 45.6652997428 -1.23145786058 -3.67105963668 TCL: atom 1: phi = 0.806624372623 TCL: Center of mass = 45.6687183012 -1.23169903186 -3.6710863578 TCL: atom 1: phi = 0.806412169327 TCL: Center of mass = 45.6721387647 -1.23194524449 -3.6711159439 TCL: atom 1: phi = 0.805954447395 TCL: Center of mass = 45.6755688348 -1.23220228343 -3.67114912888 TCL: atom 1: phi = 0.80571490452 TCL: Center of mass = 45.6790131354 -1.23246640457 -3.67118270227 TCL: atom 1: phi = 0.805247389986 TCL: Center of mass = 45.6824525605 -1.23273673617 -3.67121922097 TCL: atom 1: phi = 0.805097008009 TCL: Center of mass = 45.6858917991 -1.23300445239 -3.67125258468 TCL: atom 1: phi = 0.804823534138 TCL: Center of mass = 45.689335248 -1.23328054315 -3.67127796096 TCL: atom 1: phi = 0.804861678745 TCL: Center of mass = 45.6927709564 -1.23356670159 -3.67130263359 TCL: atom 1: phi = 0.804772139509 TCL: Center of mass = 45.6962015541 -1.23385162734 -3.67132899814 TCL: atom 1: phi = 0.804933659016 TCL: Center of mass = 45.6996330205 -1.23413330361 -3.67136230305 TCL: atom 1: phi = 0.804887019512 TCL: Center of mass = 45.7030676384 -1.23441239733 -3.67140025582 TCL: atom 1: phi = 0.805048993772 TCL: Center of mass = 45.7065092799 -1.23468151335 -3.67144092843 TCL: atom 1: phi = 0.805067594677 TCL: Center of mass = 45.7099507012 -1.23494132803 -3.67147417879 TCL: atom 1: phi = 0.805342923792 TCL: Center of mass = 45.7133844247 -1.2352143886 -3.67149790982 TCL: atom 1: phi = 0.805443237911 TCL: Center of mass = 45.7168299578 -1.23549124089 -3.67151865042 TCL: atom 1: phi = 0.805706498911 TCL: Center of mass = 45.7202664844 -1.23576674252 -3.67153856653 TCL: atom 1: phi = 0.805754226689 TCL: Center of mass = 45.7236964475 -1.23604503019 -3.67155489564 TCL: atom 1: phi = 0.806034057474 TCL: Center of mass = 45.7271263369 -1.23631202057 -3.67157621876 TCL: atom 1: phi = 0.806094870334 TCL: Center of mass = 45.7305533412 -1.23657383367 -3.67159348686 TCL: atom 1: phi = 0.806328181807 TCL: Center of mass = 45.7339876504 -1.23684111681 -3.67160592276 TCL: atom 1: phi = 0.806382096053 TCL: Center of mass = 45.7374217598 -1.23710388502 -3.67161622546 TCL: atom 1: phi = 0.806657737717 TCL: Center of mass = 45.7408529106 -1.23736634162 -3.67162157313 TCL: atom 1: phi = 0.806759533935 TCL: Center of mass = 45.7442878428 -1.23762163597 -3.67162927504 TCL: atom 1: phi = 0.807083942965 TCL: Center of mass = 45.747737753 -1.23788083474 -3.67163315825 TCL: atom 1: phi = 0.807190005647 TCL: Center of mass = 45.7511863583 -1.23814480137 -3.67163246834 TCL: atom 1: phi = 0.807501240964 TCL: Center of mass = 45.7546364238 -1.23840926124 -3.67162811306 TCL: atom 1: phi = 0.807676973959 TCL: Center of mass = 45.7580797836 -1.2386665331 -3.67162286905 TCL: atom 1: phi = 0.808122985443 TCL: Center of mass = 45.7615141537 -1.23892010723 -3.6716164845 TCL: atom 1: phi = 0.808432445228 TCL: Center of mass = 45.7649626302 -1.23915799964 -3.6716089059 TCL: atom 1: phi = 0.809058062943 TCL: Center of mass = 45.7684158416 -1.23938258693 -3.67161260179 TCL: atom 1: phi = 0.809541222356 TCL: Center of mass = 45.7718644512 -1.23960472524 -3.67160842719 TCL: atom 1: phi = 0.810291017443 TIMING: 15600 CPU: 2677.12, 0.172204/step Wall: 3272.74, 0.211157/step, 0.258081 hours remaining, 22051 kB of memory in use. ENERGY: 15600 405.6739 696.6719 410.3999 45.3058 -2783.8009 -208.1440 0.0000 0.0000 1158.9593 -274.9341 315.8488 -265.7185 -267.2451 320.8443 1034.4937 907.5801 64000.0000 1257.6302 1259.4914 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15600 WRITING COORDINATES TO DCD FILE AT STEP 15600 WRITING COORDINATES TO RESTART FILE AT STEP 15600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 45.7753148201 -1.23983810811 -3.67161375268 TCL: atom 1: phi = 0.810840486833 TCL: Center of mass = 45.778752129 -1.24007942858 -3.6716061233 TCL: atom 1: phi = 0.811608158666 TCL: Center of mass = 45.7821759719 -1.24031634962 -3.6716050557 TCL: atom 1: phi = 0.812202813837 TCL: Center of mass = 45.7855945509 -1.24055007329 -3.67160499991 TCL: atom 1: phi = 0.81301244754 TCL: Center of mass = 45.7890094495 -1.24078453012 -3.67160258109 TCL: atom 1: phi = 0.813594614437 TCL: Center of mass = 45.7924231068 -1.24102018333 -3.67158787021 TCL: atom 1: phi = 0.814405206421 TCL: Center of mass = 45.7958343674 -1.24126147685 -3.67157750891 TCL: atom 1: phi = 0.814919443968 TCL: Center of mass = 45.7992486346 -1.24149473109 -3.67156898906 TCL: atom 1: phi = 0.815643519063 TCL: Center of mass = 45.8026629066 -1.24171983209 -3.67156313501 TCL: atom 1: phi = 0.816082149187 TCL: Center of mass = 45.8060861163 -1.24194564878 -3.67155721721 TCL: atom 1: phi = 0.816695333981 TCL: Center of mass = 45.8095141367 -1.24216872408 -3.671555031 TCL: atom 1: phi = 0.816968988719 TCL: Center of mass = 45.8129519264 -1.242377793 -3.67155544316 TCL: atom 1: phi = 0.817383480295 TCL: Center of mass = 45.8163904001 -1.24259682047 -3.67155755731 TCL: atom 1: phi = 0.817443078804 TCL: Center of mass = 45.819833134 -1.24281245678 -3.67156460794 TCL: atom 1: phi = 0.817593161171 TCL: Center of mass = 45.8232755189 -1.24302387633 -3.67158405663 TCL: atom 1: phi = 0.817340790965 TCL: Center of mass = 45.8267095946 -1.24325067209 -3.67160942176 TCL: atom 1: phi = 0.817183417284 TCL: Center of mass = 45.8301486774 -1.2434780828 -3.67164046149 TCL: atom 1: phi = 0.816626602493 TCL: Center of mass = 45.8335867882 -1.24370378879 -3.67167514155 TCL: atom 1: phi = 0.816193357939 TCL: Center of mass = 45.8370199589 -1.24393140716 -3.67170724003 TCL: atom 1: phi = 0.815352942029 TCL: Center of mass = 45.8404523959 -1.24415735624 -3.67172138135 TCL: atom 1: phi = 0.814617627582 TCL: Center of mass = 45.8438773808 -1.24439467241 -3.67173919 TCL: atom 1: phi = 0.813556241269 TCL: Center of mass = 45.8472978875 -1.24462565652 -3.67174147387 TCL: atom 1: phi = 0.812683148474 TCL: Center of mass = 45.8507169652 -1.24485199996 -3.67175159063 TCL: atom 1: phi = 0.811591549869 TCL: Center of mass = 45.8541306055 -1.24507814774 -3.67176799068 TCL: atom 1: phi = 0.81077731465 TCL: Center of mass = 45.857543957 -1.24529785527 -3.67179770203 TCL: atom 1: phi = 0.809737279338 TCL: Center of mass = 45.8609517774 -1.24550487744 -3.67182616399 TCL: atom 1: phi = 0.808945072229 TCL: Center of mass = 45.8643579527 -1.24571113087 -3.67184879156 TCL: atom 1: phi = 0.80795322101 TCL: Center of mass = 45.8677724551 -1.24592552272 -3.67187639961 TCL: atom 1: phi = 0.807167199586 TCL: Center of mass = 45.8711728575 -1.24613807496 -3.67191658468 TCL: atom 1: phi = 0.8061524759 TCL: Center of mass = 45.8745688509 -1.24635123517 -3.67195105126 TCL: atom 1: phi = 0.805311169913 TCL: Center of mass = 45.8779626278 -1.24656016894 -3.67198770777 TCL: atom 1: phi = 0.804292456685 TCL: Center of mass = 45.8813590804 -1.24676908243 -3.6720304954 TCL: atom 1: phi = 0.80354104526 TCL: Center of mass = 45.8847501085 -1.2469812632 -3.67207667719 TCL: atom 1: phi = 0.802644765066 TCL: Center of mass = 45.8881458751 -1.24718396327 -3.67212808907 TCL: atom 1: phi = 0.801946079615 TCL: Center of mass = 45.8915379258 -1.2473839516 -3.67217912675 TCL: atom 1: phi = 0.801185724406 TCL: Center of mass = 45.8949357167 -1.2475826859 -3.67222720405 TCL: atom 1: phi = 0.800611395215 TCL: Center of mass = 45.8983445429 -1.24778723318 -3.67229091511 TCL: atom 1: phi = 0.799865529033 TCL: Center of mass = 45.9017581574 -1.24798162201 -3.67233150302 TCL: atom 1: phi = 0.799301155444 TCL: Center of mass = 45.9051695929 -1.24816647624 -3.67237309694 TCL: atom 1: phi = 0.7986317262 TCL: Center of mass = 45.9085850342 -1.24835261666 -3.6724159524 TCL: atom 1: phi = 0.798176838609 TCL: Center of mass = 45.9120062965 -1.24853571008 -3.67245570341 TCL: atom 1: phi = 0.797613643735 TCL: Center of mass = 45.9154302182 -1.24872666615 -3.67250076916 TCL: atom 1: phi = 0.797307461928 TCL: Center of mass = 45.9188359966 -1.24891316897 -3.67253308672 TCL: atom 1: phi = 0.796962146008 TCL: Center of mass = 45.9222523444 -1.24909858497 -3.67256776496 TCL: atom 1: phi = 0.796918594777 TCL: Center of mass = 45.9256818609 -1.2492867176 -3.67260165312 TCL: atom 1: phi = 0.796859866481 TCL: Center of mass = 45.9291078962 -1.24948347734 -3.67262766467 TCL: atom 1: phi = 0.797096254633 TCL: Center of mass = 45.9325426044 -1.24968340664 -3.67265502428 TCL: atom 1: phi = 0.797326318849 TCL: Center of mass = 45.9359848572 -1.24989217718 -3.67268349844 TCL: atom 1: phi = 0.797813645355 TCL: Center of mass = 45.939429087 -1.25010582462 -3.67272054746 TCL: atom 1: phi = 0.798274744271 TCL: Center of mass = 45.9428826584 -1.25032170793 -3.67274796858 TCL: atom 1: phi = 0.799023094599 TCL: Center of mass = 45.9463374442 -1.25053632936 -3.67278520126 TCL: atom 1: phi = 0.799779618295 TCL: Center of mass = 45.9497952547 -1.25075961036 -3.67283166822 TCL: atom 1: phi = 0.800787755076 TCL: Center of mass = 45.953242708 -1.25099163865 -3.67288688513 TCL: atom 1: phi = 0.801765954596 TCL: Center of mass = 45.9566827199 -1.2512230808 -3.67293378586 TCL: atom 1: phi = 0.802958767213 TCL: Center of mass = 45.9601212139 -1.25145830471 -3.67297472443 TCL: atom 1: phi = 0.804016958325 TCL: Center of mass = 45.9635578026 -1.25168305693 -3.67303230319 TCL: atom 1: phi = 0.805264001947 TCL: Center of mass = 45.966991419 -1.25189713716 -3.67307839907 TCL: atom 1: phi = 0.806191132144 TCL: Center of mass = 45.9704340072 -1.25212061478 -3.67311339531 TCL: atom 1: phi = 0.80715145065 TCL: Center of mass = 45.9738792406 -1.25234774094 -3.67314887196 TCL: atom 1: phi = 0.807744715297 TCL: Center of mass = 45.9773282006 -1.2525628448 -3.67317510917 TCL: atom 1: phi = 0.808328757451 TCL: Center of mass = 45.9807782348 -1.25277047304 -3.67320137891 TCL: atom 1: phi = 0.808537629809 TCL: Center of mass = 45.9842388851 -1.25298433221 -3.67323653832 TCL: atom 1: phi = 0.808888716896 TCL: Center of mass = 45.9876896663 -1.25318271351 -3.67327398508 TCL: atom 1: phi = 0.808988667001 TCL: Center of mass = 45.9911360441 -1.25337569956 -3.67330750854 TCL: atom 1: phi = 0.80929382921 TCL: Center of mass = 45.9945783876 -1.25355680235 -3.67335290301 TCL: atom 1: phi = 0.809317210942 TCL: Center of mass = 45.9980126964 -1.2537340354 -3.67337973073 TCL: atom 1: phi = 0.809638610284 TCL: Center of mass = 46.0014466694 -1.25390441262 -3.67340933913 TCL: atom 1: phi = 0.809689738211 TCL: Center of mass = 46.0048751513 -1.25407634283 -3.67344596114 TCL: atom 1: phi = 0.809971014239 TCL: Center of mass = 46.0083049508 -1.25424325831 -3.67349860082 TCL: atom 1: phi = 0.809988967369 TCL: Center of mass = 46.0117384134 -1.25441694119 -3.67354975841 TCL: atom 1: phi = 0.810262938687 TCL: Center of mass = 46.0151807441 -1.25459282829 -3.6735985207 TCL: atom 1: phi = 0.810267247878 TCL: Center of mass = 46.0186202902 -1.25477428935 -3.67364647222 TCL: atom 1: phi = 0.81055238422 TCL: Center of mass = 46.0220594368 -1.25495925394 -3.67369078838 TCL: atom 1: phi = 0.810632814356 TCL: Center of mass = 46.0254928623 -1.25515165348 -3.67374419698 TCL: atom 1: phi = 0.810952638322 TCL: Center of mass = 46.0289207793 -1.25535542205 -3.67379910547 TCL: atom 1: phi = 0.811018038708 TCL: Center of mass = 46.0323411345 -1.25555819837 -3.67384638413 TCL: atom 1: phi = 0.81126220437 TCL: Center of mass = 46.0357536531 -1.25575807543 -3.67389952626 TCL: atom 1: phi = 0.811134199771 TCL: Center of mass = 46.0391573469 -1.25595554792 -3.67395231447 TCL: atom 1: phi = 0.811187083419 TCL: Center of mass = 46.0425680856 -1.25613616706 -3.67400048731 TCL: atom 1: phi = 0.810827215506 TCL: Center of mass = 46.0459979629 -1.25631178774 -3.67403938731 TCL: atom 1: phi = 0.810608276898 TCL: Center of mass = 46.0494281792 -1.25648972276 -3.67406907828 TCL: atom 1: phi = 0.810058692195 TCL: Center of mass = 46.0528632578 -1.25668034542 -3.6741010052 TCL: atom 1: phi = 0.809729812226 TCL: Center of mass = 46.0562988979 -1.25685968427 -3.67413343202 TCL: atom 1: phi = 0.809161465339 TCL: Center of mass = 46.0597393333 -1.25702546077 -3.67418148961 TCL: atom 1: phi = 0.808862639986 TCL: Center of mass = 46.0631646875 -1.25719721004 -3.67422600526 TCL: atom 1: phi = 0.808375121776 TCL: Center of mass = 46.0665834257 -1.2573698649 -3.67426416923 TCL: atom 1: phi = 0.808220575177 TCL: Center of mass = 46.0699979432 -1.25754918332 -3.67429710292 TCL: atom 1: phi = 0.807883255544 TCL: Center of mass = 46.0734200274 -1.25772080974 -3.67433261238 TCL: atom 1: phi = 0.80785467296 TCL: Center of mass = 46.0768279535 -1.25789478091 -3.67437069601 TCL: atom 1: phi = 0.807630696182 TCL: Center of mass = 46.0802377997 -1.25806007923 -3.67440904904 TCL: atom 1: phi = 0.807704134108 TCL: Center of mass = 46.0836404598 -1.25822397562 -3.67444067512 TCL: atom 1: phi = 0.807571156519 TCL: Center of mass = 46.0870571281 -1.25837931052 -3.67445703122 TCL: atom 1: phi = 0.80775424655 TCL: Center of mass = 46.0904773361 -1.2585272843 -3.67447617855 TCL: atom 1: phi = 0.807763595769 TCL: Center of mass = 46.0938888015 -1.25868365573 -3.67450068717 TCL: atom 1: phi = 0.8080978669 TCL: Center of mass = 46.0973056897 -1.25884274197 -3.67451869486 TCL: atom 1: phi = 0.808209967194 TCL: Center of mass = 46.1007249294 -1.25899937908 -3.67453987732 TCL: atom 1: phi = 0.808561738265 TCL: Center of mass = 46.104136385 -1.25915963334 -3.67456002 TCL: atom 1: phi = 0.808623736618 TCL: Center of mass = 46.1075405673 -1.25931996323 -3.67458681626 TCL: atom 1: phi = 0.808814688815 TCL: Center of mass = 46.1109422107 -1.25949008201 -3.67460809447 TCL: atom 1: phi = 0.808617707156 TCL: Center of mass = 46.1143477406 -1.25964805077 -3.6746361684 TCL: atom 1: phi = 0.808527104116 TIMING: 15700 CPU: 2694.34, 0.172234/step Wall: 3293.84, 0.211014/step, 0.252045 hours remaining, 22051 kB of memory in use. ENERGY: 15700 396.2642 721.2462 416.9983 44.3731 -2797.8688 -236.0940 0.0000 0.0000 1171.7650 -283.3161 319.3387 -274.9418 -273.5607 320.0347 959.6079 945.0954 64000.0000 1105.0872 1111.1170 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15700 WRITING COORDINATES TO DCD FILE AT STEP 15700 WRITING COORDINATES TO RESTART FILE AT STEP 15700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 46.1177410587 -1.25980877272 -3.67467163988 TCL: atom 1: phi = 0.808007248765 TCL: Center of mass = 46.1211342571 -1.25996709484 -3.67470532627 TCL: atom 1: phi = 0.807660734066 TCL: Center of mass = 46.1245170442 -1.26013859534 -3.6747407244 TCL: atom 1: phi = 0.806991402525 TCL: Center of mass = 46.1279020361 -1.26031239884 -3.6747898975 TCL: atom 1: phi = 0.806548440785 TCL: Center of mass = 46.1312858635 -1.26049322049 -3.67485445538 TCL: atom 1: phi = 0.805924779407 TCL: Center of mass = 46.1346620662 -1.26068257206 -3.67491296021 TCL: atom 1: phi = 0.805610523868 TCL: Center of mass = 46.1380367168 -1.26086591886 -3.6749714176 TCL: atom 1: phi = 0.805105939456 TCL: Center of mass = 46.1414043173 -1.26104421536 -3.67504217502 TCL: atom 1: phi = 0.804898733878 TCL: Center of mass = 46.1447680808 -1.26121506554 -3.67512059123 TCL: atom 1: phi = 0.804562009166 TCL: Center of mass = 46.1481369105 -1.26138218535 -3.67519666047 TCL: atom 1: phi = 0.804479252918 TCL: Center of mass = 46.1515085686 -1.2615434369 -3.67527242259 TCL: atom 1: phi = 0.804283217334 TCL: Center of mass = 46.1548792223 -1.26170488965 -3.67535190554 TCL: atom 1: phi = 0.804425789739 TCL: Center of mass = 46.158257512 -1.26185751814 -3.67543192251 TCL: atom 1: phi = 0.804497138394 TCL: Center of mass = 46.1616345477 -1.26199656804 -3.6755066292 TCL: atom 1: phi = 0.804921679419 TCL: Center of mass = 46.1650122466 -1.262128012 -3.67557073413 TCL: atom 1: phi = 0.805318923094 TCL: Center of mass = 46.1683842476 -1.26227084285 -3.67562975041 TCL: atom 1: phi = 0.806081934706 TCL: Center of mass = 46.1717584686 -1.26241536223 -3.67568906881 TCL: atom 1: phi = 0.806765730553 TCL: Center of mass = 46.1751326243 -1.26256519038 -3.67575625122 TCL: atom 1: phi = 0.807728553206 TCL: Center of mass = 46.1785104441 -1.26270999096 -3.67582922396 TCL: atom 1: phi = 0.808461023027 TCL: Center of mass = 46.1818875892 -1.26284833661 -3.67589662945 TCL: atom 1: phi = 0.809423856148 TCL: Center of mass = 46.1852591297 -1.26299909272 -3.67596403933 TCL: atom 1: phi = 0.81007600803 TCL: Center of mass = 46.1886312662 -1.26315230901 -3.67602827497 TCL: atom 1: phi = 0.810946388035 TCL: Center of mass = 46.1920071336 -1.26331180162 -3.67609569783 TCL: atom 1: phi = 0.811500140754 TCL: Center of mass = 46.1953786878 -1.26346853329 -3.6761562834 TCL: atom 1: phi = 0.812320067115 TCL: Center of mass = 46.198759883 -1.26362233868 -3.67621180981 TCL: atom 1: phi = 0.812909182401 TCL: Center of mass = 46.2021442307 -1.26377682153 -3.67626442784 TCL: atom 1: phi = 0.813853358132 TCL: Center of mass = 46.2055354217 -1.2639360654 -3.67631155437 TCL: atom 1: phi = 0.814495942001 TCL: Center of mass = 46.2089332015 -1.2641000275 -3.67635864568 TCL: atom 1: phi = 0.815433672049 TCL: Center of mass = 46.2123317556 -1.26427921024 -3.67640161304 TCL: atom 1: phi = 0.815965444034 TCL: Center of mass = 46.2157375212 -1.26445329647 -3.67644122263 TCL: atom 1: phi = 0.816710669111 TCL: Center of mass = 46.2191575897 -1.26461992675 -3.67648439479 TCL: atom 1: phi = 0.816964521041 TCL: Center of mass = 46.2225811385 -1.26478292453 -3.6765314794 TCL: atom 1: phi = 0.817457159479 TCL: Center of mass = 46.2260005494 -1.26494903644 -3.67657530751 TCL: atom 1: phi = 0.817500352516 TCL: Center of mass = 46.2294116079 -1.26511342835 -3.67662127997 TCL: atom 1: phi = 0.817870601572 TCL: Center of mass = 46.2328229129 -1.26527360717 -3.67667010401 TCL: atom 1: phi = 0.817878192944 TCL: Center of mass = 46.2362418075 -1.26544166139 -3.67672574442 TCL: atom 1: phi = 0.818185364059 TCL: Center of mass = 46.2396572042 -1.26561660672 -3.67679404917 TCL: atom 1: phi = 0.818072071309 TCL: Center of mass = 46.243073212 -1.26579208497 -3.67686914181 TCL: atom 1: phi = 0.818194598723 TCL: Center of mass = 46.2464832793 -1.26596318142 -3.67694508574 TCL: atom 1: phi = 0.817916180486 TCL: Center of mass = 46.2499008522 -1.26614103262 -3.67703285231 TCL: atom 1: phi = 0.817789394145 TCL: Center of mass = 46.2533172026 -1.26631252682 -3.67711909825 TCL: atom 1: phi = 0.817234402588 TCL: Center of mass = 46.2567335679 -1.26649780543 -3.6772035088 TCL: atom 1: phi = 0.816855931644 TCL: Center of mass = 46.2601504696 -1.26668656548 -3.67728905477 TCL: atom 1: phi = 0.81613077697 TCL: Center of mass = 46.2635762647 -1.26688127822 -3.6773754471 TCL: atom 1: phi = 0.815700422535 TCL: Center of mass = 46.2670013547 -1.26706791538 -3.6774504423 TCL: atom 1: phi = 0.815092988966 TCL: Center of mass = 46.2704287823 -1.26725635178 -3.67752295344 TCL: atom 1: phi = 0.81487116024 TCL: Center of mass = 46.2738508478 -1.26744778468 -3.67760299049 TCL: atom 1: phi = 0.81456170267 TCL: Center of mass = 46.2772637464 -1.2676421675 -3.67768652552 TCL: atom 1: phi = 0.814641387059 TCL: Center of mass = 46.2806829546 -1.26782585075 -3.67777938273 TCL: atom 1: phi = 0.814548940739 TCL: Center of mass = 46.2841028365 -1.26802078762 -3.6778618689 TCL: atom 1: phi = 0.814692744632 TCL: Center of mass = 46.2875098026 -1.26822523292 -3.67793975131 TCL: atom 1: phi = 0.814589450988 TCL: Center of mass = 46.2909241705 -1.26842628485 -3.67802184768 TCL: atom 1: phi = 0.81467622953 TCL: Center of mass = 46.2943468854 -1.26863165519 -3.67810946462 TCL: atom 1: phi = 0.814534451663 TCL: Center of mass = 46.2977875146 -1.268840556 -3.6781917919 TCL: atom 1: phi = 0.81458837089 TCL: Center of mass = 46.3012416345 -1.26903810344 -3.67826707288 TCL: atom 1: phi = 0.814460074002 TCL: Center of mass = 46.3047028727 -1.2692411517 -3.67834358844 TCL: atom 1: phi = 0.814564104823 TCL: Center of mass = 46.308157139 -1.26944562489 -3.67841207353 TCL: atom 1: phi = 0.81452196611 TCL: Center of mass = 46.3116120898 -1.26965319505 -3.67849119826 TCL: atom 1: phi = 0.814716804254 TCL: Center of mass = 46.3150562917 -1.26986372801 -3.67856649636 TCL: atom 1: phi = 0.814686091949 TCL: Center of mass = 46.3184858959 -1.27008233928 -3.67863759473 TCL: atom 1: phi = 0.814771467675 TCL: Center of mass = 46.3219171343 -1.27030949774 -3.67869929893 TCL: atom 1: phi = 0.81456869293 TCL: Center of mass = 46.3253486012 -1.27053591875 -3.67875663502 TCL: atom 1: phi = 0.814455093585 TCL: Center of mass = 46.3287830647 -1.27075881829 -3.67882873109 TCL: atom 1: phi = 0.814082352755 TCL: Center of mass = 46.3322095987 -1.27098014258 -3.6789055344 TCL: atom 1: phi = 0.813872101139 TCL: Center of mass = 46.3356361082 -1.27118494112 -3.67897318633 TCL: atom 1: phi = 0.813478083684 TCL: Center of mass = 46.3390709766 -1.27139543248 -3.67904071849 TCL: atom 1: phi = 0.813348167974 TCL: Center of mass = 46.3425121194 -1.27161579264 -3.67911442467 TCL: atom 1: phi = 0.813164662879 TCL: Center of mass = 46.3459494097 -1.27184036923 -3.67919479072 TCL: atom 1: phi = 0.81326795083 TCL: Center of mass = 46.3493864683 -1.27206422992 -3.67929023193 TCL: atom 1: phi = 0.813248400286 TCL: Center of mass = 46.3528207045 -1.27228547625 -3.67938861529 TCL: atom 1: phi = 0.813449716272 TCL: Center of mass = 46.3562727712 -1.2725144635 -3.67949359666 TCL: atom 1: phi = 0.813478453936 TCL: Center of mass = 46.3597142706 -1.27274904006 -3.6796074234 TCL: atom 1: phi = 0.813563520453 TCL: Center of mass = 46.3631715289 -1.27298544299 -3.67972356095 TCL: atom 1: phi = 0.81335277468 TCL: Center of mass = 46.3666323972 -1.27320672879 -3.67983767652 TCL: atom 1: phi = 0.813230105461 TCL: Center of mass = 46.3700931025 -1.27342584096 -3.67996317934 TCL: atom 1: phi = 0.812847280624 TCL: Center of mass = 46.3735469515 -1.27365353347 -3.68008344212 TCL: atom 1: phi = 0.812654784763 TCL: Center of mass = 46.3769994291 -1.27388389662 -3.68020335932 TCL: atom 1: phi = 0.812309461938 TCL: Center of mass = 46.3804397858 -1.27411913559 -3.68033555791 TCL: atom 1: phi = 0.812158845679 TCL: Center of mass = 46.3838750494 -1.27436228741 -3.68046518701 TCL: atom 1: phi = 0.811887155197 TCL: Center of mass = 46.3873042881 -1.27460415591 -3.68058433266 TCL: atom 1: phi = 0.811766093019 TCL: Center of mass = 46.3907455431 -1.27484847873 -3.68070832118 TCL: atom 1: phi = 0.811422398714 TCL: Center of mass = 46.3942035086 -1.27508640538 -3.68082318409 TCL: atom 1: phi = 0.811192594905 TCL: Center of mass = 46.3976623534 -1.27532910582 -3.68093639867 TCL: atom 1: phi = 0.81077304618 TCL: Center of mass = 46.401126451 -1.27557937492 -3.68105071711 TCL: atom 1: phi = 0.810500112648 TCL: Center of mass = 46.4045950362 -1.27584552713 -3.68115510151 TCL: atom 1: phi = 0.810121979405 TCL: Center of mass = 46.4080768792 -1.27610936664 -3.68124865382 TCL: atom 1: phi = 0.810019369313 TCL: Center of mass = 46.4115545697 -1.27637817185 -3.68133293231 TCL: atom 1: phi = 0.809959145222 TCL: Center of mass = 46.4150285785 -1.27663659689 -3.68141864219 TCL: atom 1: phi = 0.810218767244 TCL: Center of mass = 46.4184921744 -1.27689911644 -3.68150668016 TCL: atom 1: phi = 0.810417428691 TCL: Center of mass = 46.4219501844 -1.27717218587 -3.68160115532 TCL: atom 1: phi = 0.810880499179 TCL: Center of mass = 46.4254189342 -1.27745242949 -3.68168761861 TCL: atom 1: phi = 0.811240276052 TCL: Center of mass = 46.4288964562 -1.2777260985 -3.68178989475 TCL: atom 1: phi = 0.811706286922 TCL: Center of mass = 46.432384813 -1.27799811243 -3.68189590687 TCL: atom 1: phi = 0.811952902395 TCL: Center of mass = 46.4358628688 -1.27827801124 -3.68200464368 TCL: atom 1: phi = 0.812276394615 TCL: Center of mass = 46.4393438196 -1.27856265033 -3.68211519056 TCL: atom 1: phi = 0.812310667011 TCL: Center of mass = 46.4428262477 -1.27885062689 -3.68221526543 TCL: atom 1: phi = 0.812491597139 TCL: Center of mass = 46.4463120482 -1.27913044956 -3.68231086798 TCL: atom 1: phi = 0.812496811751 TCL: Center of mass = 46.4497901904 -1.27939799047 -3.68240404402 TCL: atom 1: phi = 0.812671265726 TCL: Center of mass = 46.45327045 -1.27966782116 -3.68249465407 TCL: atom 1: phi = 0.812695512769 TCL: Center of mass = 46.456749532 -1.27993105746 -3.68258575146 TCL: atom 1: phi = 0.81286945293 TIMING: 15800 CPU: 2711.56, 0.172244/step Wall: 3314.93, 0.21089/step, 0.246039 hours remaining, 22051 kB of memory in use. ENERGY: 15800 416.9127 709.6250 420.8418 43.3548 -2791.4612 -227.9224 0.0000 0.0000 1144.8090 -283.8404 311.9925 -274.9584 -276.0444 321.9235 861.6901 950.1654 64000.0000 1107.9284 1099.3325 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15800 WRITING COORDINATES TO DCD FILE AT STEP 15800 WRITING COORDINATES TO RESTART FILE AT STEP 15800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 46.4602204371 -1.28018966708 -3.68268092863 TCL: atom 1: phi = 0.812742141772 TCL: Center of mass = 46.4637069487 -1.28044809602 -3.68278268735 TCL: atom 1: phi = 0.812669107325 TCL: Center of mass = 46.4671861687 -1.28071056583 -3.68288738609 TCL: atom 1: phi = 0.812308705047 TCL: Center of mass = 46.470654369 -1.28097896661 -3.68298362641 TCL: atom 1: phi = 0.812013686003 TCL: Center of mass = 46.4741230088 -1.28125978047 -3.68307554728 TCL: atom 1: phi = 0.811437080125 TCL: Center of mass = 46.4775696821 -1.28153142734 -3.68316922589 TCL: atom 1: phi = 0.811040745524 TCL: Center of mass = 46.4810230957 -1.28180352325 -3.68326451489 TCL: atom 1: phi = 0.810655747708 TCL: Center of mass = 46.4844834825 -1.28206622386 -3.68336266188 TCL: atom 1: phi = 0.810589105685 TCL: Center of mass = 46.4879297474 -1.28232492857 -3.68347177862 TCL: atom 1: phi = 0.810509276637 TCL: Center of mass = 46.4913655547 -1.28258862733 -3.68358596634 TCL: atom 1: phi = 0.810776053891 TCL: Center of mass = 46.4948107784 -1.28284706483 -3.6837016491 TCL: atom 1: phi = 0.811061197996 TCL: Center of mass = 46.4982505425 -1.28310918913 -3.6838212935 TCL: atom 1: phi = 0.811640276773 TCL: Center of mass = 46.5016868311 -1.28337416209 -3.68393243347 TCL: atom 1: phi = 0.812084705471 TCL: Center of mass = 46.5051167707 -1.28363627194 -3.68403549217 TCL: atom 1: phi = 0.812747411944 TCL: Center of mass = 46.5085427197 -1.28391115633 -3.6841472948 TCL: atom 1: phi = 0.81331715436 TCL: Center of mass = 46.5119568649 -1.28420130559 -3.68424858657 TCL: atom 1: phi = 0.814158165119 TCL: Center of mass = 46.5153673338 -1.28448541488 -3.68435671303 TCL: atom 1: phi = 0.814928895171 TCL: Center of mass = 46.5187854996 -1.28477853055 -3.68446874451 TCL: atom 1: phi = 0.815882998109 TCL: Center of mass = 46.5221991012 -1.28508294439 -3.68457453557 TCL: atom 1: phi = 0.816645273755 TCL: Center of mass = 46.5256130098 -1.28538977979 -3.68467298725 TCL: atom 1: phi = 0.817604165853 TCL: Center of mass = 46.529028314 -1.28569763854 -3.68476937473 TCL: atom 1: phi = 0.818291575402 TCL: Center of mass = 46.5324418202 -1.2860116833 -3.68486187699 TCL: atom 1: phi = 0.819040054968 TCL: Center of mass = 46.5358496268 -1.28631847548 -3.68496137723 TCL: atom 1: phi = 0.819444436387 TCL: Center of mass = 46.5392611876 -1.28662011646 -3.68504922722 TCL: atom 1: phi = 0.819933774156 TCL: Center of mass = 46.5426886998 -1.28692742595 -3.68514014311 TCL: atom 1: phi = 0.820067841008 TCL: Center of mass = 46.5461161867 -1.28723170175 -3.68523098126 TCL: atom 1: phi = 0.820330930279 TCL: Center of mass = 46.5495418681 -1.28753037105 -3.68530993494 TCL: atom 1: phi = 0.820383693881 TCL: Center of mass = 46.5529678286 -1.28782739056 -3.68539211317 TCL: atom 1: phi = 0.820723592764 TCL: Center of mass = 46.5564050981 -1.28813187947 -3.68548725228 TCL: atom 1: phi = 0.820964351997 TCL: Center of mass = 46.5598328674 -1.28844968451 -3.6855921654 TCL: atom 1: phi = 0.82147111643 TCL: Center of mass = 46.5632562452 -1.28875926513 -3.6857123817 TCL: atom 1: phi = 0.821833880317 TCL: Center of mass = 46.5666744102 -1.28908717888 -3.68583656016 TCL: atom 1: phi = 0.822446511294 TCL: Center of mass = 46.5701015476 -1.28941477045 -3.68596632961 TCL: atom 1: phi = 0.822854401494 TCL: Center of mass = 46.5735290158 -1.2897428672 -3.68610262369 TCL: atom 1: phi = 0.823356710228 TCL: Center of mass = 46.5769560556 -1.29006638492 -3.68624923299 TCL: atom 1: phi = 0.823517087053 TCL: Center of mass = 46.5803843645 -1.29037989513 -3.68640529199 TCL: atom 1: phi = 0.823843651738 TCL: Center of mass = 46.5838133556 -1.29068064555 -3.6865713927 TCL: atom 1: phi = 0.823906767043 TCL: Center of mass = 46.587237974 -1.29098445366 -3.68674891268 TCL: atom 1: phi = 0.824232645368 TCL: Center of mass = 46.5906510482 -1.29129615142 -3.68692914663 TCL: atom 1: phi = 0.82439718161 TCL: Center of mass = 46.5940512963 -1.29159841547 -3.68711929275 TCL: atom 1: phi = 0.824739312899 TCL: Center of mass = 46.5974603616 -1.29190392672 -3.6873038272 TCL: atom 1: phi = 0.824833661769 TCL: Center of mass = 46.6008660605 -1.29220802923 -3.68750843794 TCL: atom 1: phi = 0.825040028111 TCL: Center of mass = 46.6042746665 -1.29250365974 -3.68770522779 TCL: atom 1: phi = 0.824899957813 TCL: Center of mass = 46.6076948555 -1.2927965289 -3.68789724898 TCL: atom 1: phi = 0.824842565483 TCL: Center of mass = 46.6111172345 -1.29309621168 -3.68809075982 TCL: atom 1: phi = 0.824426968657 TCL: Center of mass = 46.6145362736 -1.29339900226 -3.68828369434 TCL: atom 1: phi = 0.82413684563 TCL: Center of mass = 46.6179390087 -1.29370437458 -3.68847490007 TCL: atom 1: phi = 0.82358234493 TCL: Center of mass = 46.6213363332 -1.29401424663 -3.68866157147 TCL: atom 1: phi = 0.823313549877 TCL: Center of mass = 46.6247379496 -1.29432481345 -3.68884832938 TCL: atom 1: phi = 0.822907336648 TCL: Center of mass = 46.6281417625 -1.29462522067 -3.68902052539 TCL: atom 1: phi = 0.822818558435 TCL: Center of mass = 46.6315483442 -1.2949349434 -3.68919210037 TCL: atom 1: phi = 0.822577387032 TCL: Center of mass = 46.6349513648 -1.29523300436 -3.68935372845 TCL: atom 1: phi = 0.822642313032 TCL: Center of mass = 46.6383542112 -1.29553443834 -3.68951498377 TCL: atom 1: phi = 0.822520120941 TCL: Center of mass = 46.6417627069 -1.29582732762 -3.68967777254 TCL: atom 1: phi = 0.822652246652 TCL: Center of mass = 46.6451729819 -1.29613258358 -3.68983529571 TCL: atom 1: phi = 0.822593628464 TCL: Center of mass = 46.648592983 -1.29643230086 -3.68999198501 TCL: atom 1: phi = 0.822847667285 TCL: Center of mass = 46.6520222787 -1.29672789769 -3.69014513059 TCL: atom 1: phi = 0.82292766952 TCL: Center of mass = 46.6554516549 -1.29701544777 -3.69029834491 TCL: atom 1: phi = 0.823368452555 TCL: Center of mass = 46.6588690035 -1.29729817906 -3.69045401604 TCL: atom 1: phi = 0.823693292262 TCL: Center of mass = 46.6622772135 -1.29756909045 -3.69059951669 TCL: atom 1: phi = 0.824383253898 TCL: Center of mass = 46.6656782342 -1.29784117592 -3.6907418442 TCL: atom 1: phi = 0.82492128938 TCL: Center of mass = 46.6690733986 -1.29811335408 -3.69086822485 TCL: atom 1: phi = 0.825805806168 TCL: Center of mass = 46.6724713919 -1.29839200707 -3.69100465605 TCL: atom 1: phi = 0.826410020656 TCL: Center of mass = 46.6758695289 -1.29866792779 -3.6911432953 TCL: atom 1: phi = 0.827208162834 TCL: Center of mass = 46.6792571236 -1.29893545814 -3.69128254694 TCL: atom 1: phi = 0.827563153127 TCL: Center of mass = 46.682644448 -1.29919716029 -3.69142488173 TCL: atom 1: phi = 0.828113882732 TCL: Center of mass = 46.6860304101 -1.29945633517 -3.69155173038 TCL: atom 1: phi = 0.828327878752 TCL: Center of mass = 46.689414992 -1.29969870544 -3.69167930706 TCL: atom 1: phi = 0.828833383142 TCL: Center of mass = 46.6927915863 -1.29995507561 -3.69181191368 TCL: atom 1: phi = 0.829120145272 TCL: Center of mass = 46.6961678334 -1.30020321962 -3.69195603949 TCL: atom 1: phi = 0.829817609664 TCL: Center of mass = 46.6995369767 -1.30044505605 -3.69210456202 TCL: atom 1: phi = 0.830245210948 TCL: Center of mass = 46.7029102984 -1.30068172777 -3.69225568664 TCL: atom 1: phi = 0.830994604445 TCL: Center of mass = 46.7062889317 -1.30091877315 -3.69240009302 TCL: atom 1: phi = 0.831367428598 TCL: Center of mass = 46.7096516529 -1.30116608042 -3.69254796211 TCL: atom 1: phi = 0.831865984852 TCL: Center of mass = 46.7130034829 -1.30139745644 -3.69268542668 TCL: atom 1: phi = 0.831893001652 TCL: Center of mass = 46.7163640795 -1.30161245141 -3.6928136111 TCL: atom 1: phi = 0.832041627787 TCL: Center of mass = 46.7197249681 -1.30182782073 -3.69294707808 TCL: atom 1: phi = 0.831668489772 TCL: Center of mass = 46.7230977956 -1.30204316352 -3.69308267358 TCL: atom 1: phi = 0.831524752368 TCL: Center of mass = 46.7264691993 -1.30226908742 -3.69322041312 TCL: atom 1: phi = 0.83102505506 TCL: Center of mass = 46.7298459744 -1.30250287004 -3.69336676078 TCL: atom 1: phi = 0.830904843949 TCL: Center of mass = 46.733225503 -1.30273253136 -3.69351227941 TCL: atom 1: phi = 0.830522454192 TCL: Center of mass = 46.7366066111 -1.30296283812 -3.69366634455 TCL: atom 1: phi = 0.830433793913 TCL: Center of mass = 46.7399934665 -1.30319124438 -3.69381811276 TCL: atom 1: phi = 0.829962609018 TCL: Center of mass = 46.7433786178 -1.30342554554 -3.69397790885 TCL: atom 1: phi = 0.829712578868 TCL: Center of mass = 46.7467730632 -1.30365667834 -3.69413086701 TCL: atom 1: phi = 0.829088730066 TCL: Center of mass = 46.7501676461 -1.30389146265 -3.69428067451 TCL: atom 1: phi = 0.828558795962 TCL: Center of mass = 46.7535636279 -1.30412473897 -3.6944315141 TCL: atom 1: phi = 0.82771491982 TCL: Center of mass = 46.7569556706 -1.30436440625 -3.69459146797 TCL: atom 1: phi = 0.827078370772 TCL: Center of mass = 46.760371356 -1.30461892793 -3.69473941593 TCL: atom 1: phi = 0.826263912029 TCL: Center of mass = 46.7637930708 -1.30487127524 -3.69490269045 TCL: atom 1: phi = 0.825780419028 TCL: Center of mass = 46.767218614 -1.30512916907 -3.6950664184 TCL: atom 1: phi = 0.825160644813 TCL: Center of mass = 46.7706514185 -1.30538906411 -3.69523083072 TCL: atom 1: phi = 0.824904717793 TCL: Center of mass = 46.7740809546 -1.30565772512 -3.69539239095 TCL: atom 1: phi = 0.82449864852 TCL: Center of mass = 46.7775237632 -1.30591253738 -3.69554778644 TCL: atom 1: phi = 0.824278123368 TCL: Center of mass = 46.7809751567 -1.30616981057 -3.69570622489 TCL: atom 1: phi = 0.823816903862 TCL: Center of mass = 46.7844223723 -1.30642612793 -3.69586392601 TCL: atom 1: phi = 0.823518530054 TCL: Center of mass = 46.7878725985 -1.30667989202 -3.69601916662 TCL: atom 1: phi = 0.822976572548 TCL: Center of mass = 46.791335979 -1.30694148944 -3.6961674724 TCL: atom 1: phi = 0.822639471565 TCL: Center of mass = 46.7948011797 -1.30720169503 -3.69631498692 TCL: atom 1: phi = 0.822144586606 TCL: Center of mass = 46.7982591757 -1.30745898813 -3.6964684824 TCL: atom 1: phi = 0.822023127651 TIMING: 15900 CPU: 2728.82, 0.172574/step Wall: 3336.05, 0.211287/step, 0.240633 hours remaining, 22051 kB of memory in use. ENERGY: 15900 400.2412 667.3105 420.6528 49.5766 -2809.0096 -200.1180 0.0000 0.0000 1194.9856 -276.3611 325.6670 -267.6645 -268.3101 317.7028 1168.0998 1389.6064 64000.0000 1097.5047 1091.6312 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 15900 WRITING COORDINATES TO DCD FILE AT STEP 15900 WRITING COORDINATES TO RESTART FILE AT STEP 15900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 15900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 46.8017224698 -1.30770264178 -3.69662334028 TCL: atom 1: phi = 0.821863275569 TCL: Center of mass = 46.8051807184 -1.30793460433 -3.6967671078 TCL: atom 1: phi = 0.822085855791 TCL: Center of mass = 46.8086368785 -1.30816740363 -3.69691880631 TCL: atom 1: phi = 0.822317593728 TCL: Center of mass = 46.8120972247 -1.30838380721 -3.6970756934 TCL: atom 1: phi = 0.822825978191 TCL: Center of mass = 46.8155503626 -1.30861750167 -3.69722618771 TCL: atom 1: phi = 0.823132665181 TCL: Center of mass = 46.8189928448 -1.30884208734 -3.69737086495 TCL: atom 1: phi = 0.82363613021 TCL: Center of mass = 46.8224286059 -1.30906180253 -3.69752968303 TCL: atom 1: phi = 0.823895654863 TCL: Center of mass = 46.8258650904 -1.30928900975 -3.69767371702 TCL: atom 1: phi = 0.8243122669 TCL: Center of mass = 46.8293010323 -1.30951262882 -3.69781979459 TCL: atom 1: phi = 0.82455144377 TCL: Center of mass = 46.8327398456 -1.30973005111 -3.69797111242 TCL: atom 1: phi = 0.82502263828 TCL: Center of mass = 46.8361749958 -1.30993510497 -3.69812807614 TCL: atom 1: phi = 0.825313440437 TCL: Center of mass = 46.8396131828 -1.31014689376 -3.6982891989 TCL: atom 1: phi = 0.825883683036 TCL: Center of mass = 46.8430456641 -1.31036231732 -3.69843702166 TCL: atom 1: phi = 0.826273135291 TCL: Center of mass = 46.8464755716 -1.31058377074 -3.69858987527 TCL: atom 1: phi = 0.826848411337 TCL: Center of mass = 46.8499141724 -1.31080603869 -3.69874267828 TCL: atom 1: phi = 0.827124776622 TCL: Center of mass = 46.8533603997 -1.31103154354 -3.69888443467 TCL: atom 1: phi = 0.827464775381 TCL: Center of mass = 46.8568138236 -1.31126032612 -3.69904155902 TCL: atom 1: phi = 0.82744065323 TCL: Center of mass = 46.8602691164 -1.31148321108 -3.69920610721 TCL: atom 1: phi = 0.82750256837 TCL: Center of mass = 46.8637290034 -1.31171076491 -3.69936290774 TCL: atom 1: phi = 0.827273076 TCL: Center of mass = 46.8671931002 -1.31192106878 -3.6995269028 TCL: atom 1: phi = 0.827183920801 TCL: Center of mass = 46.8706519506 -1.31212029806 -3.69968843823 TCL: atom 1: phi = 0.826941882021 TCL: Center of mass = 46.8741035837 -1.31232684991 -3.69985446347 TCL: atom 1: phi = 0.826880192676 TCL: Center of mass = 46.8775435373 -1.31253336409 -3.70002280602 TCL: atom 1: phi = 0.826739139357 TCL: Center of mass = 46.8809772196 -1.31273132501 -3.70019423621 TCL: atom 1: phi = 0.826814789683 TCL: Center of mass = 46.8844095194 -1.31292809941 -3.7003634897 TCL: atom 1: phi = 0.826729372672 TCL: Center of mass = 46.8878403248 -1.31313292119 -3.70053751941 TCL: atom 1: phi = 0.82676161415 TCL: Center of mass = 46.8912646897 -1.31333613921 -3.70070876389 TCL: atom 1: phi = 0.826579110949 TCL: Center of mass = 46.8946915687 -1.31354671698 -3.70088588457 TCL: atom 1: phi = 0.826547005842 TCL: Center of mass = 46.8981109021 -1.31374983522 -3.70106343338 TCL: atom 1: phi = 0.826427386982 TCL: Center of mass = 46.9015229307 -1.31395446563 -3.70125259779 TCL: atom 1: phi = 0.826545413408 TCL: Center of mass = 46.9049336559 -1.31415331489 -3.70143433684 TCL: atom 1: phi = 0.826653943511 TCL: Center of mass = 46.9083431541 -1.31435618575 -3.70160963723 TCL: atom 1: phi = 0.827077289988 TCL: Center of mass = 46.9117571782 -1.31454794916 -3.70179204841 TCL: atom 1: phi = 0.827496962955 TCL: Center of mass = 46.9151678395 -1.31472955286 -3.70197384542 TCL: atom 1: phi = 0.828129601816 TCL: Center of mass = 46.9185844348 -1.3149099121 -3.70214426424 TCL: atom 1: phi = 0.828696095569 TCL: Center of mass = 46.922009267 -1.31508591534 -3.70231103607 TCL: atom 1: phi = 0.829422124733 TCL: Center of mass = 46.9254104129 -1.31526458008 -3.70248478631 TCL: atom 1: phi = 0.829891769593 TCL: Center of mass = 46.9288139765 -1.31543815723 -3.70266911924 TCL: atom 1: phi = 0.830472768599 TCL: Center of mass = 46.9322193545 -1.31559845754 -3.70285565987 TCL: atom 1: phi = 0.830856450488 TCL: Center of mass = 46.9356394916 -1.31576672958 -3.70304319557 TCL: atom 1: phi = 0.831416282413 TCL: Center of mass = 46.9390562527 -1.31594108476 -3.70321393671 TCL: atom 1: phi = 0.831888088802 TCL: Center of mass = 46.9424779024 -1.31610975223 -3.70337205781 TCL: atom 1: phi = 0.832680083029 TCL: Center of mass = 46.9459014219 -1.31628199966 -3.70353803469 TCL: atom 1: phi = 0.833408557707 TCL: Center of mass = 46.9493237765 -1.31644805187 -3.7037078127 TCL: atom 1: phi = 0.834373231937 TCL: Center of mass = 46.9527580245 -1.31662180702 -3.70387866248 TCL: atom 1: phi = 0.835164772028 TCL: Center of mass = 46.9561907619 -1.31679021172 -3.70405731513 TCL: atom 1: phi = 0.836106875361 TCL: Center of mass = 46.9596160828 -1.31695465838 -3.70423262871 TCL: atom 1: phi = 0.836794122935 TCL: Center of mass = 46.9630261755 -1.31712870928 -3.70440112272 TCL: atom 1: phi = 0.837578075021 TCL: Center of mass = 46.9664363857 -1.31731119127 -3.70455943929 TCL: atom 1: phi = 0.838080408183 TCL: Center of mass = 46.9698383342 -1.31748210928 -3.70471354666 TCL: atom 1: phi = 0.838748156933 TCL: Center of mass = 46.9732373257 -1.31764600249 -3.70486272621 TCL: atom 1: phi = 0.839255731107 TCL: Center of mass = 46.9766440756 -1.31780468504 -3.70499901817 TCL: atom 1: phi = 0.83995801458 TCL: Center of mass = 46.9800566448 -1.31796435587 -3.70513989847 TCL: atom 1: phi = 0.840441354288 TCL: Center of mass = 46.9834740974 -1.31812690674 -3.70527676582 TCL: atom 1: phi = 0.841051108697 TCL: Center of mass = 46.9868902755 -1.31828116431 -3.70541317668 TCL: atom 1: phi = 0.841361196472 TCL: Center of mass = 46.9903079656 -1.31843954307 -3.70555030748 TCL: atom 1: phi = 0.841732988594 TCL: Center of mass = 46.9937246957 -1.31859752438 -3.70569232352 TCL: atom 1: phi = 0.841737770029 TCL: Center of mass = 46.9971466761 -1.31874864779 -3.70583022299 TCL: atom 1: phi = 0.841696171438 TCL: Center of mass = 47.0005637515 -1.31890148789 -3.70596624066 TCL: atom 1: phi = 0.841240732221 TCL: Center of mass = 47.0039769282 -1.3190500696 -3.70609451199 TCL: atom 1: phi = 0.840785578949 TCL: Center of mass = 47.0073786904 -1.31918621034 -3.70622984103 TCL: atom 1: phi = 0.840013492831 TCL: Center of mass = 47.010791277 -1.31930866708 -3.7063706956 TCL: atom 1: phi = 0.839346637445 TCL: Center of mass = 47.0142026156 -1.31943728985 -3.7065154445 TCL: atom 1: phi = 0.838450374918 TCL: Center of mass = 47.0176247684 -1.31955066731 -3.70667018548 TCL: atom 1: phi = 0.837726888297 TCL: Center of mass = 47.0210502232 -1.31967693061 -3.70683927039 TCL: atom 1: phi = 0.836773976581 TCL: Center of mass = 47.0244902195 -1.31980145323 -3.70701407098 TCL: atom 1: phi = 0.835964095138 TCL: Center of mass = 47.0279395639 -1.31992967299 -3.70719062137 TCL: atom 1: phi = 0.834896517232 TCL: Center of mass = 47.0313913061 -1.32006296727 -3.70736122538 TCL: atom 1: phi = 0.833944604252 TCL: Center of mass = 47.0348487399 -1.32018708899 -3.70753693806 TCL: atom 1: phi = 0.832785762861 TCL: Center of mass = 47.0382976285 -1.32031776718 -3.70769928365 TCL: atom 1: phi = 0.83183956803 TCL: Center of mass = 47.0417394616 -1.32044139473 -3.707858839 TCL: atom 1: phi = 0.830787389216 TCL: Center of mass = 47.0451692829 -1.32056543681 -3.70801535772 TCL: atom 1: phi = 0.829995025826 TCL: Center of mass = 47.0486120113 -1.32069670074 -3.70818275599 TCL: atom 1: phi = 0.829076726893 TCL: Center of mass = 47.0520568526 -1.32082632935 -3.7083464434 TCL: atom 1: phi = 0.828374639246 TCL: Center of mass = 47.0555002955 -1.32096450829 -3.70850609629 TCL: atom 1: phi = 0.827488243423 TCL: Center of mass = 47.05893299 -1.32109889027 -3.70867367309 TCL: atom 1: phi = 0.826738261316 TCL: Center of mass = 47.0623579378 -1.32122763701 -3.70884330227 TCL: atom 1: phi = 0.82577539707 TCL: Center of mass = 47.0657858274 -1.32136782916 -3.70901757341 TCL: atom 1: phi = 0.824921200304 TCL: Center of mass = 47.0692179801 -1.32149913143 -3.70919535994 TCL: atom 1: phi = 0.823877283414 TCL: Center of mass = 47.0726440315 -1.32163971922 -3.70936751487 TCL: atom 1: phi = 0.823012760783 TCL: Center of mass = 47.0760835416 -1.32178529138 -3.70952542356 TCL: atom 1: phi = 0.822050565357 TCL: Center of mass = 47.0795162586 -1.32192727768 -3.70969164927 TCL: atom 1: phi = 0.821337584931 TCL: Center of mass = 47.0829502262 -1.32207048443 -3.70985577549 TCL: atom 1: phi = 0.820528989417 TCL: Center of mass = 47.0863801649 -1.32220463575 -3.71001395983 TCL: atom 1: phi = 0.82001140495 TCL: Center of mass = 47.0898179185 -1.32233952453 -3.71016316565 TCL: atom 1: phi = 0.819425636433 TCL: Center of mass = 47.0932524858 -1.32246843176 -3.71031386007 TCL: atom 1: phi = 0.819047125736 TCL: Center of mass = 47.0966918801 -1.32260532113 -3.7104658693 TCL: atom 1: phi = 0.818512452435 TCL: Center of mass = 47.1001263897 -1.32275441132 -3.71061483212 TCL: atom 1: phi = 0.818196518611 TCL: Center of mass = 47.1035572628 -1.3228990931 -3.71075155722 TCL: atom 1: phi = 0.817790065337 TCL: Center of mass = 47.1069884335 -1.32305346278 -3.71088525552 TCL: atom 1: phi = 0.817626943652 TCL: Center of mass = 47.1104129 -1.32320341683 -3.71103614109 TCL: atom 1: phi = 0.817416126277 TCL: Center of mass = 47.1138196149 -1.32334251486 -3.71117651443 TCL: atom 1: phi = 0.817425273466 TCL: Center of mass = 47.1172262751 -1.3234911641 -3.71131896756 TCL: atom 1: phi = 0.81732459626 TCL: Center of mass = 47.120628678 -1.32362970633 -3.71145115465 TCL: atom 1: phi = 0.817508557859 TCL: Center of mass = 47.1240378116 -1.32376585283 -3.71158587997 TCL: atom 1: phi = 0.817553172606 TCL: Center of mass = 47.1274436016 -1.32390654853 -3.71171573288 TCL: atom 1: phi = 0.817799255049 TCL: Center of mass = 47.1308457475 -1.32404964595 -3.71183115882 TCL: atom 1: phi = 0.817830611463 TCL: Center of mass = 47.1342490307 -1.32418366121 -3.7119509046 TCL: atom 1: phi = 0.818016504849 TCL: Center of mass = 47.1376469456 -1.32432311485 -3.71207852283 TCL: atom 1: phi = 0.817916023778 TCL: Center of mass = 47.1410430687 -1.32446682987 -3.71220560791 TCL: atom 1: phi = 0.81787600209 TIMING: 16000 CPU: 2746.07, 0.172504/step Wall: 3357.18, 0.211267/step, 0.234741 hours remaining, 22051 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 16000 372.7298 735.8797 421.3538 45.1395 -2790.3967 -216.9828 0.0000 0.0000 1149.8056 -282.4713 313.3542 -273.7196 -274.0899 319.8974 1111.4862 1246.9175 64000.0000 1279.4563 1277.8180 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16000 WRITING COORDINATES TO DCD FILE AT STEP 16000 WRITING COORDINATES TO RESTART FILE AT STEP 16000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 47.1444299674 -1.32460702048 -3.7123331074 TCL: atom 1: phi = 0.817463973007 TCL: Center of mass = 47.1478205513 -1.32475455083 -3.71245457137 TCL: atom 1: phi = 0.817120332596 TCL: Center of mass = 47.1512247183 -1.32489806564 -3.71257990811 TCL: atom 1: phi = 0.81651765945 TCL: Center of mass = 47.1546317766 -1.32503421298 -3.71269418123 TCL: atom 1: phi = 0.816092235889 TCL: Center of mass = 47.1580495784 -1.32516773895 -3.71281007229 TCL: atom 1: phi = 0.815449543185 TCL: Center of mass = 47.1614597501 -1.32529916591 -3.71291715122 TCL: atom 1: phi = 0.814973794787 TCL: Center of mass = 47.1648639751 -1.32543701342 -3.71301891211 TCL: atom 1: phi = 0.814240219041 TCL: Center of mass = 47.1682647881 -1.32556497711 -3.71311079052 TCL: atom 1: phi = 0.813650023937 TCL: Center of mass = 47.1716696757 -1.32569120985 -3.71321294315 TCL: atom 1: phi = 0.812770959433 TCL: Center of mass = 47.1750721969 -1.32580785755 -3.71331570239 TCL: atom 1: phi = 0.811976463363 TCL: Center of mass = 47.1784780609 -1.32592526472 -3.71342025021 TCL: atom 1: phi = 0.810917658139 TCL: Center of mass = 47.1818865338 -1.32603616961 -3.71353536663 TCL: atom 1: phi = 0.810011232922 TCL: Center of mass = 47.1853057374 -1.32614129557 -3.71364142442 TCL: atom 1: phi = 0.808886151051 TCL: Center of mass = 47.1887309816 -1.32622651945 -3.7137399374 TCL: atom 1: phi = 0.807990861526 TCL: Center of mass = 47.1921601693 -1.32631895249 -3.71384135479 TCL: atom 1: phi = 0.807035599769 TCL: Center of mass = 47.1955829672 -1.32640601238 -3.71393473708 TCL: atom 1: phi = 0.806310963898 TCL: Center of mass = 47.1990111008 -1.32649442378 -3.71402099421 TCL: atom 1: phi = 0.805473947414 TCL: Center of mass = 47.2024395645 -1.32659370499 -3.71410088102 TCL: atom 1: phi = 0.804802781437 TCL: Center of mass = 47.2058554225 -1.32669892827 -3.71417905164 TCL: atom 1: phi = 0.804029838211 TCL: Center of mass = 47.20928303 -1.32681010063 -3.7142572534 TCL: atom 1: phi = 0.803469104945 TCL: Center of mass = 47.2127137072 -1.32692346845 -3.71433721869 TCL: atom 1: phi = 0.802787378882 TCL: Center of mass = 47.2161567321 -1.32702572433 -3.71442147596 TCL: atom 1: phi = 0.802346296376 TCL: Center of mass = 47.2195937759 -1.32712920542 -3.71451197138 TCL: atom 1: phi = 0.801920687706 TCL: Center of mass = 47.2230279496 -1.3272264157 -3.71460744732 TCL: atom 1: phi = 0.801776076528 TCL: Center of mass = 47.2264674348 -1.32731761875 -3.71470279402 TCL: atom 1: phi = 0.801659718942 TCL: Center of mass = 47.2299031482 -1.32740265279 -3.71479684652 TCL: atom 1: phi = 0.801872751969 TCL: Center of mass = 47.2333323309 -1.32748996189 -3.71490683952 TCL: atom 1: phi = 0.802066766689 TCL: Center of mass = 47.2367613386 -1.32758882409 -3.71502367659 TCL: atom 1: phi = 0.802547582423 TCL: Center of mass = 47.240193645 -1.32769611318 -3.7151374024 TCL: atom 1: phi = 0.802934085994 TCL: Center of mass = 47.2436142922 -1.32779407316 -3.71524780307 TCL: atom 1: phi = 0.803481109183 TCL: Center of mass = 47.2470357802 -1.3278884314 -3.71536140011 TCL: atom 1: phi = 0.803780237697 TCL: Center of mass = 47.2504548365 -1.32797999186 -3.7154738859 TCL: atom 1: phi = 0.804210681992 TCL: Center of mass = 47.2538765111 -1.32806998163 -3.71559008053 TCL: atom 1: phi = 0.804457343374 TCL: Center of mass = 47.257297293 -1.3281642883 -3.7157035596 TCL: atom 1: phi = 0.804911211133 TCL: Center of mass = 47.2607155302 -1.32826911452 -3.71581083975 TCL: atom 1: phi = 0.805247944168 TCL: Center of mass = 47.2641298831 -1.32837315876 -3.71590984166 TCL: atom 1: phi = 0.805829295603 TCL: Center of mass = 47.2675396401 -1.32846852146 -3.7160209878 TCL: atom 1: phi = 0.806222595601 TCL: Center of mass = 47.2709455394 -1.32857592845 -3.71614530908 TCL: atom 1: phi = 0.806812705623 TCL: Center of mass = 47.2743597651 -1.32867728523 -3.71625864593 TCL: atom 1: phi = 0.80714935068 TCL: Center of mass = 47.2777756413 -1.32877818659 -3.71637255319 TCL: atom 1: phi = 0.807570211224 TCL: Center of mass = 47.2812029298 -1.32888111932 -3.71647279522 TCL: atom 1: phi = 0.807689576903 TCL: Center of mass = 47.2846276853 -1.32898064981 -3.71656066685 TCL: atom 1: phi = 0.807939173779 TCL: Center of mass = 47.2880603768 -1.32907412114 -3.71666277107 TCL: atom 1: phi = 0.807965937692 TCL: Center of mass = 47.2914985344 -1.3291627376 -3.71676928032 TCL: atom 1: phi = 0.808196868657 TCL: Center of mass = 47.2949287715 -1.32924473775 -3.71688371789 TCL: atom 1: phi = 0.808250397936 TCL: Center of mass = 47.2983614775 -1.32932396063 -3.71700388182 TCL: atom 1: phi = 0.808547819731 TCL: Center of mass = 47.3018058401 -1.32940571995 -3.71714776485 TCL: atom 1: phi = 0.808788278694 TCL: Center of mass = 47.3052470688 -1.32948900017 -3.71728955542 TCL: atom 1: phi = 0.809254069937 TCL: Center of mass = 47.3086940662 -1.32956764865 -3.71742204734 TCL: atom 1: phi = 0.809515872504 TCL: Center of mass = 47.3121489836 -1.32964501378 -3.71755365328 TCL: atom 1: phi = 0.810002333386 TCL: Center of mass = 47.3155982532 -1.32972650791 -3.71767737566 TCL: atom 1: phi = 0.810335034283 TCL: Center of mass = 47.3190440114 -1.32980196642 -3.71779601501 TCL: atom 1: phi = 0.810911858258 TCL: Center of mass = 47.3224788077 -1.32987475827 -3.71790769881 TCL: atom 1: phi = 0.81128271446 TCL: Center of mass = 47.3259211316 -1.32994826378 -3.71802077825 TCL: atom 1: phi = 0.811888219595 TCL: Center of mass = 47.3293625756 -1.33002085156 -3.71813262546 TCL: atom 1: phi = 0.812315257879 TCL: Center of mass = 47.3328157349 -1.33010196006 -3.71825161485 TCL: atom 1: phi = 0.812992406926 TCL: Center of mass = 47.3362698963 -1.33018173175 -3.71837056134 TCL: atom 1: phi = 0.813419481691 TCL: Center of mass = 47.3397326089 -1.33025427176 -3.71849146104 TCL: atom 1: phi = 0.814114680977 TCL: Center of mass = 47.3431902705 -1.3303117015 -3.71861785683 TCL: atom 1: phi = 0.814625645452 TCL: Center of mass = 47.3466378201 -1.33036534694 -3.71874456798 TCL: atom 1: phi = 0.815405916413 TCL: Center of mass = 47.3500775546 -1.33041964006 -3.71887817274 TCL: atom 1: phi = 0.815864412091 TCL: Center of mass = 47.353520261 -1.33047263464 -3.71901672071 TCL: atom 1: phi = 0.816628004743 TCL: Center of mass = 47.3569630999 -1.3305221616 -3.7191624847 TCL: atom 1: phi = 0.817092588335 TCL: Center of mass = 47.3604276167 -1.33058330938 -3.71929900527 TCL: atom 1: phi = 0.817861801345 TCL: Center of mass = 47.3638948999 -1.33063799111 -3.71942987667 TCL: atom 1: phi = 0.818359797911 TCL: Center of mass = 47.3673529765 -1.33070037287 -3.71955974487 TCL: atom 1: phi = 0.819182903769 TCL: Center of mass = 47.3708191841 -1.33076909654 -3.71969484301 TCL: atom 1: phi = 0.819690225677 TCL: Center of mass = 47.3742885755 -1.33084935173 -3.7198268735 TCL: atom 1: phi = 0.820532752456 TCL: Center of mass = 47.3777442312 -1.33092305176 -3.71994819003 TCL: atom 1: phi = 0.82093211851 TCL: Center of mass = 47.3812009182 -1.33100362157 -3.7200742715 TCL: atom 1: phi = 0.821581588114 TCL: Center of mass = 47.384649963 -1.33107991664 -3.72018793843 TCL: atom 1: phi = 0.821754906074 TCL: Center of mass = 47.388092639 -1.33115662227 -3.72029594679 TCL: atom 1: phi = 0.822186273132 TCL: Center of mass = 47.3915339004 -1.33121997072 -3.72040815787 TCL: atom 1: phi = 0.822148845299 TCL: Center of mass = 47.3949760155 -1.3312848193 -3.72051460199 TCL: atom 1: phi = 0.82235351714 TCL: Center of mass = 47.3984139479 -1.33134312224 -3.72062029288 TCL: atom 1: phi = 0.822105458865 TCL: Center of mass = 47.4018604898 -1.33141090955 -3.72071139918 TCL: atom 1: phi = 0.822097270721 TCL: Center of mass = 47.4052997586 -1.33148459831 -3.72081780479 TCL: atom 1: phi = 0.821616134578 TCL: Center of mass = 47.4087508491 -1.33155505657 -3.72093619611 TCL: atom 1: phi = 0.821398723274 TCL: Center of mass = 47.4122157704 -1.33163048803 -3.72103400252 TCL: atom 1: phi = 0.820876762964 TCL: Center of mass = 47.4156911315 -1.33171533465 -3.72112727816 TCL: atom 1: phi = 0.820666460959 TCL: Center of mass = 47.4191572216 -1.33180169509 -3.72121962381 TCL: atom 1: phi = 0.820165702974 TCL: Center of mass = 47.4226231851 -1.33188184674 -3.72130987057 TCL: atom 1: phi = 0.819963468624 TCL: Center of mass = 47.4261013516 -1.33195568407 -3.72140496964 TCL: atom 1: phi = 0.819468560023 TCL: Center of mass = 47.4295901514 -1.33201943572 -3.72150378387 TCL: atom 1: phi = 0.819243685362 TCL: Center of mass = 47.4330729843 -1.3320923045 -3.7215966991 TCL: atom 1: phi = 0.818751876994 TCL: Center of mass = 47.4365511942 -1.33216576283 -3.72167028847 TCL: atom 1: phi = 0.81849065115 TCL: Center of mass = 47.440027168 -1.33222370581 -3.72175286568 TCL: atom 1: phi = 0.818031533308 TCL: Center of mass = 47.4435056118 -1.33229064443 -3.72183622348 TCL: atom 1: phi = 0.817802334199 TCL: Center of mass = 47.4469813561 -1.33236102103 -3.72192085273 TCL: atom 1: phi = 0.817353357151 TCL: Center of mass = 47.4504665683 -1.33242060041 -3.72202262728 TCL: atom 1: phi = 0.817147963379 TCL: Center of mass = 47.4539494936 -1.33248390965 -3.72213235813 TCL: atom 1: phi = 0.816758021455 TCL: Center of mass = 47.4574262529 -1.3325412994 -3.7222479445 TCL: atom 1: phi = 0.816644238649 TCL: Center of mass = 47.4609188586 -1.33260002693 -3.72235950439 TCL: atom 1: phi = 0.816364543176 TCL: Center of mass = 47.4644014273 -1.33264507956 -3.7224706999 TCL: atom 1: phi = 0.816354466451 TCL: Center of mass = 47.467877052 -1.33270249818 -3.72257942167 TCL: atom 1: phi = 0.816199694298 TCL: Center of mass = 47.4713589617 -1.33276126178 -3.72268972777 TCL: atom 1: phi = 0.81628219026 TCL: Center of mass = 47.4748385963 -1.33282669267 -3.72278580077 TCL: atom 1: phi = 0.816188413785 TCL: Center of mass = 47.4783089627 -1.33288982894 -3.72288587814 TCL: atom 1: phi = 0.816308676393 TCL: Center of mass = 47.4817700217 -1.33295547025 -3.72298379473 TCL: atom 1: phi = 0.816255793218 TCL: Center of mass = 47.4852215995 -1.3330175513 -3.72309385164 TCL: atom 1: phi = 0.816406165149 TIMING: 16100 CPU: 2763.32, 0.172464/step Wall: 3378.3, 0.211237/step, 0.22884 hours remaining, 22051 kB of memory in use. ENERGY: 16100 411.0387 670.1450 422.4667 44.1741 -2762.3897 -243.0640 0.0000 0.0000 1181.1186 -276.5106 321.8879 -267.7822 -268.1987 321.7154 630.7802 1032.5399 64000.0000 991.8172 994.0340 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16100 WRITING COORDINATES TO DCD FILE AT STEP 16100 WRITING COORDINATES TO RESTART FILE AT STEP 16100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 47.4886828534 -1.33306765332 -3.72320544409 TCL: atom 1: phi = 0.816356766649 TCL: Center of mass = 47.4921392512 -1.33311072929 -3.72331184554 TCL: atom 1: phi = 0.816547202613 TCL: Center of mass = 47.4955988296 -1.33316373879 -3.7234175579 TCL: atom 1: phi = 0.816588980528 TCL: Center of mass = 47.4990477033 -1.33320472588 -3.72353044488 TCL: atom 1: phi = 0.816880996596 TCL: Center of mass = 47.5024899703 -1.33325186863 -3.72364116263 TCL: atom 1: phi = 0.817058964126 TCL: Center of mass = 47.5059253698 -1.33330144226 -3.72375336674 TCL: atom 1: phi = 0.817540607413 TCL: Center of mass = 47.509353522 -1.33334896579 -3.72386947944 TCL: atom 1: phi = 0.817929831957 TCL: Center of mass = 47.5127816395 -1.33339610207 -3.72399402013 TCL: atom 1: phi = 0.818563106415 TCL: Center of mass = 47.5162056758 -1.33343897666 -3.72411207186 TCL: atom 1: phi = 0.819046132826 TCL: Center of mass = 47.5196319929 -1.33348634325 -3.72423063077 TCL: atom 1: phi = 0.81975349701 TCL: Center of mass = 47.523054875 -1.33352460119 -3.72435873871 TCL: atom 1: phi = 0.820271776286 TCL: Center of mass = 47.5264628694 -1.33357218534 -3.72448883993 TCL: atom 1: phi = 0.820971296281 TCL: Center of mass = 47.5298800028 -1.33361881303 -3.72463026139 TCL: atom 1: phi = 0.82143470286 TCL: Center of mass = 47.5333071199 -1.33367221707 -3.72477130307 TCL: atom 1: phi = 0.822127043796 TCL: Center of mass = 47.5367424772 -1.33373000101 -3.72490722881 TCL: atom 1: phi = 0.822597698738 TCL: Center of mass = 47.540174567 -1.33379206337 -3.72504961485 TCL: atom 1: phi = 0.823291100354 TCL: Center of mass = 47.5435976464 -1.33385533685 -3.725185073 TCL: atom 1: phi = 0.8237512788 TCL: Center of mass = 47.5470139046 -1.33392195163 -3.72532556401 TCL: atom 1: phi = 0.824374031577 TCL: Center of mass = 47.5504248034 -1.33398858246 -3.72545957316 TCL: atom 1: phi = 0.824740612017 TCL: Center of mass = 47.5538288175 -1.33405802901 -3.72560250452 TCL: atom 1: phi = 0.825266989418 TCL: Center of mass = 47.5572330807 -1.33413391367 -3.72574827548 TCL: atom 1: phi = 0.825586431559 TCL: Center of mass = 47.5606235998 -1.3342069876 -3.72588816625 TCL: atom 1: phi = 0.826073309252 TCL: Center of mass = 47.5639996109 -1.33427073771 -3.72603410486 TCL: atom 1: phi = 0.826377648178 TCL: Center of mass = 47.5673722748 -1.33433350353 -3.72618094509 TCL: atom 1: phi = 0.826891702168 TCL: Center of mass = 47.5707400089 -1.3343906994 -3.72634710897 TCL: atom 1: phi = 0.827220667025 TCL: Center of mass = 47.5741138982 -1.33445289641 -3.72650654215 TCL: atom 1: phi = 0.827783795547 TCL: Center of mass = 47.5774918047 -1.33451214644 -3.72667472345 TCL: atom 1: phi = 0.828160375055 TCL: Center of mass = 47.5808756924 -1.33457120614 -3.72683228834 TCL: atom 1: phi = 0.828659159878 TCL: Center of mass = 47.5842595497 -1.33462069587 -3.72698715784 TCL: atom 1: phi = 0.828950105029 TCL: Center of mass = 47.5876577075 -1.33467329586 -3.72713711578 TCL: atom 1: phi = 0.829380535469 TCL: Center of mass = 47.5910714302 -1.3347236224 -3.72728330274 TCL: atom 1: phi = 0.829534843354 TCL: Center of mass = 47.5944908542 -1.33476188479 -3.72743140945 TCL: atom 1: phi = 0.829792129424 TCL: Center of mass = 47.5978967263 -1.33481249607 -3.72758221165 TCL: atom 1: phi = 0.829823399285 TCL: Center of mass = 47.601290318 -1.33486274692 -3.72773011419 TCL: atom 1: phi = 0.82993820917 TCL: Center of mass = 47.6046773993 -1.33491782599 -3.72788131528 TCL: atom 1: phi = 0.829794532121 TCL: Center of mass = 47.6080665824 -1.33497054898 -3.72803089618 TCL: atom 1: phi = 0.829764233994 TCL: Center of mass = 47.6114555621 -1.335026364 -3.72817786004 TCL: atom 1: phi = 0.82944672809 TCL: Center of mass = 47.6148527631 -1.33508971083 -3.72832918129 TCL: atom 1: phi = 0.829270848881 TCL: Center of mass = 47.6182479317 -1.33514626752 -3.72847485964 TCL: atom 1: phi = 0.828879483702 TCL: Center of mass = 47.621651969 -1.33520339356 -3.72861627417 TCL: atom 1: phi = 0.828600538498 TCL: Center of mass = 47.6250548064 -1.33526481171 -3.72876478159 TCL: atom 1: phi = 0.828148772555 TCL: Center of mass = 47.6284586323 -1.33533671619 -3.72890130207 TCL: atom 1: phi = 0.827871809684 TCL: Center of mass = 47.6318668239 -1.33541250424 -3.7290287674 TCL: atom 1: phi = 0.827452420795 TCL: Center of mass = 47.6352880007 -1.33548694175 -3.72916092925 TCL: atom 1: phi = 0.827191776092 TCL: Center of mass = 47.6387134611 -1.33556048422 -3.72928503337 TCL: atom 1: phi = 0.826848615859 TCL: Center of mass = 47.6421296934 -1.33563207481 -3.72941462561 TCL: atom 1: phi = 0.826726076367 TCL: Center of mass = 47.6455597626 -1.33569498464 -3.72955599716 TCL: atom 1: phi = 0.826493922703 TCL: Center of mass = 47.6489904101 -1.33576037139 -3.72970355467 TCL: atom 1: phi = 0.826424446033 TCL: Center of mass = 47.6524268028 -1.33581871928 -3.72983384107 TCL: atom 1: phi = 0.826235694682 TCL: Center of mass = 47.655872453 -1.33587958016 -3.72997010042 TCL: atom 1: phi = 0.826229263031 TCL: Center of mass = 47.6593056934 -1.33593451294 -3.73010245164 TCL: atom 1: phi = 0.826131069412 TCL: Center of mass = 47.6627477383 -1.33598931542 -3.73023314053 TCL: atom 1: phi = 0.826194113252 TCL: Center of mass = 47.66618331 -1.33603370109 -3.7303730622 TCL: atom 1: phi = 0.826165761813 TCL: Center of mass = 47.6696320487 -1.33608619361 -3.73050360636 TCL: atom 1: phi = 0.826354971574 TCL: Center of mass = 47.673068265 -1.33612595921 -3.73062490432 TCL: atom 1: phi = 0.826428714822 TCL: Center of mass = 47.6765110743 -1.33617570936 -3.73073404229 TCL: atom 1: phi = 0.826684357352 TCL: Center of mass = 47.6799517566 -1.33621328259 -3.7308413032 TCL: atom 1: phi = 0.826801560563 TCL: Center of mass = 47.6833950371 -1.33626370295 -3.73095333348 TCL: atom 1: phi = 0.827120941098 TCL: Center of mass = 47.6868314015 -1.33630964912 -3.73106926121 TCL: atom 1: phi = 0.827301408874 TCL: Center of mass = 47.6902666381 -1.33635637322 -3.73117930777 TCL: atom 1: phi = 0.827693114024 TCL: Center of mass = 47.6937013986 -1.33642623787 -3.73128862633 TCL: atom 1: phi = 0.827997651226 TCL: Center of mass = 47.6971271858 -1.33649875171 -3.7313970964 TCL: atom 1: phi = 0.828526278524 TCL: Center of mass = 47.7005503015 -1.33657206398 -3.73150473451 TCL: atom 1: phi = 0.828946471728 TCL: Center of mass = 47.7039728881 -1.33665190546 -3.73159875794 TCL: atom 1: phi = 0.829568240309 TCL: Center of mass = 47.7074004578 -1.33674055655 -3.73169087835 TCL: atom 1: phi = 0.830044636696 TCL: Center of mass = 47.7108261369 -1.33683163291 -3.73176943098 TCL: atom 1: phi = 0.830703689317 TCL: Center of mass = 47.7142536114 -1.33692117753 -3.73184922164 TCL: atom 1: phi = 0.831148620686 TCL: Center of mass = 47.7176788278 -1.33701063752 -3.73191757921 TCL: atom 1: phi = 0.831755443168 TCL: Center of mass = 47.7211040446 -1.33710488493 -3.73199085041 TCL: atom 1: phi = 0.832097394732 TCL: Center of mass = 47.7245335098 -1.3372025695 -3.73206211751 TCL: atom 1: phi = 0.832547220421 TCL: Center of mass = 47.7279602454 -1.33730171433 -3.73214161217 TCL: atom 1: phi = 0.832762520049 TCL: Center of mass = 47.7313842213 -1.33740233516 -3.73222805137 TCL: atom 1: phi = 0.833112160283 TCL: Center of mass = 47.7348208082 -1.33751131373 -3.73232067916 TCL: atom 1: phi = 0.833223698485 TCL: Center of mass = 47.7382599718 -1.33762663288 -3.73241775744 TCL: atom 1: phi = 0.833443298053 TCL: Center of mass = 47.7417046409 -1.33774611041 -3.73251021021 TCL: atom 1: phi = 0.833432748947 TCL: Center of mass = 47.7451461375 -1.33785191853 -3.7326022473 TCL: atom 1: phi = 0.833583157366 TCL: Center of mass = 47.7485908158 -1.3379609857 -3.73269526851 TCL: atom 1: phi = 0.833492241085 TCL: Center of mass = 47.7520308437 -1.33806825636 -3.73280461959 TCL: atom 1: phi = 0.833639704536 TCL: Center of mass = 47.7554620088 -1.33819241741 -3.73291362585 TCL: atom 1: phi = 0.833552513535 TCL: Center of mass = 47.7588765748 -1.3383109947 -3.73303685546 TCL: atom 1: phi = 0.833655389914 TCL: Center of mass = 47.7622812668 -1.33841901302 -3.7331718779 TCL: atom 1: phi = 0.833576712337 TCL: Center of mass = 47.7656940102 -1.33851493896 -3.73330778057 TCL: atom 1: phi = 0.833704307136 TCL: Center of mass = 47.7691144458 -1.33861933512 -3.73343183774 TCL: atom 1: phi = 0.833661648488 TCL: Center of mass = 47.7725422747 -1.33871957702 -3.73355688192 TCL: atom 1: phi = 0.833898004058 TCL: Center of mass = 47.775970011 -1.33882256442 -3.73368392843 TCL: atom 1: phi = 0.834018454484 TCL: Center of mass = 47.7793991506 -1.33892643487 -3.73381976578 TCL: atom 1: phi = 0.834467877708 TCL: Center of mass = 47.7828311741 -1.33902206494 -3.7339646807 TCL: atom 1: phi = 0.834819890574 TCL: Center of mass = 47.7862618149 -1.33912311592 -3.7341085283 TCL: atom 1: phi = 0.835483006822 TCL: Center of mass = 47.7897007293 -1.33921686598 -3.73425484142 TCL: atom 1: phi = 0.835999633744 TCL: Center of mass = 47.7931351844 -1.33931614046 -3.7343926566 TCL: atom 1: phi = 0.836792845779 TCL: Center of mass = 47.7965696598 -1.33941378316 -3.73451926625 TCL: atom 1: phi = 0.837357521323 TCL: Center of mass = 47.7999964139 -1.33953058242 -3.73465065674 TCL: atom 1: phi = 0.83809987703 TCL: Center of mass = 47.803415564 -1.33964505102 -3.73478030359 TCL: atom 1: phi = 0.838569425685 TCL: Center of mass = 47.8068401674 -1.33975970317 -3.73492552662 TCL: atom 1: phi = 0.839231298211 TCL: Center of mass = 47.8102624542 -1.33986913563 -3.73506896399 TCL: atom 1: phi = 0.839566388831 TCL: Center of mass = 47.8136818676 -1.33998536353 -3.73521460994 TCL: atom 1: phi = 0.840103170121 TCL: Center of mass = 47.8170943243 -1.34009198469 -3.73535476649 TCL: atom 1: phi = 0.840320513725 TCL: Center of mass = 47.8204973003 -1.34019998351 -3.73549545132 TCL: atom 1: phi = 0.840736406089 TCL: Center of mass = 47.8238963 -1.34030245583 -3.73561618362 TCL: atom 1: phi = 0.840823356459 TCL: Center of mass = 47.8272927477 -1.34041373335 -3.73574406754 TCL: atom 1: phi = 0.841099436151 TIMING: 16200 CPU: 2780.54, 0.172254/step Wall: 3399.41, 0.211053/step, 0.222778 hours remaining, 22051 kB of memory in use. ENERGY: 16200 440.3210 672.9377 409.6481 40.7821 -2801.3403 -189.7211 0.0000 0.0000 1153.5675 -273.8050 314.3794 -264.4133 -267.1576 323.0839 1609.0426 1526.2609 64000.0000 1106.2600 1103.0568 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16200 WRITING COORDINATES TO DCD FILE AT STEP 16200 WRITING COORDINATES TO RESTART FILE AT STEP 16200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 47.8306788344 -1.34053042051 -3.73587546284 TCL: atom 1: phi = 0.841007525141 TCL: Center of mass = 47.8340617846 -1.34065326955 -3.736012583 TCL: atom 1: phi = 0.841076411514 TCL: Center of mass = 47.8374464999 -1.34077093896 -3.7361491667 TCL: atom 1: phi = 0.840754972077 TCL: Center of mass = 47.8408327184 -1.34088968113 -3.73628937735 TCL: atom 1: phi = 0.840627684702 TCL: Center of mass = 47.8442126918 -1.34101733886 -3.73643563105 TCL: atom 1: phi = 0.840187072991 TCL: Center of mass = 47.8475868095 -1.34113795741 -3.73657513756 TCL: atom 1: phi = 0.839969495552 TCL: Center of mass = 47.8509619119 -1.34125511542 -3.73671510998 TCL: atom 1: phi = 0.839473004524 TCL: Center of mass = 47.8543401417 -1.34138750113 -3.73684916841 TCL: atom 1: phi = 0.839174111266 TCL: Center of mass = 47.8577144628 -1.34151285786 -3.73698356995 TCL: atom 1: phi = 0.838617262448 TCL: Center of mass = 47.8610874083 -1.34164531381 -3.73712416824 TCL: atom 1: phi = 0.838302409614 TCL: Center of mass = 47.8644590699 -1.34178113492 -3.73727052804 TCL: atom 1: phi = 0.837776696766 TCL: Center of mass = 47.8678297631 -1.34190637361 -3.73742772598 TCL: atom 1: phi = 0.837482442244 TCL: Center of mass = 47.8712156075 -1.34204449539 -3.73758296896 TCL: atom 1: phi = 0.836990240982 TCL: Center of mass = 47.8746043801 -1.34219712524 -3.73774054823 TCL: atom 1: phi = 0.836701421892 TCL: Center of mass = 47.8779923875 -1.34235822019 -3.73791381687 TCL: atom 1: phi = 0.836154415983 TCL: Center of mass = 47.8813622116 -1.34252450975 -3.73808121916 TCL: atom 1: phi = 0.83591429782 TCL: Center of mass = 47.8847296168 -1.34268124541 -3.73825690651 TCL: atom 1: phi = 0.835532339848 TCL: Center of mass = 47.8880978367 -1.34284882462 -3.73844207921 TCL: atom 1: phi = 0.835459537681 TCL: Center of mass = 47.891465182 -1.34302205631 -3.73862047212 TCL: atom 1: phi = 0.835261932323 TCL: Center of mass = 47.8948290509 -1.34318346515 -3.73878898682 TCL: atom 1: phi = 0.835368624424 TCL: Center of mass = 47.8981957438 -1.34335215938 -3.7389558512 TCL: atom 1: phi = 0.835328652834 TCL: Center of mass = 47.9015757889 -1.34351268005 -3.73911843828 TCL: atom 1: phi = 0.83550677244 TCL: Center of mass = 47.904960096 -1.34366607015 -3.73929444562 TCL: atom 1: phi = 0.835542120649 TCL: Center of mass = 47.9083405196 -1.34382014261 -3.73946033252 TCL: atom 1: phi = 0.835876325597 TCL: Center of mass = 47.9117333988 -1.34396729373 -3.73962229709 TCL: atom 1: phi = 0.836042348026 TCL: Center of mass = 47.9151285868 -1.34411526475 -3.73977825815 TCL: atom 1: phi = 0.83653328819 TCL: Center of mass = 47.9185221455 -1.34426755659 -3.73991569335 TCL: atom 1: phi = 0.836973166322 TCL: Center of mass = 47.9219090218 -1.3444237822 -3.74004764855 TCL: atom 1: phi = 0.837748063934 TCL: Center of mass = 47.9253067225 -1.34458879388 -3.74018948845 TCL: atom 1: phi = 0.83842713805 TCL: Center of mass = 47.9287073136 -1.34474885113 -3.74032369118 TCL: atom 1: phi = 0.839448878311 TCL: Center of mass = 47.9321179882 -1.34489902036 -3.74045430203 TCL: atom 1: phi = 0.840341658546 TCL: Center of mass = 47.9355387656 -1.34504602737 -3.74058784408 TCL: atom 1: phi = 0.841532881654 TCL: Center of mass = 47.9389624001 -1.34518436691 -3.74071471592 TCL: atom 1: phi = 0.842400480907 TCL: Center of mass = 47.942382295 -1.34531654141 -3.74084843879 TCL: atom 1: phi = 0.843449794487 TCL: Center of mass = 47.9458013969 -1.34543698674 -3.7409929226 TCL: atom 1: phi = 0.844070526649 TCL: Center of mass = 47.9492260937 -1.34555720619 -3.74113149203 TCL: atom 1: phi = 0.844795959398 TCL: Center of mass = 47.9526450753 -1.34568873715 -3.74126898171 TCL: atom 1: phi = 0.845033420215 TCL: Center of mass = 47.9560537466 -1.34582850033 -3.74139866512 TCL: atom 1: phi = 0.84539522763 TCL: Center of mass = 47.9594598218 -1.34597045787 -3.74152773533 TCL: atom 1: phi = 0.845279663165 TCL: Center of mass = 47.9628686606 -1.34611077293 -3.74165911863 TCL: atom 1: phi = 0.845315348482 TCL: Center of mass = 47.9662758561 -1.34623884853 -3.74178049146 TCL: atom 1: phi = 0.844874204592 TCL: Center of mass = 47.9696907182 -1.34637368266 -3.74189951433 TCL: atom 1: phi = 0.844584625514 TCL: Center of mass = 47.9731051614 -1.34650127402 -3.74201443407 TCL: atom 1: phi = 0.843795454645 TCL: Center of mass = 47.9765261071 -1.34661905737 -3.74213815862 TCL: atom 1: phi = 0.84308412413 TCL: Center of mass = 47.9799359378 -1.34673286165 -3.74226095365 TCL: atom 1: phi = 0.841895084902 TCL: Center of mass = 47.9833698732 -1.3468486916 -3.74238560275 TCL: atom 1: phi = 0.840826344697 TCL: Center of mass = 47.9867981725 -1.34695620637 -3.74252041277 TCL: atom 1: phi = 0.839388772573 TCL: Center of mass = 47.9902196649 -1.34705442572 -3.74265038776 TCL: atom 1: phi = 0.83814944284 TCL: Center of mass = 47.9936526624 -1.34714680296 -3.7427806573 TCL: atom 1: phi = 0.83666230473 TCL: Center of mass = 47.9970932179 -1.34724447158 -3.74291252588 TCL: atom 1: phi = 0.83548074492 TCL: Center of mass = 48.0005304877 -1.34734372341 -3.74305321823 TCL: atom 1: phi = 0.834182007287 TCL: Center of mass = 48.0039726811 -1.34743542748 -3.74319064225 TCL: atom 1: phi = 0.833229425267 TCL: Center of mass = 48.0074015825 -1.34752233923 -3.74333422396 TCL: atom 1: phi = 0.832174484667 TCL: Center of mass = 48.0108306252 -1.34762016697 -3.74346582585 TCL: atom 1: phi = 0.831429084759 TCL: Center of mass = 48.0142630158 -1.3477097677 -3.74360224113 TCL: atom 1: phi = 0.830589729119 TCL: Center of mass = 48.0176868211 -1.34779798357 -3.74375405072 TCL: atom 1: phi = 0.830028460182 TCL: Center of mass = 48.0211134638 -1.34788863247 -3.74389660257 TCL: atom 1: phi = 0.829416859298 TCL: Center of mass = 48.024538961 -1.34797633189 -3.74403576857 TCL: atom 1: phi = 0.829113114162 TCL: Center of mass = 48.0279564476 -1.34805866797 -3.74417867996 TCL: atom 1: phi = 0.828747954315 TCL: Center of mass = 48.0313811758 -1.34811788295 -3.74433202 TCL: atom 1: phi = 0.828648773413 TCL: Center of mass = 48.0348034164 -1.34817484061 -3.74446343477 TCL: atom 1: phi = 0.828466055345 TCL: Center of mass = 48.0382326953 -1.34824295517 -3.74459381376 TCL: atom 1: phi = 0.828512240097 TCL: Center of mass = 48.0416613988 -1.34830987976 -3.74471990398 TCL: atom 1: phi = 0.828492940902 TCL: Center of mass = 48.0450863592 -1.34836421008 -3.74483501653 TCL: atom 1: phi = 0.828670573678 TCL: Center of mass = 48.0484984959 -1.34841688606 -3.74495848641 TCL: atom 1: phi = 0.828700612023 TCL: Center of mass = 48.0519146549 -1.34847032442 -3.74507735773 TCL: atom 1: phi = 0.828901831875 TCL: Center of mass = 48.0553234702 -1.34852079993 -3.74518961071 TCL: atom 1: phi = 0.828981788151 TCL: Center of mass = 48.058733632 -1.34856451127 -3.74530209073 TCL: atom 1: phi = 0.829216268884 TCL: Center of mass = 48.0621501399 -1.34859922524 -3.74543010435 TCL: atom 1: phi = 0.829373932744 TCL: Center of mass = 48.065564987 -1.34864741032 -3.74555365053 TCL: atom 1: phi = 0.829741597951 TCL: Center of mass = 48.0689800714 -1.34869197265 -3.7456680905 TCL: atom 1: phi = 0.83008292756 TCL: Center of mass = 48.072392123 -1.34872905637 -3.74578050563 TCL: atom 1: phi = 0.830641028701 TCL: Center of mass = 48.0757999791 -1.34875644698 -3.74588740067 TCL: atom 1: phi = 0.831145993933 TCL: Center of mass = 48.0792129517 -1.34878358932 -3.74599697137 TCL: atom 1: phi = 0.831803338393 TCL: Center of mass = 48.0826345393 -1.34881182712 -3.74611115531 TCL: atom 1: phi = 0.832364412866 TCL: Center of mass = 48.0860496478 -1.34884185945 -3.74622139055 TCL: atom 1: phi = 0.833071696214 TCL: Center of mass = 48.0894707889 -1.34887259902 -3.74633630925 TCL: atom 1: phi = 0.833592952995 TCL: Center of mass = 48.0928985131 -1.34889579653 -3.7464507318 TCL: atom 1: phi = 0.834266069178 TCL: Center of mass = 48.0963229444 -1.34891875819 -3.7465605566 TCL: atom 1: phi = 0.834731159253 TCL: Center of mass = 48.099753126 -1.34893706071 -3.74666803039 TCL: atom 1: phi = 0.835362952597 TCL: Center of mass = 48.1031779912 -1.34894602402 -3.74678851084 TCL: atom 1: phi = 0.835782585471 TCL: Center of mass = 48.1065992572 -1.34894217171 -3.74690768851 TCL: atom 1: phi = 0.836337470275 TCL: Center of mass = 48.1100200149 -1.34893225438 -3.7470302341 TCL: atom 1: phi = 0.836663639179 TCL: Center of mass = 48.113426398 -1.34891699542 -3.7471491702 TCL: atom 1: phi = 0.837052444515 TCL: Center of mass = 48.1168308681 -1.34889872514 -3.74726642338 TCL: atom 1: phi = 0.837102917288 TCL: Center of mass = 48.1202383511 -1.34888075532 -3.74736419181 TCL: atom 1: phi = 0.837154474138 TCL: Center of mass = 48.1236538397 -1.34886808631 -3.74745441091 TCL: atom 1: phi = 0.836844246956 TCL: Center of mass = 48.1270656325 -1.34884738182 -3.74753641218 TCL: atom 1: phi = 0.83656923564 TCL: Center of mass = 48.1304755775 -1.34883060644 -3.74761195059 TCL: atom 1: phi = 0.836042489423 TCL: Center of mass = 48.1338809011 -1.34881094138 -3.74768819011 TCL: atom 1: phi = 0.835688749041 TCL: Center of mass = 48.1372779016 -1.34880126283 -3.74776884678 TCL: atom 1: phi = 0.835141853123 TCL: Center of mass = 48.1406740594 -1.34880199676 -3.74785966197 TCL: atom 1: phi = 0.834804081972 TCL: Center of mass = 48.144070503 -1.34880315369 -3.74795044601 TCL: atom 1: phi = 0.834313805415 TCL: Center of mass = 48.1474691616 -1.34881617435 -3.74804321011 TCL: atom 1: phi = 0.834018306198 TCL: Center of mass = 48.1508707449 -1.34882629817 -3.74813069057 TCL: atom 1: phi = 0.833607918814 TCL: Center of mass = 48.1542846366 -1.34883853902 -3.74821779828 TCL: atom 1: phi = 0.833411806791 TCL: Center of mass = 48.1577005247 -1.34884198162 -3.7483032691 TCL: atom 1: phi = 0.833058158988 TCL: Center of mass = 48.1611174981 -1.34885250971 -3.74838324962 TCL: atom 1: phi = 0.832917797613 TCL: Center of mass = 48.1645412459 -1.34885319059 -3.7484550767 TCL: atom 1: phi = 0.832653474404 TCL: Center of mass = 48.1679789598 -1.34884231064 -3.74853493468 TCL: atom 1: phi = 0.832629039373 TIMING: 16300 CPU: 2797.78, 0.172324/step Wall: 3420.62, 0.212102/step, 0.217994 hours remaining, 22052 kB of memory in use. ENERGY: 16300 402.7856 675.3682 407.4812 44.2917 -2760.9979 -239.8953 0.0000 0.0000 1209.2021 -261.7644 329.5414 -253.2428 -252.4484 322.2366 1096.8269 901.4950 64000.0000 1092.5166 1100.6172 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16300 WRITING COORDINATES TO DCD FILE AT STEP 16300 WRITING COORDINATES TO RESTART FILE AT STEP 16300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 48.1714121058 -1.34881910761 -3.74861142946 TCL: atom 1: phi = 0.832505731702 TCL: Center of mass = 48.1748535444 -1.34878044428 -3.74869315147 TCL: atom 1: phi = 0.832598452987 TCL: Center of mass = 48.1782965529 -1.34874342542 -3.748786971 TCL: atom 1: phi = 0.83250456808 TCL: Center of mass = 48.1817422586 -1.34870813817 -3.74888150552 TCL: atom 1: phi = 0.83253325254 TCL: Center of mass = 48.1851901059 -1.34867990394 -3.7489705985 TCL: atom 1: phi = 0.8322970902 TCL: Center of mass = 48.188626861 -1.34865825301 -3.74905565452 TCL: atom 1: phi = 0.832150274817 TCL: Center of mass = 48.1920651299 -1.34864283789 -3.74913339685 TCL: atom 1: phi = 0.831734616491 TCL: Center of mass = 48.1955063042 -1.34863867913 -3.74920633794 TCL: atom 1: phi = 0.831402895178 TCL: Center of mass = 48.1989469827 -1.34862109052 -3.7492793588 TCL: atom 1: phi = 0.830815160418 TCL: Center of mass = 48.2023880139 -1.34860990566 -3.74935002462 TCL: atom 1: phi = 0.83035328317 TCL: Center of mass = 48.2058338544 -1.3485957474 -3.74942634312 TCL: atom 1: phi = 0.829726379648 TCL: Center of mass = 48.2092795278 -1.34857112806 -3.74949848202 TCL: atom 1: phi = 0.829281937901 TCL: Center of mass = 48.212708115 -1.34854911966 -3.74956971841 TCL: atom 1: phi = 0.828702275692 TCL: Center of mass = 48.2161250809 -1.34853199491 -3.7496409962 TCL: atom 1: phi = 0.828291150612 TCL: Center of mass = 48.2195350701 -1.34850793747 -3.74970754291 TCL: atom 1: phi = 0.827805855304 TCL: Center of mass = 48.2229342952 -1.34848731557 -3.74976368977 TCL: atom 1: phi = 0.8274803216 TCL: Center of mass = 48.2263383482 -1.34847260341 -3.74981497276 TCL: atom 1: phi = 0.826993593659 TCL: Center of mass = 48.2297543617 -1.34846246038 -3.74986754286 TCL: atom 1: phi = 0.826650359799 TCL: Center of mass = 48.2331561952 -1.34845387485 -3.74993127212 TCL: atom 1: phi = 0.826221574335 TCL: Center of mass = 48.2365527711 -1.34844459935 -3.74999408513 TCL: atom 1: phi = 0.82603759578 TCL: Center of mass = 48.239951191 -1.34843732865 -3.75006573298 TCL: atom 1: phi = 0.825807396957 TCL: Center of mass = 48.2433501603 -1.34842626091 -3.75013548442 TCL: atom 1: phi = 0.825769087691 TCL: Center of mass = 48.2467454542 -1.34841046912 -3.75018825416 TCL: atom 1: phi = 0.825686055209 TCL: Center of mass = 48.2501340828 -1.34838667299 -3.750244404 TCL: atom 1: phi = 0.825759634853 TCL: Center of mass = 48.2535093068 -1.34835559494 -3.75030270259 TCL: atom 1: phi = 0.825763777711 TCL: Center of mass = 48.256888492 -1.34832294873 -3.75037292655 TCL: atom 1: phi = 0.825912864599 TCL: Center of mass = 48.2602708521 -1.34830394939 -3.75044977203 TCL: atom 1: phi = 0.825964610517 TCL: Center of mass = 48.2636579254 -1.34829255383 -3.7505127922 TCL: atom 1: phi = 0.826145705434 TCL: Center of mass = 48.2670455055 -1.34828324021 -3.75057632114 TCL: atom 1: phi = 0.826204918455 TCL: Center of mass = 48.2704394417 -1.34827824987 -3.75064248472 TCL: atom 1: phi = 0.826433353144 TCL: Center of mass = 48.2738268766 -1.34827811636 -3.75070932999 TCL: atom 1: phi = 0.826643207311 TCL: Center of mass = 48.2771961172 -1.34827898928 -3.75077433437 TCL: atom 1: phi = 0.827026705876 TCL: Center of mass = 48.2805653791 -1.34827382932 -3.75083746541 TCL: atom 1: phi = 0.827396317497 TCL: Center of mass = 48.2839233855 -1.34827055981 -3.75090123924 TCL: atom 1: phi = 0.827942119798 TCL: Center of mass = 48.2872846306 -1.34826736352 -3.75097986208 TCL: atom 1: phi = 0.82842264361 TCL: Center of mass = 48.2906529183 -1.34827798577 -3.75105292834 TCL: atom 1: phi = 0.829069085101 TCL: Center of mass = 48.2940287939 -1.34829607521 -3.75113112586 TCL: atom 1: phi = 0.829621956756 TCL: Center of mass = 48.2973945097 -1.3482998085 -3.75119989461 TCL: atom 1: phi = 0.830300031126 TCL: Center of mass = 48.3007615196 -1.34830456534 -3.75125945159 TCL: atom 1: phi = 0.830828592503 TCL: Center of mass = 48.3041344666 -1.34830197311 -3.75132058343 TCL: atom 1: phi = 0.831448668825 TCL: Center of mass = 48.3075246935 -1.34830262731 -3.75138436473 TCL: atom 1: phi = 0.83193113855 TCL: Center of mass = 48.3109212505 -1.34830907865 -3.75144950747 TCL: atom 1: phi = 0.83261452763 TCL: Center of mass = 48.3143115564 -1.34832314223 -3.75150828632 TCL: atom 1: phi = 0.833269197928 TCL: Center of mass = 48.3176961013 -1.3483520502 -3.75157398711 TCL: atom 1: phi = 0.834063973997 TCL: Center of mass = 48.3210744726 -1.34839381496 -3.75162832941 TCL: atom 1: phi = 0.834723280344 TCL: Center of mass = 48.3244599413 -1.34843008042 -3.75169321949 TCL: atom 1: phi = 0.83550281522 TCL: Center of mass = 48.3278514409 -1.34845524496 -3.75175012543 TCL: atom 1: phi = 0.836081221865 TCL: Center of mass = 48.3312334052 -1.34848005986 -3.75180705603 TCL: atom 1: phi = 0.836718878715 TCL: Center of mass = 48.3346100813 -1.34849034383 -3.75186631958 TCL: atom 1: phi = 0.837078771883 TCL: Center of mass = 48.3379774832 -1.34848824616 -3.75193668791 TCL: atom 1: phi = 0.837579064459 TCL: Center of mass = 48.3413414966 -1.34848996424 -3.75200207218 TCL: atom 1: phi = 0.837905622814 TCL: Center of mass = 48.3447014123 -1.34848800075 -3.75207050842 TCL: atom 1: phi = 0.838442071943 TCL: Center of mass = 48.3480576029 -1.34848315654 -3.75214233569 TCL: atom 1: phi = 0.838791989266 TCL: Center of mass = 48.3514160025 -1.34847131859 -3.75222135848 TCL: atom 1: phi = 0.8393927113 TCL: Center of mass = 48.3547704252 -1.348450132 -3.75231253638 TCL: atom 1: phi = 0.839816535063 TCL: Center of mass = 48.3581134107 -1.34842054488 -3.75241171508 TCL: atom 1: phi = 0.840396620099 TCL: Center of mass = 48.3614444068 -1.34840170065 -3.75249798341 TCL: atom 1: phi = 0.840676589829 TCL: Center of mass = 48.3647854821 -1.34838242369 -3.75258138992 TCL: atom 1: phi = 0.841039331552 TCL: Center of mass = 48.3681266536 -1.34836795074 -3.75266864688 TCL: atom 1: phi = 0.84103923764 TCL: Center of mass = 48.3714683296 -1.34835488383 -3.75275887411 TCL: atom 1: phi = 0.841145293055 TCL: Center of mass = 48.3748048485 -1.34833639891 -3.75284152091 TCL: atom 1: phi = 0.840946653282 TCL: Center of mass = 48.3781495395 -1.34833352014 -3.75292481182 TCL: atom 1: phi = 0.840947397014 TCL: Center of mass = 48.3814932565 -1.34831637925 -3.75301235495 TCL: atom 1: phi = 0.84075510537 TCL: Center of mass = 48.3848450852 -1.34828935538 -3.75310667638 TCL: atom 1: phi = 0.840779651993 TCL: Center of mass = 48.3882062684 -1.34826346151 -3.7532009562 TCL: atom 1: phi = 0.840644529455 TCL: Center of mass = 48.3915783123 -1.34823473584 -3.75329134918 TCL: atom 1: phi = 0.840728759765 TCL: Center of mass = 48.3949569038 -1.34820232603 -3.75338890395 TCL: atom 1: phi = 0.840601079926 TCL: Center of mass = 48.3983340486 -1.34817642973 -3.75349125884 TCL: atom 1: phi = 0.840638201016 TCL: Center of mass = 48.4017254492 -1.34815211745 -3.75359221443 TCL: atom 1: phi = 0.840379384268 TCL: Center of mass = 48.4051132049 -1.3481354182 -3.75370152559 TCL: atom 1: phi = 0.840287202721 TCL: Center of mass = 48.4084939437 -1.34810758455 -3.75381224224 TCL: atom 1: phi = 0.840045734891 TCL: Center of mass = 48.4118801406 -1.348075215 -3.75393047833 TCL: atom 1: phi = 0.8400417904 TCL: Center of mass = 48.4152585699 -1.34804907626 -3.75403331865 TCL: atom 1: phi = 0.839987629583 TCL: Center of mass = 48.4186391143 -1.34802049217 -3.7541314731 TCL: atom 1: phi = 0.840270153217 TCL: Center of mass = 48.4220190625 -1.34800014379 -3.75423011339 TCL: atom 1: phi = 0.840479255486 TCL: Center of mass = 48.4254041582 -1.34797580515 -3.75432986643 TCL: atom 1: phi = 0.840953674404 TCL: Center of mass = 48.4287796705 -1.34795436217 -3.75441857822 TCL: atom 1: phi = 0.841308304434 TCL: Center of mass = 48.4321594678 -1.34794063336 -3.75451102485 TCL: atom 1: phi = 0.841865611358 TCL: Center of mass = 48.4355377924 -1.34793280696 -3.75459739683 TCL: atom 1: phi = 0.842275378785 TCL: Center of mass = 48.4389250939 -1.34792705731 -3.75469899737 TCL: atom 1: phi = 0.842897294265 TCL: Center of mass = 48.442308961 -1.34793181028 -3.75479183558 TCL: atom 1: phi = 0.843327007981 TCL: Center of mass = 48.4456833029 -1.34793596772 -3.75489202881 TCL: atom 1: phi = 0.843910117674 TCL: Center of mass = 48.4490542507 -1.34795765566 -3.75499273913 TCL: atom 1: phi = 0.844274560408 TCL: Center of mass = 48.4524214949 -1.34797986823 -3.75510516532 TCL: atom 1: phi = 0.844766581617 TCL: Center of mass = 48.4557831701 -1.34799420797 -3.75522448187 TCL: atom 1: phi = 0.844978075901 TCL: Center of mass = 48.4591477157 -1.34800747364 -3.75532898087 TCL: atom 1: phi = 0.845271350003 TCL: Center of mass = 48.4625133114 -1.34802335665 -3.75543098739 TCL: atom 1: phi = 0.845221595621 TCL: Center of mass = 48.465878801 -1.3480516199 -3.75553480214 TCL: atom 1: phi = 0.845224024506 TCL: Center of mass = 48.469238619 -1.3480726939 -3.75563265623 TCL: atom 1: phi = 0.844903692192 TCL: Center of mass = 48.4725981435 -1.3480829328 -3.75573206279 TCL: atom 1: phi = 0.844697981264 TCL: Center of mass = 48.4759514935 -1.34810236194 -3.75582387623 TCL: atom 1: phi = 0.84420349273 TCL: Center of mass = 48.4792979862 -1.34812047024 -3.75591196189 TCL: atom 1: phi = 0.843882002616 TCL: Center of mass = 48.4826548846 -1.34813383229 -3.75599908775 TCL: atom 1: phi = 0.843379701577 TCL: Center of mass = 48.4860098925 -1.34813307615 -3.75607258683 TCL: atom 1: phi = 0.843024710439 TCL: Center of mass = 48.4893549352 -1.34813236571 -3.7561480459 TCL: atom 1: phi = 0.842532076757 TCL: Center of mass = 48.4927038628 -1.34813314403 -3.75621050152 TCL: atom 1: phi = 0.842242940143 TCL: Center of mass = 48.4960491642 -1.34813122368 -3.75626951888 TCL: atom 1: phi = 0.841821685878 TCL: Center of mass = 48.4993841442 -1.34811784656 -3.75631793763 TCL: atom 1: phi = 0.841596995175 TCL: Center of mass = 48.5027231527 -1.34810354201 -3.75636910013 TCL: atom 1: phi = 0.841251336882 TCL: Center of mass = 48.5060639675 -1.34809329754 -3.75642087528 TCL: atom 1: phi = 0.841110487426 TIMING: 16400 CPU: 2815.04, 0.172604/step Wall: 3441.77, 0.211503/step, 0.211503 hours remaining, 22054 kB of memory in use. ENERGY: 16400 425.5860 684.4513 414.0028 47.1601 -2792.2122 -229.9953 0.0000 0.0000 1177.5439 -273.4634 320.9137 -265.4949 -262.3981 321.5579 969.1333 864.0725 64000.0000 1187.1096 1188.9905 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16400 WRITING COORDINATES TO DCD FILE AT STEP 16400 WRITING COORDINATES TO RESTART FILE AT STEP 16400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 48.509398855 -1.3480934962 -3.75647034758 TCL: atom 1: phi = 0.840816274252 TCL: Center of mass = 48.5127301466 -1.34810432774 -3.75651363672 TCL: atom 1: phi = 0.840738082595 TCL: Center of mass = 48.5160594851 -1.3481145639 -3.75655689903 TCL: atom 1: phi = 0.840580531684 TCL: Center of mass = 48.5193837669 -1.34811580064 -3.75659962533 TCL: atom 1: phi = 0.840650084256 TCL: Center of mass = 48.5227046188 -1.34811042842 -3.75665348331 TCL: atom 1: phi = 0.84064438401 TCL: Center of mass = 48.5260147157 -1.34811278198 -3.75670203269 TCL: atom 1: phi = 0.840879676368 TCL: Center of mass = 48.5293236977 -1.34812011851 -3.75673692924 TCL: atom 1: phi = 0.840982541989 TCL: Center of mass = 48.5326227096 -1.34813606853 -3.7567649126 TCL: atom 1: phi = 0.841277961307 TCL: Center of mass = 48.5359204118 -1.34814732143 -3.75679069896 TCL: atom 1: phi = 0.841346843585 TCL: Center of mass = 48.5392073247 -1.34816266344 -3.7568217123 TCL: atom 1: phi = 0.841585040141 TCL: Center of mass = 48.5425003112 -1.34818194046 -3.75686382097 TCL: atom 1: phi = 0.841564567924 TCL: Center of mass = 48.5457835537 -1.34820852531 -3.75690013382 TCL: atom 1: phi = 0.841687029117 TCL: Center of mass = 48.5490556265 -1.34824362388 -3.75693921847 TCL: atom 1: phi = 0.841524438765 TCL: Center of mass = 48.5523160536 -1.34827913176 -3.75697945172 TCL: atom 1: phi = 0.841483557405 TCL: Center of mass = 48.5555741752 -1.34832350161 -3.75701900178 TCL: atom 1: phi = 0.841202364917 TCL: Center of mass = 48.5588258512 -1.34837160936 -3.75705335883 TCL: atom 1: phi = 0.841122325615 TCL: Center of mass = 48.5620750054 -1.34842285647 -3.75709086079 TCL: atom 1: phi = 0.840827897869 TCL: Center of mass = 48.5653304115 -1.34847091474 -3.75713303637 TCL: atom 1: phi = 0.840671144051 TCL: Center of mass = 48.5685855185 -1.34851463765 -3.75718588195 TCL: atom 1: phi = 0.840299134423 TCL: Center of mass = 48.5718411187 -1.34856179137 -3.75722420997 TCL: atom 1: phi = 0.840087646224 TCL: Center of mass = 48.5751028207 -1.34862169511 -3.75725228982 TCL: atom 1: phi = 0.839691618337 TCL: Center of mass = 48.5783440481 -1.34867297185 -3.75728667488 TCL: atom 1: phi = 0.839503385461 TCL: Center of mass = 48.5815943621 -1.34872527672 -3.75732000491 TCL: atom 1: phi = 0.839037441858 TCL: Center of mass = 48.5848306592 -1.34877926738 -3.75734956018 TCL: atom 1: phi = 0.838718985415 TCL: Center of mass = 48.588064245 -1.34883295646 -3.75737313246 TCL: atom 1: phi = 0.838154763898 TCL: Center of mass = 48.5913069278 -1.34888968312 -3.75740230425 TCL: atom 1: phi = 0.837763544181 TCL: Center of mass = 48.5945491024 -1.34894650943 -3.75742440734 TCL: atom 1: phi = 0.837202906757 TCL: Center of mass = 48.5977961374 -1.34901111242 -3.75744039977 TCL: atom 1: phi = 0.836845371269 TCL: Center of mass = 48.6010420755 -1.34907656118 -3.75745510845 TCL: atom 1: phi = 0.83629146066 TCL: Center of mass = 48.6042987355 -1.34915383324 -3.75746488453 TCL: atom 1: phi = 0.835929879532 TCL: Center of mass = 48.6075706224 -1.34922103137 -3.7574661122 TCL: atom 1: phi = 0.835381292495 TCL: Center of mass = 48.6108355035 -1.34929514041 -3.75746617118 TCL: atom 1: phi = 0.835021623316 TCL: Center of mass = 48.6141021217 -1.34936952205 -3.75747436285 TCL: atom 1: phi = 0.834492828122 TCL: Center of mass = 48.6173738932 -1.34943905971 -3.75747231452 TCL: atom 1: phi = 0.834129291149 TCL: Center of mass = 48.6206471513 -1.34950265907 -3.75747930701 TCL: atom 1: phi = 0.833627811413 TCL: Center of mass = 48.6239227832 -1.3495619838 -3.75747545264 TCL: atom 1: phi = 0.833379119354 TCL: Center of mass = 48.627208171 -1.34961375668 -3.75746871524 TCL: atom 1: phi = 0.83301543847 TCL: Center of mass = 48.6304818174 -1.34965988197 -3.75744435491 TCL: atom 1: phi = 0.832916733352 TCL: Center of mass = 48.6337576447 -1.34971486421 -3.75742746024 TCL: atom 1: phi = 0.832745537719 TCL: Center of mass = 48.6370294719 -1.34978010112 -3.75742709689 TCL: atom 1: phi = 0.832847886449 TCL: Center of mass = 48.6402919656 -1.34984426093 -3.75743612005 TCL: atom 1: phi = 0.832818146701 TCL: Center of mass = 48.6435608388 -1.34992463706 -3.75744776555 TCL: atom 1: phi = 0.832959983588 TCL: Center of mass = 48.6468300156 -1.35001375309 -3.75746545254 TCL: atom 1: phi = 0.83291482898 TCL: Center of mass = 48.6500898276 -1.3501112519 -3.75748297672 TCL: atom 1: phi = 0.83306905165 TCL: Center of mass = 48.6533597753 -1.35021210625 -3.75750122681 TCL: atom 1: phi = 0.83300382081 TCL: Center of mass = 48.6566320278 -1.35031931159 -3.7575231045 TCL: atom 1: phi = 0.833095386077 TCL: Center of mass = 48.6598978704 -1.3504343461 -3.75753608664 TCL: atom 1: phi = 0.833005383706 TCL: Center of mass = 48.6631646656 -1.35056386081 -3.75755241281 TCL: atom 1: phi = 0.833111462589 TCL: Center of mass = 48.6664359156 -1.35068845636 -3.75756168844 TCL: atom 1: phi = 0.833010500413 TCL: Center of mass = 48.6697140438 -1.35081623202 -3.75757176665 TCL: atom 1: phi = 0.83311606227 TCL: Center of mass = 48.6730007644 -1.35094309696 -3.75758027938 TCL: atom 1: phi = 0.83305433048 TCL: Center of mass = 48.6762760683 -1.35106843078 -3.757585147 TCL: atom 1: phi = 0.833154473423 TCL: Center of mass = 48.6795411254 -1.35119264111 -3.75758666336 TCL: atom 1: phi = 0.833038895095 TCL: Center of mass = 48.6828127121 -1.35130728046 -3.75759024825 TCL: atom 1: phi = 0.833078014973 TCL: Center of mass = 48.686077688 -1.35142527577 -3.75758790417 TCL: atom 1: phi = 0.83285457082 TCL: Center of mass = 48.6893417974 -1.35154643741 -3.75758317959 TCL: atom 1: phi = 0.832785686774 TCL: Center of mass = 48.6926061114 -1.35166486856 -3.75757000548 TCL: atom 1: phi = 0.832528321606 TCL: Center of mass = 48.6958735018 -1.35177960447 -3.75755614911 TCL: atom 1: phi = 0.832526383345 TCL: Center of mass = 48.6991515851 -1.35188861289 -3.75753160632 TCL: atom 1: phi = 0.832342348089 TCL: Center of mass = 48.7024257652 -1.35199578992 -3.75751155242 TCL: atom 1: phi = 0.832482732141 TCL: Center of mass = 48.7056923329 -1.35211401718 -3.75749376543 TCL: atom 1: phi = 0.83253273627 TCL: Center of mass = 48.7089697834 -1.35223536436 -3.75747650598 TCL: atom 1: phi = 0.832939368316 TCL: Center of mass = 48.7122517958 -1.3523603879 -3.75746474114 TCL: atom 1: phi = 0.833184318161 TCL: Center of mass = 48.7155368095 -1.35249099999 -3.75744704125 TCL: atom 1: phi = 0.833738869219 TCL: Center of mass = 48.7188142682 -1.35263061102 -3.7574245529 TCL: atom 1: phi = 0.834033646392 TCL: Center of mass = 48.7220915264 -1.35276656428 -3.75740503065 TCL: atom 1: phi = 0.834624060121 TCL: Center of mass = 48.7253722749 -1.35289982171 -3.75737446425 TCL: atom 1: phi = 0.834996790033 TCL: Center of mass = 48.7286513764 -1.35303330733 -3.75733801083 TCL: atom 1: phi = 0.83568110484 TCL: Center of mass = 48.7319227947 -1.35318140543 -3.75729997026 TCL: atom 1: phi = 0.836134226304 TCL: Center of mass = 48.7351974289 -1.35331526121 -3.7572656217 TCL: atom 1: phi = 0.836912274154 TCL: Center of mass = 48.7384795845 -1.35345032368 -3.75723078247 TCL: atom 1: phi = 0.83727484768 TCL: Center of mass = 48.7417588869 -1.3535804152 -3.75720359631 TCL: atom 1: phi = 0.837839797826 TCL: Center of mass = 48.7450518819 -1.35370157911 -3.7571632952 TCL: atom 1: phi = 0.83787601505 TCL: Center of mass = 48.7483393545 -1.3538340009 -3.75711988174 TCL: atom 1: phi = 0.838033953717 TCL: Center of mass = 48.7516221731 -1.3539687614 -3.75707924737 TCL: atom 1: phi = 0.837589824244 TCL: Center of mass = 48.7548951758 -1.35410735149 -3.75703661699 TCL: atom 1: phi = 0.837212719174 TCL: Center of mass = 48.7581703787 -1.35424150468 -3.7569881623 TCL: atom 1: phi = 0.836280209912 TCL: Center of mass = 48.7614335107 -1.35438453023 -3.75694600606 TCL: atom 1: phi = 0.835512563459 TCL: Center of mass = 48.7646838957 -1.35452959758 -3.75690499826 TCL: atom 1: phi = 0.834214027271 TCL: Center of mass = 48.7679342325 -1.35468741224 -3.75685758984 TCL: atom 1: phi = 0.833112842556 TCL: Center of mass = 48.7711862977 -1.35484348404 -3.75680693124 TCL: atom 1: phi = 0.831645323213 TCL: Center of mass = 48.7744389167 -1.35501056798 -3.75675062939 TCL: atom 1: phi = 0.830456292969 TCL: Center of mass = 48.7776877474 -1.35516719215 -3.75669997283 TCL: atom 1: phi = 0.828939142666 TCL: Center of mass = 48.7809269345 -1.35532096807 -3.75663350712 TCL: atom 1: phi = 0.827666073689 TCL: Center of mass = 48.7841815038 -1.35547439209 -3.75656730709 TCL: atom 1: phi = 0.826125079061 TCL: Center of mass = 48.7874427836 -1.35562642999 -3.75649673998 TCL: atom 1: phi = 0.824832119597 TCL: Center of mass = 48.7907241295 -1.35579592976 -3.75642136447 TCL: atom 1: phi = 0.823321611578 TCL: Center of mass = 48.7940124375 -1.35596242808 -3.75635095218 TCL: atom 1: phi = 0.822123799319 TCL: Center of mass = 48.7973033563 -1.35611976163 -3.75626814173 TCL: atom 1: phi = 0.820756618189 TCL: Center of mass = 48.8005927459 -1.35626802989 -3.756186224 TCL: atom 1: phi = 0.81970276364 TCL: Center of mass = 48.8038739092 -1.35642472502 -3.75610448203 TCL: atom 1: phi = 0.818516775733 TCL: Center of mass = 48.8071449108 -1.35659523166 -3.75601826804 TCL: atom 1: phi = 0.817669466372 TCL: Center of mass = 48.8104227014 -1.35675792154 -3.75592181849 TCL: atom 1: phi = 0.816673890839 TCL: Center of mass = 48.8137224684 -1.35691973289 -3.75583141978 TCL: atom 1: phi = 0.815906940131 TCL: Center of mass = 48.8170116324 -1.35707902264 -3.75573926539 TCL: atom 1: phi = 0.815003988834 TCL: Center of mass = 48.8203005419 -1.35724412054 -3.75563980521 TCL: atom 1: phi = 0.814317850928 TCL: Center of mass = 48.8235882187 -1.35740813928 -3.75554186211 TCL: atom 1: phi = 0.813467772887 TCL: Center of mass = 48.826877983 -1.35756794488 -3.75543464608 TCL: atom 1: phi = 0.812875082917 TCL: Center of mass = 48.8301570041 -1.35774437816 -3.75532153906 TCL: atom 1: phi = 0.812172210026 TCL: Center of mass = 48.833449973 -1.35791477382 -3.75519813258 TCL: atom 1: phi = 0.811710832031 TIMING: 16500 CPU: 2832.38, 0.173434/step Wall: 3462.93, 0.211567/step, 0.205691 hours remaining, 22054 kB of memory in use. ENERGY: 16500 412.2060 693.8159 431.4968 48.6033 -2796.1223 -202.0566 0.0000 0.0000 1158.1221 -253.9348 315.6207 -245.4156 -244.9319 318.3591 1716.3730 1311.0466 64000.0000 1182.1056 1175.0242 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16500 WRITING COORDINATES TO DCD FILE AT STEP 16500 WRITING COORDINATES TO RESTART FILE AT STEP 16500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 48.8367473852 -1.35808525762 -3.7550754851 TCL: atom 1: phi = 0.811226749813 TCL: Center of mass = 48.8400405099 -1.35825165385 -3.7549499576 TCL: atom 1: phi = 0.811056803636 TCL: Center of mass = 48.8433284792 -1.35841768499 -3.7548161734 TCL: atom 1: phi = 0.810929822544 TCL: Center of mass = 48.8466166516 -1.35858147355 -3.75467092987 TCL: atom 1: phi = 0.811181728112 TCL: Center of mass = 48.8499057813 -1.35874892014 -3.7545253319 TCL: atom 1: phi = 0.811415826033 TCL: Center of mass = 48.853200829 -1.35889401982 -3.75437316921 TCL: atom 1: phi = 0.811956435422 TCL: Center of mass = 48.8565036943 -1.35905374037 -3.75421563124 TCL: atom 1: phi = 0.812449349118 TCL: Center of mass = 48.8598093692 -1.35921964897 -3.75405979773 TCL: atom 1: phi = 0.813185419901 TCL: Center of mass = 48.8631114731 -1.35939041053 -3.75390081592 TCL: atom 1: phi = 0.813770840343 TCL: Center of mass = 48.8664044512 -1.3595542551 -3.7537457147 TCL: atom 1: phi = 0.814556678549 TCL: Center of mass = 48.8696898627 -1.35971355952 -3.75359096314 TCL: atom 1: phi = 0.815163942526 TCL: Center of mass = 48.8729716407 -1.3598652634 -3.75343127985 TCL: atom 1: phi = 0.815896976114 TCL: Center of mass = 48.8762527046 -1.3600048677 -3.75327809014 TCL: atom 1: phi = 0.816384364771 TCL: Center of mass = 48.8795398119 -1.36015001808 -3.75312544937 TCL: atom 1: phi = 0.816921299172 TCL: Center of mass = 48.8828287332 -1.36029853108 -3.75298214487 TCL: atom 1: phi = 0.81711294423 TCL: Center of mass = 48.8861293337 -1.36044536864 -3.75283835033 TCL: atom 1: phi = 0.817354660285 TCL: Center of mass = 48.8894377757 -1.36059510349 -3.75269422192 TCL: atom 1: phi = 0.817218243103 TCL: Center of mass = 48.8927454125 -1.36074033937 -3.75253229456 TCL: atom 1: phi = 0.817067744576 TCL: Center of mass = 48.8960521539 -1.36087678264 -3.75238115408 TCL: atom 1: phi = 0.816545897478 TCL: Center of mass = 48.899365846 -1.36102229866 -3.75222935761 TCL: atom 1: phi = 0.816054162397 TCL: Center of mass = 48.9026894193 -1.36117276582 -3.75207760903 TCL: atom 1: phi = 0.815341187061 TCL: Center of mass = 48.9060037764 -1.36132421782 -3.75194183174 TCL: atom 1: phi = 0.81476134956 TCL: Center of mass = 48.9093272498 -1.36147936839 -3.75180172516 TCL: atom 1: phi = 0.814043533693 TCL: Center of mass = 48.9126542322 -1.36164791022 -3.75165697831 TCL: atom 1: phi = 0.813603009048 TCL: Center of mass = 48.9159837347 -1.36182548225 -3.75150900724 TCL: atom 1: phi = 0.813109591476 TCL: Center of mass = 48.9193103703 -1.36200790852 -3.75136630934 TCL: atom 1: phi = 0.812896888462 TCL: Center of mass = 48.922633557 -1.36218943061 -3.75122377366 TCL: atom 1: phi = 0.812659539183 TCL: Center of mass = 48.9259516481 -1.3623601236 -3.75108148193 TCL: atom 1: phi = 0.812654435009 TCL: Center of mass = 48.9292711734 -1.36251976204 -3.75093407699 TCL: atom 1: phi = 0.812572340392 TCL: Center of mass = 48.9325865691 -1.36267749476 -3.75078743675 TCL: atom 1: phi = 0.812739400842 TCL: Center of mass = 48.9359060694 -1.36284156127 -3.75063755323 TCL: atom 1: phi = 0.812859189169 TCL: Center of mass = 48.9392451433 -1.36299644839 -3.7504901306 TCL: atom 1: phi = 0.813205828362 TCL: Center of mass = 48.94258876 -1.36315021063 -3.75033391129 TCL: atom 1: phi = 0.813452789327 TCL: Center of mass = 48.9459315412 -1.36331258128 -3.75017749348 TCL: atom 1: phi = 0.813911587086 TCL: Center of mass = 48.949269622 -1.363478784 -3.75001622146 TCL: atom 1: phi = 0.814266208179 TCL: Center of mass = 48.9526030599 -1.36364761217 -3.74985618846 TCL: atom 1: phi = 0.814816326278 TCL: Center of mass = 48.955933834 -1.36382793218 -3.74969783811 TCL: atom 1: phi = 0.81515680198 TCL: Center of mass = 48.9592601848 -1.3640059601 -3.74954041005 TCL: atom 1: phi = 0.815663993077 TCL: Center of mass = 48.9625928703 -1.36418561261 -3.74936676112 TCL: atom 1: phi = 0.815893779242 TCL: Center of mass = 48.9659334287 -1.36437271076 -3.74918573586 TCL: atom 1: phi = 0.816256203472 TCL: Center of mass = 48.9692785769 -1.36456708313 -3.74900734618 TCL: atom 1: phi = 0.816272860864 TCL: Center of mass = 48.9726273389 -1.36475520966 -3.7488269928 TCL: atom 1: phi = 0.8164472401 TCL: Center of mass = 48.9759671575 -1.36493905003 -3.7486444825 TCL: atom 1: phi = 0.816433082952 TCL: Center of mass = 48.9793171797 -1.36512355276 -3.74846476878 TCL: atom 1: phi = 0.816682236636 TCL: Center of mass = 48.9826715222 -1.36531144379 -3.74829045707 TCL: atom 1: phi = 0.816803500916 TCL: Center of mass = 48.9860220631 -1.36549212549 -3.74810951558 TCL: atom 1: phi = 0.817242705378 TCL: Center of mass = 48.989375758 -1.36567883697 -3.74792181346 TCL: atom 1: phi = 0.817485872139 TCL: Center of mass = 48.9927431786 -1.36586752875 -3.74773105303 TCL: atom 1: phi = 0.817959342375 TCL: Center of mass = 48.996114707 -1.3660542335 -3.74754062653 TCL: atom 1: phi = 0.818166146353 TCL: Center of mass = 48.9994843999 -1.36624115466 -3.74734152038 TCL: atom 1: phi = 0.818569757986 TCL: Center of mass = 49.0028442141 -1.36640867905 -3.74713976686 TCL: atom 1: phi = 0.818632590187 TCL: Center of mass = 49.0062013195 -1.36657273855 -3.7469501586 TCL: atom 1: phi = 0.818815601777 TCL: Center of mass = 49.0095677631 -1.36672617754 -3.74676025152 TCL: atom 1: phi = 0.818692855155 TCL: Center of mass = 49.0129229 -1.36687461638 -3.74657578488 TCL: atom 1: phi = 0.818755652663 TCL: Center of mass = 49.0162933864 -1.36702072173 -3.74640392438 TCL: atom 1: phi = 0.818490930973 TCL: Center of mass = 49.0196539826 -1.36715652931 -3.74623686325 TCL: atom 1: phi = 0.818441880356 TCL: Center of mass = 49.0230076404 -1.36729012067 -3.74607335634 TCL: atom 1: phi = 0.818048375805 TCL: Center of mass = 49.0263631786 -1.36742669513 -3.74591246011 TCL: atom 1: phi = 0.817867637734 TCL: Center of mass = 49.0297162918 -1.36756862212 -3.74574218782 TCL: atom 1: phi = 0.817340844848 TCL: Center of mass = 49.0330680501 -1.36771239871 -3.74557899364 TCL: atom 1: phi = 0.816968888756 TCL: Center of mass = 49.0364245227 -1.36785144362 -3.74540978875 TCL: atom 1: phi = 0.816268669528 TCL: Center of mass = 49.0397879006 -1.36796990318 -3.74523065223 TCL: atom 1: phi = 0.815787576186 TCL: Center of mass = 49.0431383123 -1.36809522076 -3.74505255276 TCL: atom 1: phi = 0.815095269266 TCL: Center of mass = 49.0464837987 -1.36822847841 -3.74488568596 TCL: atom 1: phi = 0.814732890649 TCL: Center of mass = 49.0498090108 -1.36836073368 -3.74471597406 TCL: atom 1: phi = 0.814365296469 TCL: Center of mass = 49.053151937 -1.36850087876 -3.74454483042 TCL: atom 1: phi = 0.814366473191 TCL: Center of mass = 49.0565000881 -1.36864663996 -3.74436762966 TCL: atom 1: phi = 0.814319157145 TCL: Center of mass = 49.0598399035 -1.36879073304 -3.74419885087 TCL: atom 1: phi = 0.814620959231 TCL: Center of mass = 49.0631843635 -1.36893036856 -3.74403423157 TCL: atom 1: phi = 0.814793582346 TCL: Center of mass = 49.0665152165 -1.36906958101 -3.74385920352 TCL: atom 1: phi = 0.81522939309 TCL: Center of mass = 49.0698508175 -1.36921227857 -3.74369242225 TCL: atom 1: phi = 0.81547787134 TCL: Center of mass = 49.0731805794 -1.36934823828 -3.74352367359 TCL: atom 1: phi = 0.815892974082 TCL: Center of mass = 49.0765113595 -1.36948216107 -3.74335265817 TCL: atom 1: phi = 0.816054132461 TCL: Center of mass = 49.0798433612 -1.36961169167 -3.74318293003 TCL: atom 1: phi = 0.816465273196 TCL: Center of mass = 49.0831812946 -1.3697478705 -3.74301718506 TCL: atom 1: phi = 0.816697634297 TCL: Center of mass = 49.0865115144 -1.3698877948 -3.74285214699 TCL: atom 1: phi = 0.817198330616 TCL: Center of mass = 49.0898447131 -1.37003389767 -3.74268981065 TCL: atom 1: phi = 0.817529416256 TCL: Center of mass = 49.0931725656 -1.37017727151 -3.74251738881 TCL: atom 1: phi = 0.818085915655 TCL: Center of mass = 49.0965150923 -1.37031683573 -3.74233732947 TCL: atom 1: phi = 0.818363152494 TCL: Center of mass = 49.0998358549 -1.37046660806 -3.74216092781 TCL: atom 1: phi = 0.818785880124 TCL: Center of mass = 49.1031679438 -1.3706136242 -3.7419825118 TCL: atom 1: phi = 0.81887486549 TCL: Center of mass = 49.1064913112 -1.37076324344 -3.74181933642 TCL: atom 1: phi = 0.819030243977 TCL: Center of mass = 49.1098171102 -1.37090131726 -3.74166288705 TCL: atom 1: phi = 0.818843503509 TCL: Center of mass = 49.1131437651 -1.37103519797 -3.74150561801 TCL: atom 1: phi = 0.818858814276 TCL: Center of mass = 49.1164679182 -1.37116045767 -3.74133857845 TCL: atom 1: phi = 0.818662004022 TCL: Center of mass = 49.1197842056 -1.37128601829 -3.74117775276 TCL: atom 1: phi = 0.818755095903 TCL: Center of mass = 49.1230997339 -1.37142523 -3.74102491708 TCL: atom 1: phi = 0.818720245502 TCL: Center of mass = 49.1264164272 -1.37156929331 -3.74087146627 TCL: atom 1: phi = 0.81901369806 TCL: Center of mass = 49.1297414678 -1.37170964361 -3.74072209553 TCL: atom 1: phi = 0.819181758167 TCL: Center of mass = 49.1330562862 -1.37184654173 -3.74055464884 TCL: atom 1: phi = 0.819541086656 TCL: Center of mass = 49.1363832352 -1.37198694001 -3.74038046176 TCL: atom 1: phi = 0.819663385196 TCL: Center of mass = 49.1397099913 -1.37213381868 -3.74020880006 TCL: atom 1: phi = 0.819972919651 TCL: Center of mass = 49.1430341983 -1.37229297689 -3.74003234509 TCL: atom 1: phi = 0.820058855947 TCL: Center of mass = 49.14635749 -1.37244997475 -3.7398552758 TCL: atom 1: phi = 0.820367170697 TCL: Center of mass = 49.149676927 -1.37260892048 -3.73969564489 TCL: atom 1: phi = 0.820542196282 TCL: Center of mass = 49.1529938759 -1.37277340533 -3.7395373206 TCL: atom 1: phi = 0.820997216731 TCL: Center of mass = 49.1563242376 -1.37292551424 -3.7393791922 TCL: atom 1: phi = 0.821296458256 TCL: Center of mass = 49.1596630972 -1.37308178016 -3.73922107242 TCL: atom 1: phi = 0.821841382081 TCL: Center of mass = 49.1629807613 -1.373237097 -3.73905734349 TCL: atom 1: phi = 0.822225938395 TCL: Center of mass = 49.1662993719 -1.37340014097 -3.73889588316 TCL: atom 1: phi = 0.822849618641 TIMING: 16600 CPU: 2849.92, 0.175373/step Wall: 3484.05, 0.211242/step, 0.199506 hours remaining, 22054 kB of memory in use. ENERGY: 16600 429.2286 716.4552 418.0186 42.0590 -2779.0285 -246.6133 0.0000 0.0000 1183.3049 -236.5755 322.4837 -227.6201 -228.5668 325.4237 357.5620 774.5450 64000.0000 1134.5757 1142.7611 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16600 WRITING COORDINATES TO DCD FILE AT STEP 16600 WRITING COORDINATES TO RESTART FILE AT STEP 16600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 49.169620268 -1.37355892641 -3.73873985687 TCL: atom 1: phi = 0.823266035794 TCL: Center of mass = 49.1729326159 -1.37371273297 -3.73856145444 TCL: atom 1: phi = 0.823922123792 TCL: Center of mass = 49.1762571426 -1.37386166134 -3.73839637056 TCL: atom 1: phi = 0.824309489861 TCL: Center of mass = 49.1795857423 -1.37400720404 -3.73822549316 TCL: atom 1: phi = 0.82495108761 TCL: Center of mass = 49.1829098567 -1.37415624732 -3.73805614655 TCL: atom 1: phi = 0.825368331665 TCL: Center of mass = 49.1862274131 -1.3742892984 -3.73789014844 TCL: atom 1: phi = 0.826094317485 TCL: Center of mass = 49.1895476804 -1.37441976951 -3.73772258753 TCL: atom 1: phi = 0.826650778609 TCL: Center of mass = 49.1928676769 -1.37454269564 -3.73755769077 TCL: atom 1: phi = 0.827559171098 TCL: Center of mass = 49.1961915186 -1.37466413419 -3.73737910586 TCL: atom 1: phi = 0.828226775843 TCL: Center of mass = 49.1995142826 -1.37479411025 -3.73719914215 TCL: atom 1: phi = 0.829119521173 TCL: Center of mass = 49.20283796 -1.37490929698 -3.73701984722 TCL: atom 1: phi = 0.829695561543 TCL: Center of mass = 49.206181143 -1.37502828226 -3.73685198877 TCL: atom 1: phi = 0.830444984811 TCL: Center of mass = 49.2095262478 -1.37515157811 -3.73667966389 TCL: atom 1: phi = 0.83078154958 TCL: Center of mass = 49.2128730872 -1.3752744306 -3.73650295867 TCL: atom 1: phi = 0.831221805695 TCL: Center of mass = 49.2162229181 -1.37539583371 -3.73632456616 TCL: atom 1: phi = 0.831279571046 TCL: Center of mass = 49.219568981 -1.37551784362 -3.73614690323 TCL: atom 1: phi = 0.831508697531 TCL: Center of mass = 49.2229285638 -1.37563292819 -3.73596607773 TCL: atom 1: phi = 0.831416539068 TCL: Center of mass = 49.2262970172 -1.37574626753 -3.73580063085 TCL: atom 1: phi = 0.83153073236 TCL: Center of mass = 49.2296717564 -1.37585619407 -3.73563363865 TCL: atom 1: phi = 0.831325923774 TCL: Center of mass = 49.2330613636 -1.37597487769 -3.73549685639 TCL: atom 1: phi = 0.83133944048 TCL: Center of mass = 49.236453799 -1.37609046198 -3.73535846754 TCL: atom 1: phi = 0.831050062605 TCL: Center of mass = 49.2398443078 -1.37620316195 -3.73522779516 TCL: atom 1: phi = 0.830874678242 TCL: Center of mass = 49.243238603 -1.3763141743 -3.7350897098 TCL: atom 1: phi = 0.830312109658 TCL: Center of mass = 49.2466332929 -1.37642835552 -3.73495229469 TCL: atom 1: phi = 0.829850245036 TCL: Center of mass = 49.2500212351 -1.37653675893 -3.73481589747 TCL: atom 1: phi = 0.829129006503 TCL: Center of mass = 49.2534127718 -1.37664508021 -3.73468613861 TCL: atom 1: phi = 0.828680062858 TCL: Center of mass = 49.256803308 -1.3767481182 -3.7345505023 TCL: atom 1: phi = 0.828089284287 TCL: Center of mass = 49.2601908164 -1.37685102137 -3.73440643474 TCL: atom 1: phi = 0.827782584864 TCL: Center of mass = 49.2635829609 -1.37695172315 -3.7342581936 TCL: atom 1: phi = 0.827405149503 TCL: Center of mass = 49.2669802183 -1.37704252941 -3.73411745541 TCL: atom 1: phi = 0.827283293404 TCL: Center of mass = 49.2703855415 -1.37712005928 -3.73397646711 TCL: atom 1: phi = 0.826993116398 TCL: Center of mass = 49.2737871971 -1.37720495939 -3.73382932932 TCL: atom 1: phi = 0.826920558683 TCL: Center of mass = 49.2771868671 -1.3772721163 -3.73368959018 TCL: atom 1: phi = 0.826606132773 TCL: Center of mass = 49.2805809267 -1.37733777397 -3.73355339314 TCL: atom 1: phi = 0.826370815542 TCL: Center of mass = 49.2839687516 -1.37740365294 -3.73342606513 TCL: atom 1: phi = 0.825817360173 TCL: Center of mass = 49.2873486569 -1.37746557413 -3.73330460632 TCL: atom 1: phi = 0.82541297871 TCL: Center of mass = 49.290724833 -1.37752895478 -3.73319165728 TCL: atom 1: phi = 0.824781244496 TCL: Center of mass = 49.2941022967 -1.37758997911 -3.73308691342 TCL: atom 1: phi = 0.824333584583 TCL: Center of mass = 49.2974743264 -1.37765147702 -3.73297526231 TCL: atom 1: phi = 0.823699642092 TCL: Center of mass = 49.3008569037 -1.37771817637 -3.73285469015 TCL: atom 1: phi = 0.823273153993 TCL: Center of mass = 49.3042416798 -1.37778781008 -3.73273848786 TCL: atom 1: phi = 0.822675453435 TCL: Center of mass = 49.3076306796 -1.37785312497 -3.73262798788 TCL: atom 1: phi = 0.822218442253 TCL: Center of mass = 49.3110319748 -1.37791613473 -3.73251557396 TCL: atom 1: phi = 0.821560654541 TCL: Center of mass = 49.314429923 -1.3779783864 -3.73239998593 TCL: atom 1: phi = 0.820999447264 TCL: Center of mass = 49.3178250198 -1.37804531455 -3.73229044725 TCL: atom 1: phi = 0.820272273065 TCL: Center of mass = 49.3212175544 -1.37811142944 -3.73218246593 TCL: atom 1: phi = 0.819695923435 TCL: Center of mass = 49.3246230906 -1.37817588268 -3.732076773 TCL: atom 1: phi = 0.818997963287 TCL: Center of mass = 49.3280352852 -1.37823088603 -3.7319737677 TCL: atom 1: phi = 0.818491655479 TCL: Center of mass = 49.3314513689 -1.37827949154 -3.73187288847 TCL: atom 1: phi = 0.817881944504 TCL: Center of mass = 49.3348678342 -1.37833006219 -3.73176431622 TCL: atom 1: phi = 0.817508496933 TCL: Center of mass = 49.3382869601 -1.37838274649 -3.73166368466 TCL: atom 1: phi = 0.817029861486 TCL: Center of mass = 49.3417086596 -1.37843896116 -3.73156034662 TCL: atom 1: phi = 0.816760162006 TCL: Center of mass = 49.3451239874 -1.3784978994 -3.73146030233 TCL: atom 1: phi = 0.81638086585 TCL: Center of mass = 49.3485382497 -1.37854799813 -3.73136355873 TCL: atom 1: phi = 0.81609379474 TCL: Center of mass = 49.3519559781 -1.37860564861 -3.73125238391 TCL: atom 1: phi = 0.815672270806 TCL: Center of mass = 49.3553831869 -1.37865956276 -3.73113109081 TCL: atom 1: phi = 0.815328512434 TCL: Center of mass = 49.3587972113 -1.37871051398 -3.73099978668 TCL: atom 1: phi = 0.814868334546 TCL: Center of mass = 49.3621957262 -1.37876878543 -3.73087875944 TCL: atom 1: phi = 0.814542066491 TCL: Center of mass = 49.3656078486 -1.37883602192 -3.73076602629 TCL: atom 1: phi = 0.814203427049 TCL: Center of mass = 49.3690243231 -1.37890911461 -3.73066077455 TCL: atom 1: phi = 0.81400497331 TCL: Center of mass = 49.3724349413 -1.3789900618 -3.73055634091 TCL: atom 1: phi = 0.813719101748 TCL: Center of mass = 49.3758475638 -1.3790771084 -3.73044417572 TCL: atom 1: phi = 0.81363207825 TCL: Center of mass = 49.3792533621 -1.37916620556 -3.73033642733 TCL: atom 1: phi = 0.813465303201 TCL: Center of mass = 49.3826653009 -1.37925672866 -3.73022871942 TCL: atom 1: phi = 0.813453099849 TCL: Center of mass = 49.3860743014 -1.37934342888 -3.73011918211 TCL: atom 1: phi = 0.813337085101 TCL: Center of mass = 49.3894840049 -1.37942744982 -3.73000427745 TCL: atom 1: phi = 0.813370113215 TCL: Center of mass = 49.3929004455 -1.37950522314 -3.72989009901 TCL: atom 1: phi = 0.813291679046 TCL: Center of mass = 49.3963169119 -1.37956643721 -3.72977885292 TCL: atom 1: phi = 0.813373007083 TCL: Center of mass = 49.3997203536 -1.37964134358 -3.72967351565 TCL: atom 1: phi = 0.813398682221 TCL: Center of mass = 49.4031334319 -1.37970321657 -3.72957550105 TCL: atom 1: phi = 0.813620847927 TCL: Center of mass = 49.4065452107 -1.37976736932 -3.72947777044 TCL: atom 1: phi = 0.813784481882 TCL: Center of mass = 49.4099519436 -1.37983318745 -3.72938890193 TCL: atom 1: phi = 0.814156984498 TCL: Center of mass = 49.4133593336 -1.37991075468 -3.72930882181 TCL: atom 1: phi = 0.814383404426 TCL: Center of mass = 49.4167638908 -1.37998571615 -3.7292137301 TCL: atom 1: phi = 0.814749291056 TCL: Center of mass = 49.4201667808 -1.38006452619 -3.72912474833 TCL: atom 1: phi = 0.81493402024 TCL: Center of mass = 49.4235810699 -1.38014769715 -3.72903328216 TCL: atom 1: phi = 0.815175426725 TCL: Center of mass = 49.4269975306 -1.3802359589 -3.72893813514 TCL: atom 1: phi = 0.815160777504 TCL: Center of mass = 49.4304167156 -1.3803301849 -3.72884394984 TCL: atom 1: phi = 0.815245578959 TCL: Center of mass = 49.4338390888 -1.38041058101 -3.7287496372 TCL: atom 1: phi = 0.815137758549 TCL: Center of mass = 49.4372674296 -1.38048940382 -3.72865882185 TCL: atom 1: phi = 0.815197977303 TCL: Center of mass = 49.440700696 -1.38056394281 -3.72857368356 TCL: atom 1: phi = 0.815149906716 TCL: Center of mass = 49.4441445027 -1.38064408732 -3.72849445978 TCL: atom 1: phi = 0.81528675562 TCL: Center of mass = 49.4475803553 -1.38072955078 -3.72841816655 TCL: atom 1: phi = 0.815321032869 TCL: Center of mass = 49.451010757 -1.38081075292 -3.72833726714 TCL: atom 1: phi = 0.815553961373 TCL: Center of mass = 49.4544559344 -1.38089388087 -3.72825939328 TCL: atom 1: phi = 0.815622200429 TCL: Center of mass = 49.4579136278 -1.38097478791 -3.72818241977 TCL: atom 1: phi = 0.815887902764 TCL: Center of mass = 49.4613724506 -1.38105979965 -3.7281113317 TCL: atom 1: phi = 0.815957476655 TCL: Center of mass = 49.4648373686 -1.38113683414 -3.72804337564 TCL: atom 1: phi = 0.816251203012 TCL: Center of mass = 49.468317921 -1.38121203477 -3.72797888872 TCL: atom 1: phi = 0.8164063964 TCL: Center of mass = 49.471799665 -1.38129026319 -3.72791960139 TCL: atom 1: phi = 0.816776365205 TCL: Center of mass = 49.4752853054 -1.38136344787 -3.72785833557 TCL: atom 1: phi = 0.817017337131 TCL: Center of mass = 49.4787698125 -1.38144477561 -3.72780519879 TCL: atom 1: phi = 0.817538834489 TCL: Center of mass = 49.4822472455 -1.38152472372 -3.72775431842 TCL: atom 1: phi = 0.817913045969 TCL: Center of mass = 49.4857244919 -1.38161009326 -3.72771115339 TCL: atom 1: phi = 0.818487652371 TCL: Center of mass = 49.4892074994 -1.3816804012 -3.72766884317 TCL: atom 1: phi = 0.818894507077 TCL: Center of mass = 49.4926902933 -1.38175071786 -3.72761671985 TCL: atom 1: phi = 0.819469364769 TCL: Center of mass = 49.4961848687 -1.38181783603 -3.72756403198 TCL: atom 1: phi = 0.81980661056 TCL: Center of mass = 49.499685901 -1.381899134 -3.7275225442 TCL: atom 1: phi = 0.8202434332 TCL: Center of mass = 49.5031718998 -1.38197140486 -3.72746668492 TCL: atom 1: phi = 0.820414706718 TCL: Center of mass = 49.5066583955 -1.38203431716 -3.72740301658 TCL: atom 1: phi = 0.820712878536 TIMING: 16700 CPU: 2867.15, 0.172354/step Wall: 3505.15, 0.210948/step, 0.193369 hours remaining, 22054 kB of memory in use. ENERGY: 16700 416.5798 684.6028 414.1795 42.1486 -2788.1098 -222.2222 0.0000 0.0000 1226.1946 -226.6268 334.1723 -217.5605 -218.6835 326.2827 372.7311 492.6101 64000.0000 831.1956 824.8120 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16700 WRITING COORDINATES TO DCD FILE AT STEP 16700 WRITING COORDINATES TO RESTART FILE AT STEP 16700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 49.5101375066 -1.3821022412 -3.7273382219 TCL: atom 1: phi = 0.820852545682 TCL: Center of mass = 49.5136119612 -1.38218347446 -3.72726463315 TCL: atom 1: phi = 0.82121268241 TCL: Center of mass = 49.51709031 -1.38225997842 -3.72717352132 TCL: atom 1: phi = 0.821476370183 TCL: Center of mass = 49.5205629907 -1.38234021502 -3.72709015429 TCL: atom 1: phi = 0.821985863612 TCL: Center of mass = 49.5240385464 -1.38242455753 -3.72700990822 TCL: atom 1: phi = 0.822332570932 TCL: Center of mass = 49.5275191116 -1.38250043101 -3.72692410975 TCL: atom 1: phi = 0.822918871797 TCL: Center of mass = 49.5310014163 -1.38257250392 -3.72684932193 TCL: atom 1: phi = 0.823309541509 TCL: Center of mass = 49.5344873099 -1.38263352451 -3.72677130211 TCL: atom 1: phi = 0.823897460741 TCL: Center of mass = 49.5379737664 -1.38269851656 -3.72670359068 TCL: atom 1: phi = 0.824237352836 TCL: Center of mass = 49.5414633804 -1.38276180724 -3.72663670207 TCL: atom 1: phi = 0.824807071924 TCL: Center of mass = 49.544955566 -1.38282505538 -3.72656117986 TCL: atom 1: phi = 0.825128420007 TCL: Center of mass = 49.5484407224 -1.3828926639 -3.72648134756 TCL: atom 1: phi = 0.825686532432 TCL: Center of mass = 49.5519323087 -1.38296752516 -3.72641097984 TCL: atom 1: phi = 0.826061839826 TCL: Center of mass = 49.555426602 -1.38305126842 -3.72632855318 TCL: atom 1: phi = 0.826710701434 TCL: Center of mass = 49.5589318949 -1.3831263673 -3.72624840672 TCL: atom 1: phi = 0.827093914624 TCL: Center of mass = 49.5624375302 -1.38320578968 -3.72615217993 TCL: atom 1: phi = 0.827711432 TCL: Center of mass = 49.5659424552 -1.38327614642 -3.72605402818 TCL: atom 1: phi = 0.827940580814 TCL: Center of mass = 49.5694383686 -1.38335286272 -3.72597110461 TCL: atom 1: phi = 0.828316737804 TCL: Center of mass = 49.572936948 -1.38343536764 -3.72589041682 TCL: atom 1: phi = 0.828270006687 TCL: Center of mass = 49.5764296995 -1.38352824662 -3.72581048815 TCL: atom 1: phi = 0.828305189163 TCL: Center of mass = 49.5799103674 -1.38362723797 -3.72573539128 TCL: atom 1: phi = 0.827953137074 TCL: Center of mass = 49.5833865231 -1.38370903247 -3.72567059314 TCL: atom 1: phi = 0.827795268786 TCL: Center of mass = 49.5868698074 -1.38379341121 -3.72560277541 TCL: atom 1: phi = 0.827355134304 TCL: Center of mass = 49.5903574875 -1.38387489286 -3.7255303869 TCL: atom 1: phi = 0.82721405509 TCL: Center of mass = 49.5938411339 -1.38395164279 -3.72546276626 TCL: atom 1: phi = 0.826829623222 TCL: Center of mass = 49.59731701 -1.38404267036 -3.72539694073 TCL: atom 1: phi = 0.826738983096 TCL: Center of mass = 49.6008015739 -1.3841312554 -3.72533611152 TCL: atom 1: phi = 0.82636355709 TCL: Center of mass = 49.6042835379 -1.38420189581 -3.72526985103 TCL: atom 1: phi = 0.826229046107 TCL: Center of mass = 49.6077634576 -1.38428010834 -3.7252073003 TCL: atom 1: phi = 0.825824406182 TCL: Center of mass = 49.6112445106 -1.38436113603 -3.72513781717 TCL: atom 1: phi = 0.825671729124 TCL: Center of mass = 49.6147250864 -1.38443948189 -3.72507683529 TCL: atom 1: phi = 0.825322062431 TCL: Center of mass = 49.6181975071 -1.38452385413 -3.72501327484 TCL: atom 1: phi = 0.825324405059 TCL: Center of mass = 49.6216674153 -1.38460370638 -3.72495438682 TCL: atom 1: phi = 0.82525674787 TCL: Center of mass = 49.6251228748 -1.38467617372 -3.72489830648 TCL: atom 1: phi = 0.825581972768 TCL: Center of mass = 49.6285802591 -1.38473750507 -3.72484170383 TCL: atom 1: phi = 0.825836262919 TCL: Center of mass = 49.6320207372 -1.38480076248 -3.72478937864 TCL: atom 1: phi = 0.826478253536 TCL: Center of mass = 49.6354627188 -1.38485425013 -3.72473601748 TCL: atom 1: phi = 0.827026368984 TCL: Center of mass = 49.6389034482 -1.38490631794 -3.72468557476 TCL: atom 1: phi = 0.827896780465 TCL: Center of mass = 49.6423536396 -1.38495608085 -3.72464236401 TCL: atom 1: phi = 0.828663940617 TCL: Center of mass = 49.6458063045 -1.38500747236 -3.72458403819 TCL: atom 1: phi = 0.82973366194 TCL: Center of mass = 49.6492632407 -1.38505801691 -3.72452530677 TCL: atom 1: phi = 0.83065929753 TCL: Center of mass = 49.6527212392 -1.38511518385 -3.72446033688 TCL: atom 1: phi = 0.831849040389 TCL: Center of mass = 49.6561728294 -1.38516800642 -3.72439365531 TCL: atom 1: phi = 0.832873063777 TCL: Center of mass = 49.659627359 -1.38521286127 -3.72432626107 TCL: atom 1: phi = 0.834226187184 TCL: Center of mass = 49.6630901537 -1.38526402681 -3.72426512915 TCL: atom 1: phi = 0.835416945266 TCL: Center of mass = 49.6665476892 -1.38530804071 -3.72420401698 TCL: atom 1: phi = 0.836842589985 TCL: Center of mass = 49.6699969762 -1.38536062125 -3.72414027561 TCL: atom 1: phi = 0.838009385318 TCL: Center of mass = 49.6734600624 -1.38541497795 -3.72407381312 TCL: atom 1: phi = 0.839314675053 TCL: Center of mass = 49.6769154266 -1.3854807717 -3.72401201844 TCL: atom 1: phi = 0.840164197075 TCL: Center of mass = 49.6803921093 -1.38555396042 -3.72394839041 TCL: atom 1: phi = 0.841060455649 TCL: Center of mass = 49.6838718216 -1.38563823778 -3.72388605848 TCL: atom 1: phi = 0.841451042246 TCL: Center of mass = 49.6873475806 -1.38572240878 -3.7238269972 TCL: atom 1: phi = 0.841875198853 TCL: Center of mass = 49.6908291881 -1.38580025158 -3.72377045229 TCL: atom 1: phi = 0.841821285517 TCL: Center of mass = 49.6943053783 -1.385881394 -3.72371379147 TCL: atom 1: phi = 0.841870386282 TCL: Center of mass = 49.6977784473 -1.38596271841 -3.72365104825 TCL: atom 1: phi = 0.841574561202 TCL: Center of mass = 49.7012440452 -1.38603861964 -3.72358828811 TCL: atom 1: phi = 0.841428950733 TCL: Center of mass = 49.7047043879 -1.38611554828 -3.72352566711 TCL: atom 1: phi = 0.840955515499 TCL: Center of mass = 49.7081624451 -1.3861759908 -3.72346036566 TCL: atom 1: phi = 0.840657559445 TCL: Center of mass = 49.7116227357 -1.38623618082 -3.72339702538 TCL: atom 1: phi = 0.839997461525 TCL: Center of mass = 49.7150859641 -1.3862897928 -3.72333831619 TCL: atom 1: phi = 0.839461439355 TCL: Center of mass = 49.718560748 -1.38633958257 -3.72329467956 TCL: atom 1: phi = 0.838601045131 TCL: Center of mass = 49.7220225183 -1.38640314729 -3.72324714687 TCL: atom 1: phi = 0.837914000566 TCL: Center of mass = 49.7254892019 -1.38647183451 -3.72318700686 TCL: atom 1: phi = 0.837037650293 TCL: Center of mass = 49.7289711556 -1.38654417025 -3.72313644547 TCL: atom 1: phi = 0.836407614313 TCL: Center of mass = 49.732459858 -1.38662110083 -3.72308687041 TCL: atom 1: phi = 0.835651549338 TCL: Center of mass = 49.7359563402 -1.38670026404 -3.72303919216 TCL: atom 1: phi = 0.835192074092 TCL: Center of mass = 49.7394505785 -1.3867738546 -3.72299076352 TCL: atom 1: phi = 0.834667889771 TCL: Center of mass = 49.7429382272 -1.38684899977 -3.72294347064 TCL: atom 1: phi = 0.834432698939 TCL: Center of mass = 49.7464240824 -1.38692381353 -3.72290101565 TCL: atom 1: phi = 0.834035193722 TCL: Center of mass = 49.7499027187 -1.38701822981 -3.72285745135 TCL: atom 1: phi = 0.833856167652 TCL: Center of mass = 49.7533773568 -1.38711523285 -3.7228076996 TCL: atom 1: phi = 0.833528186701 TCL: Center of mass = 49.7568583298 -1.38721433433 -3.72276797793 TCL: atom 1: phi = 0.833421180433 TCL: Center of mass = 49.7603503782 -1.38730663414 -3.72272182637 TCL: atom 1: phi = 0.833270623823 TCL: Center of mass = 49.7638448273 -1.38739781819 -3.72267396003 TCL: atom 1: phi = 0.833375335067 TCL: Center of mass = 49.7673318286 -1.387486832 -3.72263140842 TCL: atom 1: phi = 0.833444986688 TCL: Center of mass = 49.7708269952 -1.38757160344 -3.72258693014 TCL: atom 1: phi = 0.833860889283 TCL: Center of mass = 49.7743264043 -1.38766865481 -3.72253952877 TCL: atom 1: phi = 0.834219969649 TCL: Center of mass = 49.7778157848 -1.38777177664 -3.72248318745 TCL: atom 1: phi = 0.834912685363 TCL: Center of mass = 49.7813085357 -1.3878730201 -3.72241940881 TCL: atom 1: phi = 0.835473404883 TCL: Center of mass = 49.7848035494 -1.38796942465 -3.72235227901 TCL: atom 1: phi = 0.836203126128 TCL: Center of mass = 49.7883019198 -1.38806717683 -3.72229343655 TCL: atom 1: phi = 0.836718158813 TCL: Center of mass = 49.7918086202 -1.38816512106 -3.7222378313 TCL: atom 1: phi = 0.83741760603 TCL: Center of mass = 49.7953240325 -1.38826684095 -3.72217444513 TCL: atom 1: phi = 0.837898599994 TCL: Center of mass = 49.7988334043 -1.38836914669 -3.7221051332 TCL: atom 1: phi = 0.838585353034 TCL: Center of mass = 49.8023311674 -1.38846178067 -3.7220419822 TCL: atom 1: phi = 0.839057112627 TCL: Center of mass = 49.8058181735 -1.38854048341 -3.72197307981 TCL: atom 1: phi = 0.839731708759 TCL: Center of mass = 49.8093041006 -1.38862023141 -3.72189075786 TCL: atom 1: phi = 0.840166363996 TCL: Center of mass = 49.8127891073 -1.38869215335 -3.72181601177 TCL: atom 1: phi = 0.840766955911 TCL: Center of mass = 49.8162849331 -1.38876518083 -3.72174086553 TCL: atom 1: phi = 0.840991176578 TCL: Center of mass = 49.8197696164 -1.38883610197 -3.72167033808 TCL: atom 1: phi = 0.84128068061 TCL: Center of mass = 49.8232464669 -1.38891012132 -3.72161046507 TCL: atom 1: phi = 0.841161924852 TCL: Center of mass = 49.8267231919 -1.3889986221 -3.72154512524 TCL: atom 1: phi = 0.841096813627 TCL: Center of mass = 49.8301900364 -1.38908193571 -3.72148163795 TCL: atom 1: phi = 0.840583367665 TCL: Center of mass = 49.8336605301 -1.38917276542 -3.72141614463 TCL: atom 1: phi = 0.840212924872 TCL: Center of mass = 49.8371184042 -1.38925974414 -3.72134396201 TCL: atom 1: phi = 0.839514430141 TCL: Center of mass = 49.8405692871 -1.38934263666 -3.72126496719 TCL: atom 1: phi = 0.839004195758 TCL: Center of mass = 49.8440200649 -1.3894194618 -3.72118358598 TCL: atom 1: phi = 0.83829573018 TCL: Center of mass = 49.847471707 -1.38950337284 -3.72111942927 TCL: atom 1: phi = 0.837738989775 TCL: Center of mass = 49.8509146322 -1.389583428 -3.72105535515 TCL: atom 1: phi = 0.836968439946 TCL: Center of mass = 49.854354964 -1.38966212385 -3.720985078 TCL: atom 1: phi = 0.836348121687 TIMING: 16800 CPU: 2884.42, 0.172664/step Wall: 3526.29, 0.211406/step, 0.187916 hours remaining, 22054 kB of memory in use. ENERGY: 16800 399.8525 722.8995 422.4175 49.6527 -2779.8558 -208.0814 0.0000 0.0000 1169.7659 -223.3491 318.7939 -214.3433 -214.9462 327.3140 1128.4652 1257.4124 64000.0000 1266.9927 1268.4550 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16800 WRITING COORDINATES TO DCD FILE AT STEP 16800 WRITING COORDINATES TO RESTART FILE AT STEP 16800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 49.8578008726 -1.38973495552 -3.72091260588 TCL: atom 1: phi = 0.835485166304 TCL: Center of mass = 49.8612442298 -1.38981277161 -3.72085277679 TCL: atom 1: phi = 0.834788801387 TCL: Center of mass = 49.8646850909 -1.38989621108 -3.72079134148 TCL: atom 1: phi = 0.833929836734 TCL: Center of mass = 49.8681172066 -1.38997237776 -3.72072218907 TCL: atom 1: phi = 0.833286548546 TCL: Center of mass = 49.8715605316 -1.39004822817 -3.72065899222 TCL: atom 1: phi = 0.832554489452 TCL: Center of mass = 49.8749978875 -1.3901207653 -3.72059509195 TCL: atom 1: phi = 0.832125444021 TCL: Center of mass = 49.878432759 -1.39019104056 -3.72053460423 TCL: atom 1: phi = 0.831704901737 TCL: Center of mass = 49.8818796974 -1.39025796448 -3.7204729078 TCL: atom 1: phi = 0.831647528432 TCL: Center of mass = 49.885337695 -1.39030789233 -3.72040204088 TCL: atom 1: phi = 0.831590216682 TCL: Center of mass = 49.8887828179 -1.39036655665 -3.72032662925 TCL: atom 1: phi = 0.831866302159 TCL: Center of mass = 49.8922327993 -1.39042163913 -3.72025857244 TCL: atom 1: phi = 0.8320988687 TCL: Center of mass = 49.8956881749 -1.39047001791 -3.72018564666 TCL: atom 1: phi = 0.832561388052 TCL: Center of mass = 49.8991334257 -1.39050891406 -3.72011155136 TCL: atom 1: phi = 0.832920019739 TCL: Center of mass = 49.9025771267 -1.39055474859 -3.72004102414 TCL: atom 1: phi = 0.833497883012 TCL: Center of mass = 49.9060205731 -1.39059173524 -3.71997314975 TCL: atom 1: phi = 0.833966932275 TCL: Center of mass = 49.9094523978 -1.39062784604 -3.71990049199 TCL: atom 1: phi = 0.834758850627 TCL: Center of mass = 49.9128713033 -1.39067235127 -3.71983031205 TCL: atom 1: phi = 0.835453818745 TCL: Center of mass = 49.9162829016 -1.39071674891 -3.71976287425 TCL: atom 1: phi = 0.836434859106 TCL: Center of mass = 49.9196949369 -1.39075102921 -3.71969314591 TCL: atom 1: phi = 0.837282932653 TCL: Center of mass = 49.9231160799 -1.39078894761 -3.71961846391 TCL: atom 1: phi = 0.838357632583 TCL: Center of mass = 49.9265404224 -1.39083806935 -3.7195443441 TCL: atom 1: phi = 0.839199950749 TCL: Center of mass = 49.9299810187 -1.39086807764 -3.71946673189 TCL: atom 1: phi = 0.840217291861 TCL: Center of mass = 49.9334257581 -1.39089700878 -3.71938304317 TCL: atom 1: phi = 0.840949058844 TCL: Center of mass = 49.9368681462 -1.39093145838 -3.71929011205 TCL: atom 1: phi = 0.841766968606 TCL: Center of mass = 49.9403119202 -1.39094121443 -3.71919608998 TCL: atom 1: phi = 0.842287091963 TCL: Center of mass = 49.9437599096 -1.39094693072 -3.71910645593 TCL: atom 1: phi = 0.842922475642 TCL: Center of mass = 49.947214368 -1.39095981264 -3.71901606511 TCL: atom 1: phi = 0.843328939672 TCL: Center of mass = 49.9506699222 -1.39097521613 -3.71893482188 TCL: atom 1: phi = 0.843932117781 TCL: Center of mass = 49.9541270272 -1.39099301675 -3.71885614174 TCL: atom 1: phi = 0.844307560946 TCL: Center of mass = 49.9575740063 -1.39101879977 -3.71878438914 TCL: atom 1: phi = 0.844825957736 TCL: Center of mass = 49.9610228888 -1.39104479014 -3.71870631084 TCL: atom 1: phi = 0.845061018889 TCL: Center of mass = 49.9644803908 -1.39106943249 -3.71862474342 TCL: atom 1: phi = 0.845384225966 TCL: Center of mass = 49.967945001 -1.39108616095 -3.71854915452 TCL: atom 1: phi = 0.845398185121 TCL: Center of mass = 49.971410818 -1.39110973599 -3.71847463823 TCL: atom 1: phi = 0.84544592469 TCL: Center of mass = 49.9748814585 -1.39113453569 -3.71839753226 TCL: atom 1: phi = 0.845219879772 TCL: Center of mass = 49.9783716616 -1.39115741586 -3.71832063594 TCL: atom 1: phi = 0.84512608756 TCL: Center of mass = 49.9818597196 -1.3911790454 -3.71825008772 TCL: atom 1: phi = 0.844823909153 TCL: Center of mass = 49.9853376797 -1.39119931051 -3.71817411323 TCL: atom 1: phi = 0.84477727923 TCL: Center of mass = 49.9888189439 -1.3912246722 -3.71809728244 TCL: atom 1: phi = 0.844613873589 TCL: Center of mass = 49.9923131161 -1.39126032782 -3.71801908135 TCL: atom 1: phi = 0.844744317031 TCL: Center of mass = 49.9958099939 -1.39130040123 -3.71793777518 TCL: atom 1: phi = 0.844769250908 TCL: Center of mass = 49.9993132078 -1.39134120291 -3.71786362334 TCL: atom 1: phi = 0.845061740964 TCL: Center of mass = 50.0028217623 -1.39137321357 -3.71779690805 TCL: atom 1: phi = 0.845185148746 TCL: Center of mass = 50.0063145866 -1.39140009411 -3.71771890957 TCL: atom 1: phi = 0.845527618535 TCL: Center of mass = 50.0098057925 -1.39142618149 -3.71764232191 TCL: atom 1: phi = 0.845761752268 TCL: Center of mass = 50.0132941791 -1.39145105943 -3.71757289579 TCL: atom 1: phi = 0.846268485293 TCL: Center of mass = 50.0167992784 -1.39147257681 -3.7175112776 TCL: atom 1: phi = 0.846732020766 TCL: Center of mass = 50.0203067945 -1.39148221374 -3.71745352282 TCL: atom 1: phi = 0.847520291209 TCL: Center of mass = 50.0238198604 -1.39149678954 -3.7174017664 TCL: atom 1: phi = 0.848295449869 TCL: Center of mass = 50.0273326006 -1.39150749159 -3.71735284126 TCL: atom 1: phi = 0.849364814536 TCL: Center of mass = 50.0308580114 -1.39152824597 -3.71730876567 TCL: atom 1: phi = 0.850331185987 TCL: Center of mass = 50.0343752291 -1.39154948541 -3.71726042935 TCL: atom 1: phi = 0.851511889477 TCL: Center of mass = 50.0378853233 -1.39156867126 -3.71720946204 TCL: atom 1: phi = 0.852459169888 TCL: Center of mass = 50.0413852303 -1.39159907307 -3.7171604924 TCL: atom 1: phi = 0.853548989065 TCL: Center of mass = 50.0448787993 -1.39163331521 -3.71711440732 TCL: atom 1: phi = 0.854351367879 TCL: Center of mass = 50.0483802076 -1.39166824345 -3.71707604418 TCL: atom 1: phi = 0.855327624901 TCL: Center of mass = 50.0518870307 -1.39171628563 -3.71704680565 TCL: atom 1: phi = 0.856025406988 TCL: Center of mass = 50.0553826526 -1.39175982638 -3.71702355752 TCL: atom 1: phi = 0.856930735828 TCL: Center of mass = 50.058867895 -1.39180831471 -3.71700654771 TCL: atom 1: phi = 0.857582602545 TCL: Center of mass = 50.0623486064 -1.39185536679 -3.71699194942 TCL: atom 1: phi = 0.858456224725 TCL: Center of mass = 50.0658324497 -1.39190008903 -3.71696920525 TCL: atom 1: phi = 0.859072980856 TCL: Center of mass = 50.0693256553 -1.39195765307 -3.71694486669 TCL: atom 1: phi = 0.859894735402 TCL: Center of mass = 50.072821792 -1.39201665191 -3.71692233346 TCL: atom 1: phi = 0.860383620374 TCL: Center of mass = 50.0763248784 -1.39207588304 -3.71689763133 TCL: atom 1: phi = 0.861032122308 TCL: Center of mass = 50.0798312941 -1.39213495312 -3.7168823851 TCL: atom 1: phi = 0.861314067845 TCL: Center of mass = 50.0833312653 -1.39219938032 -3.71686805787 TCL: atom 1: phi = 0.861810671874 TCL: Center of mass = 50.086843209 -1.3922700476 -3.71684912434 TCL: atom 1: phi = 0.862043191117 TCL: Center of mass = 50.0903546507 -1.39232837105 -3.71683140964 TCL: atom 1: phi = 0.862546759398 TCL: Center of mass = 50.0938750024 -1.39238082837 -3.71681747718 TCL: atom 1: phi = 0.862762135489 TCL: Center of mass = 50.0973986417 -1.39243205161 -3.71680064545 TCL: atom 1: phi = 0.863212865961 TCL: Center of mass = 50.1009191501 -1.39247755775 -3.71677913561 TCL: atom 1: phi = 0.86333269578 TCL: Center of mass = 50.1044502659 -1.39252713868 -3.7167540132 TCL: atom 1: phi = 0.863669860829 TCL: Center of mass = 50.1079895978 -1.39257710788 -3.71672765836 TCL: atom 1: phi = 0.863585461608 TCL: Center of mass = 50.1115329558 -1.39262165658 -3.71670541252 TCL: atom 1: phi = 0.863623267508 TCL: Center of mass = 50.1150682319 -1.39267818136 -3.71668028088 TCL: atom 1: phi = 0.863328643015 TCL: Center of mass = 50.1186014484 -1.39272517352 -3.71665466421 TCL: atom 1: phi = 0.863255224505 TCL: Center of mass = 50.1221301376 -1.39277835404 -3.71662462058 TCL: atom 1: phi = 0.862866375579 TCL: Center of mass = 50.1256718648 -1.39282983417 -3.71659160245 TCL: atom 1: phi = 0.862755569967 TCL: Center of mass = 50.1292346254 -1.39288217794 -3.71654825919 TCL: atom 1: phi = 0.862482136764 TCL: Center of mass = 50.1327982669 -1.39292158424 -3.71650291413 TCL: atom 1: phi = 0.86251188001 TCL: Center of mass = 50.1363654184 -1.39296401233 -3.71646106024 TCL: atom 1: phi = 0.862360560215 TCL: Center of mass = 50.1399293257 -1.39299203621 -3.71642033502 TCL: atom 1: phi = 0.86247668846 TCL: Center of mass = 50.1434995576 -1.39303336809 -3.71638377122 TCL: atom 1: phi = 0.862348485954 TCL: Center of mass = 50.1470707435 -1.39305662123 -3.71634339399 TCL: atom 1: phi = 0.86242311313 TCL: Center of mass = 50.1506394041 -1.39306892324 -3.71630440421 TCL: atom 1: phi = 0.862168450547 TCL: Center of mass = 50.1541950272 -1.39308149944 -3.71626003994 TCL: atom 1: phi = 0.862084023664 TCL: Center of mass = 50.1577547082 -1.39310554758 -3.71623095138 TCL: atom 1: phi = 0.861720443176 TCL: Center of mass = 50.1613072786 -1.39314037091 -3.71621314791 TCL: atom 1: phi = 0.861565771254 TCL: Center of mass = 50.1648671233 -1.39318534744 -3.71621304783 TCL: atom 1: phi = 0.861183241266 TCL: Center of mass = 50.168421519 -1.39322218002 -3.71621435532 TCL: atom 1: phi = 0.861011926742 TCL: Center of mass = 50.1719751155 -1.39326351507 -3.71623359266 TCL: atom 1: phi = 0.86059816645 TCL: Center of mass = 50.1755365571 -1.39331575158 -3.71626242523 TCL: atom 1: phi = 0.860308369912 TCL: Center of mass = 50.1791063252 -1.3933710412 -3.7162913708 TCL: atom 1: phi = 0.85967341093 TCL: Center of mass = 50.1826725757 -1.39342427423 -3.71632177175 TCL: atom 1: phi = 0.859109228771 TCL: Center of mass = 50.1862415075 -1.39347484481 -3.71634757187 TCL: atom 1: phi = 0.858203731662 TCL: Center of mass = 50.1898117211 -1.39352599925 -3.71636895972 TCL: atom 1: phi = 0.857356738948 TCL: Center of mass = 50.1933742404 -1.39357847456 -3.71638376974 TCL: atom 1: phi = 0.856205922952 TCL: Center of mass = 50.1969441914 -1.3936445001 -3.7163972819 TCL: atom 1: phi = 0.85514716125 TCL: Center of mass = 50.2005133277 -1.39370917227 -3.7164201954 TCL: atom 1: phi = 0.853930889549 TCL: Center of mass = 50.2041012152 -1.39377165693 -3.7164455316 TCL: atom 1: phi = 0.85294629358 TIMING: 16900 CPU: 2901.65, 0.172304/step Wall: 3547.38, 0.210942/step, 0.181644 hours remaining, 22054 kB of memory in use. ENERGY: 16900 420.7633 700.1022 417.1215 52.5284 -2770.6519 -230.1164 0.0000 0.0000 1198.1714 -212.0816 326.5352 -203.3620 -203.3690 328.2081 1055.6812 792.5982 64000.0000 899.5850 894.4483 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 16900 WRITING COORDINATES TO DCD FILE AT STEP 16900 WRITING COORDINATES TO RESTART FILE AT STEP 16900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 16900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 50.2076981237 -1.39383414652 -3.71646238512 TCL: atom 1: phi = 0.851876988454 TCL: Center of mass = 50.2112985839 -1.39390168972 -3.71647361503 TCL: atom 1: phi = 0.851103557297 TCL: Center of mass = 50.2148947563 -1.39396855482 -3.71648680419 TCL: atom 1: phi = 0.850341521365 TCL: Center of mass = 50.2184900118 -1.39403753689 -3.71650593603 TCL: atom 1: phi = 0.8498002403 TCL: Center of mass = 50.2220856284 -1.39410111981 -3.71653766075 TCL: atom 1: phi = 0.849165942404 TCL: Center of mass = 50.2256773203 -1.39415440666 -3.71656053036 TCL: atom 1: phi = 0.848795127578 TCL: Center of mass = 50.2292677057 -1.39420851193 -3.71659130683 TCL: atom 1: phi = 0.848419721038 TCL: Center of mass = 50.232864395 -1.39427783914 -3.7166135763 TCL: atom 1: phi = 0.84833599614 TCL: Center of mass = 50.2364672321 -1.39435105856 -3.7166284193 TCL: atom 1: phi = 0.848244068618 TCL: Center of mass = 50.2400531703 -1.39442508926 -3.71663910257 TCL: atom 1: phi = 0.84846692868 TCL: Center of mass = 50.2436410406 -1.39450747469 -3.71665971739 TCL: atom 1: phi = 0.848692458287 TCL: Center of mass = 50.2472363365 -1.39460199592 -3.71668300603 TCL: atom 1: phi = 0.849152342728 TCL: Center of mass = 50.2508221336 -1.39470471197 -3.71669367408 TCL: atom 1: phi = 0.849480676701 TCL: Center of mass = 50.254402175 -1.39481724932 -3.71671480745 TCL: atom 1: phi = 0.849955578894 TCL: Center of mass = 50.2579849758 -1.39493913832 -3.71673330199 TCL: atom 1: phi = 0.850181341286 TCL: Center of mass = 50.2615582194 -1.39505849205 -3.71674624169 TCL: atom 1: phi = 0.850495682623 TCL: Center of mass = 50.2651384651 -1.39518738736 -3.716754311 TCL: atom 1: phi = 0.850544225318 TCL: Center of mass = 50.2687229761 -1.39532708115 -3.71676284239 TCL: atom 1: phi = 0.85064914698 TCL: Center of mass = 50.2723143814 -1.39547032997 -3.71677223462 TCL: atom 1: phi = 0.850491050242 TCL: Center of mass = 50.2759094951 -1.39562278251 -3.71676222939 TCL: atom 1: phi = 0.850554660649 TCL: Center of mass = 50.2795118748 -1.39578305908 -3.71674072633 TCL: atom 1: phi = 0.850509565111 TCL: Center of mass = 50.2831228782 -1.39593536682 -3.71671419422 TCL: atom 1: phi = 0.850735823089 TCL: Center of mass = 50.2867329063 -1.39608417611 -3.71668283231 TCL: atom 1: phi = 0.850810832243 TCL: Center of mass = 50.2903569857 -1.39624140651 -3.71665152276 TCL: atom 1: phi = 0.851120994749 TCL: Center of mass = 50.2939797111 -1.39640661202 -3.71661755406 TCL: atom 1: phi = 0.851235828583 TCL: Center of mass = 50.2976055983 -1.3965817105 -3.71658325178 TCL: atom 1: phi = 0.851529036678 TCL: Center of mass = 50.301228064 -1.39677048661 -3.71654652486 TCL: atom 1: phi = 0.851551383955 TCL: Center of mass = 50.3048491262 -1.39695875491 -3.71649622189 TCL: atom 1: phi = 0.851763797045 TCL: Center of mass = 50.3084672576 -1.39713468613 -3.71644448415 TCL: atom 1: phi = 0.851873181978 TCL: Center of mass = 50.3120887304 -1.3973197749 -3.71639193876 TCL: atom 1: phi = 0.852298362022 TCL: Center of mass = 50.3157107737 -1.39752684075 -3.71634290595 TCL: atom 1: phi = 0.85259403717 TCL: Center of mass = 50.3193299733 -1.39773143716 -3.71628871164 TCL: atom 1: phi = 0.853181350061 TCL: Center of mass = 50.3229428809 -1.39793823712 -3.71624366326 TCL: atom 1: phi = 0.853678241458 TCL: Center of mass = 50.3265542833 -1.3981485276 -3.71620919622 TCL: atom 1: phi = 0.854421805552 TCL: Center of mass = 50.3301682951 -1.39835116918 -3.71618001099 TCL: atom 1: phi = 0.854986731089 TCL: Center of mass = 50.3337789417 -1.3985581341 -3.71615904732 TCL: atom 1: phi = 0.85577507906 TCL: Center of mass = 50.3373839578 -1.39876194024 -3.716132897 TCL: atom 1: phi = 0.856336280926 TCL: Center of mass = 50.3409906292 -1.39897362202 -3.71609400808 TCL: atom 1: phi = 0.857075016411 TCL: Center of mass = 50.3445947482 -1.39919223119 -3.71606542838 TCL: atom 1: phi = 0.857601202038 TCL: Center of mass = 50.3481977289 -1.39941276384 -3.71603443412 TCL: atom 1: phi = 0.858372142461 TCL: Center of mass = 50.3518019121 -1.39962581529 -3.71600544547 TCL: atom 1: phi = 0.858949121739 TCL: Center of mass = 50.3554027624 -1.39982311085 -3.71597004835 TCL: atom 1: phi = 0.859800844073 TCL: Center of mass = 50.359002955 -1.40001958511 -3.71593387976 TCL: atom 1: phi = 0.860468322419 TCL: Center of mass = 50.3626060499 -1.40021842105 -3.71588798907 TCL: atom 1: phi = 0.861375606538 TCL: Center of mass = 50.3661997513 -1.40041578888 -3.71584858986 TCL: atom 1: phi = 0.862064305608 TCL: Center of mass = 50.3697855482 -1.40061019044 -3.71580659554 TCL: atom 1: phi = 0.86288227053 TCL: Center of mass = 50.3733752631 -1.40079911352 -3.71575889332 TCL: atom 1: phi = 0.86342146445 TCL: Center of mass = 50.3769588444 -1.40097194997 -3.71570443741 TCL: atom 1: phi = 0.864005821384 TCL: Center of mass = 50.3805583361 -1.4011478609 -3.71564784839 TCL: atom 1: phi = 0.86437723642 TCL: Center of mass = 50.3841535251 -1.40132758201 -3.71559132627 TCL: atom 1: phi = 0.864838079834 TCL: Center of mass = 50.3877379374 -1.40149831955 -3.71552592983 TCL: atom 1: phi = 0.865066693234 TCL: Center of mass = 50.391317774 -1.40167541248 -3.71546087232 TCL: atom 1: phi = 0.865512637805 TCL: Center of mass = 50.3948933401 -1.40185660598 -3.71538337658 TCL: atom 1: phi = 0.865794082812 TCL: Center of mass = 50.398470611 -1.40203388208 -3.71530961262 TCL: atom 1: phi = 0.866214685075 TCL: Center of mass = 50.4020520939 -1.40220459679 -3.71524493558 TCL: atom 1: phi = 0.86641760481 TCL: Center of mass = 50.4056323982 -1.40236885493 -3.71517294245 TCL: atom 1: phi = 0.866690304966 TCL: Center of mass = 50.4092104254 -1.40253606531 -3.71509346725 TCL: atom 1: phi = 0.866677729742 TCL: Center of mass = 50.4127907846 -1.40270754195 -3.7150055783 TCL: atom 1: phi = 0.866732390014 TCL: Center of mass = 50.4163763804 -1.40287979024 -3.71491765831 TCL: atom 1: phi = 0.866623274453 TCL: Center of mass = 50.4199669931 -1.40306693009 -3.71482317354 TCL: atom 1: phi = 0.866711649471 TCL: Center of mass = 50.4235507015 -1.40326344491 -3.71472604728 TCL: atom 1: phi = 0.866652855163 TCL: Center of mass = 50.4271348344 -1.4034587367 -3.71462249431 TCL: atom 1: phi = 0.866782103183 TCL: Center of mass = 50.4307314182 -1.40365367325 -3.71452714595 TCL: atom 1: phi = 0.866872222212 TCL: Center of mass = 50.434329332 -1.40385337403 -3.71443693107 TCL: atom 1: phi = 0.867244607505 TCL: Center of mass = 50.4379391374 -1.40406173855 -3.71435499719 TCL: atom 1: phi = 0.867580347455 TCL: Center of mass = 50.4415532676 -1.40428166781 -3.71426426054 TCL: atom 1: phi = 0.868154693964 TCL: Center of mass = 50.4451698568 -1.40450984021 -3.71417019296 TCL: atom 1: phi = 0.868667319084 TCL: Center of mass = 50.4487831705 -1.4047296577 -3.71407560287 TCL: atom 1: phi = 0.869396259101 TCL: Center of mass = 50.4524025607 -1.40495197039 -3.71398470567 TCL: atom 1: phi = 0.870027771421 TCL: Center of mass = 50.4560201585 -1.40516975489 -3.71389551138 TCL: atom 1: phi = 0.870882094227 TCL: Center of mass = 50.4596236683 -1.40537667497 -3.71379905346 TCL: atom 1: phi = 0.871652725282 TCL: Center of mass = 50.4632239896 -1.40558806965 -3.71370236151 TCL: atom 1: phi = 0.87269101428 TCL: Center of mass = 50.4668265867 -1.40580112302 -3.71361258501 TCL: atom 1: phi = 0.873630967327 TCL: Center of mass = 50.4704323695 -1.40602273486 -3.71352712121 TCL: atom 1: phi = 0.874794922563 TCL: Center of mass = 50.4740429729 -1.40624688249 -3.7134427849 TCL: atom 1: phi = 0.875809035341 TCL: Center of mass = 50.47764632 -1.40648593748 -3.71336417179 TCL: atom 1: phi = 0.876987751076 TCL: Center of mass = 50.4812483882 -1.40672493862 -3.71327395583 TCL: atom 1: phi = 0.877943586461 TCL: Center of mass = 50.484846166 -1.40696523688 -3.713173533 TCL: atom 1: phi = 0.878988478559 TCL: Center of mass = 50.4884495525 -1.40720970494 -3.71308529335 TCL: atom 1: phi = 0.879788455957 TCL: Center of mass = 50.4920564329 -1.40745082203 -3.71299437131 TCL: atom 1: phi = 0.880713548506 TCL: Center of mass = 50.4956691157 -1.40769177819 -3.71291265096 TCL: atom 1: phi = 0.881341365668 TCL: Center of mass = 50.499271266 -1.40792720017 -3.71283261923 TCL: atom 1: phi = 0.88217121824 TCL: Center of mass = 50.5028543317 -1.40816044888 -3.71276741531 TCL: atom 1: phi = 0.882808058387 TCL: Center of mass = 50.5064354801 -1.40839808961 -3.7127076196 TCL: atom 1: phi = 0.883631444393 TCL: Center of mass = 50.5100074312 -1.40863494996 -3.71263854607 TCL: atom 1: phi = 0.884245115929 TCL: Center of mass = 50.5135795909 -1.40887838432 -3.71256698281 TCL: atom 1: phi = 0.884978824871 TCL: Center of mass = 50.5171609343 -1.40912068276 -3.71249950533 TCL: atom 1: phi = 0.885441508739 TCL: Center of mass = 50.5207376475 -1.40936557945 -3.71242768476 TCL: atom 1: phi = 0.88603950934 TCL: Center of mass = 50.5243014787 -1.40960757409 -3.71235029269 TCL: atom 1: phi = 0.886322227829 TCL: Center of mass = 50.5278557726 -1.40985930676 -3.71228014925 TCL: atom 1: phi = 0.886732494779 TCL: Center of mass = 50.5314262878 -1.41010704048 -3.71219910973 TCL: atom 1: phi = 0.886810147129 TCL: Center of mass = 50.5349907664 -1.41035923186 -3.71211269436 TCL: atom 1: phi = 0.887060484123 TCL: Center of mass = 50.5385673757 -1.4106205232 -3.71202351616 TCL: atom 1: phi = 0.886980419542 TCL: Center of mass = 50.5421533702 -1.41089006514 -3.71191738192 TCL: atom 1: phi = 0.887036365594 TCL: Center of mass = 50.545730738 -1.41116074621 -3.71181038015 TCL: atom 1: phi = 0.886702171793 TCL: Center of mass = 50.5493065106 -1.41143367802 -3.71170396564 TCL: atom 1: phi = 0.886445720716 TCL: Center of mass = 50.5528831237 -1.41170944966 -3.7115997589 TCL: atom 1: phi = 0.885738920823 TCL: Center of mass = 50.5564535068 -1.41198320122 -3.71150946993 TCL: atom 1: phi = 0.885115552467 TCL: Center of mass = 50.5600266308 -1.41226231465 -3.71142303286 TCL: atom 1: phi = 0.884069795713 TCL: Center of mass = 50.5636031202 -1.41252997875 -3.71133902847 TCL: atom 1: phi = 0.88320101789 TIMING: 17000 CPU: 2918.88, 0.172264/step Wall: 3568.48, 0.210997/step, 0.175831 hours remaining, 22054 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 17000 411.6262 689.5843 413.2451 45.0982 -2777.8303 -190.9386 0.0000 0.0000 1210.1099 -199.1050 329.7888 -190.1344 -191.1094 331.6767 2046.1524 1846.4192 64000.0000 1342.0070 1345.0603 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17000 WRITING COORDINATES TO DCD FILE AT STEP 17000 WRITING COORDINATES TO RESTART FILE AT STEP 17000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 50.5671812108 -1.41279807817 -3.71124617457 TCL: atom 1: phi = 0.881965979449 TCL: Center of mass = 50.5707509015 -1.41306956308 -3.71115378935 TCL: atom 1: phi = 0.880936174216 TCL: Center of mass = 50.574329513 -1.41333826889 -3.71107670396 TCL: atom 1: phi = 0.879706690919 TCL: Center of mass = 50.5779163711 -1.41360576601 -3.71098652325 TCL: atom 1: phi = 0.878781488097 TCL: Center of mass = 50.5814997944 -1.41387220718 -3.71090422231 TCL: atom 1: phi = 0.877731353782 TCL: Center of mass = 50.5850925446 -1.41414274514 -3.71082634519 TCL: atom 1: phi = 0.877120670215 TCL: Center of mass = 50.5886759972 -1.4144137478 -3.71073867945 TCL: atom 1: phi = 0.876415122139 TCL: Center of mass = 50.5922587247 -1.41469685789 -3.71065190416 TCL: atom 1: phi = 0.876110713621 TCL: Center of mass = 50.5958455204 -1.41498389806 -3.71056473451 TCL: atom 1: phi = 0.875688482612 TCL: Center of mass = 50.5994294077 -1.41527724973 -3.71048260301 TCL: atom 1: phi = 0.875612588626 TCL: Center of mass = 50.6030193344 -1.41558604029 -3.71039249011 TCL: atom 1: phi = 0.875374283635 TCL: Center of mass = 50.6066092304 -1.41588697327 -3.71030038361 TCL: atom 1: phi = 0.875466471057 TCL: Center of mass = 50.6102015806 -1.41617783626 -3.71020278991 TCL: atom 1: phi = 0.875442026846 TCL: Center of mass = 50.6138025858 -1.41646304138 -3.71012062774 TCL: atom 1: phi = 0.875787154289 TCL: Center of mass = 50.6174033576 -1.41674836433 -3.71004160977 TCL: atom 1: phi = 0.875949174647 TCL: Center of mass = 50.6210070386 -1.41703458472 -3.70996107467 TCL: atom 1: phi = 0.876354007635 TCL: Center of mass = 50.6246212478 -1.41732113188 -3.70987508067 TCL: atom 1: phi = 0.876478158207 TCL: Center of mass = 50.6282326121 -1.41759510691 -3.7097757364 TCL: atom 1: phi = 0.876793587688 TCL: Center of mass = 50.6318470546 -1.41787382995 -3.70966870153 TCL: atom 1: phi = 0.876818072258 TCL: Center of mass = 50.6354582635 -1.4181507997 -3.70957498539 TCL: atom 1: phi = 0.876896984155 TCL: Center of mass = 50.6390736062 -1.41842941501 -3.70947529892 TCL: atom 1: phi = 0.876690668028 TCL: Center of mass = 50.6426964246 -1.41870282887 -3.70937395079 TCL: atom 1: phi = 0.876697861422 TCL: Center of mass = 50.6463234301 -1.41897280023 -3.70927830448 TCL: atom 1: phi = 0.876475315116 TCL: Center of mass = 50.6499534103 -1.41924908491 -3.70917310394 TCL: atom 1: phi = 0.876519857235 TCL: Center of mass = 50.6535922805 -1.41953000153 -3.70906846904 TCL: atom 1: phi = 0.876406775296 TCL: Center of mass = 50.6572282378 -1.41981303666 -3.70896738354 TCL: atom 1: phi = 0.876588290057 TCL: Center of mass = 50.6608626739 -1.42009803094 -3.70886743484 TCL: atom 1: phi = 0.876627736552 TCL: Center of mass = 50.6644956961 -1.42037959022 -3.70875301663 TCL: atom 1: phi = 0.876987695055 TCL: Center of mass = 50.6681304936 -1.42067043301 -3.70863312202 TCL: atom 1: phi = 0.87714826704 TCL: Center of mass = 50.67176204 -1.42095960887 -3.7085129964 TCL: atom 1: phi = 0.877593883936 TCL: Center of mass = 50.6753939542 -1.42125686195 -3.70840982684 TCL: atom 1: phi = 0.877819547563 TCL: Center of mass = 50.6790303174 -1.42156738989 -3.70831554401 TCL: atom 1: phi = 0.878323032018 TCL: Center of mass = 50.6826549026 -1.42187598791 -3.70821771007 TCL: atom 1: phi = 0.878660024202 TCL: Center of mass = 50.68627428 -1.42217057117 -3.70813447558 TCL: atom 1: phi = 0.879291572606 TCL: Center of mass = 50.6898955546 -1.42246598765 -3.70804867275 TCL: atom 1: phi = 0.879708696857 TCL: Center of mass = 50.6935192771 -1.42276762882 -3.7079552249 TCL: atom 1: phi = 0.880404153252 TCL: Center of mass = 50.6971354432 -1.42305755962 -3.70786502003 TCL: atom 1: phi = 0.880818219122 TCL: Center of mass = 50.7007549049 -1.42334605065 -3.70775650844 TCL: atom 1: phi = 0.881488485873 TCL: Center of mass = 50.7043728442 -1.42363789153 -3.7076391541 TCL: atom 1: phi = 0.88180930892 TCL: Center of mass = 50.7079985999 -1.42393768196 -3.70751017611 TCL: atom 1: phi = 0.88229724759 TCL: Center of mass = 50.7116194409 -1.42423490295 -3.70738219534 TCL: atom 1: phi = 0.882409319607 TCL: Center of mass = 50.7152323372 -1.42453011502 -3.70725724857 TCL: atom 1: phi = 0.88272056551 TCL: Center of mass = 50.7188574213 -1.42480844314 -3.70713657936 TCL: atom 1: phi = 0.882688724975 TCL: Center of mass = 50.7224852211 -1.42508601167 -3.7070190209 TCL: atom 1: phi = 0.882989837757 TCL: Center of mass = 50.7260980248 -1.42537039712 -3.70690575358 TCL: atom 1: phi = 0.883023457655 TCL: Center of mass = 50.7297189592 -1.42565183861 -3.70678738328 TCL: atom 1: phi = 0.883350332251 TCL: Center of mass = 50.7333466442 -1.42592111666 -3.70667499492 TCL: atom 1: phi = 0.883444246871 TCL: Center of mass = 50.7369756014 -1.42619962414 -3.70656037592 TCL: atom 1: phi = 0.883879641784 TCL: Center of mass = 50.7405989361 -1.42649029991 -3.7064412045 TCL: atom 1: phi = 0.884022518785 TCL: Center of mass = 50.7442279979 -1.42677284138 -3.70631499161 TCL: atom 1: phi = 0.88443231918 TCL: Center of mass = 50.74786601 -1.42704955406 -3.70618435276 TCL: atom 1: phi = 0.884473429703 TCL: Center of mass = 50.7515109374 -1.42732592648 -3.70605589959 TCL: atom 1: phi = 0.88481462041 TCL: Center of mass = 50.7551421283 -1.42759792995 -3.70592865333 TCL: atom 1: phi = 0.884810932444 TCL: Center of mass = 50.7587780711 -1.42787281035 -3.7058017068 TCL: atom 1: phi = 0.885128046908 TCL: Center of mass = 50.7624115683 -1.42813825756 -3.70568320647 TCL: atom 1: phi = 0.885126064645 TCL: Center of mass = 50.7660612929 -1.42841305822 -3.70556570197 TCL: atom 1: phi = 0.885365861135 TCL: Center of mass = 50.7697096678 -1.42869240469 -3.70544329558 TCL: atom 1: phi = 0.88520692823 TCL: Center of mass = 50.7733524741 -1.42897235657 -3.7053166786 TCL: atom 1: phi = 0.885192989812 TCL: Center of mass = 50.7769890803 -1.42925525185 -3.70519308363 TCL: atom 1: phi = 0.884742890199 TCL: Center of mass = 50.7806110755 -1.4295234261 -3.70507755774 TCL: atom 1: phi = 0.884395124977 TCL: Center of mass = 50.7842257779 -1.42978186058 -3.70495439359 TCL: atom 1: phi = 0.883616799901 TCL: Center of mass = 50.7878488801 -1.43004273469 -3.70484245289 TCL: atom 1: phi = 0.883038733753 TCL: Center of mass = 50.7914654741 -1.43030192485 -3.70471394427 TCL: atom 1: phi = 0.882153019471 TCL: Center of mass = 50.7950800949 -1.43055920364 -3.70458108658 TCL: atom 1: phi = 0.881494740397 TCL: Center of mass = 50.7986932881 -1.43081706632 -3.70444911027 TCL: atom 1: phi = 0.880629598619 TCL: Center of mass = 50.8022941909 -1.43107554223 -3.70432481711 TCL: atom 1: phi = 0.880113309724 TCL: Center of mass = 50.8058903638 -1.43133394959 -3.70420201926 TCL: atom 1: phi = 0.879487663015 TCL: Center of mass = 50.8094779031 -1.43160573638 -3.70407566596 TCL: atom 1: phi = 0.879186344579 TCL: Center of mass = 50.813072057 -1.43187124238 -3.70394810145 TCL: atom 1: phi = 0.878737394381 TCL: Center of mass = 50.8166688214 -1.43213433845 -3.70381237844 TCL: atom 1: phi = 0.878572888127 TCL: Center of mass = 50.8202780553 -1.432402866 -3.70368112017 TCL: atom 1: phi = 0.878282602733 TCL: Center of mass = 50.8238809349 -1.43265278404 -3.70355166943 TCL: atom 1: phi = 0.878261153699 TCL: Center of mass = 50.827480193 -1.4329071847 -3.70341805291 TCL: atom 1: phi = 0.878160450037 TCL: Center of mass = 50.8310792947 -1.43315582673 -3.70328354477 TCL: atom 1: phi = 0.878336349858 TCL: Center of mass = 50.8346677237 -1.43339201494 -3.70314700891 TCL: atom 1: phi = 0.878482077541 TCL: Center of mass = 50.8382534676 -1.43363107988 -3.70300477191 TCL: atom 1: phi = 0.878988288584 TCL: Center of mass = 50.8418285601 -1.43386989408 -3.7028629303 TCL: atom 1: phi = 0.879476499907 TCL: Center of mass = 50.8454039843 -1.43411540244 -3.70271830481 TCL: atom 1: phi = 0.88023241517 TCL: Center of mass = 50.8489610939 -1.43436105565 -3.70257670415 TCL: atom 1: phi = 0.880890829086 TCL: Center of mass = 50.8525285043 -1.43461038018 -3.70243814777 TCL: atom 1: phi = 0.881801729851 TCL: Center of mass = 50.8561021623 -1.43486451663 -3.70230192598 TCL: atom 1: phi = 0.882513467247 TCL: Center of mass = 50.8596600566 -1.43512480153 -3.70217333937 TCL: atom 1: phi = 0.883413586015 TCL: Center of mass = 50.8632136935 -1.43536676872 -3.70203068112 TCL: atom 1: phi = 0.884132718614 TCL: Center of mass = 50.8667623507 -1.43560272146 -3.70189328123 TCL: atom 1: phi = 0.88504274493 TCL: Center of mass = 50.8703130937 -1.43583998213 -3.70175505629 TCL: atom 1: phi = 0.885781172744 TCL: Center of mass = 50.8738445704 -1.43608111522 -3.7016083438 TCL: atom 1: phi = 0.886821279516 TCL: Center of mass = 50.8773807883 -1.4363232042 -3.70146860534 TCL: atom 1: phi = 0.887759678648 TCL: Center of mass = 50.8809197357 -1.43656081027 -3.70132948267 TCL: atom 1: phi = 0.888934935791 TCL: Center of mass = 50.8844663975 -1.43680237838 -3.70119734795 TCL: atom 1: phi = 0.889867026761 TCL: Center of mass = 50.8880164653 -1.43705098296 -3.70106653138 TCL: atom 1: phi = 0.891009049605 TCL: Center of mass = 50.8915675492 -1.43729945289 -3.70094356287 TCL: atom 1: phi = 0.89187576613 TCL: Center of mass = 50.8951210608 -1.43755574934 -3.70082372967 TCL: atom 1: phi = 0.892914978788 TCL: Center of mass = 50.8986780456 -1.43781647036 -3.70069253163 TCL: atom 1: phi = 0.893636543123 TCL: Center of mass = 50.9022323909 -1.43807358665 -3.70057205379 TCL: atom 1: phi = 0.894571095034 TCL: Center of mass = 50.9057818433 -1.43834013973 -3.70044636241 TCL: atom 1: phi = 0.89532067888 TCL: Center of mass = 50.9093395525 -1.43861005807 -3.7003196771 TCL: atom 1: phi = 0.896388476357 TCL: Center of mass = 50.9128987358 -1.4388760799 -3.70018730294 TCL: atom 1: phi = 0.897283436796 TCL: Center of mass = 50.9164624564 -1.43913402651 -3.70004336424 TCL: atom 1: phi = 0.898473755697 TCL: Center of mass = 50.9200205454 -1.43940026924 -3.69989538804 TCL: atom 1: phi = 0.899450016502 TCL: Center of mass = 50.9235735518 -1.43966665748 -3.69975875378 TCL: atom 1: phi = 0.900664741142 TIMING: 17100 CPU: 2936.12, 0.172394/step Wall: 3589.58, 0.21104/step, 0.170004 hours remaining, 22054 kB of memory in use. ENERGY: 17100 415.6444 685.5495 424.6109 45.5594 -2779.1987 -220.7247 0.0000 0.0000 1214.7521 -213.8072 331.0539 -205.1640 -204.6905 331.8412 2136.9009 1790.3328 64000.0000 1342.7104 1343.3885 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17100 WRITING COORDINATES TO DCD FILE AT STEP 17100 WRITING COORDINATES TO RESTART FILE AT STEP 17100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 50.9271368082 -1.43993087918 -3.6996208584 TCL: atom 1: phi = 0.901587389417 TCL: Center of mass = 50.9307062125 -1.44019903074 -3.69948244163 TCL: atom 1: phi = 0.902735032523 TCL: Center of mass = 50.9342805184 -1.44047104279 -3.69935052631 TCL: atom 1: phi = 0.903628605702 TCL: Center of mass = 50.9378619444 -1.44073942381 -3.69920442927 TCL: atom 1: phi = 0.90473886474 TCL: Center of mass = 50.941441283 -1.44100733028 -3.69906401182 TCL: atom 1: phi = 0.905596393766 TCL: Center of mass = 50.9450266331 -1.44128234298 -3.69894045628 TCL: atom 1: phi = 0.906711736716 TCL: Center of mass = 50.9486125372 -1.44157596493 -3.6988151635 TCL: atom 1: phi = 0.907555550666 TCL: Center of mass = 50.9522056356 -1.44188467608 -3.69869472043 TCL: atom 1: phi = 0.908697370764 TCL: Center of mass = 50.9558079009 -1.442185568 -3.69856334618 TCL: atom 1: phi = 0.909596356395 TCL: Center of mass = 50.9594116697 -1.44248521152 -3.69843635375 TCL: atom 1: phi = 0.910747245837 TCL: Center of mass = 50.9630115765 -1.442786951 -3.69831009097 TCL: atom 1: phi = 0.911573731425 TCL: Center of mass = 50.9666203111 -1.44309542798 -3.69818412324 TCL: atom 1: phi = 0.912567796945 TCL: Center of mass = 50.9702397483 -1.44341806313 -3.69807042639 TCL: atom 1: phi = 0.913182895959 TCL: Center of mass = 50.9738629753 -1.443750353 -3.69794625505 TCL: atom 1: phi = 0.913959244765 TCL: Center of mass = 50.9774911792 -1.44408227949 -3.6978193258 TCL: atom 1: phi = 0.914387179956 TCL: Center of mass = 50.9811194532 -1.44439948114 -3.69768955349 TCL: atom 1: phi = 0.915057738258 TCL: Center of mass = 50.984752675 -1.44471455782 -3.69756830509 TCL: atom 1: phi = 0.91532588943 TCL: Center of mass = 50.9883835145 -1.44502692301 -3.69744626392 TCL: atom 1: phi = 0.915854529225 TCL: Center of mass = 50.9920023342 -1.44533698279 -3.69731913255 TCL: atom 1: phi = 0.915982970084 TCL: Center of mass = 50.9956093548 -1.44565190309 -3.6972008555 TCL: atom 1: phi = 0.916244034008 TCL: Center of mass = 50.9992095151 -1.44596463885 -3.69708289348 TCL: atom 1: phi = 0.916009460729 TCL: Center of mass = 51.0028121009 -1.44627972226 -3.69696545748 TCL: atom 1: phi = 0.915891150793 TCL: Center of mass = 51.0064055747 -1.44657717024 -3.69685958259 TCL: atom 1: phi = 0.915272291871 TCL: Center of mass = 51.009994581 -1.44688248381 -3.69674638062 TCL: atom 1: phi = 0.914737748865 TCL: Center of mass = 51.0135867416 -1.44718170384 -3.69664059213 TCL: atom 1: phi = 0.913748296709 TCL: Center of mass = 51.0171799945 -1.44747708703 -3.69654132425 TCL: atom 1: phi = 0.913055664416 TCL: Center of mass = 51.0207695401 -1.44777823442 -3.69644235926 TCL: atom 1: phi = 0.912154919809 TCL: Center of mass = 51.024357146 -1.44806867847 -3.69635713052 TCL: atom 1: phi = 0.911627043126 TCL: Center of mass = 51.027937893 -1.44836197644 -3.69626025355 TCL: atom 1: phi = 0.910937310326 TCL: Center of mass = 51.031520454 -1.44865490055 -3.69615904129 TCL: atom 1: phi = 0.910503249711 TCL: Center of mass = 51.0351061946 -1.44894060877 -3.69607123135 TCL: atom 1: phi = 0.909917159884 TCL: Center of mass = 51.0386802705 -1.44922397656 -3.69599129299 TCL: atom 1: phi = 0.909584020988 TCL: Center of mass = 51.0422521187 -1.44951274764 -3.69591631366 TCL: atom 1: phi = 0.908980994878 TCL: Center of mass = 51.0458242489 -1.44980070547 -3.69583958328 TCL: atom 1: phi = 0.908554688786 TCL: Center of mass = 51.0493999175 -1.45008940959 -3.69576437267 TCL: atom 1: phi = 0.908007613824 TCL: Center of mass = 51.0529722084 -1.45037335994 -3.69568372933 TCL: atom 1: phi = 0.907753975348 TCL: Center of mass = 51.0565473632 -1.45066424695 -3.69560848468 TCL: atom 1: phi = 0.907413145538 TCL: Center of mass = 51.0601287325 -1.45094827731 -3.69554215577 TCL: atom 1: phi = 0.90739970294 TCL: Center of mass = 51.0637050227 -1.45121830501 -3.69548644357 TCL: atom 1: phi = 0.907284427407 TCL: Center of mass = 51.0672773828 -1.45148680599 -3.69544745103 TCL: atom 1: phi = 0.907452680609 TCL: Center of mass = 51.0708583186 -1.45176036021 -3.69541500888 TCL: atom 1: phi = 0.907487907905 TCL: Center of mass = 51.0744433089 -1.4520325181 -3.69538473527 TCL: atom 1: phi = 0.907733907429 TCL: Center of mass = 51.0780228122 -1.45230336534 -3.69536624132 TCL: atom 1: phi = 0.90777396441 TCL: Center of mass = 51.0815961341 -1.45257601424 -3.69536310581 TCL: atom 1: phi = 0.907992788615 TCL: Center of mass = 51.0851732049 -1.45284378809 -3.69536797978 TCL: atom 1: phi = 0.908051397102 TCL: Center of mass = 51.0887552607 -1.45311285395 -3.69537616052 TCL: atom 1: phi = 0.908314953091 TCL: Center of mass = 51.0923390332 -1.45337707225 -3.6953931606 TCL: atom 1: phi = 0.908539807604 TCL: Center of mass = 51.0959258559 -1.45363967279 -3.69539622787 TCL: atom 1: phi = 0.908979522345 TCL: Center of mass = 51.0995095302 -1.45391166263 -3.69540202062 TCL: atom 1: phi = 0.909353484723 TCL: Center of mass = 51.1030987282 -1.45417809148 -3.6954093727 TCL: atom 1: phi = 0.90996118817 TCL: Center of mass = 51.1066970671 -1.45445567479 -3.69542023422 TCL: atom 1: phi = 0.910382972175 TCL: Center of mass = 51.1102970795 -1.45473176706 -3.69541433995 TCL: atom 1: phi = 0.910874464664 TCL: Center of mass = 51.1139005648 -1.45500992423 -3.69540605692 TCL: atom 1: phi = 0.91110812108 TCL: Center of mass = 51.117492386 -1.45527545063 -3.6953956142 TCL: atom 1: phi = 0.911420464221 TCL: Center of mass = 51.1210828285 -1.45553683034 -3.69538752315 TCL: atom 1: phi = 0.911465206078 TCL: Center of mass = 51.1246655875 -1.45579909534 -3.69538035407 TCL: atom 1: phi = 0.911632987757 TCL: Center of mass = 51.1282430777 -1.45606720126 -3.69536945135 TCL: atom 1: phi = 0.911615617346 TCL: Center of mass = 51.1318215684 -1.45633947658 -3.69534575199 TCL: atom 1: phi = 0.911849005822 TCL: Center of mass = 51.1353919734 -1.45661434166 -3.69532261486 TCL: atom 1: phi = 0.911989610341 TCL: Center of mass = 51.1389535807 -1.45687314176 -3.69530522415 TCL: atom 1: phi = 0.912396084617 TCL: Center of mass = 51.1425231969 -1.45712417646 -3.69529338253 TCL: atom 1: phi = 0.912675390402 TCL: Center of mass = 51.146083284 -1.4573665369 -3.69528989549 TCL: atom 1: phi = 0.91313273656 TCL: Center of mass = 51.1496377633 -1.45762182094 -3.69528810545 TCL: atom 1: phi = 0.913471578144 TCL: Center of mass = 51.1531870298 -1.45788462249 -3.69528712703 TCL: atom 1: phi = 0.913963295321 TCL: Center of mass = 51.1567379754 -1.4581502189 -3.69528945323 TCL: atom 1: phi = 0.914249368555 TCL: Center of mass = 51.1602830309 -1.45842476796 -3.69530222628 TCL: atom 1: phi = 0.914791593451 TCL: Center of mass = 51.1638277155 -1.45870268713 -3.69530848323 TCL: atom 1: phi = 0.915163952305 TCL: Center of mass = 51.16737633 -1.45897857188 -3.695316163 TCL: atom 1: phi = 0.915794646681 TCL: Center of mass = 51.1709241993 -1.45924894282 -3.69530693618 TCL: atom 1: phi = 0.916261814204 TCL: Center of mass = 51.1744636123 -1.4595231091 -3.69528895817 TCL: atom 1: phi = 0.917016082717 TCL: Center of mass = 51.1779946307 -1.45978930476 -3.69527707135 TCL: atom 1: phi = 0.917652979957 TCL: Center of mass = 51.181522734 -1.4600522562 -3.69525686441 TCL: atom 1: phi = 0.918498549996 TCL: Center of mass = 51.1850441595 -1.4602945512 -3.69524385203 TCL: atom 1: phi = 0.919079338824 TCL: Center of mass = 51.1885620524 -1.46053478698 -3.69523089627 TCL: atom 1: phi = 0.919798326093 TCL: Center of mass = 51.1920904223 -1.46076868298 -3.69522618695 TCL: atom 1: phi = 0.920224574947 TCL: Center of mass = 51.1956189106 -1.46100654889 -3.69522096877 TCL: atom 1: phi = 0.920807922563 TCL: Center of mass = 51.1991405112 -1.46124549717 -3.69521629275 TCL: atom 1: phi = 0.921070664772 TCL: Center of mass = 51.2026705248 -1.46147947601 -3.69521695277 TCL: atom 1: phi = 0.921538631556 TCL: Center of mass = 51.2062042591 -1.46171460019 -3.69521913912 TCL: atom 1: phi = 0.921758958202 TCL: Center of mass = 51.2097442127 -1.46195732841 -3.6952252089 TCL: atom 1: phi = 0.922194103289 TCL: Center of mass = 51.2132858806 -1.46220188918 -3.69523358229 TCL: atom 1: phi = 0.922334588155 TCL: Center of mass = 51.2168305914 -1.46245169548 -3.69523420185 TCL: atom 1: phi = 0.922667145143 TCL: Center of mass = 51.2203631034 -1.46270073604 -3.69523608004 TCL: atom 1: phi = 0.922629818721 TCL: Center of mass = 51.2238835564 -1.46294139399 -3.69523388089 TCL: atom 1: phi = 0.922657241796 TCL: Center of mass = 51.2274146212 -1.46317986767 -3.69523435473 TCL: atom 1: phi = 0.922218368099 TCL: Center of mass = 51.2309366109 -1.46341995994 -3.69522775291 TCL: atom 1: phi = 0.92179333482 TCL: Center of mass = 51.2344611754 -1.46365948289 -3.69520847246 TCL: atom 1: phi = 0.921000129904 TCL: Center of mass = 51.2379986 -1.46390065315 -3.69517860669 TCL: atom 1: phi = 0.920351953726 TCL: Center of mass = 51.2415292679 -1.46412940251 -3.69515356659 TCL: atom 1: phi = 0.919470238826 TCL: Center of mass = 51.2450575812 -1.46435280387 -3.69513666097 TCL: atom 1: phi = 0.918768044114 TCL: Center of mass = 51.248590716 -1.46456982118 -3.69512442309 TCL: atom 1: phi = 0.917902543723 TCL: Center of mass = 51.2521306652 -1.46478634782 -3.69511580541 TCL: atom 1: phi = 0.917252318534 TCL: Center of mass = 51.2556746131 -1.46500737427 -3.69510563355 TCL: atom 1: phi = 0.91640353693 TCL: Center of mass = 51.2592174875 -1.4652331146 -3.69508709025 TCL: atom 1: phi = 0.915720143964 TCL: Center of mass = 51.2627490234 -1.46544726818 -3.69506761863 TCL: atom 1: phi = 0.914860305831 TCL: Center of mass = 51.2662948163 -1.46565757445 -3.69504902291 TCL: atom 1: phi = 0.914199120179 TCL: Center of mass = 51.2698314437 -1.46585734616 -3.69503844047 TCL: atom 1: phi = 0.913407646558 TCL: Center of mass = 51.2733698245 -1.46606276242 -3.69503066998 TCL: atom 1: phi = 0.912886463259 TCL: Center of mass = 51.2769136586 -1.46626651819 -3.69503040282 TCL: atom 1: phi = 0.912411989055 TCL: Center of mass = 51.2804651488 -1.46646006106 -3.69503073275 TCL: atom 1: phi = 0.912348744081 TIMING: 17200 CPU: 2953.34, 0.172264/step Wall: 3610.68, 0.210935/step, 0.164061 hours remaining, 22054 kB of memory in use. ENERGY: 17200 445.1083 681.1243 407.5580 41.3176 -2790.5180 -211.9680 0.0000 0.0000 1197.7867 -229.5909 326.4304 -220.5235 -221.1134 330.7256 1297.4188 1018.7167 64000.0000 1179.6824 1183.9805 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17200 WRITING COORDINATES TO DCD FILE AT STEP 17200 WRITING COORDINATES TO RESTART FILE AT STEP 17200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 51.2840126273 -1.46666045471 -3.69502646977 TCL: atom 1: phi = 0.912472971178 TCL: Center of mass = 51.2875545518 -1.46687094532 -3.69502036876 TCL: atom 1: phi = 0.912935224705 TCL: Center of mass = 51.2910940243 -1.46707655192 -3.69500702063 TCL: atom 1: phi = 0.913472143022 TCL: Center of mass = 51.2946403071 -1.4672836179 -3.69498443233 TCL: atom 1: phi = 0.914305470376 TCL: Center of mass = 51.2981899585 -1.46748682708 -3.6949625111 TCL: atom 1: phi = 0.915083704466 TCL: Center of mass = 51.3017305235 -1.46770035253 -3.69493600583 TCL: atom 1: phi = 0.916068414195 TCL: Center of mass = 51.3052790032 -1.46791775232 -3.69490703625 TCL: atom 1: phi = 0.917006332703 TCL: Center of mass = 51.3088210168 -1.46813182171 -3.69487968248 TCL: atom 1: phi = 0.918162904517 TCL: Center of mass = 51.3123651606 -1.46835730316 -3.69485862234 TCL: atom 1: phi = 0.919210915637 TCL: Center of mass = 51.3159011054 -1.46859637316 -3.69483967265 TCL: atom 1: phi = 0.920530583587 TCL: Center of mass = 51.319451083 -1.46884457211 -3.69481396535 TCL: atom 1: phi = 0.921739755677 TCL: Center of mass = 51.3229965845 -1.4690966801 -3.69479056609 TCL: atom 1: phi = 0.923237235707 TCL: Center of mass = 51.3265416065 -1.46936143946 -3.69477862467 TCL: atom 1: phi = 0.92458517628 TCL: Center of mass = 51.3300805878 -1.46962356861 -3.69475563037 TCL: atom 1: phi = 0.926039707435 TCL: Center of mass = 51.3336180435 -1.46989667217 -3.69473185226 TCL: atom 1: phi = 0.927239872682 TCL: Center of mass = 51.337150567 -1.47016840464 -3.69471535695 TCL: atom 1: phi = 0.928521134952 TCL: Center of mass = 51.3406979853 -1.4704504208 -3.69469541519 TCL: atom 1: phi = 0.92947621154 TCL: Center of mass = 51.3442401169 -1.47072390969 -3.69466777839 TCL: atom 1: phi = 0.930569468905 TCL: Center of mass = 51.3477810251 -1.47099723742 -3.69462896841 TCL: atom 1: phi = 0.931471622695 TCL: Center of mass = 51.3513156455 -1.47127605956 -3.69459740043 TCL: atom 1: phi = 0.932623632607 TCL: Center of mass = 51.3548507367 -1.47155520167 -3.69458076197 TCL: atom 1: phi = 0.933595610471 TCL: Center of mass = 51.358386614 -1.47184031324 -3.69455184196 TCL: atom 1: phi = 0.934782557803 TCL: Center of mass = 51.3619096935 -1.4721169391 -3.69453110724 TCL: atom 1: phi = 0.935632156492 TCL: Center of mass = 51.3654268583 -1.47239075706 -3.69450386486 TCL: atom 1: phi = 0.93654247923 TCL: Center of mass = 51.3689462922 -1.47265664762 -3.69447283281 TCL: atom 1: phi = 0.937003225598 TCL: Center of mass = 51.3724588461 -1.47291944842 -3.69444386306 TCL: atom 1: phi = 0.937441983021 TCL: Center of mass = 51.375968709 -1.47316191225 -3.69442182606 TCL: atom 1: phi = 0.937391644342 TCL: Center of mass = 51.3794791089 -1.47341239395 -3.69438892801 TCL: atom 1: phi = 0.937427635135 TCL: Center of mass = 51.3829907657 -1.47365427101 -3.6943568606 TCL: atom 1: phi = 0.937091096182 TCL: Center of mass = 51.3865033769 -1.47389106277 -3.6943259668 TCL: atom 1: phi = 0.936985001846 TCL: Center of mass = 51.3900221613 -1.47412180412 -3.694302635 TCL: atom 1: phi = 0.93653167303 TCL: Center of mass = 51.3935466571 -1.4743483708 -3.69429193604 TCL: atom 1: phi = 0.936354339898 TCL: Center of mass = 51.3970672244 -1.47457032453 -3.69427222408 TCL: atom 1: phi = 0.935835090821 TCL: Center of mass = 51.4005778244 -1.4747901919 -3.69425404819 TCL: atom 1: phi = 0.935565009621 TCL: Center of mass = 51.4041007483 -1.47502107319 -3.69423169477 TCL: atom 1: phi = 0.934915737912 TCL: Center of mass = 51.4076189989 -1.47525589474 -3.69421507837 TCL: atom 1: phi = 0.934564403726 TCL: Center of mass = 51.4111406294 -1.47547991033 -3.69419980347 TCL: atom 1: phi = 0.933890083687 TCL: Center of mass = 51.4146687136 -1.47570288063 -3.69418457298 TCL: atom 1: phi = 0.933587426501 TCL: Center of mass = 51.4181913049 -1.47593638716 -3.69416196693 TCL: atom 1: phi = 0.933022835365 TCL: Center of mass = 51.4217206276 -1.47617229466 -3.69414425132 TCL: atom 1: phi = 0.932864129282 TCL: Center of mass = 51.4252427223 -1.476409623 -3.69412059565 TCL: atom 1: phi = 0.932468450807 TCL: Center of mass = 51.4287634347 -1.47665364678 -3.6941036494 TCL: atom 1: phi = 0.932476031069 TCL: Center of mass = 51.4322825456 -1.4769075563 -3.6940896327 TCL: atom 1: phi = 0.932204660518 TCL: Center of mass = 51.4357955464 -1.47716307652 -3.69407324313 TCL: atom 1: phi = 0.932216411411 TCL: Center of mass = 51.4393028919 -1.47742034783 -3.69404882745 TCL: atom 1: phi = 0.931798292795 TCL: Center of mass = 51.4428151813 -1.47767331665 -3.69401934016 TCL: atom 1: phi = 0.931572943558 TCL: Center of mass = 51.4463180762 -1.47792206969 -3.69399558233 TCL: atom 1: phi = 0.930891797181 TCL: Center of mass = 51.4498192507 -1.4781614023 -3.69397258321 TCL: atom 1: phi = 0.930440797105 TCL: Center of mass = 51.4533205543 -1.47839938363 -3.6939446567 TCL: atom 1: phi = 0.929612072084 TCL: Center of mass = 51.4568137912 -1.47863316029 -3.69391171604 TCL: atom 1: phi = 0.928941689117 TCL: Center of mass = 51.4602956063 -1.47886338049 -3.69388024487 TCL: atom 1: phi = 0.928019282002 TCL: Center of mass = 51.4637800234 -1.47911705659 -3.69385061935 TCL: atom 1: phi = 0.927347920715 TCL: Center of mass = 51.467252093 -1.47938076254 -3.69381446529 TCL: atom 1: phi = 0.926451541776 TCL: Center of mass = 51.4707193376 -1.47963984597 -3.69377727112 TCL: atom 1: phi = 0.925796941867 TCL: Center of mass = 51.4741761335 -1.47990186645 -3.69374221855 TCL: atom 1: phi = 0.924908977589 TCL: Center of mass = 51.4776280576 -1.4801568307 -3.69370051751 TCL: atom 1: phi = 0.924277005649 TCL: Center of mass = 51.4810733276 -1.48041119279 -3.69366359905 TCL: atom 1: phi = 0.923446235807 TCL: Center of mass = 51.4845267962 -1.48067078295 -3.69363283852 TCL: atom 1: phi = 0.922892926854 TCL: Center of mass = 51.4879791635 -1.48093047763 -3.69360063807 TCL: atom 1: phi = 0.922272347258 TCL: Center of mass = 51.4914308292 -1.48118565871 -3.69357060541 TCL: atom 1: phi = 0.92206929988 TCL: Center of mass = 51.4948840633 -1.48143635576 -3.69353604206 TCL: atom 1: phi = 0.921937072486 TCL: Center of mass = 51.4983349684 -1.48168863322 -3.69348866694 TCL: atom 1: phi = 0.922227365096 TCL: Center of mass = 51.5017872012 -1.4819593874 -3.69343505754 TCL: atom 1: phi = 0.922482113102 TCL: Center of mass = 51.505246234 -1.48222758989 -3.69337942504 TCL: atom 1: phi = 0.923056361888 TCL: Center of mass = 51.5087163843 -1.48249933791 -3.69332869895 TCL: atom 1: phi = 0.923363214192 TCL: Center of mass = 51.512177966 -1.48276903527 -3.69327406928 TCL: atom 1: phi = 0.923805639269 TCL: Center of mass = 51.5156407855 -1.48303116531 -3.69322782562 TCL: atom 1: phi = 0.923905853126 TCL: Center of mass = 51.5190916437 -1.4832957574 -3.69319164985 TCL: atom 1: phi = 0.924150702424 TCL: Center of mass = 51.5225492956 -1.48356164429 -3.69316403884 TCL: atom 1: phi = 0.924038656073 TCL: Center of mass = 51.5259961651 -1.48383827281 -3.69313996699 TCL: atom 1: phi = 0.924080950728 TCL: Center of mass = 51.5294496721 -1.48410892136 -3.69311924483 TCL: atom 1: phi = 0.92376781359 TCL: Center of mass = 51.5329029636 -1.48437926125 -3.69309833304 TCL: atom 1: phi = 0.923686362175 TCL: Center of mass = 51.536352743 -1.48465668381 -3.69306793782 TCL: atom 1: phi = 0.923259793255 TCL: Center of mass = 51.5398023874 -1.48493307603 -3.69304591017 TCL: atom 1: phi = 0.923153154751 TCL: Center of mass = 51.5432498656 -1.48521468129 -3.69301073297 TCL: atom 1: phi = 0.922807220576 TCL: Center of mass = 51.5466907804 -1.48550894184 -3.69298910077 TCL: atom 1: phi = 0.922766572573 TCL: Center of mass = 51.5501287238 -1.48580121462 -3.6929650843 TCL: atom 1: phi = 0.92245341612 TCL: Center of mass = 51.553571283 -1.4861076803 -3.69294965683 TCL: atom 1: phi = 0.922531662132 TCL: Center of mass = 51.5570061679 -1.48641773795 -3.69292496554 TCL: atom 1: phi = 0.922488004516 TCL: Center of mass = 51.5604515081 -1.48673349493 -3.69290780986 TCL: atom 1: phi = 0.922941163387 TCL: Center of mass = 51.5638920921 -1.4870661294 -3.69290029215 TCL: atom 1: phi = 0.923314257427 TCL: Center of mass = 51.5673332856 -1.48739033159 -3.69289458759 TCL: atom 1: phi = 0.924224182706 TCL: Center of mass = 51.5707693854 -1.48771466902 -3.69287485438 TCL: atom 1: phi = 0.92495822243 TCL: Center of mass = 51.5742134926 -1.48804661347 -3.69285930447 TCL: atom 1: phi = 0.92615948687 TCL: Center of mass = 51.577654038 -1.48837963905 -3.69284969797 TCL: atom 1: phi = 0.927096587105 TCL: Center of mass = 51.581100225 -1.48870822776 -3.6928483244 TCL: atom 1: phi = 0.928345735715 TCL: Center of mass = 51.5845596717 -1.48903419242 -3.69284445467 TCL: atom 1: phi = 0.929168278121 TCL: Center of mass = 51.588025887 -1.48936284235 -3.69284078475 TCL: atom 1: phi = 0.930219039726 TCL: Center of mass = 51.5914821655 -1.48969847629 -3.69283080265 TCL: atom 1: phi = 0.930813558981 TCL: Center of mass = 51.5949255888 -1.49004121962 -3.6928266044 TCL: atom 1: phi = 0.931592860489 TCL: Center of mass = 51.5983587863 -1.49038889493 -3.69282233085 TCL: atom 1: phi = 0.931917893195 TCL: Center of mass = 51.6018012676 -1.49074026792 -3.69281641097 TCL: atom 1: phi = 0.932462762679 TCL: Center of mass = 51.6052448 -1.49110042525 -3.69281928118 TCL: atom 1: phi = 0.932553878705 TCL: Center of mass = 51.6086924494 -1.49144961592 -3.6928296105 TCL: atom 1: phi = 0.932830252862 TCL: Center of mass = 51.612136888 -1.49178878998 -3.69283802229 TCL: atom 1: phi = 0.932669696472 TCL: Center of mass = 51.6155795808 -1.49213066976 -3.692844337 TCL: atom 1: phi = 0.932734628644 TCL: Center of mass = 51.6190316758 -1.4924638092 -3.69285194729 TCL: atom 1: phi = 0.932455818505 TCL: Center of mass = 51.6224932975 -1.49278414322 -3.69285970189 TCL: atom 1: phi = 0.932437969 TCL: Center of mass = 51.6259564918 -1.49311287742 -3.6928570473 TCL: atom 1: phi = 0.932137499222 TCL: Center of mass = 51.6294293414 -1.49344761716 -3.69286245559 TCL: atom 1: phi = 0.932136612034 TIMING: 17300 CPU: 2970.58, 0.172404/step Wall: 3631.79, 0.211142/step, 0.158356 hours remaining, 22068 kB of memory in use. ENERGY: 17300 392.6809 680.7220 437.1105 41.9022 -2785.5578 -203.2114 0.0000 0.0000 1186.9459 -249.4077 323.4759 -240.6659 -240.2653 323.9819 987.0588 950.9102 64000.0000 1264.8516 1267.6180 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17300 WRITING COORDINATES TO DCD FILE AT STEP 17300 WRITING COORDINATES TO RESTART FILE AT STEP 17300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 51.6328995804 -1.49379169844 -3.69287113847 TCL: atom 1: phi = 0.932006241825 TCL: Center of mass = 51.6363653211 -1.49413423393 -3.69288660467 TCL: atom 1: phi = 0.932226244445 TCL: Center of mass = 51.6398278462 -1.49448677316 -3.69290766185 TCL: atom 1: phi = 0.932331814411 TCL: Center of mass = 51.6432966108 -1.49484234161 -3.69293310038 TCL: atom 1: phi = 0.932810571825 TCL: Center of mass = 51.6467687718 -1.49519105164 -3.69295641347 TCL: atom 1: phi = 0.933107426965 TCL: Center of mass = 51.6502274474 -1.49553793374 -3.69297023093 TCL: atom 1: phi = 0.933642240761 TCL: Center of mass = 51.6536794836 -1.49588087257 -3.69299066286 TCL: atom 1: phi = 0.933950481007 TCL: Center of mass = 51.6571320141 -1.49621748495 -3.69300313999 TCL: atom 1: phi = 0.934400123349 TCL: Center of mass = 51.6605731311 -1.49655374883 -3.69301990088 TCL: atom 1: phi = 0.934595266347 TCL: Center of mass = 51.6640250939 -1.49689117361 -3.69304532757 TCL: atom 1: phi = 0.934931310385 TCL: Center of mass = 51.667473281 -1.49724058453 -3.69306269344 TCL: atom 1: phi = 0.935022547774 TCL: Center of mass = 51.6709265193 -1.49758549042 -3.69307908551 TCL: atom 1: phi = 0.935264704618 TCL: Center of mass = 51.6743843577 -1.49792822897 -3.69308891554 TCL: atom 1: phi = 0.935257997675 TCL: Center of mass = 51.6778365976 -1.498277011 -3.69309528929 TCL: atom 1: phi = 0.935392734598 TCL: Center of mass = 51.6812880554 -1.49862440736 -3.69311619651 TCL: atom 1: phi = 0.935317094367 TCL: Center of mass = 51.6847473321 -1.49897736651 -3.69315434607 TCL: atom 1: phi = 0.935390570111 TCL: Center of mass = 51.6882104976 -1.49933117068 -3.6931920078 TCL: atom 1: phi = 0.935255317944 TCL: Center of mass = 51.691688444 -1.49968061887 -3.6932232409 TCL: atom 1: phi = 0.93529615664 TCL: Center of mass = 51.6951731247 -1.50002341075 -3.69325759366 TCL: atom 1: phi = 0.93524992363 TCL: Center of mass = 51.6986553603 -1.50035421151 -3.69328605517 TCL: atom 1: phi = 0.935509488224 TCL: Center of mass = 51.7021331049 -1.50068135363 -3.69331799491 TCL: atom 1: phi = 0.935721100073 TCL: Center of mass = 51.7056176817 -1.50101305043 -3.69335723748 TCL: atom 1: phi = 0.936341868622 TCL: Center of mass = 51.7091024498 -1.50134988274 -3.6933902099 TCL: atom 1: phi = 0.937003351944 TCL: Center of mass = 51.7125831037 -1.50168382763 -3.69342026122 TCL: atom 1: phi = 0.93808752054 TCL: Center of mass = 51.7160627871 -1.50201763673 -3.69345915175 TCL: atom 1: phi = 0.939173743324 TCL: Center of mass = 51.719545271 -1.50235795399 -3.69351049805 TCL: atom 1: phi = 0.940571476236 TCL: Center of mass = 51.7230372439 -1.50270354688 -3.69356072269 TCL: atom 1: phi = 0.941827301588 TCL: Center of mass = 51.726526467 -1.50305243294 -3.69361290262 TCL: atom 1: phi = 0.943322705307 TCL: Center of mass = 51.730009459 -1.50340392537 -3.69366809175 TCL: atom 1: phi = 0.94458177191 TCL: Center of mass = 51.7334823844 -1.50375163305 -3.69371860437 TCL: atom 1: phi = 0.946072442449 TCL: Center of mass = 51.7369731531 -1.50410597535 -3.69376126658 TCL: atom 1: phi = 0.947270832616 TCL: Center of mass = 51.7404769952 -1.50445899385 -3.69380240753 TCL: atom 1: phi = 0.948569669652 TCL: Center of mass = 51.7439840159 -1.50481809615 -3.69385031648 TCL: atom 1: phi = 0.949539968528 TCL: Center of mass = 51.7474905047 -1.5051933245 -3.69390142981 TCL: atom 1: phi = 0.950678256924 TCL: Center of mass = 51.7509928059 -1.50556959786 -3.69395229042 TCL: atom 1: phi = 0.951449742145 TCL: Center of mass = 51.7544936953 -1.50593818102 -3.69399672408 TCL: atom 1: phi = 0.952307708247 TCL: Center of mass = 51.7579879529 -1.50632369556 -3.69404120854 TCL: atom 1: phi = 0.952818156816 TCL: Center of mass = 51.7614877655 -1.50670148711 -3.69409085513 TCL: atom 1: phi = 0.953524110444 TCL: Center of mass = 51.7649849179 -1.50707513423 -3.69414892659 TCL: atom 1: phi = 0.953829438128 TCL: Center of mass = 51.7684934249 -1.50744234696 -3.69420387118 TCL: atom 1: phi = 0.954333761839 TCL: Center of mass = 51.7719996861 -1.50781293206 -3.69425406701 TCL: atom 1: phi = 0.954586004564 TCL: Center of mass = 51.7755108291 -1.50819514699 -3.69430662044 TCL: atom 1: phi = 0.95506065888 TCL: Center of mass = 51.7790181624 -1.50857468933 -3.69435725901 TCL: atom 1: phi = 0.955249478936 TCL: Center of mass = 51.782509867 -1.50896378358 -3.69440950337 TCL: atom 1: phi = 0.955734548533 TCL: Center of mass = 51.7860059381 -1.50934916331 -3.69446513948 TCL: atom 1: phi = 0.956015716402 TCL: Center of mass = 51.7895002683 -1.50972802587 -3.69451890593 TCL: atom 1: phi = 0.956545215136 TCL: Center of mass = 51.7930076463 -1.51010395633 -3.6945703683 TCL: atom 1: phi = 0.956807633556 TCL: Center of mass = 51.7965021974 -1.51048697246 -3.69462295111 TCL: atom 1: phi = 0.957209506988 TCL: Center of mass = 51.7999937177 -1.51086553506 -3.69467760225 TCL: atom 1: phi = 0.957236957098 TCL: Center of mass = 51.8034790938 -1.51124118142 -3.69474310197 TCL: atom 1: phi = 0.957404507579 TCL: Center of mass = 51.8069654294 -1.51160995199 -3.694808551 TCL: atom 1: phi = 0.957112869208 TCL: Center of mass = 51.8104421022 -1.51197640201 -3.69487261535 TCL: atom 1: phi = 0.956987773118 TCL: Center of mass = 51.8139394561 -1.51234835397 -3.69493805113 TCL: atom 1: phi = 0.956487344279 TCL: Center of mass = 51.8174426753 -1.51273264075 -3.69501100336 TCL: atom 1: phi = 0.956139983824 TCL: Center of mass = 51.8209467662 -1.51311663497 -3.69508438892 TCL: atom 1: phi = 0.955436630657 TCL: Center of mass = 51.8244467667 -1.51349680427 -3.6951607316 TCL: atom 1: phi = 0.954880434907 TCL: Center of mass = 51.8279502783 -1.5138594871 -3.69524653711 TCL: atom 1: phi = 0.953964001479 TCL: Center of mass = 51.8314469771 -1.51422066958 -3.69532834233 TCL: atom 1: phi = 0.953218154622 TCL: Center of mass = 51.8349429522 -1.51458466879 -3.69540276382 TCL: atom 1: phi = 0.95214228534 TCL: Center of mass = 51.8384336032 -1.51494540965 -3.69547590152 TCL: atom 1: phi = 0.951246683608 TCL: Center of mass = 51.8419364883 -1.51531442099 -3.69553465524 TCL: atom 1: phi = 0.950140074992 TCL: Center of mass = 51.84543069 -1.51567560266 -3.69560191029 TCL: atom 1: phi = 0.949352625207 TCL: Center of mass = 51.8489386971 -1.51604404982 -3.69567946429 TCL: atom 1: phi = 0.948434331031 TCL: Center of mass = 51.8524408749 -1.51641157377 -3.69575127338 TCL: atom 1: phi = 0.947837258697 TCL: Center of mass = 51.8559491893 -1.5167768689 -3.69582008598 TCL: atom 1: phi = 0.947151416563 TCL: Center of mass = 51.8594663459 -1.51714106078 -3.69588260029 TCL: atom 1: phi = 0.946780089109 TCL: Center of mass = 51.8629876517 -1.51750424928 -3.69593013691 TCL: atom 1: phi = 0.946302940194 TCL: Center of mass = 51.8665044098 -1.51786640322 -3.69597222786 TCL: atom 1: phi = 0.946155712526 TCL: Center of mass = 51.8700241446 -1.5182198284 -3.69600880369 TCL: atom 1: phi = 0.945878858756 TCL: Center of mass = 51.8735350541 -1.51857048557 -3.6960458045 TCL: atom 1: phi = 0.945803771891 TCL: Center of mass = 51.8770517625 -1.51892800032 -3.69608698179 TCL: atom 1: phi = 0.945567572259 TCL: Center of mass = 51.8805732117 -1.51926426689 -3.69611806962 TCL: atom 1: phi = 0.945521590228 TCL: Center of mass = 51.8841086444 -1.51960373042 -3.69615590045 TCL: atom 1: phi = 0.945328701894 TCL: Center of mass = 51.8876273596 -1.51995359279 -3.69620557964 TCL: atom 1: phi = 0.945398797343 TCL: Center of mass = 51.8911540723 -1.52030872232 -3.6962631161 TCL: atom 1: phi = 0.945336731218 TCL: Center of mass = 51.8946899677 -1.52067029831 -3.69631385739 TCL: atom 1: phi = 0.945510461878 TCL: Center of mass = 51.8982237439 -1.52102602082 -3.69635105958 TCL: atom 1: phi = 0.945474068453 TCL: Center of mass = 51.9017548127 -1.52137914979 -3.69638791864 TCL: atom 1: phi = 0.945643462342 TCL: Center of mass = 51.9052748799 -1.52173826065 -3.69642740318 TCL: atom 1: phi = 0.945597085743 TCL: Center of mass = 51.9088007952 -1.52210115362 -3.69646989505 TCL: atom 1: phi = 0.94570195779 TCL: Center of mass = 51.9123401646 -1.52246176084 -3.69651291441 TCL: atom 1: phi = 0.945581414672 TCL: Center of mass = 51.9158676168 -1.52282281341 -3.69656211778 TCL: atom 1: phi = 0.945687525615 TCL: Center of mass = 51.9193862839 -1.52316580234 -3.69661444109 TCL: atom 1: phi = 0.945670985303 TCL: Center of mass = 51.9228978654 -1.52350723676 -3.69667381966 TCL: atom 1: phi = 0.945956127105 TCL: Center of mass = 51.9264081447 -1.52384453387 -3.69674741151 TCL: atom 1: phi = 0.946195227923 TCL: Center of mass = 51.9299266786 -1.5241817452 -3.69681772979 TCL: atom 1: phi = 0.946783344991 TCL: Center of mass = 51.933444193 -1.52453288031 -3.69688920849 TCL: atom 1: phi = 0.947254406257 TCL: Center of mass = 51.936957454 -1.52489177506 -3.6969587736 TCL: atom 1: phi = 0.947983683781 TCL: Center of mass = 51.9404740997 -1.52525541101 -3.69702436728 TCL: atom 1: phi = 0.948593637724 TCL: Center of mass = 51.9439959892 -1.52562346043 -3.69709530365 TCL: atom 1: phi = 0.949413797988 TCL: Center of mass = 51.9475124944 -1.52599076145 -3.69717406697 TCL: atom 1: phi = 0.950045367387 TCL: Center of mass = 51.9510370916 -1.52635554609 -3.69725970656 TCL: atom 1: phi = 0.950845736714 TCL: Center of mass = 51.9545691671 -1.52672966407 -3.69734440532 TCL: atom 1: phi = 0.9514691489 TCL: Center of mass = 51.9581034226 -1.52710389202 -3.69741672306 TCL: atom 1: phi = 0.952293439397 TCL: Center of mass = 51.9616290457 -1.52748312887 -3.69748136356 TCL: atom 1: phi = 0.952977899228 TCL: Center of mass = 51.9651502884 -1.52784682134 -3.69754519452 TCL: atom 1: phi = 0.95390587497 TCL: Center of mass = 51.9686742776 -1.52821757784 -3.69761405852 TCL: atom 1: phi = 0.954592096666 TCL: Center of mass = 51.9722023108 -1.5285836072 -3.69768656522 TCL: atom 1: phi = 0.955509230896 TCL: Center of mass = 51.9757231749 -1.52896263955 -3.69776402487 TCL: atom 1: phi = 0.956173465146 TCL: Center of mass = 51.9792486155 -1.52934952771 -3.69784434591 TCL: atom 1: phi = 0.957046060857 TIMING: 17400 CPU: 2987.93, 0.173484/step Wall: 3652.96, 0.211684/step, 0.152883 hours remaining, 22108 kB of memory in use. ENERGY: 17400 417.9972 695.5826 412.1795 46.9303 -2745.8537 -237.9146 0.0000 0.0000 1179.6256 -231.4531 321.4810 -222.3492 -224.0112 323.5748 1537.1199 1331.5496 64000.0000 1277.4367 1277.6875 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17400 WRITING COORDINATES TO DCD FILE AT STEP 17400 WRITING COORDINATES TO RESTART FILE AT STEP 17400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 51.9827702244 -1.52973432843 -3.69791757892 TCL: atom 1: phi = 0.957620118626 TCL: Center of mass = 51.9862853899 -1.5301190004 -3.69799093765 TCL: atom 1: phi = 0.958442824116 TCL: Center of mass = 51.9898161374 -1.53049921852 -3.69806563394 TCL: atom 1: phi = 0.958997083426 TCL: Center of mass = 51.9933525138 -1.53088998776 -3.69814354483 TCL: atom 1: phi = 0.959840611555 TCL: Center of mass = 51.9968956798 -1.53128153336 -3.69822639715 TCL: atom 1: phi = 0.960423722005 TCL: Center of mass = 52.0004374034 -1.53166709032 -3.69831145596 TCL: atom 1: phi = 0.961285246484 TCL: Center of mass = 52.0039715472 -1.53206480896 -3.69839924182 TCL: atom 1: phi = 0.961843080868 TCL: Center of mass = 52.0075135964 -1.53244870728 -3.69847273782 TCL: atom 1: phi = 0.962627676966 TCL: Center of mass = 52.0110512377 -1.53283754557 -3.69853993042 TCL: atom 1: phi = 0.962989294644 TCL: Center of mass = 52.0145875253 -1.53324184493 -3.69859971873 TCL: atom 1: phi = 0.963581731036 TCL: Center of mass = 52.0181231665 -1.53362734798 -3.6986658212 TCL: atom 1: phi = 0.963807470357 TCL: Center of mass = 52.0216610894 -1.53401950853 -3.6987308493 TCL: atom 1: phi = 0.964229560003 TCL: Center of mass = 52.0251887555 -1.5344042671 -3.69879537744 TCL: atom 1: phi = 0.964286539478 TCL: Center of mass = 52.0287125935 -1.53481091908 -3.69885694983 TCL: atom 1: phi = 0.964615284591 TCL: Center of mass = 52.0322285852 -1.53520841079 -3.69890627478 TCL: atom 1: phi = 0.964716500732 TCL: Center of mass = 52.0357461252 -1.53561474437 -3.69894030255 TCL: atom 1: phi = 0.965144427933 TCL: Center of mass = 52.0392692042 -1.53601868966 -3.69896628438 TCL: atom 1: phi = 0.965336747799 TCL: Center of mass = 52.0427710337 -1.53642400041 -3.69898194438 TCL: atom 1: phi = 0.965916361908 TCL: Center of mass = 52.0462881503 -1.53683350694 -3.69900029217 TCL: atom 1: phi = 0.966261225065 TCL: Center of mass = 52.0497998779 -1.53724225415 -3.69903348342 TCL: atom 1: phi = 0.966953025824 TCL: Center of mass = 52.0533131175 -1.53765029144 -3.69906824902 TCL: atom 1: phi = 0.967289594968 TCL: Center of mass = 52.0568228362 -1.53806230502 -3.69909693402 TCL: atom 1: phi = 0.967862003591 TCL: Center of mass = 52.0603388435 -1.53847242839 -3.69913089415 TCL: atom 1: phi = 0.968050567452 TCL: Center of mass = 52.0638526508 -1.53887817284 -3.69916182117 TCL: atom 1: phi = 0.968437933184 TCL: Center of mass = 52.0673778901 -1.5392923535 -3.69919553461 TCL: atom 1: phi = 0.968537578223 TCL: Center of mass = 52.0709036069 -1.53970550006 -3.69923016922 TCL: atom 1: phi = 0.968909616401 TCL: Center of mass = 52.0744378689 -1.54011447813 -3.69926202597 TCL: atom 1: phi = 0.968967245612 TCL: Center of mass = 52.0779794744 -1.5405234769 -3.69927718733 TCL: atom 1: phi = 0.969277641942 TCL: Center of mass = 52.0815104371 -1.5409365102 -3.69928827989 TCL: atom 1: phi = 0.969271213039 TCL: Center of mass = 52.0850439062 -1.54135928917 -3.69930165291 TCL: atom 1: phi = 0.969476017567 TCL: Center of mass = 52.0885872157 -1.54178814992 -3.69930958179 TCL: atom 1: phi = 0.969320491376 TCL: Center of mass = 52.0921210971 -1.54221278496 -3.69931690737 TCL: atom 1: phi = 0.969309981903 TCL: Center of mass = 52.0956618549 -1.5426439746 -3.6993150742 TCL: atom 1: phi = 0.96894648755 TCL: Center of mass = 52.0991858671 -1.54308203529 -3.69930780615 TCL: atom 1: phi = 0.968784209161 TCL: Center of mass = 52.1027081028 -1.54351722207 -3.69929263192 TCL: atom 1: phi = 0.968373946238 TCL: Center of mass = 52.1062271006 -1.5439596482 -3.69927672739 TCL: atom 1: phi = 0.968227841114 TCL: Center of mass = 52.1097437094 -1.54439910708 -3.69926749718 TCL: atom 1: phi = 0.96795120989 TCL: Center of mass = 52.1132595724 -1.54483951913 -3.6992576794 TCL: atom 1: phi = 0.967964786369 TCL: Center of mass = 52.1167821597 -1.54526419111 -3.69923488592 TCL: atom 1: phi = 0.967905906971 TCL: Center of mass = 52.1203152597 -1.54570230953 -3.69919560946 TCL: atom 1: phi = 0.968078602047 TCL: Center of mass = 52.1238457045 -1.54614572314 -3.69915725841 TCL: atom 1: phi = 0.968016957838 TCL: Center of mass = 52.1273760117 -1.54658966516 -3.69912765395 TCL: atom 1: phi = 0.968214791129 TCL: Center of mass = 52.1309059978 -1.54703877797 -3.69910129554 TCL: atom 1: phi = 0.968201578507 TCL: Center of mass = 52.1344374574 -1.54749279407 -3.69907436113 TCL: atom 1: phi = 0.968443673906 TCL: Center of mass = 52.1379726911 -1.54796503411 -3.69904766932 TCL: atom 1: phi = 0.968588203618 TCL: Center of mass = 52.1415162097 -1.54843833052 -3.69903098319 TCL: atom 1: phi = 0.969021553197 TCL: Center of mass = 52.1450574156 -1.54891459578 -3.69902477065 TCL: atom 1: phi = 0.969354526075 TCL: Center of mass = 52.1485958496 -1.54939265097 -3.69901660803 TCL: atom 1: phi = 0.970057069569 TCL: Center of mass = 52.1521318265 -1.54986063161 -3.69900306697 TCL: atom 1: phi = 0.970638637334 TCL: Center of mass = 52.1556611216 -1.55033619061 -3.69898139585 TCL: atom 1: phi = 0.971524873835 TCL: Center of mass = 52.1591707311 -1.55080348491 -3.69897130212 TCL: atom 1: phi = 0.972204856165 TCL: Center of mass = 52.1626732772 -1.55126414434 -3.69896251978 TCL: atom 1: phi = 0.973103827829 TCL: Center of mass = 52.166184718 -1.5517139261 -3.69896301936 TCL: atom 1: phi = 0.973694437205 TCL: Center of mass = 52.169691241 -1.55217429288 -3.69896395042 TCL: atom 1: phi = 0.974471906367 TCL: Center of mass = 52.1731986456 -1.55262933728 -3.69896683841 TCL: atom 1: phi = 0.974867526938 TCL: Center of mass = 52.1766923675 -1.55307344343 -3.69897665421 TCL: atom 1: phi = 0.975482987524 TCL: Center of mass = 52.1801967889 -1.55351824873 -3.69898497075 TCL: atom 1: phi = 0.975811545226 TCL: Center of mass = 52.1837024867 -1.55395478055 -3.69899332478 TCL: atom 1: phi = 0.976420704032 TCL: Center of mass = 52.1872064121 -1.55439258898 -3.69899127027 TCL: atom 1: phi = 0.976732366363 TCL: Center of mass = 52.1907159354 -1.5548203637 -3.69898498278 TCL: atom 1: phi = 0.977289184294 TCL: Center of mass = 52.1942302841 -1.55525049283 -3.69898245816 TCL: atom 1: phi = 0.977440274603 TCL: Center of mass = 52.1977415058 -1.55568547176 -3.6989845291 TCL: atom 1: phi = 0.977752078292 TCL: Center of mass = 52.2012600938 -1.55611242812 -3.69897662608 TCL: atom 1: phi = 0.977637614862 TCL: Center of mass = 52.2047823777 -1.5565254294 -3.69896899237 TCL: atom 1: phi = 0.977582931638 TCL: Center of mass = 52.2082983566 -1.55694544016 -3.69896168361 TCL: atom 1: phi = 0.977110866862 TCL: Center of mass = 52.21181809 -1.55736512582 -3.69895617054 TCL: atom 1: phi = 0.976754687767 TCL: Center of mass = 52.2153354049 -1.55780121456 -3.69895578501 TCL: atom 1: phi = 0.976048471983 TCL: Center of mass = 52.218840641 -1.5582340369 -3.6989577849 TCL: atom 1: phi = 0.975507628083 TCL: Center of mass = 52.2223330914 -1.55866631914 -3.69895918085 TCL: atom 1: phi = 0.974694972483 TCL: Center of mass = 52.2258198178 -1.55909620127 -3.69896167388 TCL: atom 1: phi = 0.974058145445 TCL: Center of mass = 52.2292988813 -1.5595158302 -3.6989593316 TCL: atom 1: phi = 0.973151296515 TCL: Center of mass = 52.2327831668 -1.55994452085 -3.69895230324 TCL: atom 1: phi = 0.972322042849 TCL: Center of mass = 52.2362712863 -1.56037691253 -3.69893372156 TCL: atom 1: phi = 0.971196100995 TCL: Center of mass = 52.2397614085 -1.56081921102 -3.69892331426 TCL: atom 1: phi = 0.970158872647 TCL: Center of mass = 52.2432561834 -1.56126508887 -3.69891920709 TCL: atom 1: phi = 0.968885299994 TCL: Center of mass = 52.2467442282 -1.56171264935 -3.69892127931 TCL: atom 1: phi = 0.967849177097 TCL: Center of mass = 52.2502392762 -1.56217400049 -3.69891955801 TCL: atom 1: phi = 0.966764346137 TCL: Center of mass = 52.2537357735 -1.56264049625 -3.69892802143 TCL: atom 1: phi = 0.965995841947 TCL: Center of mass = 52.2572277037 -1.56310791341 -3.69894010685 TCL: atom 1: phi = 0.965272085532 TCL: Center of mass = 52.2607076431 -1.56359624409 -3.69894099685 TCL: atom 1: phi = 0.964788311385 TCL: Center of mass = 52.2641892196 -1.56410325462 -3.69894536687 TCL: atom 1: phi = 0.964241900114 TCL: Center of mass = 52.2676740538 -1.56461118587 -3.69894974415 TCL: atom 1: phi = 0.963881866856 TCL: Center of mass = 52.271173834 -1.56511834968 -3.69895949469 TCL: atom 1: phi = 0.963353977354 TCL: Center of mass = 52.2746789048 -1.56563185807 -3.69897813257 TCL: atom 1: phi = 0.962932184965 TCL: Center of mass = 52.2781788144 -1.56613028134 -3.69899389952 TCL: atom 1: phi = 0.962326120084 TCL: Center of mass = 52.2816695147 -1.56661742245 -3.69901719532 TCL: atom 1: phi = 0.961871399035 TCL: Center of mass = 52.2851565982 -1.56711241795 -3.6990471251 TCL: atom 1: phi = 0.961409663046 TCL: Center of mass = 52.2886435587 -1.56760041057 -3.6990765781 TCL: atom 1: phi = 0.961157027182 TCL: Center of mass = 52.2921352685 -1.56809378881 -3.69909923954 TCL: atom 1: phi = 0.960980356643 TCL: Center of mass = 52.2956209731 -1.56858565389 -3.69911290712 TCL: atom 1: phi = 0.961037407456 TCL: Center of mass = 52.2991130263 -1.56907917053 -3.6991386007 TCL: atom 1: phi = 0.961131376977 TCL: Center of mass = 52.302611253 -1.56956953536 -3.69916358805 TCL: atom 1: phi = 0.961410976799 TCL: Center of mass = 52.306115351 -1.5700634176 -3.69919119757 TCL: atom 1: phi = 0.961630025771 TCL: Center of mass = 52.3096091595 -1.57055685756 -3.69921655142 TCL: atom 1: phi = 0.961943675939 TCL: Center of mass = 52.3130979517 -1.57104861294 -3.69925361702 TCL: atom 1: phi = 0.96215164627 TCL: Center of mass = 52.3165769224 -1.571531082 -3.69929317802 TCL: atom 1: phi = 0.962492581073 TCL: Center of mass = 52.320053079 -1.5720179794 -3.69931964501 TCL: atom 1: phi = 0.962913839506 TCL: Center of mass = 52.3235291686 -1.57250944253 -3.69935041349 TCL: atom 1: phi = 0.963548622768 TCL: Center of mass = 52.3270016502 -1.57299689456 -3.69938009259 TCL: atom 1: phi = 0.964179779564 TCL: Center of mass = 52.3304781771 -1.57348796303 -3.69940758305 TCL: atom 1: phi = 0.965015259677 TIMING: 17500 CPU: 3005.33, 0.173994/step Wall: 3674.12, 0.211631/step, 0.146966 hours remaining, 22108 kB of memory in use. ENERGY: 17500 398.1760 687.3204 403.9910 43.7835 -2756.5130 -230.5529 0.0000 0.0000 1208.3333 -245.4617 329.3046 -236.9110 -236.6418 324.2286 1147.2750 1084.5783 64000.0000 1135.8615 1128.3554 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17500 WRITING COORDINATES TO DCD FILE AT STEP 17500 WRITING COORDINATES TO RESTART FILE AT STEP 17500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 52.333954061 -1.57397976349 -3.69944302364 TCL: atom 1: phi = 0.965818046915 TCL: Center of mass = 52.3374308042 -1.57446747029 -3.69947719269 TCL: atom 1: phi = 0.966712684894 TCL: Center of mass = 52.3409087773 -1.57493942634 -3.69952473123 TCL: atom 1: phi = 0.967526502031 TCL: Center of mass = 52.3443741546 -1.57539827103 -3.69957897791 TCL: atom 1: phi = 0.968400569381 TCL: Center of mass = 52.3478619669 -1.57584593991 -3.69962578455 TCL: atom 1: phi = 0.969118525604 TCL: Center of mass = 52.3513413563 -1.57629219121 -3.69965985958 TCL: atom 1: phi = 0.969948756114 TCL: Center of mass = 52.354821348 -1.57673545515 -3.69969334004 TCL: atom 1: phi = 0.970682986498 TCL: Center of mass = 52.3583188755 -1.57717923304 -3.69972162982 TCL: atom 1: phi = 0.971626344839 TCL: Center of mass = 52.3618158277 -1.57762070216 -3.69974510513 TCL: atom 1: phi = 0.972520975742 TCL: Center of mass = 52.3652959387 -1.57805021014 -3.69975739217 TCL: atom 1: phi = 0.973694326077 TCL: Center of mass = 52.3687758751 -1.57847402003 -3.69977197779 TCL: atom 1: phi = 0.974849624189 TCL: Center of mass = 52.3722563596 -1.57889570845 -3.69977558354 TCL: atom 1: phi = 0.976302529793 TCL: Center of mass = 52.3757409194 -1.57931167914 -3.69977547311 TCL: atom 1: phi = 0.977673338412 TCL: Center of mass = 52.3792210871 -1.57972257688 -3.69976595901 TCL: atom 1: phi = 0.979263823293 TCL: Center of mass = 52.3827091848 -1.58012295594 -3.69976616997 TCL: atom 1: phi = 0.980677888543 TCL: Center of mass = 52.3861891071 -1.58052002939 -3.69976944322 TCL: atom 1: phi = 0.982286779806 TCL: Center of mass = 52.3896724376 -1.58092056864 -3.69977332055 TCL: atom 1: phi = 0.983784389216 TCL: Center of mass = 52.3931533389 -1.58133027192 -3.69977723839 TCL: atom 1: phi = 0.985558842299 TCL: Center of mass = 52.3966414111 -1.58173634658 -3.69979826626 TCL: atom 1: phi = 0.987230837512 TCL: Center of mass = 52.4001403657 -1.58213458079 -3.69982984518 TCL: atom 1: phi = 0.989200761158 TCL: Center of mass = 52.4036340583 -1.58253200733 -3.69986017555 TCL: atom 1: phi = 0.990951330272 TCL: Center of mass = 52.4071309312 -1.58292778143 -3.69989158724 TCL: atom 1: phi = 0.992867498119 TCL: Center of mass = 52.4106357836 -1.58331129679 -3.69992748204 TCL: atom 1: phi = 0.994331011373 TCL: Center of mass = 52.4141395629 -1.58368723166 -3.69995078181 TCL: atom 1: phi = 0.995847551538 TCL: Center of mass = 52.4176522071 -1.58405658206 -3.69998655586 TCL: atom 1: phi = 0.99677386396 TCL: Center of mass = 52.4211690084 -1.58442645495 -3.70002546918 TCL: atom 1: phi = 0.997604780817 TCL: Center of mass = 52.4246975453 -1.58480053619 -3.70005343997 TCL: atom 1: phi = 0.997864217965 TCL: Center of mass = 52.4282217665 -1.5851723173 -3.70008418318 TCL: atom 1: phi = 0.998167357639 TCL: Center of mass = 52.43175643 -1.58554343193 -3.70010453059 TCL: atom 1: phi = 0.998037477086 TCL: Center of mass = 52.4353092419 -1.58591220857 -3.70012601835 TCL: atom 1: phi = 0.998059148688 TCL: Center of mass = 52.4388584825 -1.58627359596 -3.70014836638 TCL: atom 1: phi = 0.997783829279 TCL: Center of mass = 52.4423996076 -1.58662300854 -3.70017540675 TCL: atom 1: phi = 0.997623380837 TCL: Center of mass = 52.4459444718 -1.58697058194 -3.70021129545 TCL: atom 1: phi = 0.997060954818 TCL: Center of mass = 52.44948319 -1.58731612207 -3.70025424156 TCL: atom 1: phi = 0.99661887784 TCL: Center of mass = 52.4530278221 -1.58766235523 -3.7003073308 TCL: atom 1: phi = 0.995809542974 TCL: Center of mass = 52.4565696046 -1.58802133151 -3.70034831016 TCL: atom 1: phi = 0.995169619367 TCL: Center of mass = 52.4601126559 -1.58838961607 -3.70038642367 TCL: atom 1: phi = 0.994279070514 TCL: Center of mass = 52.4636624021 -1.58876484157 -3.70043256816 TCL: atom 1: phi = 0.993687896921 TCL: Center of mass = 52.4672047196 -1.58914383532 -3.70046422107 TCL: atom 1: phi = 0.993034900498 TCL: Center of mass = 52.4707453571 -1.58952748749 -3.70050736072 TCL: atom 1: phi = 0.992767989617 TCL: Center of mass = 52.4742755201 -1.58992719031 -3.70055534578 TCL: atom 1: phi = 0.9924635235 TCL: Center of mass = 52.4778057687 -1.59032332613 -3.7006182674 TCL: atom 1: phi = 0.992465548134 TCL: Center of mass = 52.481335626 -1.59072147886 -3.7006738544 TCL: atom 1: phi = 0.992313958851 TCL: Center of mass = 52.4848621338 -1.5911077325 -3.70073796161 TCL: atom 1: phi = 0.992338856534 TCL: Center of mass = 52.4883973862 -1.59149536419 -3.70081072842 TCL: atom 1: phi = 0.992158432727 TCL: Center of mass = 52.4919513578 -1.59187220839 -3.70088318645 TCL: atom 1: phi = 0.992100986093 TCL: Center of mass = 52.4955124369 -1.59224662951 -3.70096219868 TCL: atom 1: phi = 0.99183222039 TCL: Center of mass = 52.4990718716 -1.59262821394 -3.70103621057 TCL: atom 1: phi = 0.991706138785 TCL: Center of mass = 52.5026385442 -1.5930099022 -3.70110789827 TCL: atom 1: phi = 0.991478730436 TCL: Center of mass = 52.5062102424 -1.59338241942 -3.70117819802 TCL: atom 1: phi = 0.991461173876 TCL: Center of mass = 52.5097725416 -1.59375720063 -3.70124674001 TCL: atom 1: phi = 0.99142426264 TCL: Center of mass = 52.5133303333 -1.59413820642 -3.70131690691 TCL: atom 1: phi = 0.991604930586 TCL: Center of mass = 52.5168900518 -1.59451762648 -3.70140420002 TCL: atom 1: phi = 0.991708187506 TCL: Center of mass = 52.520451231 -1.59490646156 -3.70148439352 TCL: atom 1: phi = 0.992033144474 TCL: Center of mass = 52.524027186 -1.59529829378 -3.70156080124 TCL: atom 1: phi = 0.992217727902 TCL: Center of mass = 52.5276053655 -1.5956818485 -3.70162855397 TCL: atom 1: phi = 0.992566105321 TCL: Center of mass = 52.5311663981 -1.59606245322 -3.70168951533 TCL: atom 1: phi = 0.992772464645 TCL: Center of mass = 52.5347276875 -1.59644374057 -3.70174460094 TCL: atom 1: phi = 0.993257805122 TCL: Center of mass = 52.538293058 -1.59682788443 -3.70177543641 TCL: atom 1: phi = 0.993742652452 TCL: Center of mass = 52.5418511939 -1.59720175545 -3.70180938236 TCL: atom 1: phi = 0.994586858561 TCL: Center of mass = 52.54540606 -1.59758398817 -3.70183499636 TCL: atom 1: phi = 0.995389815592 TCL: Center of mass = 52.5489592729 -1.59796765513 -3.70185489676 TCL: atom 1: phi = 0.996504201276 TCL: Center of mass = 52.552503163 -1.59834992268 -3.70187822614 TCL: atom 1: phi = 0.997443769431 TCL: Center of mass = 52.5560503787 -1.59871932797 -3.70191017258 TCL: atom 1: phi = 0.998514984209 TCL: Center of mass = 52.5596029039 -1.59909230556 -3.70194546896 TCL: atom 1: phi = 0.999217761498 TCL: Center of mass = 52.5631604733 -1.59946557764 -3.7019831259 TCL: atom 1: phi = 0.999955036735 TCL: Center of mass = 52.5667088987 -1.59982760973 -3.70202470069 TCL: atom 1: phi = 1.00024817906 TCL: Center of mass = 52.5702552103 -1.60019071191 -3.70206448882 TCL: atom 1: phi = 1.00059086603 TCL: Center of mass = 52.5737968811 -1.60055446338 -3.70210701542 TCL: atom 1: phi = 1.0005218456 TCL: Center of mass = 52.577355043 -1.60093043351 -3.70215584204 TCL: atom 1: phi = 1.00060681476 TCL: Center of mass = 52.580911486 -1.60130469905 -3.70220569145 TCL: atom 1: phi = 1.00039078782 TCL: Center of mass = 52.584455956 -1.60167778147 -3.70225064684 TCL: atom 1: phi = 1.00040028908 TCL: Center of mass = 52.588008778 -1.60204458005 -3.70230073466 TCL: atom 1: phi = 1.00012112049 TCL: Center of mass = 52.5915580179 -1.60240995925 -3.70235237395 TCL: atom 1: phi = 1.00007953078 TCL: Center of mass = 52.595112449 -1.60276690986 -3.7024020685 TCL: atom 1: phi = 0.999751580521 TCL: Center of mass = 52.5986679588 -1.60312637576 -3.70245719724 TCL: atom 1: phi = 0.999678124217 TCL: Center of mass = 52.6022327115 -1.60347651709 -3.70250149232 TCL: atom 1: phi = 0.999338870064 TCL: Center of mass = 52.6057953219 -1.60383779009 -3.70253681538 TCL: atom 1: phi = 0.999340443507 TCL: Center of mass = 52.6093660985 -1.60420060288 -3.7025593314 TCL: atom 1: phi = 0.999148162965 TCL: Center of mass = 52.6129394763 -1.60457179952 -3.70258650342 TCL: atom 1: phi = 0.999416183773 TCL: Center of mass = 52.6165104515 -1.60494466807 -3.70262120747 TCL: atom 1: phi = 0.999559087452 TCL: Center of mass = 52.6200791832 -1.60531753016 -3.70266346919 TCL: atom 1: phi = 1.00019074614 TCL: Center of mass = 52.6236528159 -1.60568132174 -3.70271260963 TCL: atom 1: phi = 1.00063796911 TCL: Center of mass = 52.6272191504 -1.60604665118 -3.7027628569 TCL: atom 1: phi = 1.0014290016 TCL: Center of mass = 52.6307782508 -1.6064061293 -3.70280901962 TCL: atom 1: phi = 1.00184768084 TCL: Center of mass = 52.6343322576 -1.60675957469 -3.70284978479 TCL: atom 1: phi = 1.00246674731 TCL: Center of mass = 52.6378778758 -1.60711936639 -3.70288650112 TCL: atom 1: phi = 1.00266160153 TCL: Center of mass = 52.6414210996 -1.60747459911 -3.70291056812 TCL: atom 1: phi = 1.00298122383 TCL: Center of mass = 52.6449610545 -1.60783778646 -3.70293851873 TCL: atom 1: phi = 1.0028041244 TCL: Center of mass = 52.6485135728 -1.60820835728 -3.70296888906 TCL: atom 1: phi = 1.00278446885 TCL: Center of mass = 52.6520776921 -1.60857376986 -3.703000158 TCL: atom 1: phi = 1.0023739365 TCL: Center of mass = 52.6556258904 -1.60894118106 -3.70302655983 TCL: atom 1: phi = 1.00208246435 TCL: Center of mass = 52.6591700217 -1.6093038051 -3.7030533762 TCL: atom 1: phi = 1.00136924999 TCL: Center of mass = 52.6627108927 -1.60966485489 -3.70308603546 TCL: atom 1: phi = 1.00078305679 TCL: Center of mass = 52.6662449624 -1.61001887005 -3.70311187998 TCL: atom 1: phi = 0.999848782416 TCL: Center of mass = 52.6697709243 -1.61037241109 -3.70315297193 TCL: atom 1: phi = 0.999097641272 TCL: Center of mass = 52.6732831235 -1.61073066814 -3.70320107721 TCL: atom 1: phi = 0.998042446617 TCL: Center of mass = 52.6767928744 -1.61109841187 -3.70324977269 TCL: atom 1: phi = 0.997164832389 TCL: Center of mass = 52.6803004507 -1.61146238102 -3.70329181559 TCL: atom 1: phi = 0.995978614247 TCL: Center of mass = 52.6838046941 -1.611822041 -3.70333487944 TCL: atom 1: phi = 0.994939785007 TIMING: 17600 CPU: 3022.62, 0.172944/step Wall: 3695.31, 0.211902/step, 0.141268 hours remaining, 22108 kB of memory in use. ENERGY: 17600 362.0905 701.6980 409.8755 36.8666 -2765.8046 -224.7228 0.0000 0.0000 1222.1151 -257.8818 333.0605 -249.8227 -247.3211 325.5916 1953.8887 1784.6764 64000.0000 1249.0946 1250.8766 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17600 WRITING COORDINATES TO DCD FILE AT STEP 17600 WRITING COORDINATES TO RESTART FILE AT STEP 17600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 52.6873143034 -1.61216340753 -3.70336511416 TCL: atom 1: phi = 0.993613169788 TCL: Center of mass = 52.6908328299 -1.61252354216 -3.70340411311 TCL: atom 1: phi = 0.992472233775 TCL: Center of mass = 52.6943580785 -1.61287679196 -3.70343363431 TCL: atom 1: phi = 0.991168191513 TCL: Center of mass = 52.69787585 -1.61321688145 -3.7034585947 TCL: atom 1: phi = 0.990084520046 TCL: Center of mass = 52.7013953118 -1.6135548082 -3.70348335816 TCL: atom 1: phi = 0.988845701718 TCL: Center of mass = 52.7049116504 -1.6138920242 -3.70350451789 TCL: atom 1: phi = 0.987738777813 TCL: Center of mass = 52.7084319339 -1.61421827653 -3.70353429296 TCL: atom 1: phi = 0.986421715525 TCL: Center of mass = 52.7119569179 -1.61453628208 -3.70356850536 TCL: atom 1: phi = 0.985196943806 TCL: Center of mass = 52.7154761636 -1.61486201994 -3.70359931098 TCL: atom 1: phi = 0.983818274957 TCL: Center of mass = 52.7190132703 -1.61518703715 -3.70363276514 TCL: atom 1: phi = 0.982667408379 TCL: Center of mass = 52.7225580138 -1.61552166676 -3.70367336467 TCL: atom 1: phi = 0.981531483539 TCL: Center of mass = 52.7260989317 -1.61585520957 -3.70371352065 TCL: atom 1: phi = 0.980717074409 TCL: Center of mass = 52.7296455186 -1.61618291005 -3.70375772345 TCL: atom 1: phi = 0.980016691927 TCL: Center of mass = 52.7331958604 -1.6165117297 -3.70379836566 TCL: atom 1: phi = 0.979744817459 TCL: Center of mass = 52.7367289917 -1.616830331 -3.70383855136 TCL: atom 1: phi = 0.979597529228 TCL: Center of mass = 52.7402663642 -1.61715014032 -3.70387375204 TCL: atom 1: phi = 0.979882326156 TCL: Center of mass = 52.7438112665 -1.61746234811 -3.70391934269 TCL: atom 1: phi = 0.980312533187 TCL: Center of mass = 52.7473469101 -1.61776327861 -3.70396242356 TCL: atom 1: phi = 0.98114176324 TCL: Center of mass = 52.7508775182 -1.61807164918 -3.70399736204 TCL: atom 1: phi = 0.982060149713 TCL: Center of mass = 52.7544012115 -1.61837686446 -3.70401861535 TCL: atom 1: phi = 0.983310654663 TCL: Center of mass = 52.7579193874 -1.61867893245 -3.70404343411 TCL: atom 1: phi = 0.984577078228 TCL: Center of mass = 52.7614392809 -1.61898650856 -3.7040724929 TCL: atom 1: phi = 0.986252108541 TCL: Center of mass = 52.7649572722 -1.61929051651 -3.70410649251 TCL: atom 1: phi = 0.987915467574 TCL: Center of mass = 52.7684735922 -1.61958975665 -3.70413648317 TCL: atom 1: phi = 0.989964769863 TCL: Center of mass = 52.7719821588 -1.6198958203 -3.70415735532 TCL: atom 1: phi = 0.991900174207 TCL: Center of mass = 52.7754913437 -1.6202125473 -3.70417091103 TCL: atom 1: phi = 0.994087282393 TCL: Center of mass = 52.7789966134 -1.6205322638 -3.70419062498 TCL: atom 1: phi = 0.996067949851 TCL: Center of mass = 52.7825014145 -1.62086564701 -3.70420600389 TCL: atom 1: phi = 0.998210765907 TCL: Center of mass = 52.7860044658 -1.62120751706 -3.70423405933 TCL: atom 1: phi = 0.999980503652 TCL: Center of mass = 52.7895017273 -1.62153298351 -3.704262894 TCL: atom 1: phi = 1.00178104963 TCL: Center of mass = 52.7929849987 -1.6218610069 -3.70429738802 TCL: atom 1: phi = 1.00310843262 TCL: Center of mass = 52.7964647072 -1.62219455588 -3.70432316408 TCL: atom 1: phi = 1.00457241261 TCL: Center of mass = 52.7999359359 -1.62252761317 -3.7043497043 TCL: atom 1: phi = 1.00557781649 TCL: Center of mass = 52.803410255 -1.62286184369 -3.70437311401 TCL: atom 1: phi = 1.00681877363 TCL: Center of mass = 52.8068736521 -1.62319446658 -3.70441062453 TCL: atom 1: phi = 1.00765016781 TCL: Center of mass = 52.810328555 -1.6235266479 -3.70443114726 TCL: atom 1: phi = 1.00883280316 TCL: Center of mass = 52.8137902778 -1.6238512296 -3.7044487435 TCL: atom 1: phi = 1.00961835775 TCL: Center of mass = 52.8172461234 -1.62417253554 -3.70445759922 TCL: atom 1: phi = 1.01072982449 TCL: Center of mass = 52.8207105701 -1.62449049085 -3.7044630027 TCL: atom 1: phi = 1.01133520297 TCL: Center of mass = 52.8241728518 -1.62480131196 -3.70447615133 TCL: atom 1: phi = 1.01226504668 TCL: Center of mass = 52.8276453636 -1.62509823558 -3.70448045143 TCL: atom 1: phi = 1.01263639171 TCL: Center of mass = 52.8311261027 -1.62539931153 -3.70447968778 TCL: atom 1: phi = 1.0133152153 TCL: Center of mass = 52.8346041003 -1.6256943682 -3.70449616308 TCL: atom 1: phi = 1.01354594723 TCL: Center of mass = 52.8380881006 -1.6259919988 -3.70451209947 TCL: atom 1: phi = 1.0141444059 TCL: Center of mass = 52.8415749749 -1.62630672802 -3.70453434172 TCL: atom 1: phi = 1.01434766982 TCL: Center of mass = 52.8450609155 -1.62661451281 -3.70457028537 TCL: atom 1: phi = 1.01491535562 TCL: Center of mass = 52.8485510765 -1.62693232497 -3.70461809219 TCL: atom 1: phi = 1.01506536554 TCL: Center of mass = 52.8520374457 -1.627247289 -3.70467210858 TCL: atom 1: phi = 1.01544744661 TCL: Center of mass = 52.8555336523 -1.62757769181 -3.70473293904 TCL: atom 1: phi = 1.01534757871 TCL: Center of mass = 52.8590336168 -1.6279028251 -3.70478385362 TCL: atom 1: phi = 1.01543677704 TCL: Center of mass = 52.8625308592 -1.62824315471 -3.70484058525 TCL: atom 1: phi = 1.0151029508 TCL: Center of mass = 52.8660224631 -1.62858581065 -3.70489282812 TCL: atom 1: phi = 1.01496744259 TCL: Center of mass = 52.8695115272 -1.62893361974 -3.70494741948 TCL: atom 1: phi = 1.01452525592 TCL: Center of mass = 52.8730106341 -1.62926567689 -3.70499086373 TCL: atom 1: phi = 1.01443622835 TCL: Center of mass = 52.876511584 -1.629592458 -3.70503775462 TCL: atom 1: phi = 1.01419941504 TCL: Center of mass = 52.8800147142 -1.62992343106 -3.70509639643 TCL: atom 1: phi = 1.01431647984 TCL: Center of mass = 52.8835320882 -1.63026278716 -3.70516753183 TCL: atom 1: phi = 1.01428305481 TCL: Center of mass = 52.8870455058 -1.63059618213 -3.70523945131 TCL: atom 1: phi = 1.0145521554 TCL: Center of mass = 52.8905674713 -1.63092647157 -3.7053144726 TCL: atom 1: phi = 1.01459309815 TCL: Center of mass = 52.8940788678 -1.63125446287 -3.70539152986 TCL: atom 1: phi = 1.01482495754 TCL: Center of mass = 52.8975848344 -1.63157589222 -3.70547113717 TCL: atom 1: phi = 1.01471077649 TCL: Center of mass = 52.9010741323 -1.63189457441 -3.70555639967 TCL: atom 1: phi = 1.01476749749 TCL: Center of mass = 52.9045589511 -1.63220010942 -3.70563791464 TCL: atom 1: phi = 1.01454366278 TCL: Center of mass = 52.9080418011 -1.63251240525 -3.70572930736 TCL: atom 1: phi = 1.01446676522 TCL: Center of mass = 52.911520639 -1.63282498629 -3.70582080429 TCL: atom 1: phi = 1.01412125087 TCL: Center of mass = 52.9149920723 -1.63314163299 -3.70590458518 TCL: atom 1: phi = 1.01392793101 TCL: Center of mass = 52.9184565728 -1.63346715511 -3.70598808309 TCL: atom 1: phi = 1.01353333563 TCL: Center of mass = 52.9219167291 -1.63379145011 -3.70607461479 TCL: atom 1: phi = 1.01331177866 TCL: Center of mass = 52.9253911109 -1.63412177971 -3.70616645093 TCL: atom 1: phi = 1.01284430903 TCL: Center of mass = 52.9288710103 -1.63444884848 -3.70626072519 TCL: atom 1: phi = 1.01244569205 TCL: Center of mass = 52.9323592383 -1.6347692313 -3.70635955428 TCL: atom 1: phi = 1.01175422989 TCL: Center of mass = 52.9358469406 -1.63507789295 -3.70645912785 TCL: atom 1: phi = 1.01112810959 TCL: Center of mass = 52.9393342321 -1.63538328302 -3.70655125441 TCL: atom 1: phi = 1.01033564354 TCL: Center of mass = 52.9428277599 -1.63568766043 -3.70664176921 TCL: atom 1: phi = 1.00969576981 TCL: Center of mass = 52.9463236359 -1.63599258967 -3.70672309071 TCL: atom 1: phi = 1.00900092846 TCL: Center of mass = 52.9498134181 -1.6363006383 -3.70679182917 TCL: atom 1: phi = 1.00859675364 TCL: Center of mass = 52.9533080911 -1.63662199471 -3.7068624866 TCL: atom 1: phi = 1.00821934381 TCL: Center of mass = 52.9568097158 -1.63693514766 -3.70694343184 TCL: atom 1: phi = 1.00816195079 TCL: Center of mass = 52.9603149832 -1.63724014752 -3.70701627511 TCL: atom 1: phi = 1.00809422438 TCL: Center of mass = 52.9638103898 -1.63754208095 -3.70708421251 TCL: atom 1: phi = 1.00828722073 TCL: Center of mass = 52.9673129774 -1.63784043234 -3.70715512404 TCL: atom 1: phi = 1.00850423536 TCL: Center of mass = 52.9708170031 -1.63813562014 -3.70721411578 TCL: atom 1: phi = 1.00899527233 TCL: Center of mass = 52.974309545 -1.63843076242 -3.70728126816 TCL: atom 1: phi = 1.00941965438 TCL: Center of mass = 52.9777969373 -1.63872427545 -3.70735385834 TCL: atom 1: phi = 1.01007792391 TCL: Center of mass = 52.9812844566 -1.63901092862 -3.70741790424 TCL: atom 1: phi = 1.01072723905 TCL: Center of mass = 52.9847738415 -1.63930392451 -3.70747538914 TCL: atom 1: phi = 1.01162700012 TCL: Center of mass = 52.9882669758 -1.6395997995 -3.70752684365 TCL: atom 1: phi = 1.0125109473 TCL: Center of mass = 52.9917538816 -1.63988585148 -3.7075839705 TCL: atom 1: phi = 1.01361776953 TCL: Center of mass = 52.9952388205 -1.64017362534 -3.70763560844 TCL: atom 1: phi = 1.01468208172 TCL: Center of mass = 52.9987177141 -1.64045766842 -3.70768579347 TCL: atom 1: phi = 1.01590016823 TCL: Center of mass = 53.0021908819 -1.64074145772 -3.70774665513 TCL: atom 1: phi = 1.01691756788 TCL: Center of mass = 53.0056670101 -1.64101974304 -3.70780301707 TCL: atom 1: phi = 1.01804804685 TCL: Center of mass = 53.0091512762 -1.64129693469 -3.707850342 TCL: atom 1: phi = 1.0189574382 TCL: Center of mass = 53.0126428019 -1.64157592727 -3.70789213563 TCL: atom 1: phi = 1.02000360924 TCL: Center of mass = 53.0161275495 -1.64184872398 -3.70792230861 TCL: atom 1: phi = 1.02085098176 TCL: Center of mass = 53.019608476 -1.6421229518 -3.70794933229 TCL: atom 1: phi = 1.0218985688 TCL: Center of mass = 53.0230933989 -1.64240038213 -3.70797525351 TCL: atom 1: phi = 1.02270825876 TCL: Center of mass = 53.0265721261 -1.64267626677 -3.70798413751 TCL: atom 1: phi = 1.02374186694 TCL: Center of mass = 53.0300508742 -1.64295224451 -3.70798862007 TCL: atom 1: phi = 1.02451619359 TCL: Center of mass = 53.0335332692 -1.64323132028 -3.70800019341 TCL: atom 1: phi = 1.02546517974 TIMING: 17700 CPU: 3039.88, 0.172514/step Wall: 3716.43, 0.211205/step, 0.134937 hours remaining, 22108 kB of memory in use. ENERGY: 17700 414.2280 688.4450 404.8001 34.0909 -2772.2219 -228.9001 0.0000 0.0000 1203.7774 -255.7806 328.0630 -247.2998 -246.6230 324.2720 822.7465 1313.8048 64000.0000 1070.7571 1077.4206 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17700 WRITING COORDINATES TO DCD FILE AT STEP 17700 WRITING COORDINATES TO RESTART FILE AT STEP 17700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 53.037014307 -1.64350033606 -3.70801441118 TCL: atom 1: phi = 1.02605322391 TCL: Center of mass = 53.0405032607 -1.64377191593 -3.70802090243 TCL: atom 1: phi = 1.0266920448 TCL: Center of mass = 53.0439888652 -1.64405181459 -3.70802434797 TCL: atom 1: phi = 1.0268866886 TCL: Center of mass = 53.0474706546 -1.64432222826 -3.70802623575 TCL: atom 1: phi = 1.02718655493 TCL: Center of mass = 53.0509607021 -1.64458880338 -3.7080411012 TCL: atom 1: phi = 1.02712568441 TCL: Center of mass = 53.0544566288 -1.6448533424 -3.70804913795 TCL: atom 1: phi = 1.02735326021 TCL: Center of mass = 53.0579392211 -1.64511239094 -3.70805217896 TCL: atom 1: phi = 1.02730007194 TCL: Center of mass = 53.0614240233 -1.64536318249 -3.70805718485 TCL: atom 1: phi = 1.02756809781 TCL: Center of mass = 53.064898882 -1.64561213408 -3.70806689438 TCL: atom 1: phi = 1.02752958828 TCL: Center of mass = 53.0683722773 -1.64585125359 -3.70807364024 TCL: atom 1: phi = 1.02771957357 TCL: Center of mass = 53.0718418281 -1.64608862848 -3.70807508486 TCL: atom 1: phi = 1.02757677936 TCL: Center of mass = 53.0753205412 -1.64631041645 -3.70806483726 TCL: atom 1: phi = 1.0276589274 TCL: Center of mass = 53.0787993684 -1.64653039575 -3.70805375722 TCL: atom 1: phi = 1.02744418624 TCL: Center of mass = 53.0822711872 -1.64675903294 -3.70803884942 TCL: atom 1: phi = 1.02750879542 TCL: Center of mass = 53.0857288804 -1.64699157867 -3.70803492434 TCL: atom 1: phi = 1.02735179959 TCL: Center of mass = 53.0891955515 -1.64721768367 -3.70803157143 TCL: atom 1: phi = 1.02759286676 TCL: Center of mass = 53.092659043 -1.64743880038 -3.7080354597 TCL: atom 1: phi = 1.02769320616 TCL: Center of mass = 53.096112234 -1.64766563438 -3.70804028475 TCL: atom 1: phi = 1.02822579724 TCL: Center of mass = 53.0995640158 -1.64789459141 -3.70804644333 TCL: atom 1: phi = 1.02863760737 TCL: Center of mass = 53.1030286698 -1.64812402758 -3.70804735663 TCL: atom 1: phi = 1.02939882267 TCL: Center of mass = 53.1064957724 -1.64834966995 -3.70805465471 TCL: atom 1: phi = 1.02985831997 TCL: Center of mass = 53.1099612243 -1.64855668019 -3.70805526746 TCL: atom 1: phi = 1.03053167994 TCL: Center of mass = 53.1134343236 -1.64877320828 -3.70807203715 TCL: atom 1: phi = 1.03085026829 TCL: Center of mass = 53.1169052008 -1.64898649412 -3.70808229359 TCL: atom 1: phi = 1.03133042203 TCL: Center of mass = 53.1203818219 -1.64920036918 -3.70809595124 TCL: atom 1: phi = 1.0314874573 TCL: Center of mass = 53.1238599465 -1.64942715084 -3.70811375383 TCL: atom 1: phi = 1.03184947278 TCL: Center of mass = 53.1273442437 -1.64965670397 -3.7081281607 TCL: atom 1: phi = 1.03191467135 TCL: Center of mass = 53.1308210416 -1.64988854823 -3.70814819922 TCL: atom 1: phi = 1.03220819258 TCL: Center of mass = 53.1342973668 -1.65010468183 -3.70816774651 TCL: atom 1: phi = 1.03215058366 TCL: Center of mass = 53.1377783816 -1.65032019844 -3.7081817245 TCL: atom 1: phi = 1.03231245193 TCL: Center of mass = 53.1412684318 -1.65053925363 -3.708199026 TCL: atom 1: phi = 1.03210834783 TCL: Center of mass = 53.1447632014 -1.65076394843 -3.70822840738 TCL: atom 1: phi = 1.03205733355 TCL: Center of mass = 53.1482444556 -1.65098674588 -3.70824792213 TCL: atom 1: phi = 1.03156437613 TCL: Center of mass = 53.1517248246 -1.65120715435 -3.70826588062 TCL: atom 1: phi = 1.03116882212 TCL: Center of mass = 53.1552018949 -1.65142941581 -3.70830749036 TCL: atom 1: phi = 1.0303839844 TCL: Center of mass = 53.1586804047 -1.65165019957 -3.70836245615 TCL: atom 1: phi = 1.02981363964 TCL: Center of mass = 53.1621624286 -1.65187466181 -3.70840932657 TCL: atom 1: phi = 1.02903081465 TCL: Center of mass = 53.1656477336 -1.65210196044 -3.70846510712 TCL: atom 1: phi = 1.02855421668 TCL: Center of mass = 53.1691323813 -1.65231977504 -3.70851296645 TCL: atom 1: phi = 1.02799271465 TCL: Center of mass = 53.1726138531 -1.65253182708 -3.70856662619 TCL: atom 1: phi = 1.02779295285 TCL: Center of mass = 53.1760999595 -1.65274718329 -3.70860354577 TCL: atom 1: phi = 1.02744470513 TCL: Center of mass = 53.1795920928 -1.65295862964 -3.70863552345 TCL: atom 1: phi = 1.0273998097 TCL: Center of mass = 53.1830833715 -1.65316860895 -3.70865874151 TCL: atom 1: phi = 1.02715762348 TCL: Center of mass = 53.1865827457 -1.65337943507 -3.70868291722 TCL: atom 1: phi = 1.02713388334 TCL: Center of mass = 53.1900891531 -1.65358375166 -3.70870485591 TCL: atom 1: phi = 1.02688172786 TCL: Center of mass = 53.1935980715 -1.65379992358 -3.70873247127 TCL: atom 1: phi = 1.02690142887 TCL: Center of mass = 53.1971211695 -1.65400734517 -3.70874541176 TCL: atom 1: phi = 1.0267800876 TCL: Center of mass = 53.200641145 -1.65421893889 -3.70875815323 TCL: atom 1: phi = 1.02704083837 TCL: Center of mass = 53.20417173 -1.65443390462 -3.70876942798 TCL: atom 1: phi = 1.02725776154 TCL: Center of mass = 53.2077139754 -1.65464791984 -3.70878136846 TCL: atom 1: phi = 1.02789620755 TCL: Center of mass = 53.2112505296 -1.65485102466 -3.70880049178 TCL: atom 1: phi = 1.02845744666 TCL: Center of mass = 53.2147900453 -1.65504160844 -3.70882925573 TCL: atom 1: phi = 1.02931731595 TCL: Center of mass = 53.218327792 -1.65523151642 -3.70885781486 TCL: atom 1: phi = 1.02997161989 TCL: Center of mass = 53.2218594139 -1.65543216645 -3.70888202269 TCL: atom 1: phi = 1.03084275113 TCL: Center of mass = 53.2253928126 -1.65561619083 -3.70890747856 TCL: atom 1: phi = 1.03141313567 TCL: Center of mass = 53.2289147124 -1.65579926122 -3.70893539237 TCL: atom 1: phi = 1.03222737644 TCL: Center of mass = 53.2324464046 -1.65597652123 -3.70895879189 TCL: atom 1: phi = 1.03273303526 TCL: Center of mass = 53.2359705208 -1.65614772726 -3.70898582431 TCL: atom 1: phi = 1.03347199438 TCL: Center of mass = 53.2394861287 -1.65631204057 -3.70900663503 TCL: atom 1: phi = 1.03394276811 TCL: Center of mass = 53.243006515 -1.65645965852 -3.709021711 TCL: atom 1: phi = 1.03467905026 TCL: Center of mass = 53.2465136267 -1.65660632417 -3.70902670507 TCL: atom 1: phi = 1.03510680726 TCL: Center of mass = 53.250015081 -1.65674825128 -3.70902726227 TCL: atom 1: phi = 1.03565467311 TCL: Center of mass = 53.25352799 -1.65688162519 -3.70903064637 TCL: atom 1: phi = 1.03575152396 TCL: Center of mass = 53.2570376296 -1.65701088045 -3.7090415913 TCL: atom 1: phi = 1.03596971364 TCL: Center of mass = 53.2605506757 -1.6571269859 -3.7090511624 TCL: atom 1: phi = 1.03568914338 TCL: Center of mass = 53.2640640756 -1.65724817697 -3.70905052332 TCL: atom 1: phi = 1.03551020482 TCL: Center of mass = 53.2675737742 -1.65735557974 -3.70904826486 TCL: atom 1: phi = 1.03496845389 TCL: Center of mass = 53.2710806645 -1.65747304119 -3.7090414035 TCL: atom 1: phi = 1.03465592528 TCL: Center of mass = 53.2745873427 -1.657577247 -3.70903590711 TCL: atom 1: phi = 1.03410072526 TCL: Center of mass = 53.2780946711 -1.65769307066 -3.70904349431 TCL: atom 1: phi = 1.0338484961 TCL: Center of mass = 53.2816012945 -1.65781402413 -3.70906129954 TCL: atom 1: phi = 1.03338850898 TCL: Center of mass = 53.2851068383 -1.65794655968 -3.7090843902 TCL: atom 1: phi = 1.03309218272 TCL: Center of mass = 53.2886044509 -1.65806716605 -3.70909991694 TCL: atom 1: phi = 1.03248765162 TCL: Center of mass = 53.292100207 -1.65817961881 -3.70912136507 TCL: atom 1: phi = 1.03208098137 TCL: Center of mass = 53.2955868452 -1.65828814632 -3.70913693418 TCL: atom 1: phi = 1.03134712578 TCL: Center of mass = 53.2990848542 -1.6583836794 -3.70915582884 TCL: atom 1: phi = 1.03083508441 TCL: Center of mass = 53.3025900124 -1.65847572842 -3.70916756369 TCL: atom 1: phi = 1.03006813594 TCL: Center of mass = 53.3060908862 -1.65855655704 -3.709172987 TCL: atom 1: phi = 1.02960226553 TCL: Center of mass = 53.3096063297 -1.65863328565 -3.70916910402 TCL: atom 1: phi = 1.02888919229 TCL: Center of mass = 53.3131225832 -1.65870434122 -3.70916427529 TCL: atom 1: phi = 1.02849169787 TCL: Center of mass = 53.3166360583 -1.65878453847 -3.70914880957 TCL: atom 1: phi = 1.02790786556 TCL: Center of mass = 53.3201498606 -1.65887643899 -3.70913915144 TCL: atom 1: phi = 1.02755840036 TCL: Center of mass = 53.3236655322 -1.6589793755 -3.70913625544 TCL: atom 1: phi = 1.02686444109 TCL: Center of mass = 53.3271679892 -1.6590845134 -3.70913377981 TCL: atom 1: phi = 1.02633768423 TCL: Center of mass = 53.3306661207 -1.65917794893 -3.70913562138 TCL: atom 1: phi = 1.02549422035 TCL: Center of mass = 53.3341722876 -1.6592829569 -3.70913223864 TCL: atom 1: phi = 1.02485045807 TCL: Center of mass = 53.3376808855 -1.65938929557 -3.70911258394 TCL: atom 1: phi = 1.02399456277 TCL: Center of mass = 53.3411920558 -1.65949094746 -3.709086041 TCL: atom 1: phi = 1.02343147913 TCL: Center of mass = 53.344706661 -1.65960581924 -3.70906198487 TCL: atom 1: phi = 1.02271280348 TCL: Center of mass = 53.34821294 -1.65971396031 -3.70904878279 TCL: atom 1: phi = 1.02233806176 TCL: Center of mass = 53.3517164817 -1.65981853191 -3.70903082334 TCL: atom 1: phi = 1.02191365673 TCL: Center of mass = 53.3552252997 -1.65992193631 -3.7090019787 TCL: atom 1: phi = 1.0218364592 TCL: Center of mass = 53.3587261107 -1.66003113046 -3.70896624288 TCL: atom 1: phi = 1.02156994933 TCL: Center of mass = 53.3622380398 -1.66014657729 -3.70892271129 TCL: atom 1: phi = 1.02142104734 TCL: Center of mass = 53.3657343913 -1.66026410208 -3.70888672703 TCL: atom 1: phi = 1.02093418164 TCL: Center of mass = 53.3692357676 -1.66038099043 -3.70886193496 TCL: atom 1: phi = 1.02051024822 TCL: Center of mass = 53.3727312323 -1.66049387254 -3.70884254422 TCL: atom 1: phi = 1.01981619772 TCL: Center of mass = 53.3762301564 -1.66060376943 -3.70881861467 TCL: atom 1: phi = 1.01922619653 TCL: Center of mass = 53.3797347112 -1.66071969985 -3.70879310856 TCL: atom 1: phi = 1.01847784644 TCL: Center of mass = 53.3832361939 -1.66082468079 -3.70876909624 TCL: atom 1: phi = 1.01796441147 TIMING: 17800 CPU: 3057.13, 0.172524/step Wall: 3737.57, 0.211308/step, 0.129133 hours remaining, 22108 kB of memory in use. ENERGY: 17800 427.3835 745.4670 420.4111 48.1348 -2806.5847 -217.2615 0.0000 0.0000 1122.5110 -259.9387 305.9157 -251.4989 -250.6209 323.9668 1179.3927 1601.6274 64000.0000 1217.2282 1215.6284 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17800 WRITING COORDINATES TO DCD FILE AT STEP 17800 WRITING COORDINATES TO RESTART FILE AT STEP 17800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 53.3867462216 -1.66093602062 -3.70874318512 TCL: atom 1: phi = 1.01729177471 TCL: Center of mass = 53.390254128 -1.66103981732 -3.7087233891 TCL: atom 1: phi = 1.0168062973 TCL: Center of mass = 53.3937709563 -1.66114696576 -3.70870804878 TCL: atom 1: phi = 1.01610516403 TCL: Center of mass = 53.3972954748 -1.66123288472 -3.70868346265 TCL: atom 1: phi = 1.01549255247 TCL: Center of mass = 53.4008299434 -1.66131699377 -3.7086635048 TCL: atom 1: phi = 1.01459277103 TCL: Center of mass = 53.4043669577 -1.66141468763 -3.70866396709 TCL: atom 1: phi = 1.01384646076 TCL: Center of mass = 53.4079040003 -1.66150882139 -3.70866164056 TCL: atom 1: phi = 1.01294083662 TCL: Center of mass = 53.4114417484 -1.66160161473 -3.70866399093 TCL: atom 1: phi = 1.01237337125 TCL: Center of mass = 53.4149796545 -1.66169893659 -3.70865805945 TCL: atom 1: phi = 1.01181552836 TCL: Center of mass = 53.4185077 -1.66179123002 -3.70865944072 TCL: atom 1: phi = 1.01170393535 TCL: Center of mass = 53.422035937 -1.66188466522 -3.7086587477 TCL: atom 1: phi = 1.01165947906 TCL: Center of mass = 53.4255663648 -1.66197792596 -3.70865321927 TCL: atom 1: phi = 1.01206616848 TCL: Center of mass = 53.4291033433 -1.66206901081 -3.70864643716 TCL: atom 1: phi = 1.01250777015 TCL: Center of mass = 53.4326468724 -1.66215324328 -3.70864142577 TCL: atom 1: phi = 1.01329391507 TCL: Center of mass = 53.4361946284 -1.66223717362 -3.70862627784 TCL: atom 1: phi = 1.01398132529 TCL: Center of mass = 53.4397454376 -1.66232907615 -3.7086185636 TCL: atom 1: phi = 1.01489455358 TCL: Center of mass = 53.4433011686 -1.6624276211 -3.70861840431 TCL: atom 1: phi = 1.01559075684 TCL: Center of mass = 53.4468530456 -1.6625254748 -3.70861793223 TCL: atom 1: phi = 1.01657476314 TCL: Center of mass = 53.4504072679 -1.66262068583 -3.70862805092 TCL: atom 1: phi = 1.01735649861 TCL: Center of mass = 53.4539595695 -1.66272233582 -3.70862406224 TCL: atom 1: phi = 1.01838416729 TCL: Center of mass = 53.4575164817 -1.6628235755 -3.70862619582 TCL: atom 1: phi = 1.01913927628 TCL: Center of mass = 53.4610802527 -1.66291744031 -3.70863163184 TCL: atom 1: phi = 1.02005219248 TCL: Center of mass = 53.4646310305 -1.66302359418 -3.70864605051 TCL: atom 1: phi = 1.02051106287 TCL: Center of mass = 53.4681816693 -1.66312051674 -3.70866173434 TCL: atom 1: phi = 1.02099559905 TCL: Center of mass = 53.4717382359 -1.66321706498 -3.70867198719 TCL: atom 1: phi = 1.02086939407 TCL: Center of mass = 53.4752900457 -1.66330290414 -3.70868277287 TCL: atom 1: phi = 1.02074615751 TCL: Center of mass = 53.4788331468 -1.66340030183 -3.70870069362 TCL: atom 1: phi = 1.02009354512 TCL: Center of mass = 53.4823628306 -1.66349681874 -3.70871733744 TCL: atom 1: phi = 1.01954069937 TCL: Center of mass = 53.4858947657 -1.66359987028 -3.7087327097 TCL: atom 1: phi = 1.01860506186 TCL: Center of mass = 53.4894387509 -1.66369620685 -3.70875468099 TCL: atom 1: phi = 1.01789125647 TCL: Center of mass = 53.4929775828 -1.66379108948 -3.70877702256 TCL: atom 1: phi = 1.01700049488 TCL: Center of mass = 53.4965109958 -1.66387287034 -3.7087965131 TCL: atom 1: phi = 1.01645134866 TCL: Center of mass = 53.5000496723 -1.6639520292 -3.70882931044 TCL: atom 1: phi = 1.01575163117 TCL: Center of mass = 53.5035829336 -1.66402517365 -3.70885557922 TCL: atom 1: phi = 1.01532278103 TCL: Center of mass = 53.5071261939 -1.66410834783 -3.70887945469 TCL: atom 1: phi = 1.01469223212 TCL: Center of mass = 53.5106730034 -1.66418954341 -3.70890943644 TCL: atom 1: phi = 1.0142676448 TCL: Center of mass = 53.5142230903 -1.66427450609 -3.70892932986 TCL: atom 1: phi = 1.01359873117 TCL: Center of mass = 53.5177737891 -1.66436324128 -3.70894579178 TCL: atom 1: phi = 1.01319203528 TCL: Center of mass = 53.5213308557 -1.66444848722 -3.70895751652 TCL: atom 1: phi = 1.01270121242 TCL: Center of mass = 53.5248986241 -1.66453381765 -3.70897004633 TCL: atom 1: phi = 1.01251426954 TCL: Center of mass = 53.5284684828 -1.66463774207 -3.70899063676 TCL: atom 1: phi = 1.01219048808 TCL: Center of mass = 53.532033675 -1.66474907706 -3.70901902535 TCL: atom 1: phi = 1.01220264949 TCL: Center of mass = 53.5356022536 -1.66485821005 -3.70904732589 TCL: atom 1: phi = 1.01207034662 TCL: Center of mass = 53.5391766804 -1.66496556099 -3.7090843552 TCL: atom 1: phi = 1.01213378776 TCL: Center of mass = 53.5427585668 -1.66507611539 -3.70912363355 TCL: atom 1: phi = 1.01197370316 TCL: Center of mass = 53.5463381472 -1.66518096948 -3.70916632786 TCL: atom 1: phi = 1.01196155178 TCL: Center of mass = 53.5499118617 -1.66529425693 -3.70921180968 TCL: atom 1: phi = 1.01173982543 TCL: Center of mass = 53.5534766106 -1.66539891262 -3.70925042614 TCL: atom 1: phi = 1.01180921844 TCL: Center of mass = 53.557042323 -1.66550639122 -3.70929190094 TCL: atom 1: phi = 1.01180411921 TCL: Center of mass = 53.5606156457 -1.66562007996 -3.70933813513 TCL: atom 1: phi = 1.01225235327 TCL: Center of mass = 53.5641944428 -1.66572159089 -3.70938670496 TCL: atom 1: phi = 1.012752769 TCL: Center of mass = 53.567771673 -1.66583011975 -3.70944124438 TCL: atom 1: phi = 1.01371353711 TCL: Center of mass = 53.5713508336 -1.66593526579 -3.70948898811 TCL: atom 1: phi = 1.01462052198 TCL: Center of mass = 53.5749364452 -1.66604133596 -3.70953226827 TCL: atom 1: phi = 1.01585402891 TCL: Center of mass = 53.5785247869 -1.66615350148 -3.70958044285 TCL: atom 1: phi = 1.01687698059 TCL: Center of mass = 53.5821310257 -1.66627745969 -3.70962996913 TCL: atom 1: phi = 1.01810987238 TCL: Center of mass = 53.5857391023 -1.66639890678 -3.70967916843 TCL: atom 1: phi = 1.01890503903 TCL: Center of mass = 53.5893441431 -1.66652277042 -3.70973174449 TCL: atom 1: phi = 1.01986243078 TCL: Center of mass = 53.5929491375 -1.66664718399 -3.70978825043 TCL: atom 1: phi = 1.02046166535 TCL: Center of mass = 53.596559285 -1.66675967623 -3.70983124017 TCL: atom 1: phi = 1.02128150889 TCL: Center of mass = 53.6001627976 -1.66688204058 -3.70988141656 TCL: atom 1: phi = 1.02173749628 TCL: Center of mass = 53.6037558262 -1.66700679419 -3.70992873635 TCL: atom 1: phi = 1.02239009712 TCL: Center of mass = 53.6073428342 -1.66714548493 -3.70997974507 TCL: atom 1: phi = 1.02269491422 TCL: Center of mass = 53.6109389332 -1.66729104938 -3.71002245136 TCL: atom 1: phi = 1.02314090066 TCL: Center of mass = 53.6145234674 -1.66742454291 -3.71006628717 TCL: atom 1: phi = 1.02306798952 TCL: Center of mass = 53.6181071813 -1.66756098537 -3.71012311755 TCL: atom 1: phi = 1.02312534497 TCL: Center of mass = 53.6216921114 -1.66770162033 -3.71017040439 TCL: atom 1: phi = 1.02275566918 TCL: Center of mass = 53.6252835343 -1.6678491028 -3.71021264199 TCL: atom 1: phi = 1.02255119941 TCL: Center of mass = 53.6288733855 -1.66799880739 -3.71025437617 TCL: atom 1: phi = 1.02201762552 TCL: Center of mass = 53.6324708661 -1.66815147513 -3.71029958861 TCL: atom 1: phi = 1.02177551712 TCL: Center of mass = 53.6360576655 -1.66830563711 -3.71034273303 TCL: atom 1: phi = 1.02141880802 TCL: Center of mass = 53.639645766 -1.6684512885 -3.71039096384 TCL: atom 1: phi = 1.02144168611 TCL: Center of mass = 53.6432317926 -1.66858484293 -3.71044981571 TCL: atom 1: phi = 1.02134995863 TCL: Center of mass = 53.6468209911 -1.66870954157 -3.71051713811 TCL: atom 1: phi = 1.02158039633 TCL: Center of mass = 53.6504127846 -1.66883307213 -3.71057067935 TCL: atom 1: phi = 1.02159734542 TCL: Center of mass = 53.6540009873 -1.6689517158 -3.71063716784 TCL: atom 1: phi = 1.02180671247 TCL: Center of mass = 53.6575643654 -1.66906119449 -3.7107174615 TCL: atom 1: phi = 1.02168709477 TCL: Center of mass = 53.6611176172 -1.66916566491 -3.71079839655 TCL: atom 1: phi = 1.02172160235 TCL: Center of mass = 53.6646713937 -1.66927830019 -3.71087803345 TCL: atom 1: phi = 1.02147560598 TCL: Center of mass = 53.6682300169 -1.66940775293 -3.71094375553 TCL: atom 1: phi = 1.02148642756 TCL: Center of mass = 53.6718025776 -1.6695359889 -3.71101002606 TCL: atom 1: phi = 1.0212972366 TCL: Center of mass = 53.6753712084 -1.66966893615 -3.71107541098 TCL: atom 1: phi = 1.02139028635 TCL: Center of mass = 53.6789266688 -1.66979773802 -3.71114121256 TCL: atom 1: phi = 1.02128706574 TCL: Center of mass = 53.6824805251 -1.6699330595 -3.71120504419 TCL: atom 1: phi = 1.02138905212 TCL: Center of mass = 53.6860348653 -1.67005687371 -3.71127629053 TCL: atom 1: phi = 1.02129454847 TCL: Center of mass = 53.6896009233 -1.67019017705 -3.71135260813 TCL: atom 1: phi = 1.0213580814 TCL: Center of mass = 53.6931697659 -1.67032779138 -3.71142969769 TCL: atom 1: phi = 1.02118099409 TCL: Center of mass = 53.6967427449 -1.67044737477 -3.71151597377 TCL: atom 1: phi = 1.02118876828 TCL: Center of mass = 53.7003065998 -1.67056293741 -3.71160361701 TCL: atom 1: phi = 1.02103678025 TCL: Center of mass = 53.7038685051 -1.6706663224 -3.71170956852 TCL: atom 1: phi = 1.02119392778 TCL: Center of mass = 53.7074348549 -1.67077410372 -3.71181807212 TCL: atom 1: phi = 1.02132665005 TCL: Center of mass = 53.7110070832 -1.67088050431 -3.71193245374 TCL: atom 1: phi = 1.02182558838 TCL: Center of mass = 53.7145981236 -1.67099052612 -3.71203769564 TCL: atom 1: phi = 1.02223221973 TCL: Center of mass = 53.7181857082 -1.67109891206 -3.71212647675 TCL: atom 1: phi = 1.02299419844 TCL: Center of mass = 53.7217684809 -1.67119566252 -3.71221644048 TCL: atom 1: phi = 1.0235780007 TCL: Center of mass = 53.7253623574 -1.67128917979 -3.71229137646 TCL: atom 1: phi = 1.02435987394 TCL: Center of mass = 53.7289642958 -1.67138398372 -3.71235430302 TCL: atom 1: phi = 1.0247602732 TCL: Center of mass = 53.7325608375 -1.67147041901 -3.71240390407 TCL: atom 1: phi = 1.02521103384 TCL: Center of mass = 53.7361590278 -1.67156849022 -3.7124610475 TCL: atom 1: phi = 1.02527278449 TCL: Center of mass = 53.7397582024 -1.67166706277 -3.71252932854 TCL: atom 1: phi = 1.02542063682 TIMING: 17900 CPU: 3074.39, 0.172654/step Wall: 3758.7, 0.211372/step, 0.1233 hours remaining, 22108 kB of memory in use. ENERGY: 17900 399.6086 691.7904 407.2108 48.6007 -2782.4322 -223.0704 0.0000 0.0000 1203.4627 -254.8295 327.9772 -246.1322 -246.3250 325.6664 1445.5046 1462.9387 64000.0000 1280.6984 1276.9678 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 17900 WRITING COORDINATES TO DCD FILE AT STEP 17900 WRITING COORDINATES TO RESTART FILE AT STEP 17900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 17900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 53.7433495532 -1.67178135072 -3.71260959921 TCL: atom 1: phi = 1.02515955299 TCL: Center of mass = 53.7469399592 -1.67189845724 -3.7126878815 TCL: atom 1: phi = 1.02506653551 TCL: Center of mass = 53.7505305631 -1.67201496877 -3.7127641524 TCL: atom 1: phi = 1.0247572196 TCL: Center of mass = 53.7541192804 -1.67213154543 -3.71282453493 TCL: atom 1: phi = 1.0246550388 TCL: Center of mass = 53.7577050139 -1.67224261564 -3.71287800392 TCL: atom 1: phi = 1.02424918125 TCL: Center of mass = 53.7612918181 -1.67235554703 -3.71292595576 TCL: atom 1: phi = 1.02400701539 TCL: Center of mass = 53.7648856733 -1.67247320401 -3.71297683067 TCL: atom 1: phi = 1.02351835984 TCL: Center of mass = 53.7684841052 -1.67260462211 -3.71303662557 TCL: atom 1: phi = 1.02326009908 TCL: Center of mass = 53.7720756096 -1.67273718157 -3.71309476824 TCL: atom 1: phi = 1.02277881115 TCL: Center of mass = 53.7756675325 -1.67286903551 -3.71314853468 TCL: atom 1: phi = 1.02257708779 TCL: Center of mass = 53.7792595632 -1.67302090924 -3.71320228409 TCL: atom 1: phi = 1.02234048233 TCL: Center of mass = 53.7828371046 -1.67317813309 -3.71326435019 TCL: atom 1: phi = 1.02247998904 TCL: Center of mass = 53.7864162477 -1.67333073347 -3.7133296719 TCL: atom 1: phi = 1.02259916699 TCL: Center of mass = 53.7900004717 -1.67347465885 -3.71340567901 TCL: atom 1: phi = 1.02304140098 TCL: Center of mass = 53.793573818 -1.67362268153 -3.71348982283 TCL: atom 1: phi = 1.02339500387 TCL: Center of mass = 53.7971586851 -1.67376687259 -3.71358654647 TCL: atom 1: phi = 1.02394716114 TCL: Center of mass = 53.8007531158 -1.67390929168 -3.71367326642 TCL: atom 1: phi = 1.02424681351 TCL: Center of mass = 53.80434183 -1.67404682682 -3.71376344165 TCL: atom 1: phi = 1.02461040023 TCL: Center of mass = 53.807932126 -1.67418399326 -3.71386620742 TCL: atom 1: phi = 1.02465154683 TCL: Center of mass = 53.8115154377 -1.67432303914 -3.7139731027 TCL: atom 1: phi = 1.02472785902 TCL: Center of mass = 53.8151021432 -1.67445187563 -3.71407935621 TCL: atom 1: phi = 1.02449998018 TCL: Center of mass = 53.8186960982 -1.67458569184 -3.71419720948 TCL: atom 1: phi = 1.02444429472 TCL: Center of mass = 53.8222879156 -1.67472340701 -3.71431380931 TCL: atom 1: phi = 1.02413077956 TCL: Center of mass = 53.8258794465 -1.674872182 -3.71441530316 TCL: atom 1: phi = 1.02403773249 TCL: Center of mass = 53.8294738861 -1.67503231784 -3.71451145558 TCL: atom 1: phi = 1.0237087775 TCL: Center of mass = 53.8330682612 -1.67519169349 -3.71460602288 TCL: atom 1: phi = 1.02353265509 TCL: Center of mass = 53.8366618412 -1.67535305878 -3.71469888779 TCL: atom 1: phi = 1.02313872553 TCL: Center of mass = 53.8402414985 -1.67552443509 -3.71478202827 TCL: atom 1: phi = 1.02293878516 TCL: Center of mass = 53.8438185541 -1.67569015703 -3.71486666085 TCL: atom 1: phi = 1.02254955392 TCL: Center of mass = 53.8474055556 -1.67586413977 -3.71494504069 TCL: atom 1: phi = 1.02238503223 TCL: Center of mass = 53.8509992309 -1.67602479578 -3.71501766046 TCL: atom 1: phi = 1.02212891121 TCL: Center of mass = 53.8546002072 -1.6761927197 -3.71509029483 TCL: atom 1: phi = 1.02220673107 TCL: Center of mass = 53.858203829 -1.67636222798 -3.71516612972 TCL: atom 1: phi = 1.02224280946 TCL: Center of mass = 53.8618079102 -1.67652555732 -3.71523791109 TCL: atom 1: phi = 1.02261483221 TCL: Center of mass = 53.8654012365 -1.67669260823 -3.71532018086 TCL: atom 1: phi = 1.02287526369 TCL: Center of mass = 53.8689793147 -1.67684951316 -3.7153939153 TCL: atom 1: phi = 1.02339116097 TCL: Center of mass = 53.8725550212 -1.67701178877 -3.71548029894 TCL: atom 1: phi = 1.02368146726 TCL: Center of mass = 53.8761265645 -1.67718314526 -3.71555822418 TCL: atom 1: phi = 1.02405192416 TCL: Center of mass = 53.8797045092 -1.67735328829 -3.71563490518 TCL: atom 1: phi = 1.02415348397 TCL: Center of mass = 53.8832765251 -1.67753238038 -3.71572987911 TCL: atom 1: phi = 1.0243589004 TCL: Center of mass = 53.8868600995 -1.67770522212 -3.71580935254 TCL: atom 1: phi = 1.02426259158 TCL: Center of mass = 53.8904479393 -1.67787513769 -3.71589120818 TCL: atom 1: phi = 1.0243237537 TCL: Center of mass = 53.8940390041 -1.67804429582 -3.71597681623 TCL: atom 1: phi = 1.02417962164 TCL: Center of mass = 53.8976137624 -1.67821978775 -3.71606115421 TCL: atom 1: phi = 1.02425722584 TCL: Center of mass = 53.9011895421 -1.67840111294 -3.71615406175 TCL: atom 1: phi = 1.02420019622 TCL: Center of mass = 53.9047715758 -1.6785762605 -3.71624140225 TCL: atom 1: phi = 1.02437818098 TCL: Center of mass = 53.9083552958 -1.67875308538 -3.71633466575 TCL: atom 1: phi = 1.02432790765 TCL: Center of mass = 53.9119382657 -1.67892857865 -3.71642865641 TCL: atom 1: phi = 1.02443432173 TCL: Center of mass = 53.9155175817 -1.67909362696 -3.71651669399 TCL: atom 1: phi = 1.02428520123 TCL: Center of mass = 53.9191031625 -1.6792523676 -3.71661037406 TCL: atom 1: phi = 1.02429068064 TCL: Center of mass = 53.9226985896 -1.67939600592 -3.71670952809 TCL: atom 1: phi = 1.02405885548 TCL: Center of mass = 53.9262906977 -1.67954822596 -3.71680738678 TCL: atom 1: phi = 1.02404282581 TCL: Center of mass = 53.9298948115 -1.67969113531 -3.71689798611 TCL: atom 1: phi = 1.02390680374 TCL: Center of mass = 53.9335039275 -1.67983787113 -3.71699448696 TCL: atom 1: phi = 1.02403048505 TCL: Center of mass = 53.9371120547 -1.67998813336 -3.7170893684 TCL: atom 1: phi = 1.02402967186 TCL: Center of mass = 53.9407227237 -1.68014847724 -3.71718742803 TCL: atom 1: phi = 1.02423708031 TCL: Center of mass = 53.9443336655 -1.68029694585 -3.71727788518 TCL: atom 1: phi = 1.02420010488 TCL: Center of mass = 53.9479424398 -1.68043070747 -3.71738071147 TCL: atom 1: phi = 1.02423996062 TCL: Center of mass = 53.9515433756 -1.68055460122 -3.71747536576 TCL: atom 1: phi = 1.02390959755 TCL: Center of mass = 53.9551376921 -1.68067461146 -3.71757351315 TCL: atom 1: phi = 1.02358735385 TCL: Center of mass = 53.9587373287 -1.68080103845 -3.7176615734 TCL: atom 1: phi = 1.02291750393 TCL: Center of mass = 53.9623444572 -1.68092180309 -3.71775104521 TCL: atom 1: phi = 1.022321374 TCL: Center of mass = 53.9659524816 -1.68104338176 -3.71784812546 TCL: atom 1: phi = 1.02158824514 TCL: Center of mass = 53.9695426215 -1.68117078582 -3.71795718595 TCL: atom 1: phi = 1.02110720568 TCL: Center of mass = 53.9731566161 -1.68130115685 -3.71805815551 TCL: atom 1: phi = 1.02063896076 TCL: Center of mass = 53.9767688654 -1.6814195187 -3.71814819955 TCL: atom 1: phi = 1.0205057766 TCL: Center of mass = 53.9803848036 -1.68153254755 -3.71824509647 TCL: atom 1: phi = 1.02023650885 TCL: Center of mass = 53.9839964768 -1.68164440117 -3.71835108659 TCL: atom 1: phi = 1.02023417481 TCL: Center of mass = 53.9876075262 -1.68175728161 -3.71845221484 TCL: atom 1: phi = 1.02010743425 TCL: Center of mass = 53.991218416 -1.68186194346 -3.71854702492 TCL: atom 1: phi = 1.02027226805 TCL: Center of mass = 53.994832079 -1.68195407652 -3.71863906037 TCL: atom 1: phi = 1.0203478194 TCL: Center of mass = 53.9984357046 -1.68204850597 -3.71872742427 TCL: atom 1: phi = 1.02072497837 TCL: Center of mass = 54.0020448572 -1.68214701127 -3.71881133453 TCL: atom 1: phi = 1.02105995905 TCL: Center of mass = 54.0056584553 -1.68225227857 -3.71889813211 TCL: atom 1: phi = 1.02170649205 TCL: Center of mass = 54.0092633591 -1.68234712456 -3.71898437156 TCL: atom 1: phi = 1.02229695951 TCL: Center of mass = 54.0128567473 -1.6824415282 -3.71907728518 TCL: atom 1: phi = 1.0231348617 TCL: Center of mass = 54.016447345 -1.68253836112 -3.7191696725 TCL: atom 1: phi = 1.02375936425 TCL: Center of mass = 54.0200311821 -1.68263126246 -3.71926450433 TCL: atom 1: phi = 1.02452909198 TCL: Center of mass = 54.0236246904 -1.68272333332 -3.71937025837 TCL: atom 1: phi = 1.02493740187 TCL: Center of mass = 54.0272201137 -1.68282404388 -3.71947429233 TCL: atom 1: phi = 1.02535687805 TCL: Center of mass = 54.030826294 -1.68292802614 -3.71957474079 TCL: atom 1: phi = 1.02541032437 TCL: Center of mass = 54.0344357925 -1.68303768918 -3.71966022017 TCL: atom 1: phi = 1.02554690535 TCL: Center of mass = 54.0380472254 -1.68314981278 -3.71973992983 TCL: atom 1: phi = 1.02538689783 TCL: Center of mass = 54.0416551642 -1.68326891423 -3.71980753296 TCL: atom 1: phi = 1.02540692141 TCL: Center of mass = 54.045286137 -1.6833906229 -3.719875181 TCL: atom 1: phi = 1.02527601013 TCL: Center of mass = 54.0489105884 -1.68350515593 -3.71994314712 TCL: atom 1: phi = 1.02538849381 TCL: Center of mass = 54.0525294491 -1.68363155218 -3.72001283364 TCL: atom 1: phi = 1.02536469995 TCL: Center of mass = 54.0561517867 -1.68376200329 -3.72008008031 TCL: atom 1: phi = 1.02555356348 TCL: Center of mass = 54.0597706994 -1.68390319842 -3.72015104126 TCL: atom 1: phi = 1.02554461269 TCL: Center of mass = 54.0633731505 -1.6840521848 -3.72022362433 TCL: atom 1: phi = 1.02568128561 TCL: Center of mass = 54.0669786787 -1.6842032097 -3.72029288649 TCL: atom 1: phi = 1.02562925397 TCL: Center of mass = 54.0705839081 -1.68436584541 -3.72036393511 TCL: atom 1: phi = 1.02573873531 TCL: Center of mass = 54.0741821445 -1.68453227629 -3.72044138245 TCL: atom 1: phi = 1.02567421643 TCL: Center of mass = 54.0777855615 -1.68469797022 -3.72051609712 TCL: atom 1: phi = 1.02582052504 TCL: Center of mass = 54.0813866007 -1.6848699607 -3.72058925283 TCL: atom 1: phi = 1.02589833931 TCL: Center of mass = 54.0849972867 -1.68503895651 -3.72065419129 TCL: atom 1: phi = 1.02620198463 TCL: Center of mass = 54.0886122654 -1.68521556118 -3.72071701508 TCL: atom 1: phi = 1.02634679727 TCL: Center of mass = 54.0922270676 -1.6854021442 -3.72078421188 TCL: atom 1: phi = 1.02663218096 TCL: Center of mass = 54.0958377149 -1.68558847744 -3.72086845152 TCL: atom 1: phi = 1.02662126363 TCL: Center of mass = 54.0994548414 -1.685777373 -3.72095923717 TCL: atom 1: phi = 1.02665327801 TIMING: 18000 CPU: 3091.66, 0.172624/step Wall: 3779.92, 0.212183/step, 0.117879 hours remaining, 22108 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 18000 392.5592 712.5334 410.7085 51.9267 -2790.1588 -200.5245 0.0000 0.0000 1153.5560 -269.3995 314.3763 -260.3426 -261.6242 324.1632 1662.6864 1632.2003 64000.0000 1287.8688 1292.0307 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18000 WRITING COORDINATES TO DCD FILE AT STEP 18000 WRITING COORDINATES TO RESTART FILE AT STEP 18000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 54.1030720805 -1.68596254991 -3.72105134613 TCL: atom 1: phi = 1.02634901512 TCL: Center of mass = 54.1066962023 -1.68612435881 -3.72114643737 TCL: atom 1: phi = 1.02611608378 TCL: Center of mass = 54.1103098109 -1.68629146824 -3.72123231147 TCL: atom 1: phi = 1.02559934774 TCL: Center of mass = 54.113924323 -1.68645131491 -3.72132058609 TCL: atom 1: phi = 1.02522144326 TCL: Center of mass = 54.1175427249 -1.68661738379 -3.72141599676 TCL: atom 1: phi = 1.02467576513 TCL: Center of mass = 54.1211648113 -1.6867874087 -3.72151534132 TCL: atom 1: phi = 1.0243771596 TCL: Center of mass = 54.1247873075 -1.68696055888 -3.7216296399 TCL: atom 1: phi = 1.02397388201 TCL: Center of mass = 54.1284046356 -1.68713196179 -3.72173504889 TCL: atom 1: phi = 1.02378978067 TCL: Center of mass = 54.1320463425 -1.68729726885 -3.72184649444 TCL: atom 1: phi = 1.02344141483 TCL: Center of mass = 54.1356743064 -1.68748562177 -3.72193864066 TCL: atom 1: phi = 1.02328364522 TCL: Center of mass = 54.1393019141 -1.68767314786 -3.72202349347 TCL: atom 1: phi = 1.02292339738 TCL: Center of mass = 54.1429213413 -1.68785793233 -3.72211720894 TCL: atom 1: phi = 1.02277619045 TCL: Center of mass = 54.1465305631 -1.68804544555 -3.72221686555 TCL: atom 1: phi = 1.02251575844 TCL: Center of mass = 54.1501506847 -1.6882264464 -3.7223042004 TCL: atom 1: phi = 1.02255119542 TCL: Center of mass = 54.1537651586 -1.68840907119 -3.7223914162 TCL: atom 1: phi = 1.02251810305 TCL: Center of mass = 54.1573795105 -1.68857627553 -3.72247079645 TCL: atom 1: phi = 1.0227840581 TCL: Center of mass = 54.1609902024 -1.68874170728 -3.722540062 TCL: atom 1: phi = 1.02292032039 TCL: Center of mass = 54.1646183621 -1.68891053751 -3.72260114002 TCL: atom 1: phi = 1.0232497734 TCL: Center of mass = 54.1682404258 -1.68909324658 -3.72267363387 TCL: atom 1: phi = 1.0233523763 TCL: Center of mass = 54.1718660875 -1.68927577961 -3.72274688912 TCL: atom 1: phi = 1.02356236223 TCL: Center of mass = 54.175492069 -1.6894546024 -3.72281800328 TCL: atom 1: phi = 1.02342824688 TCL: Center of mass = 54.1791194033 -1.68963307036 -3.72288030523 TCL: atom 1: phi = 1.02336538142 TCL: Center of mass = 54.182738325 -1.68981937953 -3.72293446929 TCL: atom 1: phi = 1.02295398428 TCL: Center of mass = 54.1863531142 -1.69001456602 -3.72298366997 TCL: atom 1: phi = 1.02271099017 TCL: Center of mass = 54.1899588809 -1.69020160601 -3.72303403293 TCL: atom 1: phi = 1.02222966019 TCL: Center of mass = 54.1935589708 -1.69039217253 -3.72308085306 TCL: atom 1: phi = 1.02198327415 TCL: Center of mass = 54.1971650162 -1.69057642582 -3.72313343426 TCL: atom 1: phi = 1.02159212603 TCL: Center of mass = 54.200766406 -1.69075509747 -3.72318369801 TCL: atom 1: phi = 1.02143550416 TCL: Center of mass = 54.2043607563 -1.6909249989 -3.72323459924 TCL: atom 1: phi = 1.02113844609 TCL: Center of mass = 54.2079523032 -1.69110291629 -3.72329110307 TCL: atom 1: phi = 1.0210372611 TCL: Center of mass = 54.2115512878 -1.69127913131 -3.72334405454 TCL: atom 1: phi = 1.02072633588 TCL: Center of mass = 54.2151464875 -1.69145357098 -3.7233920763 TCL: atom 1: phi = 1.02057125788 TCL: Center of mass = 54.2187507191 -1.69163381459 -3.72344675452 TCL: atom 1: phi = 1.02023763315 TCL: Center of mass = 54.2223545877 -1.69181310954 -3.72350205753 TCL: atom 1: phi = 1.02012196569 TCL: Center of mass = 54.225962665 -1.69200269642 -3.72356391047 TCL: atom 1: phi = 1.01988702156 TCL: Center of mass = 54.2295648259 -1.69219154077 -3.72363315403 TCL: atom 1: phi = 1.01987045909 TCL: Center of mass = 54.2331653451 -1.69239376442 -3.72371076589 TCL: atom 1: phi = 1.01976713695 TCL: Center of mass = 54.2367797418 -1.69260596042 -3.72378528883 TCL: atom 1: phi = 1.01993382613 TCL: Center of mass = 54.240396365 -1.69282264116 -3.72384990984 TCL: atom 1: phi = 1.0199043896 TCL: Center of mass = 54.2440046054 -1.69305341996 -3.72391761802 TCL: atom 1: phi = 1.02002921333 TCL: Center of mass = 54.2476129535 -1.69328043907 -3.72398010976 TCL: atom 1: phi = 1.01989986449 TCL: Center of mass = 54.251220412 -1.69351048827 -3.72404756484 TCL: atom 1: phi = 1.01985177964 TCL: Center of mass = 54.2548243992 -1.693735324 -3.72412383143 TCL: atom 1: phi = 1.01947601623 TCL: Center of mass = 54.2584357806 -1.69395980319 -3.72419707911 TCL: atom 1: phi = 1.01922776029 TCL: Center of mass = 54.2620381162 -1.69417244984 -3.72426426369 TCL: atom 1: phi = 1.01879885121 TCL: Center of mass = 54.2656459004 -1.69439280034 -3.72433636985 TCL: atom 1: phi = 1.01862900505 TCL: Center of mass = 54.2692505066 -1.69462269896 -3.72440067406 TCL: atom 1: phi = 1.01838806606 TCL: Center of mass = 54.2728649669 -1.69484770416 -3.72447285189 TCL: atom 1: phi = 1.01843176849 TCL: Center of mass = 54.2764858328 -1.69508237417 -3.72453512091 TCL: atom 1: phi = 1.01830427422 TCL: Center of mass = 54.2801062966 -1.69532100982 -3.72459934715 TCL: atom 1: phi = 1.01836790754 TCL: Center of mass = 54.2837271882 -1.69556607287 -3.72465193021 TCL: atom 1: phi = 1.01824608173 TCL: Center of mass = 54.2873450295 -1.69581061052 -3.72469294641 TCL: atom 1: phi = 1.01827842956 TCL: Center of mass = 54.2909729913 -1.69606281295 -3.72473541857 TCL: atom 1: phi = 1.01811034644 TCL: Center of mass = 54.2946021972 -1.69632804027 -3.72477307268 TCL: atom 1: phi = 1.01811727304 TCL: Center of mass = 54.2982362323 -1.69660492228 -3.72481053005 TCL: atom 1: phi = 1.01799140514 TCL: Center of mass = 54.3018727944 -1.69688965595 -3.72483033962 TCL: atom 1: phi = 1.01817038949 TCL: Center of mass = 54.3055173254 -1.69717678253 -3.72484213407 TCL: atom 1: phi = 1.018314866 TCL: Center of mass = 54.3091647091 -1.69746144335 -3.72485874247 TCL: atom 1: phi = 1.01878561094 TCL: Center of mass = 54.312817745 -1.69773860761 -3.72486862787 TCL: atom 1: phi = 1.01922195139 TCL: Center of mass = 54.316466187 -1.69801609468 -3.72487155705 TCL: atom 1: phi = 1.01987116959 TCL: Center of mass = 54.3201182341 -1.69829172147 -3.7248674431 TCL: atom 1: phi = 1.02034017741 TCL: Center of mass = 54.323764332 -1.69858256922 -3.72486258617 TCL: atom 1: phi = 1.02094999299 TCL: Center of mass = 54.3274087147 -1.69888023316 -3.72485969513 TCL: atom 1: phi = 1.0213144889 TCL: Center of mass = 54.331069496 -1.69917870584 -3.72485596509 TCL: atom 1: phi = 1.02185122676 TCL: Center of mass = 54.3347160786 -1.69947098646 -3.72485033007 TCL: atom 1: phi = 1.02218488429 TCL: Center of mass = 54.3383756316 -1.69976075041 -3.72485036586 TCL: atom 1: phi = 1.02281428226 TCL: Center of mass = 54.3420215973 -1.70005934275 -3.72485655372 TCL: atom 1: phi = 1.02335629813 TCL: Center of mass = 54.345660562 -1.70034631918 -3.72486426863 TCL: atom 1: phi = 1.02422689042 TCL: Center of mass = 54.349308228 -1.70064318839 -3.72487156663 TCL: atom 1: phi = 1.02498190666 TCL: Center of mass = 54.3529552514 -1.70094348907 -3.72487726338 TCL: atom 1: phi = 1.02596848159 TCL: Center of mass = 54.3566020718 -1.70123379057 -3.72488022436 TCL: atom 1: phi = 1.02672899955 TCL: Center of mass = 54.3602536797 -1.70153068167 -3.72489242063 TCL: atom 1: phi = 1.02761931981 TCL: Center of mass = 54.3639120565 -1.70182985989 -3.72490456716 TCL: atom 1: phi = 1.02816880954 TCL: Center of mass = 54.3675595387 -1.70212112049 -3.72492916699 TCL: atom 1: phi = 1.02885831325 TCL: Center of mass = 54.3712002148 -1.70240373365 -3.72494647512 TCL: atom 1: phi = 1.0292459601 TCL: Center of mass = 54.3748398416 -1.70269223668 -3.72496340501 TCL: atom 1: phi = 1.02980290837 TCL: Center of mass = 54.3784771772 -1.70297410981 -3.72498568257 TCL: atom 1: phi = 1.03013076992 TCL: Center of mass = 54.3821111378 -1.70326242218 -3.72500772878 TCL: atom 1: phi = 1.03065992314 TCL: Center of mass = 54.3857420881 -1.70354709171 -3.72503103997 TCL: atom 1: phi = 1.03095819393 TCL: Center of mass = 54.3893786241 -1.7038259358 -3.72506519857 TCL: atom 1: phi = 1.03143581764 TCL: Center of mass = 54.393015609 -1.70411006305 -3.72511217623 TCL: atom 1: phi = 1.03160486496 TCL: Center of mass = 54.3966469441 -1.70438273822 -3.72516591886 TCL: atom 1: phi = 1.03193228149 TCL: Center of mass = 54.4002825935 -1.70466563693 -3.72522456259 TCL: atom 1: phi = 1.03195161219 TCL: Center of mass = 54.4039187044 -1.70495609132 -3.72526523952 TCL: atom 1: phi = 1.03214793422 TCL: Center of mass = 54.4075533928 -1.70524371841 -3.72530504291 TCL: atom 1: phi = 1.03206037492 TCL: Center of mass = 54.4111888431 -1.70551843678 -3.72533885755 TCL: atom 1: phi = 1.03223808748 TCL: Center of mass = 54.4148109151 -1.70579925263 -3.72537398277 TCL: atom 1: phi = 1.03225648795 TCL: Center of mass = 54.4184301346 -1.70609580707 -3.72541142522 TCL: atom 1: phi = 1.03263040746 TCL: Center of mass = 54.4220600817 -1.70638131738 -3.72544852875 TCL: atom 1: phi = 1.03291098203 TCL: Center of mass = 54.4256932766 -1.70667008013 -3.72548718547 TCL: atom 1: phi = 1.03354599298 TCL: Center of mass = 54.4293309921 -1.7069590985 -3.72552228412 TCL: atom 1: phi = 1.03405386191 TCL: Center of mass = 54.4329590797 -1.70725026067 -3.72556377068 TCL: atom 1: phi = 1.03480926076 TCL: Center of mass = 54.4365898534 -1.70754013679 -3.72560721991 TCL: atom 1: phi = 1.03525854359 TCL: Center of mass = 54.4402168997 -1.70783812685 -3.72564566122 TCL: atom 1: phi = 1.03595488689 TCL: Center of mass = 54.4438502785 -1.70814212705 -3.72567824723 TCL: atom 1: phi = 1.03637092089 TCL: Center of mass = 54.4474766359 -1.70844733206 -3.7257201327 TCL: atom 1: phi = 1.03702195573 TCL: Center of mass = 54.4510999188 -1.70876041023 -3.72576118113 TCL: atom 1: phi = 1.03738311529 TCL: Center of mass = 54.4547236137 -1.70907053883 -3.72580197995 TCL: atom 1: phi = 1.03797680996 TCL: Center of mass = 54.4583402035 -1.70936865787 -3.72583231428 TCL: atom 1: phi = 1.03827563099 TCL: Center of mass = 54.461960013 -1.7096742718 -3.72585514237 TCL: atom 1: phi = 1.0388011597 TIMING: 18100 CPU: 3109.11, 0.174583/step Wall: 3801.07, 0.211458/step, 0.111603 hours remaining, 22108 kB of memory in use. ENERGY: 18100 429.7814 671.8844 415.9524 39.9086 -2794.0575 -206.9560 0.0000 0.0000 1183.0414 -260.4454 322.4119 -251.5345 -252.5868 321.2970 487.0865 413.3528 64000.0000 1234.6891 1226.0668 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18100 WRITING COORDINATES TO DCD FILE AT STEP 18100 WRITING COORDINATES TO RESTART FILE AT STEP 18100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 54.4655697369 -1.7099746076 -3.72587338603 TCL: atom 1: phi = 1.03895435965 TCL: Center of mass = 54.4691801791 -1.71027561067 -3.72589519882 TCL: atom 1: phi = 1.03927021271 TCL: Center of mass = 54.4728052738 -1.71058036933 -3.72592832696 TCL: atom 1: phi = 1.03922506323 TCL: Center of mass = 54.4764228145 -1.7108800787 -3.72596450393 TCL: atom 1: phi = 1.03928329135 TCL: Center of mass = 54.4800304245 -1.71117911869 -3.7260036059 TCL: atom 1: phi = 1.03902575793 TCL: Center of mass = 54.4836255436 -1.71148374618 -3.72604455778 TCL: atom 1: phi = 1.03897494011 TCL: Center of mass = 54.4872169357 -1.71177433261 -3.72607322297 TCL: atom 1: phi = 1.03871713024 TCL: Center of mass = 54.4908064655 -1.71205884276 -3.72610299091 TCL: atom 1: phi = 1.03875728332 TCL: Center of mass = 54.4943823313 -1.71235666953 -3.72612954298 TCL: atom 1: phi = 1.03863876882 TCL: Center of mass = 54.4979552046 -1.71265528851 -3.72615689467 TCL: atom 1: phi = 1.03880846504 TCL: Center of mass = 54.5015164374 -1.71295656188 -3.72619862952 TCL: atom 1: phi = 1.03874424932 TCL: Center of mass = 54.505066693 -1.71325741797 -3.72623511584 TCL: atom 1: phi = 1.03889729712 TCL: Center of mass = 54.5086309217 -1.71355801587 -3.72626672811 TCL: atom 1: phi = 1.0387696648 TCL: Center of mass = 54.5121994527 -1.71386323677 -3.72629391756 TCL: atom 1: phi = 1.03881496519 TCL: Center of mass = 54.5157596969 -1.71416653139 -3.72631429416 TCL: atom 1: phi = 1.0386578623 TCL: Center of mass = 54.5193276086 -1.71447335481 -3.72633625695 TCL: atom 1: phi = 1.03864325788 TCL: Center of mass = 54.5228991619 -1.71477888023 -3.72636416234 TCL: atom 1: phi = 1.03841877181 TCL: Center of mass = 54.5264579441 -1.71508369107 -3.72640609041 TCL: atom 1: phi = 1.03837040424 TCL: Center of mass = 54.5300104954 -1.71538702613 -3.72644941781 TCL: atom 1: phi = 1.03809848772 TCL: Center of mass = 54.5335554319 -1.71568060671 -3.726487403 TCL: atom 1: phi = 1.03797788508 TCL: Center of mass = 54.5370911338 -1.7159817717 -3.72652560055 TCL: atom 1: phi = 1.03769998721 TCL: Center of mass = 54.5406276836 -1.71627647657 -3.72656190951 TCL: atom 1: phi = 1.03761521516 TCL: Center of mass = 54.5441582084 -1.71657640524 -3.72660317526 TCL: atom 1: phi = 1.03738332276 TCL: Center of mass = 54.5476944214 -1.71687261561 -3.72663696439 TCL: atom 1: phi = 1.03730126019 TCL: Center of mass = 54.5512353106 -1.71717695916 -3.72667124374 TCL: atom 1: phi = 1.03708066242 TCL: Center of mass = 54.554784818 -1.71748619046 -3.72671063191 TCL: atom 1: phi = 1.0370722264 TCL: Center of mass = 54.5583295167 -1.71778363863 -3.72674547962 TCL: atom 1: phi = 1.03705106079 TCL: Center of mass = 54.5618749658 -1.71807620441 -3.72676993938 TCL: atom 1: phi = 1.03735782735 TCL: Center of mass = 54.5654288169 -1.71836171397 -3.72680000901 TCL: atom 1: phi = 1.03769813583 TCL: Center of mass = 54.5689800124 -1.71863771233 -3.72682674281 TCL: atom 1: phi = 1.03838559295 TCL: Center of mass = 54.5725402995 -1.71890975208 -3.72684872878 TCL: atom 1: phi = 1.03906180993 TCL: Center of mass = 54.576111301 -1.71918004368 -3.72688120552 TCL: atom 1: phi = 1.04007527494 TCL: Center of mass = 54.5796938012 -1.7194508989 -3.72691158771 TCL: atom 1: phi = 1.04095114238 TCL: Center of mass = 54.5832749182 -1.71970824577 -3.726930946 TCL: atom 1: phi = 1.04202551659 TCL: Center of mass = 54.586851059 -1.71998713411 -3.72695823732 TCL: atom 1: phi = 1.04289171613 TCL: Center of mass = 54.5904406855 -1.72025887877 -3.72698155716 TCL: atom 1: phi = 1.04389141651 TCL: Center of mass = 54.5940366339 -1.72052971193 -3.72700889963 TCL: atom 1: phi = 1.04465256632 TCL: Center of mass = 54.597632707 -1.72079754184 -3.72703361743 TCL: atom 1: phi = 1.0455964581 TCL: Center of mass = 54.6012344029 -1.7210740396 -3.72704491639 TCL: atom 1: phi = 1.04631490869 TCL: Center of mass = 54.6048440935 -1.72134161582 -3.7270542111 TCL: atom 1: phi = 1.04717968962 TCL: Center of mass = 54.6084493568 -1.72160418876 -3.72706840826 TCL: atom 1: phi = 1.04775706973 TCL: Center of mass = 54.6120432308 -1.72186403997 -3.72708675666 TCL: atom 1: phi = 1.04844708337 TCL: Center of mass = 54.6156270611 -1.72211692 -3.72711444307 TCL: atom 1: phi = 1.04884747776 TCL: Center of mass = 54.6192171364 -1.72236972591 -3.72714733035 TCL: atom 1: phi = 1.04929893267 TCL: Center of mass = 54.6228108329 -1.72262022004 -3.72718206227 TCL: atom 1: phi = 1.04942959084 TCL: Center of mass = 54.6264177709 -1.72287137161 -3.72721368414 TCL: atom 1: phi = 1.04966068265 TCL: Center of mass = 54.6300218088 -1.72312870285 -3.72724112589 TCL: atom 1: phi = 1.04958994187 TCL: Center of mass = 54.6336236593 -1.7233817299 -3.72726725929 TCL: atom 1: phi = 1.04968033187 TCL: Center of mass = 54.637215799 -1.72362731724 -3.72730427097 TCL: atom 1: phi = 1.04955331101 TCL: Center of mass = 54.6408038496 -1.72386386654 -3.72734265421 TCL: atom 1: phi = 1.04963570144 TCL: Center of mass = 54.6443932974 -1.72409009692 -3.72738469103 TCL: atom 1: phi = 1.0494639696 TCL: Center of mass = 54.6479879072 -1.7243143463 -3.72740949314 TCL: atom 1: phi = 1.04940622435 TCL: Center of mass = 54.6515749178 -1.72453792 -3.72742617068 TCL: atom 1: phi = 1.04905705877 TCL: Center of mass = 54.6551547551 -1.7247761488 -3.72743689731 TCL: atom 1: phi = 1.04884200348 TCL: Center of mass = 54.6587223293 -1.72501369323 -3.72744545658 TCL: atom 1: phi = 1.04831197964 TCL: Center of mass = 54.6622848802 -1.72525143695 -3.72744594699 TCL: atom 1: phi = 1.04801222381 TCL: Center of mass = 54.6658423119 -1.72547948491 -3.72744784688 TCL: atom 1: phi = 1.04744009404 TCL: Center of mass = 54.6693953675 -1.72571259944 -3.72744657039 TCL: atom 1: phi = 1.04712062234 TCL: Center of mass = 54.6729531189 -1.72595132969 -3.72744684785 TCL: atom 1: phi = 1.04663920028 TCL: Center of mass = 54.6765046475 -1.72618862594 -3.72744757149 TCL: atom 1: phi = 1.04641426425 TCL: Center of mass = 54.6800404416 -1.72641494279 -3.72744773242 TCL: atom 1: phi = 1.04605197001 TCL: Center of mass = 54.6835819236 -1.72664371721 -3.72744968149 TCL: atom 1: phi = 1.04590190611 TCL: Center of mass = 54.6871144674 -1.72688917379 -3.7274546905 TCL: atom 1: phi = 1.04558544469 TCL: Center of mass = 54.6906454402 -1.72713708974 -3.72745608983 TCL: atom 1: phi = 1.04546248908 TCL: Center of mass = 54.6941732474 -1.72738313576 -3.72746183543 TCL: atom 1: phi = 1.04514251047 TCL: Center of mass = 54.6977044803 -1.72762626659 -3.7274681268 TCL: atom 1: phi = 1.04499800547 TCL: Center of mass = 54.701214411 -1.72787533833 -3.72747600974 TCL: atom 1: phi = 1.0446986575 TCL: Center of mass = 54.7047215472 -1.72811732704 -3.72747895722 TCL: atom 1: phi = 1.04460680146 TCL: Center of mass = 54.7082154582 -1.72836007168 -3.72748568725 TCL: atom 1: phi = 1.04441313587 TCL: Center of mass = 54.7116980806 -1.72860705484 -3.72748948837 TCL: atom 1: phi = 1.04447664852 TCL: Center of mass = 54.7151767745 -1.72886001296 -3.72751503263 TCL: atom 1: phi = 1.04445412312 TCL: Center of mass = 54.7186693151 -1.7291096739 -3.72753349897 TCL: atom 1: phi = 1.04461269701 TCL: Center of mass = 54.7221576195 -1.72937094148 -3.7275502545 TCL: atom 1: phi = 1.0445708021 TCL: Center of mass = 54.7256651324 -1.72962023672 -3.72757295769 TCL: atom 1: phi = 1.04460192868 TCL: Center of mass = 54.7291652863 -1.72985696988 -3.72759499639 TCL: atom 1: phi = 1.04436242034 TCL: Center of mass = 54.7326512972 -1.73009359669 -3.72762869943 TCL: atom 1: phi = 1.04421244257 TCL: Center of mass = 54.7361430382 -1.73032816452 -3.72765353939 TCL: atom 1: phi = 1.04376813536 TCL: Center of mass = 54.739639051 -1.73055490705 -3.72767765211 TCL: atom 1: phi = 1.04342893347 TCL: Center of mass = 54.7431267119 -1.73078347515 -3.72769866775 TCL: atom 1: phi = 1.04297393641 TCL: Center of mass = 54.7466197903 -1.73100233521 -3.72771873888 TCL: atom 1: phi = 1.04269891862 TCL: Center of mass = 54.7501137957 -1.73123640143 -3.72772958474 TCL: atom 1: phi = 1.04225951485 TCL: Center of mass = 54.7536128085 -1.7314792008 -3.72772646611 TCL: atom 1: phi = 1.04200142924 TCL: Center of mass = 54.7571065457 -1.7317170428 -3.72772312647 TCL: atom 1: phi = 1.04158584167 TCL: Center of mass = 54.7606090385 -1.73194682239 -3.72771512047 TCL: atom 1: phi = 1.04136447616 TCL: Center of mass = 54.7641239405 -1.73216693107 -3.72771470424 TCL: atom 1: phi = 1.04098149325 TCL: Center of mass = 54.7676288909 -1.73238442643 -3.72771282978 TCL: atom 1: phi = 1.04078036998 TCL: Center of mass = 54.7711353526 -1.73260424413 -3.7277143717 TCL: atom 1: phi = 1.04047348835 TCL: Center of mass = 54.7746335897 -1.73280998748 -3.72770373991 TCL: atom 1: phi = 1.04049711668 TCL: Center of mass = 54.7781338041 -1.73300774105 -3.72770549038 TCL: atom 1: phi = 1.04048559957 TCL: Center of mass = 54.7816346772 -1.73320849466 -3.72771542811 TCL: atom 1: phi = 1.04079628194 TCL: Center of mass = 54.7851386448 -1.73342089822 -3.72772765797 TCL: atom 1: phi = 1.0410869031 TCL: Center of mass = 54.7886510207 -1.73362528473 -3.72775190699 TCL: atom 1: phi = 1.041714029 TCL: Center of mass = 54.792169667 -1.73382604557 -3.72777100589 TCL: atom 1: phi = 1.04225157431 TCL: Center of mass = 54.7956873684 -1.73403039648 -3.72780056393 TCL: atom 1: phi = 1.04298692409 TCL: Center of mass = 54.7992028366 -1.73423041862 -3.72781747943 TCL: atom 1: phi = 1.04349406558 TCL: Center of mass = 54.80272308 -1.73442840358 -3.72783631011 TCL: atom 1: phi = 1.04413038954 TCL: Center of mass = 54.806252697 -1.73462337964 -3.72786659263 TCL: atom 1: phi = 1.04450743964 TCL: Center of mass = 54.8097925039 -1.73481789439 -3.72789815508 TCL: atom 1: phi = 1.0450484682 TCL: Center of mass = 54.8133347216 -1.7350023258 -3.72792305418 TCL: atom 1: phi = 1.04536796749 TCL: Center of mass = 54.81687718 -1.73518368065 -3.72794717733 TCL: atom 1: phi = 1.04584031157 TIMING: 18200 CPU: 3126.4, 0.172824/step Wall: 3822.24, 0.211689/step, 0.105844 hours remaining, 22108 kB of memory in use. ENERGY: 18200 389.2384 673.3643 394.8153 36.4917 -2744.8171 -212.0483 0.0000 0.0000 1191.1901 -271.7656 324.6326 -263.3052 -262.6214 323.2915 1836.1854 1551.5575 64000.0000 1202.5083 1203.4001 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18200 WRITING COORDINATES TO DCD FILE AT STEP 18200 WRITING COORDINATES TO RESTART FILE AT STEP 18200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 54.8204144813 -1.73536693133 -3.72796590869 TCL: atom 1: phi = 1.04606145046 TCL: Center of mass = 54.8239436929 -1.73554221775 -3.7279932467 TCL: atom 1: phi = 1.04642392862 TCL: Center of mass = 54.8274645247 -1.73570729061 -3.7280273374 TCL: atom 1: phi = 1.04656289181 TCL: Center of mass = 54.8309839468 -1.7358813459 -3.72806329595 TCL: atom 1: phi = 1.04683899117 TCL: Center of mass = 54.8345040384 -1.73607637477 -3.7281007083 TCL: atom 1: phi = 1.04686152555 TCL: Center of mass = 54.8380125572 -1.73627674258 -3.72811976091 TCL: atom 1: phi = 1.04701013648 TCL: Center of mass = 54.8415073565 -1.73646457745 -3.72814572835 TCL: atom 1: phi = 1.04692285049 TCL: Center of mass = 54.8450039352 -1.73665504352 -3.7281827975 TCL: atom 1: phi = 1.04701152489 TCL: Center of mass = 54.8484930584 -1.73684422175 -3.72822220008 TCL: atom 1: phi = 1.0469009515 TCL: Center of mass = 54.8519828168 -1.7370279974 -3.7282530407 TCL: atom 1: phi = 1.04707534315 TCL: Center of mass = 54.8554609626 -1.73721116709 -3.72828866933 TCL: atom 1: phi = 1.04708500964 TCL: Center of mass = 54.8589360089 -1.73738553663 -3.72831237707 TCL: atom 1: phi = 1.04736089361 TCL: Center of mass = 54.862420709 -1.73755321192 -3.7283511201 TCL: atom 1: phi = 1.04742803389 TCL: Center of mass = 54.8659038701 -1.73771583767 -3.72838680504 TCL: atom 1: phi = 1.04769251202 TCL: Center of mass = 54.8693814366 -1.73787068963 -3.72841880366 TCL: atom 1: phi = 1.04765178376 TCL: Center of mass = 54.8728484918 -1.73803377849 -3.72845762038 TCL: atom 1: phi = 1.04772063635 TCL: Center of mass = 54.8763155236 -1.73818923214 -3.72849092463 TCL: atom 1: phi = 1.04749112091 TCL: Center of mass = 54.8797891946 -1.73834300928 -3.72853392978 TCL: atom 1: phi = 1.04738099537 TCL: Center of mass = 54.8832575803 -1.73850843546 -3.72857345597 TCL: atom 1: phi = 1.04705616957 TCL: Center of mass = 54.8867250115 -1.73868386843 -3.72860560458 TCL: atom 1: phi = 1.04690354976 TCL: Center of mass = 54.8902021231 -1.73885396477 -3.72862649602 TCL: atom 1: phi = 1.0465404143 TCL: Center of mass = 54.8936883648 -1.73903463734 -3.7286424949 TCL: atom 1: phi = 1.04634572073 TCL: Center of mass = 54.8971750676 -1.73921519611 -3.7286537045 TCL: atom 1: phi = 1.04597246593 TCL: Center of mass = 54.9006643652 -1.73940179122 -3.72865443209 TCL: atom 1: phi = 1.04572844048 TCL: Center of mass = 54.9041485972 -1.73957754995 -3.72865366391 TCL: atom 1: phi = 1.04526148125 TCL: Center of mass = 54.9076357105 -1.73974627363 -3.72865581779 TCL: atom 1: phi = 1.04497680308 TCL: Center of mass = 54.9111124994 -1.73990999686 -3.72866981606 TCL: atom 1: phi = 1.04450211998 TCL: Center of mass = 54.9145945089 -1.74006820741 -3.72868943514 TCL: atom 1: phi = 1.04430130619 TCL: Center of mass = 54.9180742961 -1.7402281371 -3.72871739941 TCL: atom 1: phi = 1.04398789259 TCL: Center of mass = 54.9215439015 -1.74039387745 -3.72874999384 TCL: atom 1: phi = 1.04403044616 TCL: Center of mass = 54.9250316699 -1.74055528351 -3.72878259368 TCL: atom 1: phi = 1.0439850566 TCL: Center of mass = 54.9285141936 -1.74072743996 -3.72880904403 TCL: atom 1: phi = 1.04416652909 TCL: Center of mass = 54.9319965018 -1.74091516793 -3.72883490922 TCL: atom 1: phi = 1.04416711665 TCL: Center of mass = 54.9354638543 -1.74110794092 -3.72886422952 TCL: atom 1: phi = 1.04437015496 TCL: Center of mass = 54.9389276804 -1.74129803013 -3.72888595461 TCL: atom 1: phi = 1.04436086188 TCL: Center of mass = 54.9423765407 -1.74148952697 -3.72890886478 TCL: atom 1: phi = 1.04451768155 TCL: Center of mass = 54.9458120019 -1.74168212728 -3.72892544817 TCL: atom 1: phi = 1.04438251598 TCL: Center of mass = 54.9492457544 -1.74186424677 -3.72893356732 TCL: atom 1: phi = 1.04437387138 TCL: Center of mass = 54.9526882105 -1.74204991966 -3.72892010898 TCL: atom 1: phi = 1.0441104614 TCL: Center of mass = 54.9561303736 -1.7422281363 -3.72890619176 TCL: atom 1: phi = 1.04406598487 TCL: Center of mass = 54.9595706302 -1.74240233755 -3.72889594316 TCL: atom 1: phi = 1.04382856304 TCL: Center of mass = 54.9630037822 -1.74257325976 -3.72888976119 TCL: atom 1: phi = 1.04381872835 TCL: Center of mass = 54.9664323495 -1.74274616505 -3.72888978002 TCL: atom 1: phi = 1.04355364464 TCL: Center of mass = 54.9698612553 -1.74291042799 -3.72889240197 TCL: atom 1: phi = 1.04352296549 TCL: Center of mass = 54.9732878431 -1.74307040608 -3.72889158005 TCL: atom 1: phi = 1.04322260987 TCL: Center of mass = 54.9767153606 -1.74323484606 -3.72888453514 TCL: atom 1: phi = 1.04312001073 TCL: Center of mass = 54.9801398916 -1.74341948254 -3.72887838074 TCL: atom 1: phi = 1.04276553982 TCL: Center of mass = 54.9835606483 -1.74360521739 -3.72887764452 TCL: atom 1: phi = 1.04266264566 TCL: Center of mass = 54.9869770117 -1.74378572466 -3.72887061107 TCL: atom 1: phi = 1.04239909421 TCL: Center of mass = 54.990397288 -1.74396772568 -3.72886899382 TCL: atom 1: phi = 1.04239449687 TCL: Center of mass = 54.9938209656 -1.74415407781 -3.72887842266 TCL: atom 1: phi = 1.04221432759 TCL: Center of mass = 54.9972362984 -1.74434266131 -3.72887912015 TCL: atom 1: phi = 1.04234033226 TCL: Center of mass = 55.0006561929 -1.74454053319 -3.72887529248 TCL: atom 1: phi = 1.04221235341 TCL: Center of mass = 55.0040885744 -1.7447365035 -3.72887293544 TCL: atom 1: phi = 1.04233884455 TCL: Center of mass = 55.0075208179 -1.74492102604 -3.72886367547 TCL: atom 1: phi = 1.04222283063 TCL: Center of mass = 55.0109497327 -1.74511091878 -3.72884927198 TCL: atom 1: phi = 1.04224863081 TCL: Center of mass = 55.014364242 -1.74529966427 -3.72883844814 TCL: atom 1: phi = 1.04194897819 TCL: Center of mass = 55.017783863 -1.74549145344 -3.7288301059 TCL: atom 1: phi = 1.04181821458 TCL: Center of mass = 55.0211956162 -1.74568395643 -3.7288324146 TCL: atom 1: phi = 1.04139015173 TCL: Center of mass = 55.024610705 -1.74587345546 -3.72883288427 TCL: atom 1: phi = 1.04121334575 TCL: Center of mass = 55.0280239532 -1.74606965232 -3.72883208184 TCL: atom 1: phi = 1.04078081276 TCL: Center of mass = 55.031430714 -1.74626273952 -3.7288310174 TCL: atom 1: phi = 1.04061855502 TCL: Center of mass = 55.034835529 -1.74646544089 -3.72883122042 TCL: atom 1: phi = 1.04028873902 TCL: Center of mass = 55.0382426521 -1.74667015963 -3.72882975387 TCL: atom 1: phi = 1.04024727349 TCL: Center of mass = 55.0416504768 -1.74686893626 -3.72883012594 TCL: atom 1: phi = 1.03996596933 TCL: Center of mass = 55.0450592842 -1.74706604542 -3.72882230865 TCL: atom 1: phi = 1.03996395502 TCL: Center of mass = 55.0484680516 -1.74725756188 -3.72880466724 TCL: atom 1: phi = 1.03972451184 TCL: Center of mass = 55.0518764272 -1.74744651662 -3.72878024958 TCL: atom 1: phi = 1.03971692553 TCL: Center of mass = 55.0552819587 -1.74762859322 -3.7287615405 TCL: atom 1: phi = 1.03942954488 TCL: Center of mass = 55.0586837889 -1.74781374003 -3.72874626235 TCL: atom 1: phi = 1.03937196867 TCL: Center of mass = 55.0621004795 -1.74800236985 -3.72873614232 TCL: atom 1: phi = 1.03908477631 TCL: Center of mass = 55.0655153015 -1.74818963067 -3.72872274375 TCL: atom 1: phi = 1.03905263139 TCL: Center of mass = 55.0689258397 -1.74838379687 -3.72871151063 TCL: atom 1: phi = 1.03877182332 TCL: Center of mass = 55.0723350614 -1.74858564121 -3.72868800738 TCL: atom 1: phi = 1.03870906977 TCL: Center of mass = 55.075742081 -1.74877548146 -3.72865878795 TCL: atom 1: phi = 1.03829921567 TCL: Center of mass = 55.0791557439 -1.74895790814 -3.72863980958 TCL: atom 1: phi = 1.03799075818 TCL: Center of mass = 55.0825716932 -1.74914710528 -3.72863077494 TCL: atom 1: phi = 1.03725209517 TCL: Center of mass = 55.0859794072 -1.74933915828 -3.72862247307 TCL: atom 1: phi = 1.03657899064 TCL: Center of mass = 55.0893823572 -1.7495384051 -3.72861715381 TCL: atom 1: phi = 1.03547739607 TCL: Center of mass = 55.09279251 -1.74972223005 -3.72861916257 TCL: atom 1: phi = 1.03448510723 TCL: Center of mass = 55.0961969294 -1.74991907094 -3.72862579248 TCL: atom 1: phi = 1.03320253543 TCL: Center of mass = 55.0995981748 -1.7501134619 -3.72864479578 TCL: atom 1: phi = 1.03211720255 TCL: Center of mass = 55.1029983419 -1.75030615001 -3.72866234392 TCL: atom 1: phi = 1.03082902072 TCL: Center of mass = 55.1063988411 -1.75050647429 -3.72866861216 TCL: atom 1: phi = 1.0297351944 TCL: Center of mass = 55.1097950505 -1.7507119345 -3.72867084343 TCL: atom 1: phi = 1.02845181546 TCL: Center of mass = 55.1131889788 -1.75091243611 -3.72866211439 TCL: atom 1: phi = 1.02739707206 TCL: Center of mass = 55.1165771194 -1.75111013912 -3.72864578927 TCL: atom 1: phi = 1.02621615346 TCL: Center of mass = 55.1199690613 -1.75131207892 -3.72862018355 TCL: atom 1: phi = 1.02526759069 TCL: Center of mass = 55.1233572907 -1.75151888036 -3.7285984215 TCL: atom 1: phi = 1.02426808404 TCL: Center of mass = 55.1267470196 -1.75172974417 -3.72856335113 TCL: atom 1: phi = 1.02359174005 TCL: Center of mass = 55.1301366108 -1.75193978106 -3.72852254381 TCL: atom 1: phi = 1.02298239454 TCL: Center of mass = 55.1335310592 -1.75215858059 -3.72848846109 TCL: atom 1: phi = 1.02273305863 TCL: Center of mass = 55.1369234433 -1.75237112184 -3.72845246139 TCL: atom 1: phi = 1.02255563924 TCL: Center of mass = 55.140311193 -1.75257387037 -3.72841955055 TCL: atom 1: phi = 1.02271724077 TCL: Center of mass = 55.1436877746 -1.75276948235 -3.72840216561 TCL: atom 1: phi = 1.02289604071 TCL: Center of mass = 55.1470669879 -1.75297544931 -3.72837655718 TCL: atom 1: phi = 1.02330390614 TCL: Center of mass = 55.1504479175 -1.75317183687 -3.72833985525 TCL: atom 1: phi = 1.02357421152 TCL: Center of mass = 55.153829182 -1.75336085265 -3.72829632549 TCL: atom 1: phi = 1.02402742342 TCL: Center of mass = 55.1572017858 -1.75353177677 -3.72825060786 TCL: atom 1: phi = 1.02429160738 TCL: Center of mass = 55.1605952951 -1.75370346447 -3.7281989495 TCL: atom 1: phi = 1.02467855612 TIMING: 18300 CPU: 3143.67, 0.172694/step Wall: 3843.39, 0.211541/step, 0.0998943 hours remaining, 22108 kB of memory in use. ENERGY: 18300 391.3027 695.6730 403.4714 42.6394 -2788.0176 -225.8734 0.0000 0.0000 1196.5425 -284.2620 326.0913 -276.4267 -272.9857 317.3351 925.7117 850.7343 64000.0000 1211.7521 1214.7014 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18300 WRITING COORDINATES TO DCD FILE AT STEP 18300 WRITING COORDINATES TO RESTART FILE AT STEP 18300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 55.1639774691 -1.75386996717 -3.72813879678 TCL: atom 1: phi = 1.02490255278 TCL: Center of mass = 55.1673674086 -1.75403640922 -3.72806734113 TCL: atom 1: phi = 1.02530463716 TCL: Center of mass = 55.1707634188 -1.75419417536 -3.7279907256 TCL: atom 1: phi = 1.02550224901 TCL: Center of mass = 55.1741669909 -1.75435824439 -3.72790456889 TCL: atom 1: phi = 1.02597324307 TCL: Center of mass = 55.1775664609 -1.754517659 -3.72782104696 TCL: atom 1: phi = 1.02625473238 TCL: Center of mass = 55.1809775354 -1.75467612213 -3.72772491503 TCL: atom 1: phi = 1.02668985489 TCL: Center of mass = 55.1843870265 -1.75483791018 -3.72763169579 TCL: atom 1: phi = 1.02689570394 TCL: Center of mass = 55.187786402 -1.75499041624 -3.72752377977 TCL: atom 1: phi = 1.02726171458 TCL: Center of mass = 55.1911838538 -1.75514179574 -3.72741596542 TCL: atom 1: phi = 1.02743042035 TCL: Center of mass = 55.1945902645 -1.75528763069 -3.72730688115 TCL: atom 1: phi = 1.02773727667 TCL: Center of mass = 55.1979884492 -1.75542387548 -3.72719999307 TCL: atom 1: phi = 1.02785444745 TCL: Center of mass = 55.2013802048 -1.75555704219 -3.72709664599 TCL: atom 1: phi = 1.02817798198 TCL: Center of mass = 55.2047777338 -1.75568407716 -3.726998183 TCL: atom 1: phi = 1.0283990559 TCL: Center of mass = 55.2081698898 -1.75580854045 -3.72689737153 TCL: atom 1: phi = 1.02883740044 TCL: Center of mass = 55.211555327 -1.75593423834 -3.72680156927 TCL: atom 1: phi = 1.02913366559 TCL: Center of mass = 55.214926353 -1.75605055291 -3.72668330845 TCL: atom 1: phi = 1.02957541924 TCL: Center of mass = 55.2183056744 -1.75616657598 -3.72657806827 TCL: atom 1: phi = 1.02981164985 TCL: Center of mass = 55.2216771421 -1.75627775401 -3.72646430843 TCL: atom 1: phi = 1.03016503024 TCL: Center of mass = 55.22504179 -1.75638841341 -3.72634639978 TCL: atom 1: phi = 1.03025957481 TCL: Center of mass = 55.2284150414 -1.7565048596 -3.72621929558 TCL: atom 1: phi = 1.03045257588 TCL: Center of mass = 55.231792118 -1.75662727131 -3.72609403424 TCL: atom 1: phi = 1.03039859645 TCL: Center of mass = 55.2351595776 -1.75673221712 -3.72597280076 TCL: atom 1: phi = 1.03049695837 TCL: Center of mass = 55.2385359863 -1.75684460636 -3.72585554978 TCL: atom 1: phi = 1.03043462004 TCL: Center of mass = 55.2419105821 -1.75694841357 -3.72573901141 TCL: atom 1: phi = 1.0305921852 TCL: Center of mass = 55.2452933515 -1.75704383122 -3.72562418675 TCL: atom 1: phi = 1.03059966418 TCL: Center of mass = 55.2486698428 -1.75712708258 -3.72550962059 TCL: atom 1: phi = 1.03082242239 TCL: Center of mass = 55.2520445567 -1.75721240589 -3.72539146817 TCL: atom 1: phi = 1.03086032617 TCL: Center of mass = 55.2554195125 -1.75729795173 -3.72528341725 TCL: atom 1: phi = 1.03101409225 TCL: Center of mass = 55.2588114446 -1.75737508175 -3.725163994 TCL: atom 1: phi = 1.03101840615 TCL: Center of mass = 55.262209009 -1.75744058007 -3.72505056793 TCL: atom 1: phi = 1.03123873712 TCL: Center of mass = 55.2655882917 -1.7575130695 -3.72493219544 TCL: atom 1: phi = 1.0313548019 TCL: Center of mass = 55.2689632331 -1.75758111454 -3.72481678494 TCL: atom 1: phi = 1.03168264105 TCL: Center of mass = 55.2723355647 -1.75764356436 -3.72470417241 TCL: atom 1: phi = 1.03196508822 TCL: Center of mass = 55.2756954763 -1.75771119205 -3.72459611547 TCL: atom 1: phi = 1.03251424623 TCL: Center of mass = 55.2790637454 -1.75778102249 -3.72447690428 TCL: atom 1: phi = 1.03299995016 TCL: Center of mass = 55.2824205486 -1.75785825307 -3.72435840804 TCL: atom 1: phi = 1.03377904063 TCL: Center of mass = 55.2857718141 -1.75793732658 -3.72422905013 TCL: atom 1: phi = 1.03445001985 TCL: Center of mass = 55.2891412593 -1.75801712335 -3.72410521521 TCL: atom 1: phi = 1.03530322098 TCL: Center of mass = 55.2925189107 -1.75809582969 -3.72396785084 TCL: atom 1: phi = 1.03594384629 TCL: Center of mass = 55.2959025763 -1.75817939228 -3.7238389074 TCL: atom 1: phi = 1.03666466795 TCL: Center of mass = 55.2992757257 -1.75826369446 -3.7237063089 TCL: atom 1: phi = 1.03707822333 TCL: Center of mass = 55.3026512104 -1.75834931476 -3.72357193967 TCL: atom 1: phi = 1.03760775067 TCL: Center of mass = 55.3060191853 -1.75842274633 -3.72343231267 TCL: atom 1: phi = 1.03786408822 TCL: Center of mass = 55.3093861088 -1.75848399523 -3.72328394361 TCL: atom 1: phi = 1.03828364891 TCL: Center of mass = 55.3127523762 -1.75854193639 -3.72312805479 TCL: atom 1: phi = 1.03843073314 TCL: Center of mass = 55.3161193193 -1.75860470437 -3.72297187402 TCL: atom 1: phi = 1.03873747066 TCL: Center of mass = 55.3194806465 -1.75865890824 -3.72280461474 TCL: atom 1: phi = 1.03874307751 TCL: Center of mass = 55.3228536058 -1.75871211203 -3.72265326481 TCL: atom 1: phi = 1.03882912366 TCL: Center of mass = 55.3262237887 -1.75876414195 -3.72250231653 TCL: atom 1: phi = 1.03855648266 TCL: Center of mass = 55.3295975288 -1.7588205756 -3.72235288698 TCL: atom 1: phi = 1.03839879126 TCL: Center of mass = 55.3329667059 -1.75887310271 -3.72219670019 TCL: atom 1: phi = 1.03788191221 TCL: Center of mass = 55.3363447366 -1.75892613347 -3.72203361315 TCL: atom 1: phi = 1.03750646683 TCL: Center of mass = 55.3397098228 -1.75897265526 -3.72186810611 TCL: atom 1: phi = 1.03688497593 TCL: Center of mass = 55.3430827992 -1.7590176652 -3.72170494427 TCL: atom 1: phi = 1.03648989492 TCL: Center of mass = 55.3464616298 -1.75906069836 -3.72154857272 TCL: atom 1: phi = 1.03590111375 TCL: Center of mass = 55.349825711 -1.75910881992 -3.7213977542 TCL: atom 1: phi = 1.03556070501 TCL: Center of mass = 55.3531987785 -1.75916366609 -3.72125512399 TCL: atom 1: phi = 1.03498474448 TCL: Center of mass = 55.3565655635 -1.7592218509 -3.72112983926 TCL: atom 1: phi = 1.03460198515 TCL: Center of mass = 55.3599300785 -1.75927259866 -3.72100347097 TCL: atom 1: phi = 1.03397170505 TCL: Center of mass = 55.3632851789 -1.75932054708 -3.72088435778 TCL: atom 1: phi = 1.03349032979 TCL: Center of mass = 55.3666501393 -1.75936329392 -3.72077445215 TCL: atom 1: phi = 1.03277458211 TCL: Center of mass = 55.3700036451 -1.75940913646 -3.72064723066 TCL: atom 1: phi = 1.03227640888 TCL: Center of mass = 55.3733655536 -1.75945718337 -3.7205179062 TCL: atom 1: phi = 1.03167458757 TCL: Center of mass = 55.3767361453 -1.75949630986 -3.72039161035 TCL: atom 1: phi = 1.03137208987 TCL: Center of mass = 55.3801000348 -1.75953662086 -3.72026996315 TCL: atom 1: phi = 1.03099393152 TCL: Center of mass = 55.3834527056 -1.75957608915 -3.72015397799 TCL: atom 1: phi = 1.03093751676 TCL: Center of mass = 55.3867929139 -1.75962099166 -3.72003451862 TCL: atom 1: phi = 1.03079414209 TCL: Center of mass = 55.3901363237 -1.75967043959 -3.71991808885 TCL: atom 1: phi = 1.03095565394 TCL: Center of mass = 55.3934705133 -1.75970894048 -3.71979659156 TCL: atom 1: phi = 1.030983539 TCL: Center of mass = 55.3968019223 -1.75974954014 -3.71967199337 TCL: atom 1: phi = 1.03129035429 TCL: Center of mass = 55.400137126 -1.75979298225 -3.71954882712 TCL: atom 1: phi = 1.03141054478 TCL: Center of mass = 55.4034797132 -1.75983070909 -3.71944246705 TCL: atom 1: phi = 1.03177791411 TCL: Center of mass = 55.4068172741 -1.75987132727 -3.71933962373 TCL: atom 1: phi = 1.0319303185 TCL: Center of mass = 55.4101398333 -1.75991120781 -3.71922511057 TCL: atom 1: phi = 1.03233040692 TCL: Center of mass = 55.4134785402 -1.75994034751 -3.71910662913 TCL: atom 1: phi = 1.03248993256 TCL: Center of mass = 55.4168230688 -1.7599740654 -3.71897396549 TCL: atom 1: phi = 1.03288538293 TCL: Center of mass = 55.4201652939 -1.76002141839 -3.71883430689 TCL: atom 1: phi = 1.03298488232 TCL: Center of mass = 55.423511371 -1.76006277484 -3.7186891283 TCL: atom 1: phi = 1.03325822279 TCL: Center of mass = 55.426853639 -1.76009880084 -3.71854013274 TCL: atom 1: phi = 1.0331754384 TCL: Center of mass = 55.4301944964 -1.76012048832 -3.71838341715 TCL: atom 1: phi = 1.03321694901 TCL: Center of mass = 55.4335349777 -1.76013833328 -3.71821968612 TCL: atom 1: phi = 1.03286692045 TCL: Center of mass = 55.4368873207 -1.76014430336 -3.71805030752 TCL: atom 1: phi = 1.03267685593 TCL: Center of mass = 55.4402509808 -1.76014463287 -3.71787597364 TCL: atom 1: phi = 1.03213937142 TCL: Center of mass = 55.4436119598 -1.76014366076 -3.71769048293 TCL: atom 1: phi = 1.03186404315 TCL: Center of mass = 55.4469802579 -1.76014459587 -3.7175112368 TCL: atom 1: phi = 1.03136723365 TCL: Center of mass = 55.4503604529 -1.76014147773 -3.71733174467 TCL: atom 1: phi = 1.03115964197 TCL: Center of mass = 55.4537480314 -1.76013895555 -3.7171473909 TCL: atom 1: phi = 1.03076086109 TCL: Center of mass = 55.4571504574 -1.76016240329 -3.71696821639 TCL: atom 1: phi = 1.03064686569 TCL: Center of mass = 55.4605417613 -1.76018987934 -3.71678766923 TCL: atom 1: phi = 1.03032476873 TCL: Center of mass = 55.4639323303 -1.76021687927 -3.71660231719 TCL: atom 1: phi = 1.0302283571 TCL: Center of mass = 55.4673126191 -1.76025012735 -3.71641005871 TCL: atom 1: phi = 1.0298431724 TCL: Center of mass = 55.470695444 -1.7602974985 -3.71622161936 TCL: atom 1: phi = 1.0296339368 TCL: Center of mass = 55.4740821316 -1.76035680685 -3.71604036474 TCL: atom 1: phi = 1.02917337049 TCL: Center of mass = 55.4774707165 -1.76040641076 -3.71585308405 TCL: atom 1: phi = 1.02894465604 TCL: Center of mass = 55.4808544479 -1.7604616196 -3.71566559592 TCL: atom 1: phi = 1.02851304768 TCL: Center of mass = 55.4842313668 -1.76052452914 -3.71548454277 TCL: atom 1: phi = 1.02835554693 TCL: Center of mass = 55.4876044661 -1.76058586018 -3.71530076247 TCL: atom 1: phi = 1.02803470517 TCL: Center of mass = 55.4909784643 -1.76063185853 -3.71512932412 TCL: atom 1: phi = 1.02798617455 TCL: Center of mass = 55.4943537737 -1.76067403313 -3.71496876672 TCL: atom 1: phi = 1.027712565 TCL: Center of mass = 55.4977346544 -1.76070632184 -3.71481223345 TCL: atom 1: phi = 1.02762719918 TIMING: 18400 CPU: 3160.94, 0.172774/step Wall: 3864.54, 0.211538/step, 0.094017 hours remaining, 22108 kB of memory in use. ENERGY: 18400 396.3954 707.9343 411.9444 50.3942 -2809.6548 -214.4111 0.0000 0.0000 1177.8545 -279.5431 320.9983 -271.2286 -270.0571 318.7733 1574.3650 1408.0876 64000.0000 1343.4740 1347.1198 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18400 WRITING COORDINATES TO DCD FILE AT STEP 18400 WRITING COORDINATES TO RESTART FILE AT STEP 18400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 55.5011163387 -1.76073462084 -3.71466710599 TCL: atom 1: phi = 1.02723097412 TCL: Center of mass = 55.5045014679 -1.76076815245 -3.71452332901 TCL: atom 1: phi = 1.02700082609 TCL: Center of mass = 55.5078966889 -1.76080043525 -3.71437226298 TCL: atom 1: phi = 1.02651066487 TCL: Center of mass = 55.5112897831 -1.76082923368 -3.71421977127 TCL: atom 1: phi = 1.02629923192 TCL: Center of mass = 55.5146854521 -1.76086213094 -3.71406682741 TCL: atom 1: phi = 1.0259418423 TCL: Center of mass = 55.5180751967 -1.76087840753 -3.71389874017 TCL: atom 1: phi = 1.02592101042 TCL: Center of mass = 55.5214682692 -1.76088963586 -3.71372084543 TCL: atom 1: phi = 1.02579687556 TCL: Center of mass = 55.5248598821 -1.76088904423 -3.71355107778 TCL: atom 1: phi = 1.02607009288 TCL: Center of mass = 55.5282464126 -1.76087976584 -3.71337893175 TCL: atom 1: phi = 1.02620723488 TCL: Center of mass = 55.5316306622 -1.76086837993 -3.71320874893 TCL: atom 1: phi = 1.02661432885 TCL: Center of mass = 55.5350029882 -1.76086389217 -3.71303751818 TCL: atom 1: phi = 1.02678365604 TCL: Center of mass = 55.5383698142 -1.76085623806 -3.71286319494 TCL: atom 1: phi = 1.02716296747 TCL: Center of mass = 55.5417534926 -1.76084942457 -3.7126865156 TCL: atom 1: phi = 1.02721911681 TCL: Center of mass = 55.5451308845 -1.76083792321 -3.71250428319 TCL: atom 1: phi = 1.02747177763 TCL: Center of mass = 55.5485082896 -1.7608216426 -3.71232108536 TCL: atom 1: phi = 1.02745901424 TCL: Center of mass = 55.5518935588 -1.76079671704 -3.71214522919 TCL: atom 1: phi = 1.02769031916 TCL: Center of mass = 55.5552749297 -1.76076463556 -3.71197316884 TCL: atom 1: phi = 1.02768792899 TCL: Center of mass = 55.5586666214 -1.76071622771 -3.71179573357 TCL: atom 1: phi = 1.02794806136 TCL: Center of mass = 55.5620371384 -1.76067376227 -3.7116085626 TCL: atom 1: phi = 1.02792591867 TCL: Center of mass = 55.5654054388 -1.76061696782 -3.71143698163 TCL: atom 1: phi = 1.02804301247 TCL: Center of mass = 55.5687714202 -1.76056017738 -3.71126719228 TCL: atom 1: phi = 1.02779519572 TCL: Center of mass = 55.572129505 -1.76050190189 -3.71109855056 TCL: atom 1: phi = 1.02764160038 TCL: Center of mass = 55.5755001019 -1.76044089029 -3.71092825915 TCL: atom 1: phi = 1.0271837957 TCL: Center of mass = 55.578871671 -1.76037799488 -3.71075832672 TCL: atom 1: phi = 1.02688926134 TCL: Center of mass = 55.5822390575 -1.76031351683 -3.71060615266 TCL: atom 1: phi = 1.02637245695 TCL: Center of mass = 55.5855968428 -1.76025863938 -3.71045289983 TCL: atom 1: phi = 1.02617860278 TCL: Center of mass = 55.5889573349 -1.76020654153 -3.71029738318 TCL: atom 1: phi = 1.02590341462 TCL: Center of mass = 55.5923127556 -1.76013834209 -3.71012888632 TCL: atom 1: phi = 1.02605323038 TCL: Center of mass = 55.5956655489 -1.76008982014 -3.70995793211 TCL: atom 1: phi = 1.02617550266 TCL: Center of mass = 55.5990177999 -1.76003570403 -3.70978502958 TCL: atom 1: phi = 1.02662972329 TCL: Center of mass = 55.6023705006 -1.75997496627 -3.70961279667 TCL: atom 1: phi = 1.02696477055 TCL: Center of mass = 55.6057276534 -1.75989909137 -3.70943849229 TCL: atom 1: phi = 1.02751820687 TCL: Center of mass = 55.60910186 -1.75982204142 -3.7092593749 TCL: atom 1: phi = 1.0278872028 TCL: Center of mass = 55.6124636165 -1.75973712046 -3.70909368422 TCL: atom 1: phi = 1.02845856644 TCL: Center of mass = 55.615825628 -1.75965226282 -3.70894624409 TCL: atom 1: phi = 1.02888475505 TCL: Center of mass = 55.6191799182 -1.75957473085 -3.70879420732 TCL: atom 1: phi = 1.02953203433 TCL: Center of mass = 55.6225326868 -1.75950679637 -3.70863625877 TCL: atom 1: phi = 1.0300875759 TCL: Center of mass = 55.6258879944 -1.75944187349 -3.70848140094 TCL: atom 1: phi = 1.03089006627 TCL: Center of mass = 55.6292481523 -1.75937439658 -3.70832343904 TCL: atom 1: phi = 1.03149816173 TCL: Center of mass = 55.6326068172 -1.75930588255 -3.70817043252 TCL: atom 1: phi = 1.03230567269 TCL: Center of mass = 55.6359716715 -1.75924918469 -3.70802952626 TCL: atom 1: phi = 1.03281398613 TCL: Center of mass = 55.6393400025 -1.75919658349 -3.70788476633 TCL: atom 1: phi = 1.03338180682 TCL: Center of mass = 55.6427057937 -1.75914107073 -3.70774150286 TCL: atom 1: phi = 1.03361116864 TCL: Center of mass = 55.6460803391 -1.75909126249 -3.70759507889 TCL: atom 1: phi = 1.03390921625 TCL: Center of mass = 55.6494518908 -1.75904368562 -3.70745114938 TCL: atom 1: phi = 1.03390446673 TCL: Center of mass = 55.6528198057 -1.75899050266 -3.70731432214 TCL: atom 1: phi = 1.03409485191 TCL: Center of mass = 55.6562007299 -1.75893559688 -3.70718271086 TCL: atom 1: phi = 1.03410167701 TCL: Center of mass = 55.6595834717 -1.75887761148 -3.70704526099 TCL: atom 1: phi = 1.03436735099 TCL: Center of mass = 55.6629568307 -1.7588108184 -3.7069120611 TCL: atom 1: phi = 1.0344710356 TCL: Center of mass = 55.6663350672 -1.75874173854 -3.70678189253 TCL: atom 1: phi = 1.03484265511 TCL: Center of mass = 55.6697147778 -1.75865270639 -3.70664416538 TCL: atom 1: phi = 1.03502821304 TCL: Center of mass = 55.6730928887 -1.75856395714 -3.70651134618 TCL: atom 1: phi = 1.03535536342 TCL: Center of mass = 55.6764594473 -1.75848559643 -3.70636852483 TCL: atom 1: phi = 1.03538687403 TCL: Center of mass = 55.6798244476 -1.75840738171 -3.7062257895 TCL: atom 1: phi = 1.0355119463 TCL: Center of mass = 55.6831836369 -1.75833190627 -3.70608419316 TCL: atom 1: phi = 1.03539840711 TCL: Center of mass = 55.6865390863 -1.7582520412 -3.70594886353 TCL: atom 1: phi = 1.03543884259 TCL: Center of mass = 55.6898972741 -1.75816515174 -3.70581228175 TCL: atom 1: phi = 1.03533555289 TCL: Center of mass = 55.6932526615 -1.75808690354 -3.70567164905 TCL: atom 1: phi = 1.03544124197 TCL: Center of mass = 55.6966027116 -1.75800626262 -3.70552681284 TCL: atom 1: phi = 1.03537408233 TCL: Center of mass = 55.6999440907 -1.75793336144 -3.70538841079 TCL: atom 1: phi = 1.03547040425 TCL: Center of mass = 55.7032807406 -1.75784965443 -3.70526526504 TCL: atom 1: phi = 1.03541181125 TCL: Center of mass = 55.706619747 -1.75776888462 -3.70514246882 TCL: atom 1: phi = 1.03554410967 TCL: Center of mass = 55.7099488054 -1.75768846691 -3.70502547177 TCL: atom 1: phi = 1.03545570456 TCL: Center of mass = 55.7132971838 -1.7576095108 -3.70490247305 TCL: atom 1: phi = 1.03552756904 TCL: Center of mass = 55.7166406004 -1.75752923427 -3.70478059047 TCL: atom 1: phi = 1.03542159109 TCL: Center of mass = 55.7199837419 -1.75744878563 -3.70465476288 TCL: atom 1: phi = 1.03555390976 TCL: Center of mass = 55.7233277514 -1.75736512521 -3.70452844859 TCL: atom 1: phi = 1.03569344407 TCL: Center of mass = 55.7266652172 -1.757287623 -3.70439819169 TCL: atom 1: phi = 1.03617117262 TCL: Center of mass = 55.7300102203 -1.75721380596 -3.70426326716 TCL: atom 1: phi = 1.0366814335 TCL: Center of mass = 55.7333561488 -1.75713932362 -3.70413623993 TCL: atom 1: phi = 1.03758585674 TCL: Center of mass = 55.7366993531 -1.7570702229 -3.70400702473 TCL: atom 1: phi = 1.03841613303 TCL: Center of mass = 55.740038886 -1.75700687916 -3.70388090121 TCL: atom 1: phi = 1.03942023245 TCL: Center of mass = 55.7433750502 -1.75694781928 -3.70375647593 TCL: atom 1: phi = 1.04021857011 TCL: Center of mass = 55.7467121764 -1.75689789516 -3.70362098929 TCL: atom 1: phi = 1.04110392106 TCL: Center of mass = 55.7500480209 -1.75683304054 -3.70349153881 TCL: atom 1: phi = 1.04173574412 TCL: Center of mass = 55.7533730191 -1.75675465526 -3.70337063298 TCL: atom 1: phi = 1.04249616737 TCL: Center of mass = 55.7567077272 -1.75668232657 -3.70326759446 TCL: atom 1: phi = 1.04303625552 TCL: Center of mass = 55.7600291959 -1.75660841056 -3.70316080092 TCL: atom 1: phi = 1.04373729981 TCL: Center of mass = 55.7633510154 -1.75654671875 -3.70304664819 TCL: atom 1: phi = 1.04424087297 TCL: Center of mass = 55.7666772263 -1.75649614795 -3.70293437957 TCL: atom 1: phi = 1.0449578387 TCL: Center of mass = 55.7700101451 -1.75643842907 -3.70282456577 TCL: atom 1: phi = 1.04545413659 TCL: Center of mass = 55.7733291202 -1.75638608293 -3.70271085619 TCL: atom 1: phi = 1.04604257861 TCL: Center of mass = 55.7766505841 -1.75633981313 -3.7025933917 TCL: atom 1: phi = 1.04637108587 TCL: Center of mass = 55.7799677941 -1.75629598471 -3.70248026533 TCL: atom 1: phi = 1.04677322684 TCL: Center of mass = 55.7832910387 -1.7562592129 -3.70235764737 TCL: atom 1: phi = 1.04692252575 TCL: Center of mass = 55.7866072204 -1.75622636148 -3.7022278354 TCL: atom 1: phi = 1.04723257256 TCL: Center of mass = 55.789925028 -1.75619542883 -3.70208648922 TCL: atom 1: phi = 1.04742088488 TCL: Center of mass = 55.7932477176 -1.75616002834 -3.7019547395 TCL: atom 1: phi = 1.04793743959 TCL: Center of mass = 55.7965538351 -1.75613668591 -3.7018183636 TCL: atom 1: phi = 1.0484581054 TCL: Center of mass = 55.7998658527 -1.75610904551 -3.70167939041 TCL: atom 1: phi = 1.04933698354 TCL: Center of mass = 55.803167587 -1.75607527963 -3.70154362878 TCL: atom 1: phi = 1.05011062222 TCL: Center of mass = 55.8064729519 -1.75603821037 -3.70141383387 TCL: atom 1: phi = 1.05114516698 TCL: Center of mass = 55.8097729729 -1.75600424492 -3.7012804937 TCL: atom 1: phi = 1.05198515753 TCL: Center of mass = 55.8130781667 -1.75597337221 -3.70113622472 TCL: atom 1: phi = 1.05303908565 TCL: Center of mass = 55.8163815805 -1.75594433058 -3.70098891312 TCL: atom 1: phi = 1.05384292822 TCL: Center of mass = 55.8196977118 -1.7559293963 -3.70083979859 TCL: atom 1: phi = 1.05484638631 TCL: Center of mass = 55.8230070861 -1.75591584029 -3.70069137345 TCL: atom 1: phi = 1.05560247256 TCL: Center of mass = 55.8263092953 -1.75590079569 -3.7005410494 TCL: atom 1: phi = 1.0566210214 TCL: Center of mass = 55.8296026325 -1.75588194413 -3.70039225424 TCL: atom 1: phi = 1.05739978645 TCL: Center of mass = 55.8328956909 -1.75585608193 -3.70024328456 TCL: atom 1: phi = 1.05842808285 TIMING: 18500 CPU: 3178.23, 0.172864/step Wall: 3885.68, 0.211393/step, 0.0880804 hours remaining, 22108 kB of memory in use. ENERGY: 18500 408.8733 685.8385 409.8345 42.2556 -2790.3925 -214.0993 0.0000 0.0000 1170.6627 -287.0273 319.0383 -278.8256 -277.1348 318.0266 1105.5153 905.5589 64000.0000 1446.9671 1448.6733 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18500 WRITING COORDINATES TO DCD FILE AT STEP 18500 WRITING COORDINATES TO RESTART FILE AT STEP 18500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 55.8361930583 -1.75581801069 -3.70008790648 TCL: atom 1: phi = 1.05922803149 TCL: Center of mass = 55.8394782608 -1.755776458 -3.69991968492 TCL: atom 1: phi = 1.06026758232 TCL: Center of mass = 55.8427681 -1.75573559846 -3.69974151265 TCL: atom 1: phi = 1.06102275301 TCL: Center of mass = 55.8460627967 -1.75570685433 -3.6995606999 TCL: atom 1: phi = 1.06194146505 TCL: Center of mass = 55.8493500603 -1.75568126862 -3.69937662077 TCL: atom 1: phi = 1.06247309005 TCL: Center of mass = 55.8526411499 -1.75564184839 -3.69919281027 TCL: atom 1: phi = 1.06312340646 TCL: Center of mass = 55.8559304633 -1.75560892323 -3.69902063591 TCL: atom 1: phi = 1.06339481802 TCL: Center of mass = 55.859227663 -1.75557870151 -3.69883629793 TCL: atom 1: phi = 1.06390320991 TCL: Center of mass = 55.8625287483 -1.7555503696 -3.69865253878 TCL: atom 1: phi = 1.0641280197 TCL: Center of mass = 55.8658350129 -1.75550730002 -3.69848797322 TCL: atom 1: phi = 1.06462886705 TCL: Center of mass = 55.8691364817 -1.75546048356 -3.69831271648 TCL: atom 1: phi = 1.06482390227 TCL: Center of mass = 55.8724287249 -1.75542186836 -3.69811629363 TCL: atom 1: phi = 1.06525396628 TCL: Center of mass = 55.8757263537 -1.75538296299 -3.69791838613 TCL: atom 1: phi = 1.0653872813 TCL: Center of mass = 55.8790364117 -1.755332804 -3.69771488912 TCL: atom 1: phi = 1.06563087394 TCL: Center of mass = 55.8823412766 -1.75528374938 -3.69751435055 TCL: atom 1: phi = 1.06546931681 TCL: Center of mass = 55.8856377507 -1.75522084769 -3.69731072574 TCL: atom 1: phi = 1.06537439066 TCL: Center of mass = 55.8889369794 -1.75514502946 -3.69711505016 TCL: atom 1: phi = 1.06483443305 TCL: Center of mass = 55.8922311641 -1.75506127114 -3.69692490949 TCL: atom 1: phi = 1.06443736022 TCL: Center of mass = 55.8955249942 -1.7549777473 -3.69674013466 TCL: atom 1: phi = 1.06369473771 TCL: Center of mass = 55.8988152679 -1.75490802599 -3.6965615261 TCL: atom 1: phi = 1.0631290498 TCL: Center of mass = 55.9021084886 -1.75483112007 -3.6963974755 TCL: atom 1: phi = 1.06234254122 TCL: Center of mass = 55.905393236 -1.75474742144 -3.6962385193 TCL: atom 1: phi = 1.06176423664 TCL: Center of mass = 55.9086695637 -1.75467013053 -3.69607635224 TCL: atom 1: phi = 1.06097825467 TCL: Center of mass = 55.9119481583 -1.75458486787 -3.69592187211 TCL: atom 1: phi = 1.06036898285 TCL: Center of mass = 55.9152215835 -1.75450071513 -3.69575991178 TCL: atom 1: phi = 1.05955764854 TCL: Center of mass = 55.9184918069 -1.75442498975 -3.6956097297 TCL: atom 1: phi = 1.05891009874 TCL: Center of mass = 55.9217627755 -1.75436324251 -3.69545930838 TCL: atom 1: phi = 1.05817204 TCL: Center of mass = 55.925024386 -1.75429038218 -3.69530326616 TCL: atom 1: phi = 1.05772952632 TCL: Center of mass = 55.9282957806 -1.75421547393 -3.69514088313 TCL: atom 1: phi = 1.05730789049 TCL: Center of mass = 55.9315565328 -1.75414606415 -3.69497712031 TCL: atom 1: phi = 1.05718586472 TCL: Center of mass = 55.9348193646 -1.75407492846 -3.69480900782 TCL: atom 1: phi = 1.05718597796 TCL: Center of mass = 55.9380760752 -1.75400277813 -3.69463798738 TCL: atom 1: phi = 1.0575339822 TCL: Center of mass = 55.9413349177 -1.75393493595 -3.69446562334 TCL: atom 1: phi = 1.05799718526 TCL: Center of mass = 55.9445837026 -1.75386114109 -3.69428994725 TCL: atom 1: phi = 1.05874270479 TCL: Center of mass = 55.947830126 -1.75378357516 -3.69410605139 TCL: atom 1: phi = 1.05942295214 TCL: Center of mass = 55.9510720146 -1.75370412829 -3.69393186575 TCL: atom 1: phi = 1.06027507883 TCL: Center of mass = 55.9543154678 -1.75363195678 -3.69377053633 TCL: atom 1: phi = 1.06096556973 TCL: Center of mass = 55.9575602547 -1.75355849484 -3.693609394 TCL: atom 1: phi = 1.06181258394 TCL: Center of mass = 55.9607981253 -1.75349040476 -3.69346181866 TCL: atom 1: phi = 1.0625041363 TCL: Center of mass = 55.96402749 -1.75342962512 -3.69330939151 TCL: atom 1: phi = 1.06339390808 TCL: Center of mass = 55.9672493077 -1.75337532954 -3.6931683088 TCL: atom 1: phi = 1.06414710925 TCL: Center of mass = 55.9704824088 -1.75332378912 -3.6930261464 TCL: atom 1: phi = 1.06503489759 TCL: Center of mass = 55.973724854 -1.75326853374 -3.69289268672 TCL: atom 1: phi = 1.06575387917 TCL: Center of mass = 55.9769760821 -1.75322832485 -3.69276279138 TCL: atom 1: phi = 1.06657455171 TCL: Center of mass = 55.9802261844 -1.75318790491 -3.69263660731 TCL: atom 1: phi = 1.06713552815 TCL: Center of mass = 55.9834731462 -1.75315204157 -3.69250906249 TCL: atom 1: phi = 1.0676572095 TCL: Center of mass = 55.9867183183 -1.75311626867 -3.69238832192 TCL: atom 1: phi = 1.06783940224 TCL: Center of mass = 55.989965519 -1.7530725527 -3.69228164772 TCL: atom 1: phi = 1.06804145282 TCL: Center of mass = 55.9932260405 -1.75302294676 -3.69217499451 TCL: atom 1: phi = 1.06792760907 TCL: Center of mass = 55.9964927209 -1.75297716079 -3.69206902785 TCL: atom 1: phi = 1.06788788514 TCL: Center of mass = 55.9997668021 -1.75292802295 -3.69196928636 TCL: atom 1: phi = 1.06766127156 TCL: Center of mass = 56.0030396303 -1.75287851908 -3.69186583975 TCL: atom 1: phi = 1.0675870132 TCL: Center of mass = 56.0063259893 -1.75283383433 -3.69177651726 TCL: atom 1: phi = 1.0673512206 TCL: Center of mass = 56.0096102657 -1.75278553353 -3.69168815098 TCL: atom 1: phi = 1.06719107112 TCL: Center of mass = 56.0128857961 -1.7527369202 -3.69160125248 TCL: atom 1: phi = 1.06675097289 TCL: Center of mass = 56.0161591712 -1.75269770762 -3.69151331828 TCL: atom 1: phi = 1.06636968263 TCL: Center of mass = 56.019435154 -1.75264673053 -3.69142763275 TCL: atom 1: phi = 1.06570923246 TCL: Center of mass = 56.0227074853 -1.75259658717 -3.69133997232 TCL: atom 1: phi = 1.06510022233 TCL: Center of mass = 56.0259761288 -1.75253770449 -3.69125348208 TCL: atom 1: phi = 1.06427930584 TCL: Center of mass = 56.0292383925 -1.75248436232 -3.69115841226 TCL: atom 1: phi = 1.06364802045 TCL: Center of mass = 56.0325102707 -1.75241921379 -3.691058554 TCL: atom 1: phi = 1.06292061306 TCL: Center of mass = 56.0357775472 -1.75235491406 -3.69095547735 TCL: atom 1: phi = 1.06248163517 TCL: Center of mass = 56.0390500622 -1.75229282231 -3.69085348486 TCL: atom 1: phi = 1.06204942713 TCL: Center of mass = 56.0423297127 -1.75222483611 -3.69074999875 TCL: atom 1: phi = 1.06194324336 TCL: Center of mass = 56.0456178542 -1.75215288616 -3.69065200201 TCL: atom 1: phi = 1.06181919419 TCL: Center of mass = 56.0489090733 -1.75208467792 -3.6905573503 TCL: atom 1: phi = 1.06198048618 TCL: Center of mass = 56.0521993502 -1.75201573717 -3.69045856078 TCL: atom 1: phi = 1.0620641689 TCL: Center of mass = 56.0554906358 -1.75194997471 -3.69036740356 TCL: atom 1: phi = 1.06239181303 TCL: Center of mass = 56.0587845292 -1.75187397184 -3.69027035897 TCL: atom 1: phi = 1.06267011692 TCL: Center of mass = 56.0620776594 -1.75179871376 -3.69017703482 TCL: atom 1: phi = 1.06323521433 TCL: Center of mass = 56.0653613144 -1.75172202641 -3.69007653439 TCL: atom 1: phi = 1.06382342101 TCL: Center of mass = 56.0686425503 -1.75166119052 -3.68996604843 TCL: atom 1: phi = 1.06474466673 TCL: Center of mass = 56.0719163841 -1.75158990366 -3.68986161315 TCL: atom 1: phi = 1.06565948721 TCL: Center of mass = 56.0751796032 -1.75152105183 -3.68975160378 TCL: atom 1: phi = 1.06681580704 TCL: Center of mass = 56.0784371508 -1.75143521832 -3.68962926172 TCL: atom 1: phi = 1.06777342356 TCL: Center of mass = 56.0817031192 -1.75134136926 -3.68950974599 TCL: atom 1: phi = 1.06874410007 TCL: Center of mass = 56.0849681722 -1.75125007461 -3.6893987516 TCL: atom 1: phi = 1.0693585243 TCL: Center of mass = 56.0882213554 -1.75115954737 -3.68928745152 TCL: atom 1: phi = 1.0699407661 TCL: Center of mass = 56.0914655337 -1.7510752588 -3.68917168473 TCL: atom 1: phi = 1.07016128326 TCL: Center of mass = 56.0947127412 -1.75099536107 -3.68905186481 TCL: atom 1: phi = 1.07037340167 TCL: Center of mass = 56.0979761732 -1.75091631344 -3.6889349343 TCL: atom 1: phi = 1.07022472206 TCL: Center of mass = 56.1012302839 -1.75083783133 -3.68881631478 TCL: atom 1: phi = 1.0701394075 TCL: Center of mass = 56.1044767408 -1.75076154433 -3.68869490638 TCL: atom 1: phi = 1.06973044541 TCL: Center of mass = 56.1077334776 -1.75068521092 -3.68858647423 TCL: atom 1: phi = 1.0694205642 TCL: Center of mass = 56.1110012192 -1.75060630605 -3.68847786634 TCL: atom 1: phi = 1.06878067199 TCL: Center of mass = 56.1142783882 -1.75053530667 -3.68837719505 TCL: atom 1: phi = 1.06823796052 TCL: Center of mass = 56.1175567558 -1.75047408218 -3.68827537167 TCL: atom 1: phi = 1.06736637393 TCL: Center of mass = 56.12084261 -1.75041086501 -3.68817214198 TCL: atom 1: phi = 1.06652969334 TCL: Center of mass = 56.1241195169 -1.75034823852 -3.68806739782 TCL: atom 1: phi = 1.06545314777 TCL: Center of mass = 56.1273968373 -1.75028076914 -3.68796097059 TCL: atom 1: phi = 1.06458062256 TCL: Center of mass = 56.1306769399 -1.75022142482 -3.6878505475 TCL: atom 1: phi = 1.0636517918 TCL: Center of mass = 56.1339435548 -1.75014678489 -3.68773243686 TCL: atom 1: phi = 1.06303290743 TCL: Center of mass = 56.137209489 -1.75006167793 -3.68760992163 TCL: atom 1: phi = 1.06234026947 TCL: Center of mass = 56.1404728127 -1.74997308455 -3.68747954801 TCL: atom 1: phi = 1.06194168344 TCL: Center of mass = 56.1437243469 -1.74987224719 -3.68733573146 TCL: atom 1: phi = 1.06148515002 TCL: Center of mass = 56.1469782903 -1.74976752408 -3.68718837863 TCL: atom 1: phi = 1.06125411546 TCL: Center of mass = 56.1502342433 -1.74966252843 -3.68703331293 TCL: atom 1: phi = 1.06087785284 TCL: Center of mass = 56.1534901699 -1.74955698708 -3.68687564965 TCL: atom 1: phi = 1.06067474843 TCL: Center of mass = 56.1567479643 -1.74944971591 -3.686710441 TCL: atom 1: phi = 1.0602820302 TCL: Center of mass = 56.1599982901 -1.74934537727 -3.68655541054 TCL: atom 1: phi = 1.06010158164 TIMING: 18600 CPU: 3195.89, 0.176633/step Wall: 3907.13, 0.214489/step, 0.0834125 hours remaining, 22108 kB of memory in use. ENERGY: 18600 405.0207 714.9918 394.0518 45.6750 -2743.8347 -232.0047 0.0000 0.0000 1148.5589 -267.5411 313.0144 -258.7204 -259.4244 318.8564 1439.5205 1133.6203 64000.0000 1110.6330 1105.6530 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18600 WRITING COORDINATES TO DCD FILE AT STEP 18600 WRITING COORDINATES TO RESTART FILE AT STEP 18600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 56.1632500622 -1.74925526298 -3.68639898463 TCL: atom 1: phi = 1.05980328378 TCL: Center of mass = 56.1665082494 -1.74915902286 -3.68623689466 TCL: atom 1: phi = 1.0597923953 TCL: Center of mass = 56.1697699812 -1.74905958413 -3.68607160033 TCL: atom 1: phi = 1.05972248125 TCL: Center of mass = 56.1730377854 -1.74895688976 -3.68589948545 TCL: atom 1: phi = 1.05994525142 TCL: Center of mass = 56.1762945018 -1.7488559986 -3.68572872089 TCL: atom 1: phi = 1.0601333015 TCL: Center of mass = 56.1795526977 -1.74876917726 -3.68555489226 TCL: atom 1: phi = 1.06059637909 TCL: Center of mass = 56.1828166438 -1.74869248679 -3.68537448628 TCL: atom 1: phi = 1.06084459544 TCL: Center of mass = 56.1860788161 -1.74861478703 -3.68519202155 TCL: atom 1: phi = 1.06132607752 TCL: Center of mass = 56.1893429091 -1.74853588046 -3.68499735224 TCL: atom 1: phi = 1.06161534743 TCL: Center of mass = 56.1926176352 -1.74845682703 -3.68479807653 TCL: atom 1: phi = 1.06214552255 TCL: Center of mass = 56.1958857502 -1.74837988769 -3.6846084754 TCL: atom 1: phi = 1.06252357967 TCL: Center of mass = 56.199160567 -1.74829730422 -3.68440942665 TCL: atom 1: phi = 1.06317809574 TCL: Center of mass = 56.2024411626 -1.74822246302 -3.68421011057 TCL: atom 1: phi = 1.06366136565 TCL: Center of mass = 56.2057236917 -1.74814850124 -3.68401703786 TCL: atom 1: phi = 1.0644724454 TCL: Center of mass = 56.2090178231 -1.74808291633 -3.68383335733 TCL: atom 1: phi = 1.06504144283 TCL: Center of mass = 56.2123103836 -1.74802267388 -3.68365466087 TCL: atom 1: phi = 1.06581021324 TCL: Center of mass = 56.2156002178 -1.74795702038 -3.68348347998 TCL: atom 1: phi = 1.06618904432 TCL: Center of mass = 56.2188833853 -1.74789491387 -3.68329734603 TCL: atom 1: phi = 1.06669432128 TCL: Center of mass = 56.2221675979 -1.74783698904 -3.68311019378 TCL: atom 1: phi = 1.06674214201 TCL: Center of mass = 56.2254525941 -1.74777453038 -3.68293487936 TCL: atom 1: phi = 1.06690058279 TCL: Center of mass = 56.2287289114 -1.74770124207 -3.68276543823 TCL: atom 1: phi = 1.06666238533 TCL: Center of mass = 56.2320047103 -1.74762104965 -3.68260563109 TCL: atom 1: phi = 1.06661646863 TCL: Center of mass = 56.235279243 -1.74753068027 -3.68244398598 TCL: atom 1: phi = 1.06626045271 TCL: Center of mass = 56.2385509963 -1.74743358906 -3.68228074589 TCL: atom 1: phi = 1.06621075327 TCL: Center of mass = 56.2418215504 -1.74732872395 -3.68212420302 TCL: atom 1: phi = 1.06585011726 TCL: Center of mass = 56.2450995188 -1.74722164496 -3.68195997345 TCL: atom 1: phi = 1.06578547484 TCL: Center of mass = 56.2483675715 -1.74711055639 -3.68179549513 TCL: atom 1: phi = 1.0653322788 TCL: Center of mass = 56.2516433659 -1.74699456719 -3.68165117752 TCL: atom 1: phi = 1.06513094339 TCL: Center of mass = 56.2549212645 -1.74687596144 -3.68151041142 TCL: atom 1: phi = 1.06451909552 TCL: Center of mass = 56.2582041759 -1.74676754723 -3.681361054 TCL: atom 1: phi = 1.06416159349 TCL: Center of mass = 56.261490404 -1.74665930449 -3.68120945429 TCL: atom 1: phi = 1.06342768392 TCL: Center of mass = 56.2647856572 -1.74655141628 -3.68106532179 TCL: atom 1: phi = 1.06304552197 TCL: Center of mass = 56.2680811348 -1.7464388743 -3.68092570929 TCL: atom 1: phi = 1.06237734035 TCL: Center of mass = 56.2713827761 -1.74632639257 -3.68078186808 TCL: atom 1: phi = 1.06205894011 TCL: Center of mass = 56.2746779017 -1.74621428411 -3.68064705842 TCL: atom 1: phi = 1.06142618116 TCL: Center of mass = 56.2779616459 -1.74609207289 -3.6805088868 TCL: atom 1: phi = 1.06108305182 TCL: Center of mass = 56.2812461726 -1.74596592084 -3.68036961084 TCL: atom 1: phi = 1.06032091594 TCL: Center of mass = 56.2845305708 -1.74583877325 -3.68023303202 TCL: atom 1: phi = 1.05971652613 TCL: Center of mass = 56.287820358 -1.74571030259 -3.68009675326 TCL: atom 1: phi = 1.05863048063 TCL: Center of mass = 56.2911141337 -1.74558425959 -3.67996381617 TCL: atom 1: phi = 1.05767881735 TCL: Center of mass = 56.2944046312 -1.74545279199 -3.67983780702 TCL: atom 1: phi = 1.05629823505 TCL: Center of mass = 56.2976905061 -1.74532525361 -3.6797124019 TCL: atom 1: phi = 1.05507065198 TCL: Center of mass = 56.3009775928 -1.74520193823 -3.6795911706 TCL: atom 1: phi = 1.05354643919 TCL: Center of mass = 56.3042570884 -1.74507953698 -3.67946685959 TCL: atom 1: phi = 1.05228658647 TCL: Center of mass = 56.307537393 -1.74495686762 -3.67933858185 TCL: atom 1: phi = 1.05082650269 TCL: Center of mass = 56.3108062348 -1.74483635007 -3.67920376131 TCL: atom 1: phi = 1.04969184977 TCL: Center of mass = 56.3140859869 -1.74472149186 -3.67907410543 TCL: atom 1: phi = 1.04839631428 TCL: Center of mass = 56.3173745832 -1.74460326081 -3.67893471603 TCL: atom 1: phi = 1.04740683867 TCL: Center of mass = 56.3206656801 -1.74447924306 -3.67879958081 TCL: atom 1: phi = 1.04624670211 TCL: Center of mass = 56.3239556061 -1.74435883568 -3.67865964314 TCL: atom 1: phi = 1.04535813019 TCL: Center of mass = 56.3272468805 -1.74421329092 -3.67853118222 TCL: atom 1: phi = 1.04432447048 TCL: Center of mass = 56.3305320893 -1.7440678128 -3.67839893692 TCL: atom 1: phi = 1.04356450308 TCL: Center of mass = 56.3338241679 -1.74391087148 -3.67827773157 TCL: atom 1: phi = 1.04271186626 TCL: Center of mass = 56.3371072653 -1.74375568602 -3.67815072935 TCL: atom 1: phi = 1.04217624274 TCL: Center of mass = 56.340393897 -1.74359863808 -3.67802444445 TCL: atom 1: phi = 1.04154570356 TCL: Center of mass = 56.3436787257 -1.74345212664 -3.67790297797 TCL: atom 1: phi = 1.04127355754 TCL: Center of mass = 56.3469564668 -1.74331086241 -3.67779037932 TCL: atom 1: phi = 1.04085120888 TCL: Center of mass = 56.3502381914 -1.74316999461 -3.6776773792 TCL: atom 1: phi = 1.04066497349 TCL: Center of mass = 56.3535117601 -1.74302426703 -3.67755933338 TCL: atom 1: phi = 1.0402820195 TCL: Center of mass = 56.3568025354 -1.74287242559 -3.67744354154 TCL: atom 1: phi = 1.04010470544 TCL: Center of mass = 56.3600970295 -1.74271830667 -3.67732211436 TCL: atom 1: phi = 1.03969787341 TCL: Center of mass = 56.3633939948 -1.74255546955 -3.67720514995 TCL: atom 1: phi = 1.03949587189 TCL: Center of mass = 56.3666880117 -1.74238029474 -3.67708726667 TCL: atom 1: phi = 1.0391537693 TCL: Center of mass = 56.3699806595 -1.74219386428 -3.67698513404 TCL: atom 1: phi = 1.03911334236 TCL: Center of mass = 56.3732642422 -1.7420092551 -3.6768895236 TCL: atom 1: phi = 1.03899464838 TCL: Center of mass = 56.3765550246 -1.74182227328 -3.67679388288 TCL: atom 1: phi = 1.03920167904 TCL: Center of mass = 56.3798639152 -1.74164040679 -3.67669064925 TCL: atom 1: phi = 1.03928246935 TCL: Center of mass = 56.3831717402 -1.74147059617 -3.67658486695 TCL: atom 1: phi = 1.03961825202 TCL: Center of mass = 56.3864663291 -1.7412975947 -3.67647828569 TCL: atom 1: phi = 1.03981300919 TCL: Center of mass = 56.3897757428 -1.74111750967 -3.67637038957 TCL: atom 1: phi = 1.04021050182 TCL: Center of mass = 56.3930815731 -1.74093839797 -3.67626517477 TCL: atom 1: phi = 1.04036607738 TCL: Center of mass = 56.396387211 -1.74076152969 -3.67616528845 TCL: atom 1: phi = 1.04067710737 TCL: Center of mass = 56.3997002718 -1.74058564199 -3.67606526541 TCL: atom 1: phi = 1.04075383862 TCL: Center of mass = 56.4030142255 -1.74039966743 -3.67596050282 TCL: atom 1: phi = 1.04107528393 TCL: Center of mass = 56.4063354254 -1.74020806331 -3.67585692785 TCL: atom 1: phi = 1.04120309062 TCL: Center of mass = 56.4096598521 -1.74001169633 -3.67574624671 TCL: atom 1: phi = 1.04156477833 TCL: Center of mass = 56.4129758065 -1.73982348737 -3.67562253871 TCL: atom 1: phi = 1.04168902253 TCL: Center of mass = 56.4163004549 -1.73962941671 -3.67550209316 TCL: atom 1: phi = 1.04197297524 TCL: Center of mass = 56.4196458801 -1.73944085356 -3.67538338405 TCL: atom 1: phi = 1.04190901292 TCL: Center of mass = 56.423002643 -1.7392552222 -3.67527368997 TCL: atom 1: phi = 1.04193614595 TCL: Center of mass = 56.4263635816 -1.73906904878 -3.67516159598 TCL: atom 1: phi = 1.04161903872 TCL: Center of mass = 56.4297215392 -1.73889912093 -3.67504638598 TCL: atom 1: phi = 1.04141714213 TCL: Center of mass = 56.4330834061 -1.73872840233 -3.67492050827 TCL: atom 1: phi = 1.04088300172 TCL: Center of mass = 56.4364511134 -1.7385610054 -3.67479750106 TCL: atom 1: phi = 1.04057771518 TCL: Center of mass = 56.4398167395 -1.73840329895 -3.67467950464 TCL: atom 1: phi = 1.04012798815 TCL: Center of mass = 56.4431963129 -1.738254352 -3.67455780441 TCL: atom 1: phi = 1.03997884699 TCL: Center of mass = 56.446574535 -1.73810242346 -3.67443639216 TCL: atom 1: phi = 1.03966885644 TCL: Center of mass = 56.4499439825 -1.73794887373 -3.67430412615 TCL: atom 1: phi = 1.03965672186 TCL: Center of mass = 56.4533111673 -1.73778315671 -3.67418378275 TCL: atom 1: phi = 1.03944649553 TCL: Center of mass = 56.4566794708 -1.73760967033 -3.67406536436 TCL: atom 1: phi = 1.0394885927 TCL: Center of mass = 56.4600420927 -1.73743625329 -3.67395019115 TCL: atom 1: phi = 1.03935185403 TCL: Center of mass = 56.4634077585 -1.73726820386 -3.67384207509 TCL: atom 1: phi = 1.03946327392 TCL: Center of mass = 56.4667711736 -1.73710486355 -3.67373506566 TCL: atom 1: phi = 1.03945545776 TCL: Center of mass = 56.4701378135 -1.73695247787 -3.6736295695 TCL: atom 1: phi = 1.03978112669 TCL: Center of mass = 56.4735111797 -1.73679316515 -3.67352072614 TCL: atom 1: phi = 1.040080579 TCL: Center of mass = 56.4768919872 -1.73662874403 -3.67340950911 TCL: atom 1: phi = 1.0407346194 TCL: Center of mass = 56.4802606229 -1.73647228808 -3.67330498535 TCL: atom 1: phi = 1.04133054251 TCL: Center of mass = 56.4836329795 -1.73631530473 -3.67319863955 TCL: atom 1: phi = 1.04220771018 TCL: Center of mass = 56.4870123108 -1.73616705589 -3.67308844219 TCL: atom 1: phi = 1.04293012259 TCL: Center of mass = 56.4903918006 -1.736011117 -3.67298524298 TCL: atom 1: phi = 1.04379686659 TIMING: 18700 CPU: 3213.25, 0.173524/step Wall: 3928.24, 0.21106/step, 0.0762161 hours remaining, 22108 kB of memory in use. ENERGY: 18700 380.5027 679.5802 403.5277 40.5200 -2764.3632 -220.1585 0.0000 0.0000 1209.7674 -270.6237 329.6954 -261.6900 -262.3641 319.4966 1509.4411 1481.4092 64000.0000 1087.8930 1087.5057 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18700 WRITING COORDINATES TO DCD FILE AT STEP 18700 WRITING COORDINATES TO RESTART FILE AT STEP 18700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 56.4937678865 -1.73584697692 -3.67288610331 TCL: atom 1: phi = 1.04436173099 TCL: Center of mass = 56.497148173 -1.73567355234 -3.67277693001 TCL: atom 1: phi = 1.04507605116 TCL: Center of mass = 56.5005247209 -1.7355213608 -3.67266343968 TCL: atom 1: phi = 1.04541460842 TCL: Center of mass = 56.5038970406 -1.73536534167 -3.67254417732 TCL: atom 1: phi = 1.04589484564 TCL: Center of mass = 56.5072703569 -1.73521086801 -3.67241240437 TCL: atom 1: phi = 1.04610882954 TCL: Center of mass = 56.5106356784 -1.7350614146 -3.67228281562 TCL: atom 1: phi = 1.04658878791 TCL: Center of mass = 56.5140006643 -1.7349183774 -3.67216973758 TCL: atom 1: phi = 1.04683203269 TCL: Center of mass = 56.5173499742 -1.7347857675 -3.67205270395 TCL: atom 1: phi = 1.04726531537 TCL: Center of mass = 56.5206940916 -1.73464450894 -3.6719397207 TCL: atom 1: phi = 1.04740772565 TCL: Center of mass = 56.5240415691 -1.73450460804 -3.67183094014 TCL: atom 1: phi = 1.04769276899 TCL: Center of mass = 56.5273839204 -1.73436250627 -3.67172525827 TCL: atom 1: phi = 1.04770180869 TCL: Center of mass = 56.5307342832 -1.73421492565 -3.67161742777 TCL: atom 1: phi = 1.04782512272 TCL: Center of mass = 56.5340829329 -1.73406027047 -3.67151423207 TCL: atom 1: phi = 1.0476449398 TCL: Center of mass = 56.5374297659 -1.73389845547 -3.67140134437 TCL: atom 1: phi = 1.04761657038 TCL: Center of mass = 56.5407797493 -1.73373635016 -3.67127342201 TCL: atom 1: phi = 1.0474038572 TCL: Center of mass = 56.5441122467 -1.73357543449 -3.67114366771 TCL: atom 1: phi = 1.04739288865 TCL: Center of mass = 56.5474470122 -1.73341336284 -3.67101390027 TCL: atom 1: phi = 1.04718377016 TCL: Center of mass = 56.5507796958 -1.73325512632 -3.67087994328 TCL: atom 1: phi = 1.04721467803 TCL: Center of mass = 56.5541021791 -1.73311038882 -3.67075355229 TCL: atom 1: phi = 1.04708360968 TCL: Center of mass = 56.5574243273 -1.73296323002 -3.67062209603 TCL: atom 1: phi = 1.04710578785 TCL: Center of mass = 56.5607569041 -1.73280820947 -3.67050065394 TCL: atom 1: phi = 1.04686893845 TCL: Center of mass = 56.564096627 -1.73264920453 -3.67038452143 TCL: atom 1: phi = 1.04673915406 TCL: Center of mass = 56.5674318766 -1.73249799883 -3.67027178869 TCL: atom 1: phi = 1.04641201067 TCL: Center of mass = 56.5707716884 -1.73234236296 -3.6701633648 TCL: atom 1: phi = 1.0462199127 TCL: Center of mass = 56.5741065613 -1.73218592564 -3.67006166441 TCL: atom 1: phi = 1.04587754278 TCL: Center of mass = 56.5774454448 -1.73202955754 -3.66995643103 TCL: atom 1: phi = 1.04578172494 TCL: Center of mass = 56.5807914822 -1.73187097104 -3.66984141174 TCL: atom 1: phi = 1.04566238665 TCL: Center of mass = 56.5841214934 -1.73172352717 -3.66972085007 TCL: atom 1: phi = 1.04577096186 TCL: Center of mass = 56.5874562203 -1.73157079089 -3.66960268478 TCL: atom 1: phi = 1.04576109097 TCL: Center of mass = 56.590782868 -1.73143067214 -3.6694782453 TCL: atom 1: phi = 1.04595535634 TCL: Center of mass = 56.5941177239 -1.73129680573 -3.6693461746 TCL: atom 1: phi = 1.04598617908 TCL: Center of mass = 56.5974436715 -1.73116197398 -3.66920885986 TCL: atom 1: phi = 1.04616695166 TCL: Center of mass = 56.6007640458 -1.73102618556 -3.66907178393 TCL: atom 1: phi = 1.04618755527 TCL: Center of mass = 56.6040790587 -1.73089315517 -3.66894063691 TCL: atom 1: phi = 1.04648148294 TCL: Center of mass = 56.6073971745 -1.73075136488 -3.66881461875 TCL: atom 1: phi = 1.04671940909 TCL: Center of mass = 56.610716478 -1.7306059583 -3.66870384257 TCL: atom 1: phi = 1.04724766506 TCL: Center of mass = 56.6140356194 -1.7304558383 -3.66859735097 TCL: atom 1: phi = 1.0477658302 TCL: Center of mass = 56.6173510579 -1.73031193205 -3.66850210966 TCL: atom 1: phi = 1.04858044188 TCL: Center of mass = 56.6206686197 -1.7301624272 -3.66840639992 TCL: atom 1: phi = 1.04935716404 TCL: Center of mass = 56.6239777871 -1.73002799627 -3.66830600349 TCL: atom 1: phi = 1.05038127582 TCL: Center of mass = 56.627290974 -1.72989885367 -3.66820686893 TCL: atom 1: phi = 1.05122186046 TCL: Center of mass = 56.6306002349 -1.72977126528 -3.6681066955 TCL: atom 1: phi = 1.05222151743 TCL: Center of mass = 56.6339168832 -1.72965254655 -3.66800897256 TCL: atom 1: phi = 1.0529980335 TCL: Center of mass = 56.6372357485 -1.72953473441 -3.66791293497 TCL: atom 1: phi = 1.05392153331 TCL: Center of mass = 56.6405536377 -1.72942317186 -3.66781099244 TCL: atom 1: phi = 1.05468355793 TCL: Center of mass = 56.6438771318 -1.72931147306 -3.66771384173 TCL: atom 1: phi = 1.05566166322 TCL: Center of mass = 56.6472104232 -1.72920214456 -3.66760038943 TCL: atom 1: phi = 1.05654339408 TCL: Center of mass = 56.6505442424 -1.72909796449 -3.66749319965 TCL: atom 1: phi = 1.05765159228 TCL: Center of mass = 56.6538828409 -1.72900525092 -3.66738542599 TCL: atom 1: phi = 1.05857698939 TCL: Center of mass = 56.6572106378 -1.7289060064 -3.66727033077 TCL: atom 1: phi = 1.05971187447 TCL: Center of mass = 56.6605248849 -1.72879582904 -3.66716091002 TCL: atom 1: phi = 1.06056188006 TCL: Center of mass = 56.6638318235 -1.72867667368 -3.66704751006 TCL: atom 1: phi = 1.06152256787 TCL: Center of mass = 56.6671300662 -1.72855737298 -3.66692739822 TCL: atom 1: phi = 1.06214354756 TCL: Center of mass = 56.6704341289 -1.72844751082 -3.6667988069 TCL: atom 1: phi = 1.06282429421 TCL: Center of mass = 56.6737417393 -1.72833251528 -3.66667858517 TCL: atom 1: phi = 1.06317273707 TCL: Center of mass = 56.6770531402 -1.72822035663 -3.6665654593 TCL: atom 1: phi = 1.06364229214 TCL: Center of mass = 56.6803697666 -1.72811217426 -3.66645227947 TCL: atom 1: phi = 1.06378576078 TCL: Center of mass = 56.683687032 -1.72799866148 -3.66634615611 TCL: atom 1: phi = 1.06410623576 TCL: Center of mass = 56.6870125679 -1.72788085518 -3.66623293247 TCL: atom 1: phi = 1.06413393424 TCL: Center of mass = 56.6903443574 -1.72776847928 -3.66612702479 TCL: atom 1: phi = 1.06437930314 TCL: Center of mass = 56.6936866301 -1.7276521607 -3.66602178265 TCL: atom 1: phi = 1.06430317121 TCL: Center of mass = 56.6970313267 -1.72754315368 -3.66591429637 TCL: atom 1: phi = 1.06438876538 TCL: Center of mass = 56.7003671045 -1.72743171132 -3.66582329038 TCL: atom 1: phi = 1.06416424118 TCL: Center of mass = 56.7037017003 -1.72732179441 -3.66572690424 TCL: atom 1: phi = 1.06412368076 TCL: Center of mass = 56.7070367189 -1.72721203038 -3.66562691818 TCL: atom 1: phi = 1.06378163485 TCL: Center of mass = 56.7103754783 -1.72709995388 -3.66551792845 TCL: atom 1: phi = 1.06374987179 TCL: Center of mass = 56.7137109786 -1.72699464168 -3.66540217193 TCL: atom 1: phi = 1.06358739778 TCL: Center of mass = 56.7170466801 -1.72689000981 -3.66528559975 TCL: atom 1: phi = 1.06378137924 TCL: Center of mass = 56.7203825638 -1.72678746331 -3.66517732065 TCL: atom 1: phi = 1.0638528971 TCL: Center of mass = 56.7237098881 -1.72667642124 -3.6650600648 TCL: atom 1: phi = 1.06427819995 TCL: Center of mass = 56.72705198 -1.72657773388 -3.66494735432 TCL: atom 1: phi = 1.06450581152 TCL: Center of mass = 56.7303831197 -1.72648168791 -3.66484375222 TCL: atom 1: phi = 1.0650591496 TCL: Center of mass = 56.7337141766 -1.72639262963 -3.66475274282 TCL: atom 1: phi = 1.06531927904 TCL: Center of mass = 56.7370439174 -1.72630921539 -3.66464739842 TCL: atom 1: phi = 1.06581767514 TCL: Center of mass = 56.7403672857 -1.72623232046 -3.66454692315 TCL: atom 1: phi = 1.06598467154 TCL: Center of mass = 56.7437022052 -1.72614754746 -3.66444551613 TCL: atom 1: phi = 1.06644035934 TCL: Center of mass = 56.7470285184 -1.72606807096 -3.66434655154 TCL: atom 1: phi = 1.06656151559 TCL: Center of mass = 56.7503538893 -1.72598874257 -3.66425404369 TCL: atom 1: phi = 1.06701741994 TCL: Center of mass = 56.7536633944 -1.72591299986 -3.66416309603 TCL: atom 1: phi = 1.06723573658 TCL: Center of mass = 56.7569745105 -1.72583318386 -3.66406319225 TCL: atom 1: phi = 1.06780507619 TCL: Center of mass = 56.760280098 -1.7257527476 -3.6639502288 TCL: atom 1: phi = 1.06807512533 TCL: Center of mass = 56.7635817279 -1.72566387592 -3.66382303374 TCL: atom 1: phi = 1.06870487743 TCL: Center of mass = 56.766878051 -1.72559499044 -3.66369857349 TCL: atom 1: phi = 1.06906197536 TCL: Center of mass = 56.7701594769 -1.72551832995 -3.66356925931 TCL: atom 1: phi = 1.06974908532 TCL: Center of mass = 56.7734563985 -1.72543129534 -3.66344062443 TCL: atom 1: phi = 1.0700875554 TCL: Center of mass = 56.7767596431 -1.72533257542 -3.66331762652 TCL: atom 1: phi = 1.07077050524 TCL: Center of mass = 56.7800578615 -1.72523701014 -3.66318698662 TCL: atom 1: phi = 1.07113906083 TCL: Center of mass = 56.7833602938 -1.72514380944 -3.66304293175 TCL: atom 1: phi = 1.07187343382 TCL: Center of mass = 56.7866453451 -1.72504944362 -3.66290087121 TCL: atom 1: phi = 1.07233146578 TCL: Center of mass = 56.7899246885 -1.72495460496 -3.66276935701 TCL: atom 1: phi = 1.07313910291 TCL: Center of mass = 56.7932148748 -1.7248680286 -3.66263894566 TCL: atom 1: phi = 1.07362445921 TCL: Center of mass = 56.7965097377 -1.72477889168 -3.66250082003 TCL: atom 1: phi = 1.07440263382 TCL: Center of mass = 56.7998120245 -1.72469706654 -3.66236704406 TCL: atom 1: phi = 1.07467803152 TCL: Center of mass = 56.8031195894 -1.72461001191 -3.6622287198 TCL: atom 1: phi = 1.07509104599 TCL: Center of mass = 56.8064285221 -1.72451645599 -3.66208757392 TCL: atom 1: phi = 1.07493107032 TCL: Center of mass = 56.8097443954 -1.72442298934 -3.66194203368 TCL: atom 1: phi = 1.07485437518 TCL: Center of mass = 56.8130549997 -1.72434550219 -3.66179219954 TCL: atom 1: phi = 1.07420824094 TCL: Center of mass = 56.8163741398 -1.72427081684 -3.66164111401 TCL: atom 1: phi = 1.07366410179 TCL: Center of mass = 56.8197046335 -1.72419312227 -3.66149283689 TCL: atom 1: phi = 1.07267058832 TCL: Center of mass = 56.8230335223 -1.72412533384 -3.66134958578 TCL: atom 1: phi = 1.07188616474 TIMING: 18800 CPU: 3230.51, 0.172654/step Wall: 3949.38, 0.211427/step, 0.0704755 hours remaining, 22108 kB of memory in use. ENERGY: 18800 419.3456 682.6160 401.5766 37.1759 -2773.2463 -213.1751 0.0000 0.0000 1180.0218 -265.6856 321.5889 -257.2584 -255.8101 317.8760 823.9372 935.5677 64000.0000 1234.9065 1233.6655 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18800 WRITING COORDINATES TO DCD FILE AT STEP 18800 WRITING COORDINATES TO RESTART FILE AT STEP 18800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 56.8263640712 -1.72406609988 -3.66119396033 TCL: atom 1: phi = 1.070720716 TCL: Center of mass = 56.8297044646 -1.72399856108 -3.66103927641 TCL: atom 1: phi = 1.06979546834 TCL: Center of mass = 56.8330332643 -1.72394125099 -3.66088901737 TCL: atom 1: phi = 1.06850019066 TCL: Center of mass = 56.8363444338 -1.72389000499 -3.66074465406 TCL: atom 1: phi = 1.06736839426 TCL: Center of mass = 56.8396552151 -1.72383777753 -3.66060813477 TCL: atom 1: phi = 1.0659447901 TCL: Center of mass = 56.8429578416 -1.72378090521 -3.66047292334 TCL: atom 1: phi = 1.0647551581 TCL: Center of mass = 56.8462564137 -1.7237162123 -3.66032598906 TCL: atom 1: phi = 1.06341394042 TCL: Center of mass = 56.8495553543 -1.72365581452 -3.66017890071 TCL: atom 1: phi = 1.06244529652 TCL: Center of mass = 56.8528470878 -1.72360253739 -3.66001211878 TCL: atom 1: phi = 1.06145092943 TCL: Center of mass = 56.8561469047 -1.72354082795 -3.65986580826 TCL: atom 1: phi = 1.06092259836 TCL: Center of mass = 56.8594400925 -1.72347539796 -3.65971972393 TCL: atom 1: phi = 1.0604189655 TCL: Center of mass = 56.8627349653 -1.72341536913 -3.65957484167 TCL: atom 1: phi = 1.0603798757 TCL: Center of mass = 56.8660286452 -1.72336159782 -3.65943243948 TCL: atom 1: phi = 1.06032044795 TCL: Center of mass = 56.8693376677 -1.72331377854 -3.65929331018 TCL: atom 1: phi = 1.06059277859 TCL: Center of mass = 56.8726422209 -1.72327114061 -3.65914739872 TCL: atom 1: phi = 1.06071445078 TCL: Center of mass = 56.8759509516 -1.72322900535 -3.65900317742 TCL: atom 1: phi = 1.06108962813 TCL: Center of mass = 56.8792576649 -1.72317667485 -3.65886324737 TCL: atom 1: phi = 1.06123399471 TCL: Center of mass = 56.8825496399 -1.72312104663 -3.65872768355 TCL: atom 1: phi = 1.06160572714 TCL: Center of mass = 56.8858408295 -1.72307134369 -3.65858824997 TCL: atom 1: phi = 1.06180657291 TCL: Center of mass = 56.8891286643 -1.72301335971 -3.65845824776 TCL: atom 1: phi = 1.06228021836 TCL: Center of mass = 56.8924346672 -1.72294986478 -3.65833540235 TCL: atom 1: phi = 1.06261979294 TCL: Center of mass = 56.8957443889 -1.72287169395 -3.65821238433 TCL: atom 1: phi = 1.06326878216 TCL: Center of mass = 56.8990612984 -1.7227930013 -3.65808169233 TCL: atom 1: phi = 1.06373089657 TCL: Center of mass = 56.9023699086 -1.72272319266 -3.65793572661 TCL: atom 1: phi = 1.06438126316 TCL: Center of mass = 56.905665867 -1.72265152729 -3.65778120178 TCL: atom 1: phi = 1.06471322044 TCL: Center of mass = 56.9089621749 -1.72257017701 -3.65761490416 TCL: atom 1: phi = 1.06512232339 TCL: Center of mass = 56.9122631143 -1.72248983726 -3.65744835098 TCL: atom 1: phi = 1.0652184943 TCL: Center of mass = 56.9155678059 -1.72241711729 -3.65728249988 TCL: atom 1: phi = 1.0654532358 TCL: Center of mass = 56.9188741721 -1.72235302657 -3.65712761819 TCL: atom 1: phi = 1.06545939142 TCL: Center of mass = 56.9221783775 -1.72229092696 -3.65698155864 TCL: atom 1: phi = 1.065704214 TCL: Center of mass = 56.9254794248 -1.72222577276 -3.65682725265 TCL: atom 1: phi = 1.06582494682 TCL: Center of mass = 56.9287797507 -1.72215361403 -3.65667311677 TCL: atom 1: phi = 1.06619587953 TCL: Center of mass = 56.9320874219 -1.72208691001 -3.65651730133 TCL: atom 1: phi = 1.06632963763 TCL: Center of mass = 56.9353981503 -1.72202081283 -3.65637093224 TCL: atom 1: phi = 1.0665881494 TCL: Center of mass = 56.9387083448 -1.72194405597 -3.65621280489 TCL: atom 1: phi = 1.06655669572 TCL: Center of mass = 56.9420307144 -1.72186448165 -3.65604860311 TCL: atom 1: phi = 1.06656917681 TCL: Center of mass = 56.9453358744 -1.72177526143 -3.65587869569 TCL: atom 1: phi = 1.06613189612 TCL: Center of mass = 56.9486251608 -1.72167338964 -3.65571455336 TCL: atom 1: phi = 1.06580968286 TCL: Center of mass = 56.9519125297 -1.72158176085 -3.65555863413 TCL: atom 1: phi = 1.06523140279 TCL: Center of mass = 56.955198415 -1.72148439613 -3.65540408008 TCL: atom 1: phi = 1.06484525361 TCL: Center of mass = 56.9584922019 -1.72139965198 -3.65524375341 TCL: atom 1: phi = 1.06428523602 TCL: Center of mass = 56.9617834111 -1.72131121369 -3.65508664584 TCL: atom 1: phi = 1.06399771402 TCL: Center of mass = 56.965067263 -1.72122988599 -3.65492645432 TCL: atom 1: phi = 1.06358133845 TCL: Center of mass = 56.9683537893 -1.72115084139 -3.65476463753 TCL: atom 1: phi = 1.06342141543 TCL: Center of mass = 56.9716356102 -1.72108455982 -3.65460698549 TCL: atom 1: phi = 1.06306432439 TCL: Center of mass = 56.9749176479 -1.72102016141 -3.65445280028 TCL: atom 1: phi = 1.06290995446 TCL: Center of mass = 56.9782012727 -1.72096142744 -3.65429628495 TCL: atom 1: phi = 1.06262485833 TCL: Center of mass = 56.9814828749 -1.72089236664 -3.65412706806 TCL: atom 1: phi = 1.06262005822 TCL: Center of mass = 56.9847628943 -1.72082313914 -3.653945994 TCL: atom 1: phi = 1.06253076169 TCL: Center of mass = 56.9880508389 -1.72075756903 -3.65376336841 TCL: atom 1: phi = 1.06288764037 TCL: Center of mass = 56.9913428408 -1.72069856791 -3.65358853322 TCL: atom 1: phi = 1.06320627436 TCL: Center of mass = 56.9946304798 -1.72063793867 -3.65341158169 TCL: atom 1: phi = 1.06395291637 TCL: Center of mass = 56.9979264933 -1.7205795485 -3.65323523842 TCL: atom 1: phi = 1.06461311244 TCL: Center of mass = 57.0012115394 -1.72051825299 -3.65305299311 TCL: atom 1: phi = 1.06557463552 TCL: Center of mass = 57.0044987536 -1.72044903201 -3.6528687587 TCL: atom 1: phi = 1.06624281698 TCL: Center of mass = 57.0077855158 -1.72036669297 -3.65269016945 TCL: atom 1: phi = 1.06705217248 TCL: Center of mass = 57.0110748758 -1.72028225362 -3.65251005476 TCL: atom 1: phi = 1.0673849638 TCL: Center of mass = 57.0143552328 -1.72020665011 -3.65232719466 TCL: atom 1: phi = 1.0677744005 TCL: Center of mass = 57.0176274043 -1.72012833569 -3.65214107798 TCL: atom 1: phi = 1.06778548084 TCL: Center of mass = 57.0208935703 -1.7200470696 -3.65194538658 TCL: atom 1: phi = 1.06800074635 TCL: Center of mass = 57.0241519856 -1.71995779484 -3.65175994794 TCL: atom 1: phi = 1.06793968703 TCL: Center of mass = 57.027395401 -1.71986955831 -3.65156543428 TCL: atom 1: phi = 1.06811933381 TCL: Center of mass = 57.0306353093 -1.71976762143 -3.65136929127 TCL: atom 1: phi = 1.06801655698 TCL: Center of mass = 57.0338637909 -1.71965304397 -3.65118588577 TCL: atom 1: phi = 1.06806540824 TCL: Center of mass = 57.0370751055 -1.71952878564 -3.65099942092 TCL: atom 1: phi = 1.06778549964 TCL: Center of mass = 57.0402881901 -1.71940097319 -3.65081841692 TCL: atom 1: phi = 1.06771420807 TCL: Center of mass = 57.0434994167 -1.71928495259 -3.65063607584 TCL: atom 1: phi = 1.06728903002 TCL: Center of mass = 57.0467100939 -1.71917230108 -3.6504370571 TCL: atom 1: phi = 1.06704285301 TCL: Center of mass = 57.0499338964 -1.71906044221 -3.65023828959 TCL: atom 1: phi = 1.06656555781 TCL: Center of mass = 57.0531525588 -1.71894848975 -3.65003580405 TCL: atom 1: phi = 1.06635662962 TCL: Center of mass = 57.0563756299 -1.71883354124 -3.64983760677 TCL: atom 1: phi = 1.06600830882 TCL: Center of mass = 57.0596019848 -1.71872580458 -3.64963851704 TCL: atom 1: phi = 1.066032964 TCL: Center of mass = 57.0628244928 -1.71861194454 -3.64944110413 TCL: atom 1: phi = 1.06594913761 TCL: Center of mass = 57.0660538787 -1.71850210969 -3.64925209234 TCL: atom 1: phi = 1.06615917897 TCL: Center of mass = 57.0692845355 -1.7184032313 -3.64906648217 TCL: atom 1: phi = 1.06617158792 TCL: Center of mass = 57.0725233796 -1.71830064852 -3.64887343303 TCL: atom 1: phi = 1.06634267892 TCL: Center of mass = 57.0757678638 -1.71819658801 -3.64869123475 TCL: atom 1: phi = 1.06620171069 TCL: Center of mass = 57.0790066277 -1.7180857178 -3.64851422639 TCL: atom 1: phi = 1.06622479588 TCL: Center of mass = 57.0822325323 -1.71796046568 -3.64832487255 TCL: atom 1: phi = 1.0659642716 TCL: Center of mass = 57.0854576767 -1.71782589502 -3.64813012654 TCL: atom 1: phi = 1.06595326289 TCL: Center of mass = 57.0886903024 -1.71769477837 -3.64794095951 TCL: atom 1: phi = 1.06577827113 TCL: Center of mass = 57.0919214769 -1.71755467996 -3.64775686302 TCL: atom 1: phi = 1.06595370327 TCL: Center of mass = 57.0951534203 -1.71741662605 -3.64758530203 TCL: atom 1: phi = 1.06600152437 TCL: Center of mass = 57.0983801343 -1.71728063035 -3.64741451573 TCL: atom 1: phi = 1.06630666685 TCL: Center of mass = 57.1016069436 -1.7171433192 -3.64725411188 TCL: atom 1: phi = 1.06651473095 TCL: Center of mass = 57.1048290165 -1.71700193351 -3.64708429189 TCL: atom 1: phi = 1.06694167154 TCL: Center of mass = 57.1080562541 -1.71686410646 -3.64691840617 TCL: atom 1: phi = 1.06719630697 TCL: Center of mass = 57.1112882676 -1.71671620839 -3.64675632014 TCL: atom 1: phi = 1.067584379 TCL: Center of mass = 57.114523043 -1.71656120288 -3.6466008437 TCL: atom 1: phi = 1.0678020088 TCL: Center of mass = 57.1177651976 -1.716410643 -3.64644339803 TCL: atom 1: phi = 1.06830141864 TCL: Center of mass = 57.1210114237 -1.71626292006 -3.6462907426 TCL: atom 1: phi = 1.06870752822 TCL: Center of mass = 57.124259247 -1.71610554633 -3.64614415219 TCL: atom 1: phi = 1.06941807953 TCL: Center of mass = 57.1275119182 -1.71594541767 -3.6459971435 TCL: atom 1: phi = 1.07001938197 TCL: Center of mass = 57.1307565182 -1.71578873505 -3.6458576641 TCL: atom 1: phi = 1.07091088536 TCL: Center of mass = 57.1340041314 -1.71562403278 -3.64572011248 TCL: atom 1: phi = 1.07157056506 TCL: Center of mass = 57.1372669979 -1.71545164633 -3.6455934027 TCL: atom 1: phi = 1.07239582133 TCL: Center of mass = 57.1405320073 -1.71528883296 -3.64546211112 TCL: atom 1: phi = 1.07283672206 TCL: Center of mass = 57.1437970028 -1.71512175764 -3.64532662115 TCL: atom 1: phi = 1.07330675303 TCL: Center of mass = 57.1470721211 -1.71495762339 -3.64519180218 TCL: atom 1: phi = 1.07336741471 TCL: Center of mass = 57.1503436454 -1.71479214181 -3.64505273064 TCL: atom 1: phi = 1.07348183691 TIMING: 18900 CPU: 3247.8, 0.172844/step Wall: 3970.54, 0.211642/step, 0.0646683 hours remaining, 22108 kB of memory in use. ENERGY: 18900 411.5822 679.2253 412.2475 40.5940 -2750.6434 -205.2810 0.0000 0.0000 1132.0655 -280.2099 308.5195 -271.4068 -271.6837 316.2880 1724.6449 1911.7201 64000.0000 1298.9080 1301.5378 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 18900 WRITING COORDINATES TO DCD FILE AT STEP 18900 WRITING COORDINATES TO RESTART FILE AT STEP 18900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 18900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 57.153610901 -1.7146292137 -3.64492494759 TCL: atom 1: phi = 1.07323684752 TCL: Center of mass = 57.1568778446 -1.71446934777 -3.64478923666 TCL: atom 1: phi = 1.0731601314 TCL: Center of mass = 57.1601442388 -1.71431157143 -3.64465906872 TCL: atom 1: phi = 1.07284751265 TCL: Center of mass = 57.1634131429 -1.7141574203 -3.64453405376 TCL: atom 1: phi = 1.07276812898 TCL: Center of mass = 57.166677836 -1.71400339968 -3.64441420665 TCL: atom 1: phi = 1.07240422527 TCL: Center of mass = 57.1699489155 -1.71385612045 -3.64429801977 TCL: atom 1: phi = 1.07220611871 TCL: Center of mass = 57.1732110813 -1.7137094368 -3.6441749491 TCL: atom 1: phi = 1.07166369986 TCL: Center of mass = 57.1764666789 -1.71357073283 -3.64406657586 TCL: atom 1: phi = 1.07131203504 TCL: Center of mass = 57.1797218975 -1.71342823623 -3.64396643634 TCL: atom 1: phi = 1.0707290224 TCL: Center of mass = 57.1829613342 -1.71329262174 -3.64387165843 TCL: atom 1: phi = 1.07040537309 TCL: Center of mass = 57.1861991008 -1.71316897481 -3.64377745816 TCL: atom 1: phi = 1.06997249073 TCL: Center of mass = 57.1894375012 -1.71304853303 -3.64367034584 TCL: atom 1: phi = 1.06992758094 TCL: Center of mass = 57.1926663604 -1.71292955513 -3.64355890713 TCL: atom 1: phi = 1.06989436273 TCL: Center of mass = 57.195895852 -1.71280564563 -3.64344749035 TCL: atom 1: phi = 1.07028978037 TCL: Center of mass = 57.1991267978 -1.7126840445 -3.64333766867 TCL: atom 1: phi = 1.07062060827 TCL: Center of mass = 57.202359798 -1.71255753814 -3.64322920091 TCL: atom 1: phi = 1.0712528557 TCL: Center of mass = 57.2055927703 -1.71243382777 -3.6431248105 TCL: atom 1: phi = 1.07169191736 TCL: Center of mass = 57.2088318745 -1.71230865726 -3.6430111053 TCL: atom 1: phi = 1.07229688617 TCL: Center of mass = 57.2120801172 -1.71219308203 -3.64289001184 TCL: atom 1: phi = 1.07268677664 TCL: Center of mass = 57.2153287848 -1.71207624693 -3.64277543649 TCL: atom 1: phi = 1.07321760359 TCL: Center of mass = 57.2185724961 -1.71195563489 -3.64265037253 TCL: atom 1: phi = 1.07352026149 TCL: Center of mass = 57.2218200601 -1.71183759264 -3.64253082085 TCL: atom 1: phi = 1.07395871561 TCL: Center of mass = 57.2250607865 -1.71172353035 -3.64241260315 TCL: atom 1: phi = 1.07424222784 TCL: Center of mass = 57.2283134373 -1.7116160812 -3.64229597731 TCL: atom 1: phi = 1.07481200671 TCL: Center of mass = 57.2315704051 -1.71149699129 -3.64216677387 TCL: atom 1: phi = 1.07521209484 TCL: Center of mass = 57.2348319116 -1.71137417525 -3.64203021444 TCL: atom 1: phi = 1.0758643747 TCL: Center of mass = 57.23809423 -1.71124592754 -3.64188065053 TCL: atom 1: phi = 1.07620672039 TCL: Center of mass = 57.2413542334 -1.71112353275 -3.64173323152 TCL: atom 1: phi = 1.07666812034 TCL: Center of mass = 57.2446098858 -1.71099432526 -3.64160055106 TCL: atom 1: phi = 1.0768267472 TCL: Center of mass = 57.2478689261 -1.71084885594 -3.64146941216 TCL: atom 1: phi = 1.07714280719 TCL: Center of mass = 57.2511381604 -1.7107005355 -3.64134437989 TCL: atom 1: phi = 1.07727585808 TCL: Center of mass = 57.2543994064 -1.71054992401 -3.64121810538 TCL: atom 1: phi = 1.07771091577 TCL: Center of mass = 57.2576563796 -1.71039425316 -3.64108470835 TCL: atom 1: phi = 1.07800307661 TCL: Center of mass = 57.2609234059 -1.71023713334 -3.64095659389 TCL: atom 1: phi = 1.07865071982 TCL: Center of mass = 57.2641869948 -1.71007023213 -3.64082742529 TCL: atom 1: phi = 1.07920296112 TCL: Center of mass = 57.2674507124 -1.70990819001 -3.64069255161 TCL: atom 1: phi = 1.08003702398 TCL: Center of mass = 57.2707157141 -1.70974320538 -3.64056662955 TCL: atom 1: phi = 1.08058418387 TCL: Center of mass = 57.2739854993 -1.70959178976 -3.64045973975 TCL: atom 1: phi = 1.08120069215 TCL: Center of mass = 57.2772507823 -1.70943942152 -3.64035162741 TCL: atom 1: phi = 1.08138271082 TCL: Center of mass = 57.2805250636 -1.70928228026 -3.64023908455 TCL: atom 1: phi = 1.08158229695 TCL: Center of mass = 57.283787098 -1.70912451144 -3.64013617299 TCL: atom 1: phi = 1.08137536928 TCL: Center of mass = 57.2870546612 -1.70895952925 -3.64002853065 TCL: atom 1: phi = 1.08133550977 TCL: Center of mass = 57.2903326612 -1.70878619442 -3.63991832658 TCL: atom 1: phi = 1.08098757182 TCL: Center of mass = 57.2936043023 -1.70861887008 -3.63980078383 TCL: atom 1: phi = 1.08089152447 TCL: Center of mass = 57.2968709261 -1.70846447905 -3.63968663284 TCL: atom 1: phi = 1.08059015535 TCL: Center of mass = 57.3001451826 -1.70830704466 -3.63956492541 TCL: atom 1: phi = 1.08056326264 TCL: Center of mass = 57.3034184019 -1.70814108613 -3.63943766096 TCL: atom 1: phi = 1.08029511362 TCL: Center of mass = 57.3066801272 -1.70797468443 -3.63930164492 TCL: atom 1: phi = 1.08021673137 TCL: Center of mass = 57.3099381261 -1.70781927081 -3.6391811105 TCL: atom 1: phi = 1.07972350441 TCL: Center of mass = 57.3131989983 -1.70765701736 -3.63906727774 TCL: atom 1: phi = 1.07941493094 TCL: Center of mass = 57.3164631653 -1.70750386422 -3.63896199617 TCL: atom 1: phi = 1.07878691767 TCL: Center of mass = 57.3197241902 -1.70735389398 -3.63884552585 TCL: atom 1: phi = 1.07840317068 TCL: Center of mass = 57.3229935703 -1.70719949116 -3.63873158612 TCL: atom 1: phi = 1.0777602609 TCL: Center of mass = 57.3262625922 -1.70704216316 -3.63862843008 TCL: atom 1: phi = 1.07749506698 TCL: Center of mass = 57.3295318387 -1.70688258723 -3.63853360364 TCL: atom 1: phi = 1.07700485932 TCL: Center of mass = 57.3328059718 -1.70672646254 -3.63844264226 TCL: atom 1: phi = 1.07682843072 TCL: Center of mass = 57.3360840203 -1.70656253069 -3.6383487997 TCL: atom 1: phi = 1.07637543513 TCL: Center of mass = 57.3393553501 -1.70639719162 -3.63825419703 TCL: atom 1: phi = 1.07605272287 TCL: Center of mass = 57.3426315604 -1.70623155053 -3.63815700574 TCL: atom 1: phi = 1.07536352891 TCL: Center of mass = 57.3458943868 -1.70606480879 -3.63805498433 TCL: atom 1: phi = 1.07478115791 TCL: Center of mass = 57.3491607294 -1.70591259284 -3.63795384521 TCL: atom 1: phi = 1.07385502468 TCL: Center of mass = 57.3524326316 -1.70576782295 -3.63785747067 TCL: atom 1: phi = 1.07313813181 TCL: Center of mass = 57.3557036484 -1.70563030434 -3.63776518645 TCL: atom 1: phi = 1.07221417824 TCL: Center of mass = 57.3589706909 -1.70548974641 -3.63766364155 TCL: atom 1: phi = 1.07161464256 TCL: Center of mass = 57.3622295595 -1.70535039662 -3.63755973835 TCL: atom 1: phi = 1.07093603986 TCL: Center of mass = 57.3654795359 -1.70521544451 -3.63745788078 TCL: atom 1: phi = 1.07066823856 TCL: Center of mass = 57.3687320676 -1.70508303517 -3.63735479668 TCL: atom 1: phi = 1.07038600908 TCL: Center of mass = 57.3719844141 -1.70495044092 -3.63726698599 TCL: atom 1: phi = 1.07046097909 TCL: Center of mass = 57.3752393379 -1.70482567183 -3.63718269891 TCL: atom 1: phi = 1.07036906975 TCL: Center of mass = 57.3784964655 -1.7047063083 -3.63710022973 TCL: atom 1: phi = 1.0705644683 TCL: Center of mass = 57.3817499883 -1.70459355641 -3.63701644585 TCL: atom 1: phi = 1.07067604536 TCL: Center of mass = 57.3850045842 -1.70448426628 -3.63694163645 TCL: atom 1: phi = 1.07115020049 TCL: Center of mass = 57.3882709165 -1.70438130143 -3.63686662003 TCL: atom 1: phi = 1.0715444006 TCL: Center of mass = 57.3915457856 -1.70427650053 -3.63680319473 TCL: atom 1: phi = 1.0722856981 TCL: Center of mass = 57.3948209271 -1.70416727812 -3.63674036604 TCL: atom 1: phi = 1.07297426499 TCL: Center of mass = 57.3981091131 -1.70405561036 -3.63667173121 TCL: atom 1: phi = 1.07404138459 TCL: Center of mass = 57.4013968678 -1.70393484097 -3.63660896813 TCL: atom 1: phi = 1.07493910784 TCL: Center of mass = 57.4046653869 -1.70381339416 -3.63655329256 TCL: atom 1: phi = 1.07601616484 TCL: Center of mass = 57.4079376298 -1.70369553115 -3.63648842175 TCL: atom 1: phi = 1.07678473452 TCL: Center of mass = 57.411215767 -1.70357277137 -3.63642829783 TCL: atom 1: phi = 1.07764445648 TCL: Center of mass = 57.4145004991 -1.70345424116 -3.63637623623 TCL: atom 1: phi = 1.07812818549 TCL: Center of mass = 57.4177820623 -1.70334103591 -3.63631878975 TCL: atom 1: phi = 1.07866367549 TCL: Center of mass = 57.4210626717 -1.70322919491 -3.63625462411 TCL: atom 1: phi = 1.07891316291 TCL: Center of mass = 57.4243489535 -1.70312286569 -3.63618118815 TCL: atom 1: phi = 1.07933732662 TCL: Center of mass = 57.4276495984 -1.70302586802 -3.63610538489 TCL: atom 1: phi = 1.07953648226 TCL: Center of mass = 57.4309470087 -1.70293854095 -3.63600753171 TCL: atom 1: phi = 1.08001702557 TCL: Center of mass = 57.4342438359 -1.70283299121 -3.63589793875 TCL: atom 1: phi = 1.08034300368 TCL: Center of mass = 57.4375366092 -1.70271369443 -3.63580088775 TCL: atom 1: phi = 1.08090610226 TCL: Center of mass = 57.4408411719 -1.70259722877 -3.63570416294 TCL: atom 1: phi = 1.08126522649 TCL: Center of mass = 57.4441544119 -1.70247855838 -3.63561279181 TCL: atom 1: phi = 1.08187047924 TCL: Center of mass = 57.447462385 -1.70234856306 -3.63552514821 TCL: atom 1: phi = 1.08225948108 TCL: Center of mass = 57.4507585318 -1.70222154062 -3.63543732636 TCL: atom 1: phi = 1.08290122376 TCL: Center of mass = 57.4540593616 -1.70209574255 -3.6353474753 TCL: atom 1: phi = 1.08335016934 TCL: Center of mass = 57.4573570136 -1.70198341388 -3.63525523988 TCL: atom 1: phi = 1.08412805854 TCL: Center of mass = 57.4606568812 -1.70186778814 -3.63515993652 TCL: atom 1: phi = 1.08477324121 TCL: Center of mass = 57.4639498663 -1.70174595847 -3.63505739786 TCL: atom 1: phi = 1.08570861256 TCL: Center of mass = 57.4672465802 -1.70164659873 -3.63496678467 TCL: atom 1: phi = 1.08646766282 TCL: Center of mass = 57.4705507164 -1.70154494379 -3.63487348574 TCL: atom 1: phi = 1.08750890729 TCL: Center of mass = 57.473854132 -1.70142943687 -3.63478424875 TCL: atom 1: phi = 1.08822395274 TCL: Center of mass = 57.4771632608 -1.70131572796 -3.6346983743 TCL: atom 1: phi = 1.0890336941 TIMING: 19000 CPU: 3265.09, 0.172924/step Wall: 3991.73, 0.211852/step, 0.0588477 hours remaining, 22108 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 19000 410.6283 689.1233 424.2539 39.6902 -2754.0194 -223.9360 0.0000 0.0000 1145.9736 -268.2862 312.3099 -259.2747 -260.8985 316.8665 1538.2912 1366.9742 64000.0000 1286.5860 1282.0681 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19000 WRITING COORDINATES TO DCD FILE AT STEP 19000 WRITING COORDINATES TO RESTART FILE AT STEP 19000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19000 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 57.4804582999 -1.7011944546 -3.63462295448 TCL: atom 1: phi = 1.08932581283 TCL: Center of mass = 57.4837584182 -1.70107812281 -3.63454862157 TCL: atom 1: phi = 1.08971319718 TCL: Center of mass = 57.4870430661 -1.70095883438 -3.63446706798 TCL: atom 1: phi = 1.08965754193 TCL: Center of mass = 57.4903346131 -1.70083830675 -3.6343850585 TCL: atom 1: phi = 1.08982778417 TCL: Center of mass = 57.4936200621 -1.70071361267 -3.6342965904 TCL: atom 1: phi = 1.08966877642 TCL: Center of mass = 57.4968957261 -1.70059104661 -3.63421968397 TCL: atom 1: phi = 1.08983264909 TCL: Center of mass = 57.5001707983 -1.70046714434 -3.63413382842 TCL: atom 1: phi = 1.0897421745 TCL: Center of mass = 57.5034646148 -1.70034572459 -3.6340365792 TCL: atom 1: phi = 1.08995253819 TCL: Center of mass = 57.5067623425 -1.70023200588 -3.63393895903 TCL: atom 1: phi = 1.08996650166 TCL: Center of mass = 57.5100607166 -1.70010358398 -3.63382922767 TCL: atom 1: phi = 1.09029772342 TCL: Center of mass = 57.5133585839 -1.69997591233 -3.63371621562 TCL: atom 1: phi = 1.09039711855 TCL: Center of mass = 57.5166591317 -1.69983941372 -3.63360379037 TCL: atom 1: phi = 1.09079521884 TCL: Center of mass = 57.5199648988 -1.69969503634 -3.63349730452 TCL: atom 1: phi = 1.09095586699 TCL: Center of mass = 57.5232656986 -1.69955235662 -3.63340445852 TCL: atom 1: phi = 1.09148203882 TCL: Center of mass = 57.5265667284 -1.69941039517 -3.63331534292 TCL: atom 1: phi = 1.09186753225 TCL: Center of mass = 57.5298575212 -1.69925019665 -3.63321719316 TCL: atom 1: phi = 1.09252203862 TCL: Center of mass = 57.533147853 -1.69908845865 -3.63310981123 TCL: atom 1: phi = 1.09288950616 TCL: Center of mass = 57.5364513147 -1.69892430038 -3.63298257332 TCL: atom 1: phi = 1.09344306655 TCL: Center of mass = 57.5397601247 -1.69876413806 -3.63285222142 TCL: atom 1: phi = 1.09360693995 TCL: Center of mass = 57.5430692395 -1.69861714086 -3.63273667964 TCL: atom 1: phi = 1.09375276089 TCL: Center of mass = 57.5463795153 -1.69846564963 -3.632624377 TCL: atom 1: phi = 1.09335907979 TCL: Center of mass = 57.5496949151 -1.69831978645 -3.63251619773 TCL: atom 1: phi = 1.09297030189 TCL: Center of mass = 57.5530130001 -1.69818041277 -3.63240123041 TCL: atom 1: phi = 1.09216054903 TCL: Center of mass = 57.556326035 -1.69804974637 -3.63228992037 TCL: atom 1: phi = 1.0914270317 TCL: Center of mass = 57.5596273401 -1.69792153679 -3.63217630396 TCL: atom 1: phi = 1.09036984681 TCL: Center of mass = 57.5629399071 -1.69779835401 -3.63207786028 TCL: atom 1: phi = 1.08951152943 TCL: Center of mass = 57.5662524508 -1.69767680616 -3.63196675628 TCL: atom 1: phi = 1.08852396057 TCL: Center of mass = 57.5695662492 -1.69755769052 -3.63185130916 TCL: atom 1: phi = 1.08782884737 TCL: Center of mass = 57.5728680089 -1.69744538199 -3.63173922975 TCL: atom 1: phi = 1.0870333814 TCL: Center of mass = 57.5761701203 -1.6973241158 -3.63161389188 TCL: atom 1: phi = 1.08652752053 TCL: Center of mass = 57.5794870636 -1.69719278572 -3.63149025141 TCL: atom 1: phi = 1.08592588686 TCL: Center of mass = 57.5827990323 -1.69706173529 -3.63135886048 TCL: atom 1: phi = 1.08560577396 TCL: Center of mass = 57.5861056 -1.69693406867 -3.63122888994 TCL: atom 1: phi = 1.08522874104 TCL: Center of mass = 57.5894204271 -1.69681609116 -3.63110249446 TCL: atom 1: phi = 1.0851615492 TCL: Center of mass = 57.5927339984 -1.69670242758 -3.630983497 TCL: atom 1: phi = 1.08505390005 TCL: Center of mass = 57.5960525022 -1.69658470798 -3.63086595491 TCL: atom 1: phi = 1.0852838846 TCL: Center of mass = 57.5993637855 -1.69647098728 -3.63073892921 TCL: atom 1: phi = 1.08548090864 TCL: Center of mass = 57.6026840949 -1.69636281334 -3.63061530317 TCL: atom 1: phi = 1.08597785621 TCL: Center of mass = 57.6060103842 -1.69626940753 -3.63048743022 TCL: atom 1: phi = 1.0863331043 TCL: Center of mass = 57.6093338081 -1.69616865444 -3.63035224847 TCL: atom 1: phi = 1.08681550782 TCL: Center of mass = 57.6126613419 -1.69605985731 -3.63021440699 TCL: atom 1: phi = 1.08702009841 TCL: Center of mass = 57.6159782311 -1.6959678831 -3.63008074205 TCL: atom 1: phi = 1.08729042635 TCL: Center of mass = 57.6192900098 -1.69587069049 -3.62994442642 TCL: atom 1: phi = 1.08727927781 TCL: Center of mass = 57.622597925 -1.69576811855 -3.62980914047 TCL: atom 1: phi = 1.08737506992 TCL: Center of mass = 57.6259066205 -1.69566933643 -3.62966638618 TCL: atom 1: phi = 1.08724436368 TCL: Center of mass = 57.6292281839 -1.6955713455 -3.62953102433 TCL: atom 1: phi = 1.0873480557 TCL: Center of mass = 57.6325504211 -1.69546362881 -3.62939712124 TCL: atom 1: phi = 1.08736868965 TCL: Center of mass = 57.6358683175 -1.69535581352 -3.62927000245 TCL: atom 1: phi = 1.0877473557 TCL: Center of mass = 57.6391773818 -1.69524862128 -3.62915335114 TCL: atom 1: phi = 1.0880447306 TCL: Center of mass = 57.6424786802 -1.69513042555 -3.62904824405 TCL: atom 1: phi = 1.08859439374 TCL: Center of mass = 57.6457694106 -1.69502097546 -3.62893184934 TCL: atom 1: phi = 1.08900576106 TCL: Center of mass = 57.6490626663 -1.69491567447 -3.62881842649 TCL: atom 1: phi = 1.08968306725 TCL: Center of mass = 57.6523455342 -1.69481488589 -3.62871271957 TCL: atom 1: phi = 1.09019446672 TCL: Center of mass = 57.6556282061 -1.69471646624 -3.62860144389 TCL: atom 1: phi = 1.09088617472 TCL: Center of mass = 57.6589179917 -1.69460393224 -3.62849321905 TCL: atom 1: phi = 1.09145128453 TCL: Center of mass = 57.6621982126 -1.69449778292 -3.62838785794 TCL: atom 1: phi = 1.09223338916 TCL: Center of mass = 57.6654704989 -1.69437813576 -3.62828333547 TCL: atom 1: phi = 1.09281691301 TCL: Center of mass = 57.6687520133 -1.69426443852 -3.62816577805 TCL: atom 1: phi = 1.09359923305 TCL: Center of mass = 57.6720308219 -1.694150584 -3.62805359574 TCL: atom 1: phi = 1.09418780665 TCL: Center of mass = 57.6753159542 -1.69403755612 -3.62795122995 TCL: atom 1: phi = 1.09491936285 TCL: Center of mass = 57.678604742 -1.69391785496 -3.62785826027 TCL: atom 1: phi = 1.09531410762 TCL: Center of mass = 57.6819032436 -1.69379270487 -3.6277700478 TCL: atom 1: phi = 1.09576585725 TCL: Center of mass = 57.6851939678 -1.69366826499 -3.62767540344 TCL: atom 1: phi = 1.09578910648 TCL: Center of mass = 57.688486644 -1.69355718021 -3.62758805062 TCL: atom 1: phi = 1.09586151851 TCL: Center of mass = 57.6917835758 -1.69344277965 -3.62749467642 TCL: atom 1: phi = 1.09559443271 TCL: Center of mass = 57.6950794136 -1.69333302813 -3.62738939756 TCL: atom 1: phi = 1.09550409749 TCL: Center of mass = 57.6983780558 -1.6932213136 -3.62727899781 TCL: atom 1: phi = 1.09518354039 TCL: Center of mass = 57.7016661774 -1.69310262194 -3.62716694734 TCL: atom 1: phi = 1.09515566465 TCL: Center of mass = 57.7049516521 -1.69297193376 -3.62706088613 TCL: atom 1: phi = 1.09489948859 TCL: Center of mass = 57.7082368106 -1.6928369033 -3.62695773261 TCL: atom 1: phi = 1.09494426266 TCL: Center of mass = 57.7115172477 -1.69270235717 -3.62685342149 TCL: atom 1: phi = 1.09486469994 TCL: Center of mass = 57.7147986326 -1.69256217941 -3.62674241655 TCL: atom 1: phi = 1.09507250281 TCL: Center of mass = 57.7180719176 -1.69241676528 -3.62663712457 TCL: atom 1: phi = 1.09505855536 TCL: Center of mass = 57.7213448082 -1.69225991719 -3.62653330625 TCL: atom 1: phi = 1.09530585675 TCL: Center of mass = 57.7246257643 -1.69209932245 -3.62643176414 TCL: atom 1: phi = 1.09538118416 TCL: Center of mass = 57.7278999813 -1.69194684845 -3.62632119313 TCL: atom 1: phi = 1.09571022 TCL: Center of mass = 57.7311747706 -1.69180121469 -3.62622030014 TCL: atom 1: phi = 1.09584265328 TCL: Center of mass = 57.7344590069 -1.69164758789 -3.62612541152 TCL: atom 1: phi = 1.09618849867 TCL: Center of mass = 57.7377661131 -1.69148806483 -3.62601737612 TCL: atom 1: phi = 1.09632373284 TCL: Center of mass = 57.7410784238 -1.69132787795 -3.62590393534 TCL: atom 1: phi = 1.09671488146 TCL: Center of mass = 57.7443871132 -1.69117023007 -3.62580667068 TCL: atom 1: phi = 1.09681265131 TCL: Center of mass = 57.7477095772 -1.69101338498 -3.62570465484 TCL: atom 1: phi = 1.09703648924 TCL: Center of mass = 57.7510266805 -1.69085700312 -3.62560998093 TCL: atom 1: phi = 1.09691290746 TCL: Center of mass = 57.7543413981 -1.69069520999 -3.62551855989 TCL: atom 1: phi = 1.09693363497 TCL: Center of mass = 57.7576412675 -1.69053015761 -3.62544144244 TCL: atom 1: phi = 1.09663536858 TCL: Center of mass = 57.7609470196 -1.69037256799 -3.62536420219 TCL: atom 1: phi = 1.09652743844 TCL: Center of mass = 57.7642505763 -1.69022653848 -3.62529805323 TCL: atom 1: phi = 1.09621142921 TCL: Center of mass = 57.767545474 -1.69006747274 -3.62522450546 TCL: atom 1: phi = 1.09620148475 TCL: Center of mass = 57.7708511153 -1.68990871663 -3.62515338707 TCL: atom 1: phi = 1.09603149247 TCL: Center of mass = 57.774164929 -1.68975463424 -3.6250818158 TCL: atom 1: phi = 1.09624032901 TCL: Center of mass = 57.7774839507 -1.68959951075 -3.62501281372 TCL: atom 1: phi = 1.09628388816 TCL: Center of mass = 57.7808243731 -1.68944362254 -3.62495622549 TCL: atom 1: phi = 1.09665112036 TCL: Center of mass = 57.7841627739 -1.68928609 -3.6249025498 TCL: atom 1: phi = 1.09679532429 TCL: Center of mass = 57.7875000777 -1.68912284409 -3.62484245474 TCL: atom 1: phi = 1.09722314129 TCL: Center of mass = 57.7908365566 -1.68896816016 -3.62476885478 TCL: atom 1: phi = 1.09736053436 TCL: Center of mass = 57.7941881583 -1.688812924 -3.62470919662 TCL: atom 1: phi = 1.09780121101 TCL: Center of mass = 57.7975323464 -1.68866726281 -3.62465332411 TCL: atom 1: phi = 1.09794505722 TCL: Center of mass = 57.8008744401 -1.68851877209 -3.62461383334 TCL: atom 1: phi = 1.09843917853 TCL: Center of mass = 57.8042120385 -1.68836948822 -3.62457586012 TCL: atom 1: phi = 1.09869780376 TCL: Center of mass = 57.8075424372 -1.68821160242 -3.62453089257 TCL: atom 1: phi = 1.09917938785 TIMING: 19100 CPU: 3282.41, 0.173214/step Wall: 4012.88, 0.21152/step, 0.0528801 hours remaining, 22108 kB of memory in use. ENERGY: 19100 403.9679 670.9243 415.3684 43.5166 -2761.5941 -205.7353 0.0000 0.0000 1157.3318 -276.2204 315.4053 -267.6039 -267.6480 317.4385 1622.2378 1483.6600 64000.0000 1248.4475 1255.7178 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19100 WRITING COORDINATES TO DCD FILE AT STEP 19100 WRITING COORDINATES TO RESTART FILE AT STEP 19100 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19100 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 57.810873122 -1.68805252122 -3.62450059693 TCL: atom 1: phi = 1.09937839197 TCL: Center of mass = 57.8142096039 -1.6879051932 -3.62446765669 TCL: atom 1: phi = 1.09978918491 TCL: Center of mass = 57.8175402632 -1.68775953995 -3.62444924022 TCL: atom 1: phi = 1.09985380859 TCL: Center of mass = 57.8208717847 -1.68761120611 -3.62443471291 TCL: atom 1: phi = 1.10010038851 TCL: Center of mass = 57.824204108 -1.68746768643 -3.62442570706 TCL: atom 1: phi = 1.10005028659 TCL: Center of mass = 57.8275433283 -1.68732492873 -3.62441236578 TCL: atom 1: phi = 1.10020095849 TCL: Center of mass = 57.8308753306 -1.68718319539 -3.62438640305 TCL: atom 1: phi = 1.10008571363 TCL: Center of mass = 57.8342144196 -1.68704167563 -3.62435739405 TCL: atom 1: phi = 1.10032857888 TCL: Center of mass = 57.8375434857 -1.68689376324 -3.62432707789 TCL: atom 1: phi = 1.1004037451 TCL: Center of mass = 57.8408853778 -1.68675132102 -3.62429752211 TCL: atom 1: phi = 1.10076317056 TCL: Center of mass = 57.8442321404 -1.68660408847 -3.62428934986 TCL: atom 1: phi = 1.10097864885 TCL: Center of mass = 57.847584416 -1.68645843672 -3.62427453434 TCL: atom 1: phi = 1.10145217921 TCL: Center of mass = 57.8509534308 -1.68631233404 -3.62426380168 TCL: atom 1: phi = 1.10175605949 TCL: Center of mass = 57.8543286912 -1.68616369334 -3.62425071998 TCL: atom 1: phi = 1.10231498867 TCL: Center of mass = 57.8576972023 -1.6860153271 -3.62424567574 TCL: atom 1: phi = 1.10262961119 TCL: Center of mass = 57.8610595704 -1.68585922547 -3.62423916034 TCL: atom 1: phi = 1.10319393074 TCL: Center of mass = 57.8643995879 -1.68570789446 -3.62422489414 TCL: atom 1: phi = 1.10353625606 TCL: Center of mass = 57.8677390506 -1.68555856955 -3.62420997657 TCL: atom 1: phi = 1.10414018487 TCL: Center of mass = 57.8710762332 -1.68540079849 -3.62419657675 TCL: atom 1: phi = 1.10456840259 TCL: Center of mass = 57.8744159362 -1.68524024913 -3.62419312098 TCL: atom 1: phi = 1.10530048815 TCL: Center of mass = 57.8777511183 -1.6850758097 -3.6241804267 TCL: atom 1: phi = 1.10586521369 TCL: Center of mass = 57.881087372 -1.68491224995 -3.62416041853 TCL: atom 1: phi = 1.10666089887 TCL: Center of mass = 57.8844383863 -1.68474611426 -3.62414226214 TCL: atom 1: phi = 1.10726748689 TCL: Center of mass = 57.8877772156 -1.68458875389 -3.62411958455 TCL: atom 1: phi = 1.10808948285 TCL: Center of mass = 57.8911083113 -1.68442284572 -3.62408147894 TCL: atom 1: phi = 1.10868388657 TCL: Center of mass = 57.894438412 -1.68425764638 -3.62403070287 TCL: atom 1: phi = 1.10948450534 TCL: Center of mass = 57.897764251 -1.68410123139 -3.62398904017 TCL: atom 1: phi = 1.11005485428 TCL: Center of mass = 57.9010968298 -1.68395879317 -3.62394534509 TCL: atom 1: phi = 1.11080183572 TCL: Center of mass = 57.9044343368 -1.683815708 -3.62388797663 TCL: atom 1: phi = 1.11134989182 TCL: Center of mass = 57.9077629154 -1.68367016257 -3.62383384002 TCL: atom 1: phi = 1.11208412844 TCL: Center of mass = 57.9110848079 -1.68352390065 -3.62379439493 TCL: atom 1: phi = 1.11260879213 TCL: Center of mass = 57.9144006147 -1.68337241364 -3.62377117168 TCL: atom 1: phi = 1.11329809679 TCL: Center of mass = 57.9177099138 -1.68322043725 -3.62374503097 TCL: atom 1: phi = 1.11380899626 TCL: Center of mass = 57.9210159916 -1.68308225326 -3.62372387378 TCL: atom 1: phi = 1.11448395152 TCL: Center of mass = 57.9243345971 -1.68294098079 -3.62370829572 TCL: atom 1: phi = 1.11490311869 TCL: Center of mass = 57.9276614024 -1.6827926658 -3.62369747936 TCL: atom 1: phi = 1.11548622355 TCL: Center of mass = 57.9309905548 -1.68264927637 -3.62367643822 TCL: atom 1: phi = 1.11586452931 TCL: Center of mass = 57.9343169951 -1.68251078372 -3.62366171997 TCL: atom 1: phi = 1.11646868504 TCL: Center of mass = 57.9376499777 -1.6823726575 -3.62364804875 TCL: atom 1: phi = 1.11689172343 TCL: Center of mass = 57.9409754308 -1.68222982484 -3.62363190387 TCL: atom 1: phi = 1.11754432432 TCL: Center of mass = 57.9442885128 -1.68208268706 -3.62360889208 TCL: atom 1: phi = 1.1180792039 TCL: Center of mass = 57.9475919414 -1.68192977989 -3.62359228714 TCL: atom 1: phi = 1.11878297811 TCL: Center of mass = 57.9508988933 -1.6817825314 -3.62357687417 TCL: atom 1: phi = 1.11927157485 TCL: Center of mass = 57.9541901589 -1.68163829117 -3.62357749355 TCL: atom 1: phi = 1.11994373201 TCL: Center of mass = 57.9574877642 -1.68149323568 -3.62358855476 TCL: atom 1: phi = 1.12041608933 TCL: Center of mass = 57.9607881693 -1.68134405247 -3.62359799739 TCL: atom 1: phi = 1.12107011818 TCL: Center of mass = 57.9640963948 -1.68119675983 -3.62362079866 TCL: atom 1: phi = 1.12154626394 TCL: Center of mass = 57.9674043354 -1.6810536792 -3.62364041322 TCL: atom 1: phi = 1.12226447784 TCL: Center of mass = 57.9707125469 -1.68089866916 -3.62366664681 TCL: atom 1: phi = 1.12285906494 TCL: Center of mass = 57.9740171222 -1.68074019184 -3.62368406136 TCL: atom 1: phi = 1.12373606868 TCL: Center of mass = 57.9773054832 -1.68058728882 -3.62370512875 TCL: atom 1: phi = 1.12450138182 TCL: Center of mass = 57.9805945111 -1.68043935864 -3.62372741084 TCL: atom 1: phi = 1.12550415129 TCL: Center of mass = 57.9838786653 -1.68029565943 -3.62374630781 TCL: atom 1: phi = 1.12627797958 TCL: Center of mass = 57.9871621365 -1.68014368941 -3.6237682595 TCL: atom 1: phi = 1.12724127929 TCL: Center of mass = 57.9904481574 -1.67997742152 -3.62379859291 TCL: atom 1: phi = 1.12790304908 TCL: Center of mass = 57.9937350435 -1.67981158669 -3.62381714289 TCL: atom 1: phi = 1.12867694211 TCL: Center of mass = 57.9970187104 -1.67965924373 -3.62382641814 TCL: atom 1: phi = 1.12917522405 TCL: Center of mass = 58.0003076036 -1.67950125819 -3.62382926152 TCL: atom 1: phi = 1.12981799626 TCL: Center of mass = 58.0035977032 -1.67933050858 -3.62382541164 TCL: atom 1: phi = 1.13015428128 TCL: Center of mass = 58.0068988192 -1.67914830021 -3.62381941622 TCL: atom 1: phi = 1.13079005405 TCL: Center of mass = 58.0101952488 -1.6789569408 -3.62381272659 TCL: atom 1: phi = 1.13122571977 TCL: Center of mass = 58.0135079833 -1.67876892644 -3.623815261 TCL: atom 1: phi = 1.13196099047 TCL: Center of mass = 58.0168213259 -1.67858248393 -3.6238229638 TCL: atom 1: phi = 1.13246693356 TCL: Center of mass = 58.0201280545 -1.67839705563 -3.62382177872 TCL: atom 1: phi = 1.1332342152 TCL: Center of mass = 58.0234371459 -1.67820903643 -3.62383106441 TCL: atom 1: phi = 1.13373917515 TCL: Center of mass = 58.0267580673 -1.67803331555 -3.6238389595 TCL: atom 1: phi = 1.1345085898 TCL: Center of mass = 58.0300813337 -1.67785776044 -3.62384577202 TCL: atom 1: phi = 1.13493940625 TCL: Center of mass = 58.0334154657 -1.67767686436 -3.62385939465 TCL: atom 1: phi = 1.1355784119 TCL: Center of mass = 58.0367550772 -1.67750299838 -3.62386416897 TCL: atom 1: phi = 1.13592678037 TCL: Center of mass = 58.0400928461 -1.67732477751 -3.62387984898 TCL: atom 1: phi = 1.13658609857 TCL: Center of mass = 58.0434217436 -1.67714046586 -3.62388549643 TCL: atom 1: phi = 1.13700868801 TCL: Center of mass = 58.0467416229 -1.67696547564 -3.62389239504 TCL: atom 1: phi = 1.13763219983 TCL: Center of mass = 58.0500611843 -1.67679101261 -3.62391187685 TCL: atom 1: phi = 1.13792344667 TCL: Center of mass = 58.0533822789 -1.67660980663 -3.6239186513 TCL: atom 1: phi = 1.13837440733 TCL: Center of mass = 58.0566953764 -1.67641906458 -3.62393946505 TCL: atom 1: phi = 1.13842644338 TCL: Center of mass = 58.0599841715 -1.6762218054 -3.62397421344 TCL: atom 1: phi = 1.13852864764 TCL: Center of mass = 58.0632711063 -1.67602541418 -3.62400509281 TCL: atom 1: phi = 1.13824513306 TCL: Center of mass = 58.0665528665 -1.67582378828 -3.62402521068 TCL: atom 1: phi = 1.13803371757 TCL: Center of mass = 58.0698324958 -1.67561565472 -3.62403892946 TCL: atom 1: phi = 1.13755583512 TCL: Center of mass = 58.0731138553 -1.67541577736 -3.62403899133 TCL: atom 1: phi = 1.13728017029 TCL: Center of mass = 58.0763924975 -1.67522141261 -3.62404655618 TCL: atom 1: phi = 1.13685520203 TCL: Center of mass = 58.0796698944 -1.67503258728 -3.62405991555 TCL: atom 1: phi = 1.13671471908 TCL: Center of mass = 58.0829535425 -1.6748464395 -3.62406549309 TCL: atom 1: phi = 1.13647528093 TCL: Center of mass = 58.0862547231 -1.67467011554 -3.62406589462 TCL: atom 1: phi = 1.13650956092 TCL: Center of mass = 58.0895521732 -1.67448471365 -3.62407065188 TCL: atom 1: phi = 1.1363955188 TCL: Center of mass = 58.0928531668 -1.6742958547 -3.62408445677 TCL: atom 1: phi = 1.1364810421 TCL: Center of mass = 58.0961483228 -1.67410206366 -3.62409605637 TCL: atom 1: phi = 1.13642357124 TCL: Center of mass = 58.0994327433 -1.67390598934 -3.62411097183 TCL: atom 1: phi = 1.13664700717 TCL: Center of mass = 58.1027182738 -1.67371465812 -3.62413177917 TCL: atom 1: phi = 1.13668641383 TCL: Center of mass = 58.1059999911 -1.67352394047 -3.62415640858 TCL: atom 1: phi = 1.13696829081 TCL: Center of mass = 58.1092762084 -1.67333648154 -3.62418441824 TCL: atom 1: phi = 1.13708414207 TCL: Center of mass = 58.112551892 -1.67313984334 -3.62421774954 TCL: atom 1: phi = 1.13743032055 TCL: Center of mass = 58.1158327185 -1.67293768965 -3.62425105908 TCL: atom 1: phi = 1.13760189531 TCL: Center of mass = 58.119123569 -1.67271603273 -3.62428629477 TCL: atom 1: phi = 1.13794711809 TCL: Center of mass = 58.1224173018 -1.67250515097 -3.6243211705 TCL: atom 1: phi = 1.13802865482 TCL: Center of mass = 58.1257115656 -1.67229843633 -3.62435355349 TCL: atom 1: phi = 1.13818401993 TCL: Center of mass = 58.1289847046 -1.67210227575 -3.62439922209 TCL: atom 1: phi = 1.13804391095 TCL: Center of mass = 58.1322562089 -1.67190320544 -3.6244402483 TCL: atom 1: phi = 1.13803856189 TCL: Center of mass = 58.135522223 -1.67171568025 -3.62447930642 TCL: atom 1: phi = 1.13772006717 TCL: Center of mass = 58.1387924016 -1.67152384488 -3.6245285502 TCL: atom 1: phi = 1.13756921779 TIMING: 19200 CPU: 3299.78, 0.173714/step Wall: 4034.03, 0.211475/step, 0.0469944 hours remaining, 22108 kB of memory in use. ENERGY: 19200 403.8100 710.8450 418.4951 44.8677 -2788.9783 -213.0006 0.0000 0.0000 1143.7611 -280.1998 311.7069 -271.9989 -270.2141 318.1605 1185.1058 1116.9182 64000.0000 1355.9764 1357.1470 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19200 WRITING COORDINATES TO DCD FILE AT STEP 19200 WRITING COORDINATES TO RESTART FILE AT STEP 19200 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19200 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 58.1420627944 -1.67133521307 -3.62458305207 TCL: atom 1: phi = 1.13721106812 TCL: Center of mass = 58.1453293199 -1.67114500224 -3.62465243169 TCL: atom 1: phi = 1.13713362206 TCL: Center of mass = 58.1485975241 -1.67093457904 -3.62473069854 TCL: atom 1: phi = 1.13693533524 TCL: Center of mass = 58.1518613863 -1.67073390369 -3.62480908707 TCL: atom 1: phi = 1.13699569559 TCL: Center of mass = 58.1551310551 -1.67054264492 -3.62488628075 TCL: atom 1: phi = 1.13692260744 TCL: Center of mass = 58.1584088523 -1.67035026082 -3.62496528301 TCL: atom 1: phi = 1.13714239112 TCL: Center of mass = 58.1616855141 -1.67014502622 -3.62504092954 TCL: atom 1: phi = 1.13719142256 TCL: Center of mass = 58.1649602194 -1.66994563699 -3.62512386866 TCL: atom 1: phi = 1.13750744626 TCL: Center of mass = 58.1682313137 -1.66974035951 -3.62521122065 TCL: atom 1: phi = 1.1376353753 TCL: Center of mass = 58.1714988425 -1.66952772352 -3.62529223234 TCL: atom 1: phi = 1.13806623871 TCL: Center of mass = 58.1747732423 -1.66930699223 -3.62537213611 TCL: atom 1: phi = 1.13831138681 TCL: Center of mass = 58.1780452825 -1.66909047338 -3.62544319638 TCL: atom 1: phi = 1.13880277259 TCL: Center of mass = 58.1813116879 -1.66886176626 -3.62551882249 TCL: atom 1: phi = 1.13905525223 TCL: Center of mass = 58.1845830156 -1.66862996892 -3.62561292372 TCL: atom 1: phi = 1.13956930088 TCL: Center of mass = 58.1878588162 -1.66840181384 -3.62570810256 TCL: atom 1: phi = 1.13972930502 TCL: Center of mass = 58.1911425682 -1.66818650672 -3.62580745309 TCL: atom 1: phi = 1.14003744099 TCL: Center of mass = 58.1944417523 -1.66797431005 -3.62590158187 TCL: atom 1: phi = 1.1400175077 TCL: Center of mass = 58.1977372062 -1.66777126385 -3.6259957262 TCL: atom 1: phi = 1.1401260227 TCL: Center of mass = 58.2010322031 -1.66757510208 -3.62608743996 TCL: atom 1: phi = 1.1399133664 TCL: Center of mass = 58.2043245004 -1.66738557632 -3.62617322378 TCL: atom 1: phi = 1.13991241621 TCL: Center of mass = 58.2076291202 -1.66719848142 -3.6262654911 TCL: atom 1: phi = 1.1396834756 TCL: Center of mass = 58.2109321319 -1.66701382508 -3.62635329988 TCL: atom 1: phi = 1.13974714647 TCL: Center of mass = 58.2142262399 -1.66682761474 -3.62645018424 TCL: atom 1: phi = 1.13964080562 TCL: Center of mass = 58.2175095198 -1.66664096789 -3.62654906517 TCL: atom 1: phi = 1.13987214876 TCL: Center of mass = 58.2207971792 -1.66645243229 -3.62665713173 TCL: atom 1: phi = 1.13997253597 TCL: Center of mass = 58.2240794505 -1.66625186721 -3.62675137876 TCL: atom 1: phi = 1.14028239652 TCL: Center of mass = 58.2273658125 -1.66603361529 -3.62685504413 TCL: atom 1: phi = 1.1403711888 TCL: Center of mass = 58.2306613555 -1.66579932912 -3.62695596244 TCL: atom 1: phi = 1.14062232429 TCL: Center of mass = 58.2339557367 -1.66556251619 -3.62705661567 TCL: atom 1: phi = 1.14063886053 TCL: Center of mass = 58.2372398579 -1.66532421838 -3.62715952634 TCL: atom 1: phi = 1.14085686565 TCL: Center of mass = 58.2405389982 -1.66509086476 -3.62725294393 TCL: atom 1: phi = 1.1407965895 TCL: Center of mass = 58.2438263304 -1.66485663102 -3.62732924941 TCL: atom 1: phi = 1.14091583088 TCL: Center of mass = 58.2470995591 -1.66461385093 -3.62740511576 TCL: atom 1: phi = 1.14078111544 TCL: Center of mass = 58.2503708376 -1.66436952398 -3.62748333224 TCL: atom 1: phi = 1.14077566809 TCL: Center of mass = 58.2536548759 -1.66412131391 -3.62756286974 TCL: atom 1: phi = 1.1404675175 TCL: Center of mass = 58.2569439575 -1.66386983972 -3.62764231652 TCL: atom 1: phi = 1.14020318483 TCL: Center of mass = 58.2602252108 -1.66361514465 -3.62771518431 TCL: atom 1: phi = 1.13958861789 TCL: Center of mass = 58.2635043834 -1.66335517926 -3.62778787617 TCL: atom 1: phi = 1.13900297471 TCL: Center of mass = 58.2667901934 -1.66309422598 -3.62787804503 TCL: atom 1: phi = 1.13811163855 TCL: Center of mass = 58.2700737039 -1.66282800301 -3.62797876061 TCL: atom 1: phi = 1.13738895984 TCL: Center of mass = 58.2733651641 -1.66255327332 -3.62809850995 TCL: atom 1: phi = 1.13653532689 TCL: Center of mass = 58.2766632695 -1.66228944342 -3.62821528129 TCL: atom 1: phi = 1.13595901661 TCL: Center of mass = 58.2799695126 -1.66202208848 -3.62833733948 TCL: atom 1: phi = 1.13543046044 TCL: Center of mass = 58.2832681211 -1.66176346273 -3.62844978911 TCL: atom 1: phi = 1.13520117228 TCL: Center of mass = 58.286577729 -1.66149496542 -3.62856610979 TCL: atom 1: phi = 1.13504589721 TCL: Center of mass = 58.2898740645 -1.66122562617 -3.62869392392 TCL: atom 1: phi = 1.13519973471 TCL: Center of mass = 58.2931774311 -1.66096302864 -3.62881338116 TCL: atom 1: phi = 1.13535114467 TCL: Center of mass = 58.2964778437 -1.66071027585 -3.62893242258 TCL: atom 1: phi = 1.1357504352 TCL: Center of mass = 58.2997823118 -1.66046944669 -3.62905912848 TCL: atom 1: phi = 1.13608848714 TCL: Center of mass = 58.3031038849 -1.66022799854 -3.62918250755 TCL: atom 1: phi = 1.1366761049 TCL: Center of mass = 58.3064206965 -1.65996908349 -3.62929123766 TCL: atom 1: phi = 1.13720611333 TCL: Center of mass = 58.309737868 -1.6597148904 -3.6294093263 TCL: atom 1: phi = 1.13800987606 TCL: Center of mass = 58.3130568363 -1.65946846455 -3.62953033504 TCL: atom 1: phi = 1.13875451729 TCL: Center of mass = 58.3163674058 -1.65922294442 -3.62965435602 TCL: atom 1: phi = 1.13968348323 TCL: Center of mass = 58.3196789365 -1.65898238559 -3.629788821 TCL: atom 1: phi = 1.14049490504 TCL: Center of mass = 58.3229993774 -1.65873306934 -3.62992189707 TCL: atom 1: phi = 1.14142334542 TCL: Center of mass = 58.3263258578 -1.65848824585 -3.63004400775 TCL: atom 1: phi = 1.14212031951 TCL: Center of mass = 58.3296473815 -1.65823543911 -3.63015894405 TCL: atom 1: phi = 1.14287000429 TCL: Center of mass = 58.3329672938 -1.65797833231 -3.63027113914 TCL: atom 1: phi = 1.14336166116 TCL: Center of mass = 58.3362752314 -1.65773925396 -3.63038896393 TCL: atom 1: phi = 1.14391142071 TCL: Center of mass = 58.3395879164 -1.65749209024 -3.63052094815 TCL: atom 1: phi = 1.14426311161 TCL: Center of mass = 58.3429052143 -1.65724385384 -3.6306473526 TCL: atom 1: phi = 1.14481583813 TCL: Center of mass = 58.346223523 -1.65698558349 -3.63078125844 TCL: atom 1: phi = 1.14521919226 TCL: Center of mass = 58.3495409826 -1.65673790841 -3.63092426747 TCL: atom 1: phi = 1.14584085885 TCL: Center of mass = 58.3528659636 -1.65648669181 -3.63106125822 TCL: atom 1: phi = 1.14636171499 TCL: Center of mass = 58.356196327 -1.6562308191 -3.63119382087 TCL: atom 1: phi = 1.147034608 TCL: Center of mass = 58.3595389989 -1.65597167207 -3.63132644361 TCL: atom 1: phi = 1.14752444513 TCL: Center of mass = 58.3628764514 -1.65571443237 -3.63146279803 TCL: atom 1: phi = 1.1480614353 TCL: Center of mass = 58.3662118179 -1.65546603315 -3.63160994433 TCL: atom 1: phi = 1.14832173147 TCL: Center of mass = 58.3695471594 -1.65522868687 -3.63175089353 TCL: atom 1: phi = 1.14861669655 TCL: Center of mass = 58.3728725941 -1.6549855272 -3.63189076005 TCL: atom 1: phi = 1.14870314896 TCL: Center of mass = 58.3761957173 -1.65474374534 -3.63202937955 TCL: atom 1: phi = 1.14890091491 TCL: Center of mass = 58.3795201433 -1.65450798678 -3.63216660748 TCL: atom 1: phi = 1.14893224943 TCL: Center of mass = 58.3828383774 -1.65427716637 -3.63230773704 TCL: atom 1: phi = 1.14911073973 TCL: Center of mass = 58.3861607224 -1.65405186947 -3.63244757849 TCL: atom 1: phi = 1.14908331793 TCL: Center of mass = 58.3894930662 -1.65381968704 -3.63258774761 TCL: atom 1: phi = 1.14910986259 TCL: Center of mass = 58.3928199944 -1.65359919503 -3.63272642801 TCL: atom 1: phi = 1.14886970071 TCL: Center of mass = 58.3961480185 -1.65338952785 -3.63286506393 TCL: atom 1: phi = 1.14868295526 TCL: Center of mass = 58.3994778568 -1.65316918467 -3.63299060936 TCL: atom 1: phi = 1.14827272509 TCL: Center of mass = 58.4028089091 -1.65295667399 -3.63311888592 TCL: atom 1: phi = 1.1480025575 TCL: Center of mass = 58.4061475318 -1.65274613055 -3.63324650765 TCL: atom 1: phi = 1.14757964775 TCL: Center of mass = 58.409498777 -1.65253254814 -3.63338679152 TCL: atom 1: phi = 1.14743674083 TCL: Center of mass = 58.4128427155 -1.6523286583 -3.63352702264 TCL: atom 1: phi = 1.14730158393 TCL: Center of mass = 58.4161756216 -1.65212969462 -3.63365313362 TCL: atom 1: phi = 1.14753696525 TCL: Center of mass = 58.4195118568 -1.65193291868 -3.63377441947 TCL: atom 1: phi = 1.14781885599 TCL: Center of mass = 58.4228522282 -1.65173649111 -3.6338910821 TCL: atom 1: phi = 1.14844329597 TCL: Center of mass = 58.426197663 -1.65153030816 -3.63401479858 TCL: atom 1: phi = 1.14911529086 TCL: Center of mass = 58.4295512401 -1.65133935309 -3.63414008162 TCL: atom 1: phi = 1.15005141798 TCL: Center of mass = 58.4329090605 -1.65114867378 -3.63426573574 TCL: atom 1: phi = 1.15093211265 TCL: Center of mass = 58.4362643833 -1.65095250419 -3.63439842562 TCL: atom 1: phi = 1.15199203624 TCL: Center of mass = 58.4396210292 -1.65075730473 -3.63453538194 TCL: atom 1: phi = 1.15288313309 TCL: Center of mass = 58.4429746004 -1.65056552536 -3.63466528102 TCL: atom 1: phi = 1.15391850707 TCL: Center of mass = 58.4463236707 -1.65036641986 -3.63479781591 TCL: atom 1: phi = 1.15475655043 TCL: Center of mass = 58.4496603186 -1.65016975709 -3.63493229291 TCL: atom 1: phi = 1.15577028805 TCL: Center of mass = 58.4529864271 -1.64997809661 -3.63507868849 TCL: atom 1: phi = 1.15656065787 TCL: Center of mass = 58.4563207173 -1.64977766832 -3.63522625428 TCL: atom 1: phi = 1.15745909293 TCL: Center of mass = 58.4596526141 -1.64956295464 -3.63537522273 TCL: atom 1: phi = 1.15794021249 TCL: Center of mass = 58.46298061 -1.64935829173 -3.63552593425 TCL: atom 1: phi = 1.15841460707 TCL: Center of mass = 58.4663075823 -1.6491611573 -3.63567295013 TCL: atom 1: phi = 1.15843685468 TCL: Center of mass = 58.4696249278 -1.64896390349 -3.63581973618 TCL: atom 1: phi = 1.15840675313 TIMING: 19300 CPU: 3317.05, 0.172664/step Wall: 4055.19, 0.211591/step, 0.0411427 hours remaining, 22108 kB of memory in use. ENERGY: 19300 410.1342 682.1406 426.4193 47.8387 -2803.2643 -211.8397 0.0000 0.0000 1178.0715 -270.4998 321.0574 -261.8431 -261.6297 317.0507 1161.0440 1440.9728 64000.0000 1410.3172 1412.2420 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19300 WRITING COORDINATES TO DCD FILE AT STEP 19300 WRITING COORDINATES TO RESTART FILE AT STEP 19300 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19300 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 58.4729326446 -1.64876580152 -3.63596242853 TCL: atom 1: phi = 1.15792717612 TCL: Center of mass = 58.4762414472 -1.64856607387 -3.63610160245 TCL: atom 1: phi = 1.15755788095 TCL: Center of mass = 58.4795432587 -1.6483561695 -3.63624645413 TCL: atom 1: phi = 1.15684323856 TCL: Center of mass = 58.4828416474 -1.64815063182 -3.63639940463 TCL: atom 1: phi = 1.15636543351 TCL: Center of mass = 58.4861355624 -1.6479658718 -3.636550183 TCL: atom 1: phi = 1.15566049218 TCL: Center of mass = 58.4894144267 -1.64778465455 -3.63669435066 TCL: atom 1: phi = 1.15513019053 TCL: Center of mass = 58.4926939666 -1.64760462672 -3.63684642128 TCL: atom 1: phi = 1.15438725657 TCL: Center of mass = 58.4959790096 -1.64743297425 -3.63700226435 TCL: atom 1: phi = 1.1538637148 TCL: Center of mass = 58.4992658669 -1.64726167029 -3.63715953192 TCL: atom 1: phi = 1.15306014443 TCL: Center of mass = 58.5025505277 -1.64709248654 -3.63731465205 TCL: atom 1: phi = 1.15242459852 TCL: Center of mass = 58.5058318597 -1.64692634756 -3.63746264497 TCL: atom 1: phi = 1.15155475458 TCL: Center of mass = 58.5091165731 -1.64675898052 -3.63761176844 TCL: atom 1: phi = 1.15082253586 TCL: Center of mass = 58.5123987503 -1.64658794194 -3.63775520692 TCL: atom 1: phi = 1.1498979984 TCL: Center of mass = 58.5156957134 -1.64641618528 -3.63790546671 TCL: atom 1: phi = 1.14922626481 TCL: Center of mass = 58.5189862319 -1.64624840532 -3.63806277193 TCL: atom 1: phi = 1.14849115572 TCL: Center of mass = 58.5222839258 -1.64607999899 -3.63821656115 TCL: atom 1: phi = 1.14803746915 TCL: Center of mass = 58.5255774288 -1.64591874656 -3.63837276177 TCL: atom 1: phi = 1.14747615362 TCL: Center of mass = 58.5288682528 -1.64575326399 -3.6385202668 TCL: atom 1: phi = 1.14713544215 TCL: Center of mass = 58.5321606818 -1.64558636605 -3.63866939481 TCL: atom 1: phi = 1.1466435296 TCL: Center of mass = 58.5354491648 -1.64541239951 -3.63880905004 TCL: atom 1: phi = 1.14633975888 TCL: Center of mass = 58.5387319279 -1.64523372142 -3.63895269042 TCL: atom 1: phi = 1.14591851706 TCL: Center of mass = 58.542018314 -1.64504416432 -3.63908658615 TCL: atom 1: phi = 1.14574395904 TCL: Center of mass = 58.5452839699 -1.6448622745 -3.63921901573 TCL: atom 1: phi = 1.14560025734 TCL: Center of mass = 58.548550857 -1.6446710136 -3.63933763475 TCL: atom 1: phi = 1.14583936143 TCL: Center of mass = 58.5518148172 -1.6444719701 -3.63946918209 TCL: atom 1: phi = 1.14614489394 TCL: Center of mass = 58.5550614865 -1.64427295068 -3.63959945194 TCL: atom 1: phi = 1.1468186008 TCL: Center of mass = 58.5583159732 -1.64407203356 -3.63973241934 TCL: atom 1: phi = 1.14750947153 TCL: Center of mass = 58.5615751442 -1.64387530748 -3.63987289809 TCL: atom 1: phi = 1.14846861385 TCL: Center of mass = 58.5648171646 -1.64367348346 -3.64001634344 TCL: atom 1: phi = 1.14932175585 TCL: Center of mass = 58.5680640229 -1.64346353123 -3.64016640744 TCL: atom 1: phi = 1.15035748922 TCL: Center of mass = 58.5713091845 -1.64324686383 -3.64029648199 TCL: atom 1: phi = 1.1512133912 TCL: Center of mass = 58.5745584761 -1.64303911754 -3.64041470526 TCL: atom 1: phi = 1.15223204738 TCL: Center of mass = 58.5778175198 -1.64283726329 -3.64053201849 TCL: atom 1: phi = 1.15306455718 TCL: Center of mass = 58.5810708783 -1.64263528055 -3.6406576651 TCL: atom 1: phi = 1.15406322522 TCL: Center of mass = 58.5843330412 -1.64244001599 -3.64078407897 TCL: atom 1: phi = 1.15489265991 TCL: Center of mass = 58.5875924808 -1.64226074774 -3.64090658892 TCL: atom 1: phi = 1.15591178205 TCL: Center of mass = 58.5908612003 -1.64209194069 -3.64103072813 TCL: atom 1: phi = 1.1566923793 TCL: Center of mass = 58.5941221894 -1.64192141492 -3.64115088607 TCL: atom 1: phi = 1.15756342173 TCL: Center of mass = 58.5973794753 -1.64174125479 -3.64128106958 TCL: atom 1: phi = 1.15810486195 TCL: Center of mass = 58.6006418347 -1.64156161311 -3.64140022057 TCL: atom 1: phi = 1.15873027464 TCL: Center of mass = 58.6039167284 -1.64137252638 -3.6415239332 TCL: atom 1: phi = 1.15896788076 TCL: Center of mass = 58.6072001815 -1.6411925565 -3.64165224531 TCL: atom 1: phi = 1.15928643205 TCL: Center of mass = 58.6104737796 -1.64100158916 -3.64177681361 TCL: atom 1: phi = 1.15934271832 TCL: Center of mass = 58.6137534795 -1.6408065839 -3.64190680392 TCL: atom 1: phi = 1.15969419759 TCL: Center of mass = 58.6170399899 -1.64061449144 -3.64203672592 TCL: atom 1: phi = 1.15991177358 TCL: Center of mass = 58.6203229635 -1.64041496792 -3.64216007476 TCL: atom 1: phi = 1.16050491863 TCL: Center of mass = 58.6236058401 -1.64021531423 -3.64227414304 TCL: atom 1: phi = 1.16096955974 TCL: Center of mass = 58.6268939267 -1.64002210218 -3.64237854257 TCL: atom 1: phi = 1.16182125704 TCL: Center of mass = 58.6301782256 -1.63982038237 -3.6424851114 TCL: atom 1: phi = 1.16248077322 TCL: Center of mass = 58.6334630903 -1.63962531084 -3.64260126664 TCL: atom 1: phi = 1.16336351314 TCL: Center of mass = 58.636750165 -1.63942691567 -3.64271860037 TCL: atom 1: phi = 1.16399649302 TCL: Center of mass = 58.6400288626 -1.63923015591 -3.64282064441 TCL: atom 1: phi = 1.16482867032 TCL: Center of mass = 58.6432979956 -1.63903365292 -3.64292387563 TCL: atom 1: phi = 1.16537127227 TCL: Center of mass = 58.6465661734 -1.63883109827 -3.64302028648 TCL: atom 1: phi = 1.16612709177 TCL: Center of mass = 58.6498297358 -1.6386295933 -3.6431145685 TCL: atom 1: phi = 1.16664764617 TCL: Center of mass = 58.6530909136 -1.638423995 -3.6432125518 TCL: atom 1: phi = 1.16745798164 TCL: Center of mass = 58.6563595053 -1.63822091223 -3.64331113147 TCL: atom 1: phi = 1.16804594698 TCL: Center of mass = 58.659631878 -1.6380105455 -3.643411254 TCL: atom 1: phi = 1.16891050147 TCL: Center of mass = 58.662902014 -1.63779685027 -3.64351405701 TCL: atom 1: phi = 1.16947209523 TCL: Center of mass = 58.6661844795 -1.6375917135 -3.64362807995 TCL: atom 1: phi = 1.17024145269 TCL: Center of mass = 58.6694738025 -1.63738259101 -3.64374694032 TCL: atom 1: phi = 1.1706010076 TCL: Center of mass = 58.6727620472 -1.63718357881 -3.64386928423 TCL: atom 1: phi = 1.17111943193 TCL: Center of mass = 58.676042489 -1.63697600226 -3.64400121751 TCL: atom 1: phi = 1.17135025663 TCL: Center of mass = 58.6793195346 -1.63676872882 -3.64413697156 TCL: atom 1: phi = 1.17178046556 TCL: Center of mass = 58.6826024553 -1.63656263552 -3.64427411607 TCL: atom 1: phi = 1.17201241267 TCL: Center of mass = 58.6858853804 -1.63635021355 -3.64441966803 TCL: atom 1: phi = 1.17255934873 TCL: Center of mass = 58.6891745957 -1.63613053484 -3.64456210062 TCL: atom 1: phi = 1.17293457688 TCL: Center of mass = 58.6924605296 -1.63591787046 -3.64471072387 TCL: atom 1: phi = 1.17359430229 TCL: Center of mass = 58.6957416503 -1.63571469554 -3.64486365184 TCL: atom 1: phi = 1.1740105668 TCL: Center of mass = 58.6990201131 -1.6355103462 -3.6450200258 TCL: atom 1: phi = 1.17457530784 TCL: Center of mass = 58.7023068526 -1.63530230523 -3.6451731934 TCL: atom 1: phi = 1.17477787485 TCL: Center of mass = 58.7055920487 -1.63508553687 -3.64531185537 TCL: atom 1: phi = 1.175092778 TCL: Center of mass = 58.7088725272 -1.63486537919 -3.64546045816 TCL: atom 1: phi = 1.17496777305 TCL: Center of mass = 58.7121396879 -1.6346314704 -3.6456153024 TCL: atom 1: phi = 1.17497433345 TCL: Center of mass = 58.7153938921 -1.63440259637 -3.64577714857 TCL: atom 1: phi = 1.17470888307 TCL: Center of mass = 58.7186423811 -1.6341683192 -3.64594056009 TCL: atom 1: phi = 1.17466051013 TCL: Center of mass = 58.7218779505 -1.63392729771 -3.64611084885 TCL: atom 1: phi = 1.17433357287 TCL: Center of mass = 58.7251188971 -1.6336815054 -3.64628272546 TCL: atom 1: phi = 1.17422859245 TCL: Center of mass = 58.7283614168 -1.63342893798 -3.64646264548 TCL: atom 1: phi = 1.17386283452 TCL: Center of mass = 58.7316161297 -1.63317889417 -3.64664275619 TCL: atom 1: phi = 1.17364611185 TCL: Center of mass = 58.7348818859 -1.63293242011 -3.64683032763 TCL: atom 1: phi = 1.17309584628 TCL: Center of mass = 58.7381595945 -1.63269623701 -3.64702777825 TCL: atom 1: phi = 1.17268439039 TCL: Center of mass = 58.7414347212 -1.63246815381 -3.64723831162 TCL: atom 1: phi = 1.17204759525 TCL: Center of mass = 58.7447007598 -1.6322256223 -3.64745069303 TCL: atom 1: phi = 1.17170745102 TCL: Center of mass = 58.7479781057 -1.63198402283 -3.64767585105 TCL: atom 1: phi = 1.17124700275 TCL: Center of mass = 58.7512494693 -1.63174217724 -3.64789913577 TCL: atom 1: phi = 1.17116449857 TCL: Center of mass = 58.7545271348 -1.63150738805 -3.6481121832 TCL: atom 1: phi = 1.171010068 TCL: Center of mass = 58.7578082301 -1.63127553528 -3.64831660721 TCL: atom 1: phi = 1.17120164662 TCL: Center of mass = 58.7610906202 -1.63104469449 -3.64852300504 TCL: atom 1: phi = 1.17132856977 TCL: Center of mass = 58.7643609858 -1.6308186396 -3.64872693239 TCL: atom 1: phi = 1.17169998573 TCL: Center of mass = 58.7676265025 -1.63058955295 -3.64893305326 TCL: atom 1: phi = 1.1718699395 TCL: Center of mass = 58.7708987154 -1.6303792858 -3.6491556012 TCL: atom 1: phi = 1.17217611373 TCL: Center of mass = 58.7741750093 -1.63016643219 -3.64938721625 TCL: atom 1: phi = 1.17222117335 TCL: Center of mass = 58.7774581529 -1.62996025033 -3.64961441415 TCL: atom 1: phi = 1.17237018566 TCL: Center of mass = 58.7807521623 -1.62975944945 -3.64985076195 TCL: atom 1: phi = 1.17231352502 TCL: Center of mass = 58.784049642 -1.62955202404 -3.65008083989 TCL: atom 1: phi = 1.17245845783 TCL: Center of mass = 58.7873450623 -1.62934679687 -3.65029715607 TCL: atom 1: phi = 1.1724744584 TCL: Center of mass = 58.7906548639 -1.62914177571 -3.65050455279 TCL: atom 1: phi = 1.17272664429 TCL: Center of mass = 58.79396711 -1.62892885478 -3.65070599089 TCL: atom 1: phi = 1.17288341015 TCL: Center of mass = 58.7972734201 -1.62871426983 -3.65090870731 TCL: atom 1: phi = 1.17319751129 TIMING: 19400 CPU: 3334.32, 0.172774/step Wall: 4076.35, 0.21158/step, 0.0352634 hours remaining, 22108 kB of memory in use. ENERGY: 19400 400.0130 673.3368 426.3838 43.9546 -2778.2284 -215.9415 0.0000 0.0000 1177.4448 -273.0369 320.8866 -264.8918 -262.8540 319.0734 1353.0789 1743.3708 64000.0000 1331.4681 1330.1862 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19400 WRITING COORDINATES TO DCD FILE AT STEP 19400 WRITING COORDINATES TO RESTART FILE AT STEP 19400 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19400 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 58.8005706107 -1.62848126185 -3.65110935802 TCL: atom 1: phi = 1.1732870093 TCL: Center of mass = 58.8038762859 -1.62824634401 -3.65132182309 TCL: atom 1: phi = 1.17346862626 TCL: Center of mass = 58.8071729104 -1.62802012284 -3.65153604452 TCL: atom 1: phi = 1.17343465356 TCL: Center of mass = 58.8104684969 -1.62778643053 -3.65175658462 TCL: atom 1: phi = 1.1735507451 TCL: Center of mass = 58.8137514009 -1.62754126949 -3.65195759684 TCL: atom 1: phi = 1.17354451544 TCL: Center of mass = 58.817030867 -1.62730350182 -3.6521631143 TCL: atom 1: phi = 1.17381507584 TCL: Center of mass = 58.820308619 -1.62706607048 -3.65237807975 TCL: atom 1: phi = 1.17406644559 TCL: Center of mass = 58.8235827711 -1.62682698675 -3.65260377766 TCL: atom 1: phi = 1.17462196646 TCL: Center of mass = 58.8268727958 -1.62659274445 -3.65281618457 TCL: atom 1: phi = 1.17508827198 TCL: Center of mass = 58.8301713583 -1.62635390508 -3.6530265867 TCL: atom 1: phi = 1.17576323988 TCL: Center of mass = 58.8334643784 -1.626111434 -3.65323026665 TCL: atom 1: phi = 1.17622378823 TCL: Center of mass = 58.8367628319 -1.62586882869 -3.65341970498 TCL: atom 1: phi = 1.17675177081 TCL: Center of mass = 58.8400596195 -1.62561635705 -3.65360292006 TCL: atom 1: phi = 1.17700514075 TCL: Center of mass = 58.843354895 -1.62536595293 -3.65378656741 TCL: atom 1: phi = 1.17729604827 TCL: Center of mass = 58.8466597163 -1.62510866116 -3.6539633284 TCL: atom 1: phi = 1.1773497584 TCL: Center of mass = 58.8499569121 -1.62484725879 -3.65415028017 TCL: atom 1: phi = 1.17751458379 TCL: Center of mass = 58.8532619557 -1.62459170073 -3.65434387687 TCL: atom 1: phi = 1.1774865254 TCL: Center of mass = 58.8565608602 -1.62432840891 -3.65453129316 TCL: atom 1: phi = 1.17763860593 TCL: Center of mass = 58.8598553308 -1.6240670792 -3.6547013028 TCL: atom 1: phi = 1.17762281268 TCL: Center of mass = 58.8631544364 -1.62379590472 -3.65487144998 TCL: atom 1: phi = 1.17770726559 TCL: Center of mass = 58.8664423207 -1.62352194638 -3.655047258 TCL: atom 1: phi = 1.17753618892 TCL: Center of mass = 58.8697202333 -1.62325104636 -3.65522531655 TCL: atom 1: phi = 1.17745659717 TCL: Center of mass = 58.8729899495 -1.6229875058 -3.65540196632 TCL: atom 1: phi = 1.17707769378 TCL: Center of mass = 58.8762534917 -1.62272847225 -3.65558131421 TCL: atom 1: phi = 1.1768006663 TCL: Center of mass = 58.8795184559 -1.62246640967 -3.65576108492 TCL: atom 1: phi = 1.17632650769 TCL: Center of mass = 58.8827697307 -1.62221767144 -3.65593141964 TCL: atom 1: phi = 1.17611268672 TCL: Center of mass = 58.8860311565 -1.62196318983 -3.65610475497 TCL: atom 1: phi = 1.17583011392 TCL: Center of mass = 58.8892996847 -1.62170515739 -3.65626851932 TCL: atom 1: phi = 1.17584386904 TCL: Center of mass = 58.8925688301 -1.62145849008 -3.65642681607 TCL: atom 1: phi = 1.17583927216 TCL: Center of mass = 58.8958487798 -1.62121613573 -3.65658912156 TCL: atom 1: phi = 1.17614231678 TCL: Center of mass = 58.8991309224 -1.62098221572 -3.65673894941 TCL: atom 1: phi = 1.17636498624 TCL: Center of mass = 58.9024311265 -1.62073960617 -3.65687890031 TCL: atom 1: phi = 1.17677696226 TCL: Center of mass = 58.9057359362 -1.62049265203 -3.65702563838 TCL: atom 1: phi = 1.17698894576 TCL: Center of mass = 58.9090319576 -1.6202390356 -3.65717921602 TCL: atom 1: phi = 1.17731263613 TCL: Center of mass = 58.9123161889 -1.61998086667 -3.6573334733 TCL: atom 1: phi = 1.17740849566 TCL: Center of mass = 58.9155981314 -1.61972699349 -3.65747967806 TCL: atom 1: phi = 1.17768588847 TCL: Center of mass = 58.9188768307 -1.61946723819 -3.65762301695 TCL: atom 1: phi = 1.17778325324 TCL: Center of mass = 58.9221469949 -1.61920698196 -3.65777028048 TCL: atom 1: phi = 1.17810270463 TCL: Center of mass = 58.9254193533 -1.61894869583 -3.65791987237 TCL: atom 1: phi = 1.1782782846 TCL: Center of mass = 58.9286972998 -1.61868408726 -3.65807871107 TCL: atom 1: phi = 1.17867519431 TCL: Center of mass = 58.9319647553 -1.61841816248 -3.65824947775 TCL: atom 1: phi = 1.1789044964 TCL: Center of mass = 58.9352326609 -1.6181637684 -3.65842079342 TCL: atom 1: phi = 1.17932488601 TCL: Center of mass = 58.9384944212 -1.61791074836 -3.65859180212 TCL: atom 1: phi = 1.1795757041 TCL: Center of mass = 58.9417450535 -1.61765767018 -3.65876137417 TCL: atom 1: phi = 1.1800044071 TCL: Center of mass = 58.9450068568 -1.61740249091 -3.65894105511 TCL: atom 1: phi = 1.18027372156 TCL: Center of mass = 58.9482570591 -1.6171451628 -3.65911652823 TCL: atom 1: phi = 1.18084995565 TCL: Center of mass = 58.9515112458 -1.61688271265 -3.65930167854 TCL: atom 1: phi = 1.18135157427 TCL: Center of mass = 58.954770685 -1.61662835767 -3.65949765391 TCL: atom 1: phi = 1.18224174993 TCL: Center of mass = 58.9580257694 -1.61637233015 -3.65969515634 TCL: atom 1: phi = 1.18313990034 TCL: Center of mass = 58.9612839322 -1.61611536892 -3.6598880247 TCL: atom 1: phi = 1.18435256208 TCL: Center of mass = 58.9645605462 -1.61586189405 -3.66007968433 TCL: atom 1: phi = 1.185466212 TCL: Center of mass = 58.9678403612 -1.61559530806 -3.66027066046 TCL: atom 1: phi = 1.18681621242 TCL: Center of mass = 58.9711317779 -1.61533848017 -3.66047210846 TCL: atom 1: phi = 1.18791608298 TCL: Center of mass = 58.9744300787 -1.61509940409 -3.66066829733 TCL: atom 1: phi = 1.18909718623 TCL: Center of mass = 58.977725676 -1.61485013784 -3.66086426931 TCL: atom 1: phi = 1.18992821018 TCL: Center of mass = 58.9810146414 -1.61458679675 -3.66105736825 TCL: atom 1: phi = 1.1908936955 TCL: Center of mass = 58.9843062583 -1.61432842902 -3.66125504252 TCL: atom 1: phi = 1.19154969019 TCL: Center of mass = 58.9875926128 -1.61404663253 -3.66144459303 TCL: atom 1: phi = 1.19236010859 TCL: Center of mass = 58.990875012 -1.61376823516 -3.66162958512 TCL: atom 1: phi = 1.19284496941 TCL: Center of mass = 58.9941635372 -1.61349528285 -3.661819941 TCL: atom 1: phi = 1.19357568773 TCL: Center of mass = 58.9974523822 -1.61321684569 -3.66201317502 TCL: atom 1: phi = 1.19405285294 TCL: Center of mass = 59.0007427151 -1.61293942581 -3.66219601498 TCL: atom 1: phi = 1.194741781 TCL: Center of mass = 59.0040315642 -1.61265263459 -3.66237278412 TCL: atom 1: phi = 1.19514176128 TCL: Center of mass = 59.0073139264 -1.61237629484 -3.66255636673 TCL: atom 1: phi = 1.19575754648 TCL: Center of mass = 59.0105885922 -1.61209982431 -3.66273634104 TCL: atom 1: phi = 1.19605211187 TCL: Center of mass = 59.0138674144 -1.61183025136 -3.66292008295 TCL: atom 1: phi = 1.1966524378 TCL: Center of mass = 59.0171531143 -1.61155120431 -3.66310643231 TCL: atom 1: phi = 1.19701037086 TCL: Center of mass = 59.0204309902 -1.61126934965 -3.66329659721 TCL: atom 1: phi = 1.19777957496 TCL: Center of mass = 59.0237094762 -1.61098369907 -3.66348007055 TCL: atom 1: phi = 1.19840109295 TCL: Center of mass = 59.0269811934 -1.61071487589 -3.6636475041 TCL: atom 1: phi = 1.19946993117 TCL: Center of mass = 59.0302481704 -1.61043140116 -3.6638221488 TCL: atom 1: phi = 1.20032529259 TCL: Center of mass = 59.0335092496 -1.61015007529 -3.66400244763 TCL: atom 1: phi = 1.20150606721 TCL: Center of mass = 59.0367623492 -1.60987588669 -3.66418052438 TCL: atom 1: phi = 1.20234617881 TCL: Center of mass = 59.0400158498 -1.60959349056 -3.66435879962 TCL: atom 1: phi = 1.20340122259 TCL: Center of mass = 59.0432601706 -1.60931095254 -3.66453299239 TCL: atom 1: phi = 1.20400631455 TCL: Center of mass = 59.0465029523 -1.60902428098 -3.66469917316 TCL: atom 1: phi = 1.20482918635 TCL: Center of mass = 59.0497563901 -1.60873510364 -3.66486329597 TCL: atom 1: phi = 1.20522354349 TCL: Center of mass = 59.0530039549 -1.60845353612 -3.66503043336 TCL: atom 1: phi = 1.20585930687 TCL: Center of mass = 59.0562467445 -1.60817219482 -3.66519031585 TCL: atom 1: phi = 1.20613451037 TCL: Center of mass = 59.0595022906 -1.6078863816 -3.66534563395 TCL: atom 1: phi = 1.20668074352 TCL: Center of mass = 59.0627639514 -1.60760087943 -3.66549762751 TCL: atom 1: phi = 1.20684426531 TCL: Center of mass = 59.0660260658 -1.60731188724 -3.66563054903 TCL: atom 1: phi = 1.20728020454 TCL: Center of mass = 59.0692830437 -1.60702498575 -3.66575332814 TCL: atom 1: phi = 1.20728279924 TCL: Center of mass = 59.0725465201 -1.60674678653 -3.66587852958 TCL: atom 1: phi = 1.20753670414 TCL: Center of mass = 59.0758277493 -1.6064538361 -3.66600037139 TCL: atom 1: phi = 1.20743284151 TCL: Center of mass = 59.0790938703 -1.60615848119 -3.66612247857 TCL: atom 1: phi = 1.2075956035 TCL: Center of mass = 59.0823479284 -1.60586219042 -3.66624632378 TCL: atom 1: phi = 1.20747167629 TCL: Center of mass = 59.0855957167 -1.60557097964 -3.66636877004 TCL: atom 1: phi = 1.20772609404 TCL: Center of mass = 59.0888428927 -1.60528915904 -3.66649855602 TCL: atom 1: phi = 1.20784732278 TCL: Center of mass = 59.0920868365 -1.60502356209 -3.66663750086 TCL: atom 1: phi = 1.20838992206 TCL: Center of mass = 59.0953272172 -1.6047652231 -3.66676726903 TCL: atom 1: phi = 1.20870800727 TCL: Center of mass = 59.0985676082 -1.60451258685 -3.66688646449 TCL: atom 1: phi = 1.20928186723 TCL: Center of mass = 59.1018070105 -1.60427249597 -3.66701695907 TCL: atom 1: phi = 1.20954166939 TCL: Center of mass = 59.1050402995 -1.60402501535 -3.6671521521 TCL: atom 1: phi = 1.20993522256 TCL: Center of mass = 59.1082734752 -1.6037736587 -3.66728377166 TCL: atom 1: phi = 1.20994174109 TCL: Center of mass = 59.111510366 -1.60352190866 -3.66741218592 TCL: atom 1: phi = 1.21006918954 TCL: Center of mass = 59.1147481096 -1.60326281174 -3.66754478758 TCL: atom 1: phi = 1.20979615284 TCL: Center of mass = 59.1179745429 -1.60300948367 -3.66766567706 TCL: atom 1: phi = 1.20961946473 TCL: Center of mass = 59.1212071771 -1.60275766026 -3.66778967601 TCL: atom 1: phi = 1.20908868994 TCL: Center of mass = 59.1244404438 -1.60251182206 -3.66791269129 TCL: atom 1: phi = 1.20874106352 TIMING: 19500 CPU: 3351.6, 0.172714/step Wall: 4097.5, 0.211521/step, 0.029378 hours remaining, 22108 kB of memory in use. ENERGY: 19500 376.2690 709.7675 413.6792 46.2927 -2760.4540 -215.1661 0.0000 0.0000 1137.9024 -291.7093 310.1102 -283.2921 -282.5435 314.8889 1355.1035 1483.3239 64000.0000 1555.1134 1550.6538 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19500 WRITING COORDINATES TO DCD FILE AT STEP 19500 WRITING COORDINATES TO RESTART FILE AT STEP 19500 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19500 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 59.1276804569 -1.60225735038 -3.66802533107 TCL: atom 1: phi = 1.20815895564 TCL: Center of mass = 59.1309190399 -1.60200147569 -3.66814207516 TCL: atom 1: phi = 1.20778069582 TCL: Center of mass = 59.1341558882 -1.60174728146 -3.66826423345 TCL: atom 1: phi = 1.20723057086 TCL: Center of mass = 59.1374026036 -1.60149601707 -3.66838397461 TCL: atom 1: phi = 1.20689062572 TCL: Center of mass = 59.1406492451 -1.60124000243 -3.66849116135 TCL: atom 1: phi = 1.20637889944 TCL: Center of mass = 59.1438913608 -1.60098775801 -3.66859564615 TCL: atom 1: phi = 1.20602963904 TCL: Center of mass = 59.1471279736 -1.60073383408 -3.66868833454 TCL: atom 1: phi = 1.20560306228 TCL: Center of mass = 59.1503663337 -1.60047492085 -3.6687781199 TCL: atom 1: phi = 1.20551279553 TCL: Center of mass = 59.153591403 -1.60022875262 -3.66887122969 TCL: atom 1: phi = 1.20547361409 TCL: Center of mass = 59.1568133337 -1.59998423657 -3.6689620946 TCL: atom 1: phi = 1.2058600853 TCL: Center of mass = 59.1600358799 -1.59974210641 -3.66905172304 TCL: atom 1: phi = 1.2063081115 TCL: Center of mass = 59.1632587701 -1.59950206815 -3.66913547477 TCL: atom 1: phi = 1.20710684447 TCL: Center of mass = 59.1664848694 -1.59926373977 -3.66922575705 TCL: atom 1: phi = 1.20787266357 TCL: Center of mass = 59.1696959455 -1.59904681889 -3.66931496178 TCL: atom 1: phi = 1.20880648112 TCL: Center of mass = 59.1729103968 -1.59882530547 -3.66939624006 TCL: atom 1: phi = 1.2095405734 TCL: Center of mass = 59.1761191719 -1.59860866076 -3.66946395455 TCL: atom 1: phi = 1.21041772194 TCL: Center of mass = 59.1793255224 -1.59838823499 -3.66954465553 TCL: atom 1: phi = 1.2110755883 TCL: Center of mass = 59.1825337122 -1.59816569041 -3.66963350311 TCL: atom 1: phi = 1.21187270499 TCL: Center of mass = 59.1857582312 -1.59795704229 -3.66972228723 TCL: atom 1: phi = 1.21249082173 TCL: Center of mass = 59.1889844029 -1.59774091545 -3.66981786491 TCL: atom 1: phi = 1.21327523817 TCL: Center of mass = 59.1922072711 -1.59753257813 -3.66990963943 TCL: atom 1: phi = 1.21394867125 TCL: Center of mass = 59.1954277714 -1.59732365052 -3.66999652039 TCL: atom 1: phi = 1.21489658755 TCL: Center of mass = 59.1986482369 -1.59711432019 -3.67008408423 TCL: atom 1: phi = 1.21573092251 TCL: Center of mass = 59.2018659617 -1.59690795951 -3.67018143843 TCL: atom 1: phi = 1.21675804846 TCL: Center of mass = 59.205082068 -1.59670856592 -3.67028205069 TCL: atom 1: phi = 1.21758857098 TCL: Center of mass = 59.2083012507 -1.59651492912 -3.67039174117 TCL: atom 1: phi = 1.21865665631 TCL: Center of mass = 59.2115179301 -1.59631918573 -3.67050831288 TCL: atom 1: phi = 1.21959749568 TCL: Center of mass = 59.2147258377 -1.59612897361 -3.67061005814 TCL: atom 1: phi = 1.22070602231 TCL: Center of mass = 59.2179281947 -1.59594170612 -3.67070547939 TCL: atom 1: phi = 1.2217278818 TCL: Center of mass = 59.2211294102 -1.59576702086 -3.67079144403 TCL: atom 1: phi = 1.22303131598 TCL: Center of mass = 59.2243320652 -1.59559909979 -3.67087615925 TCL: atom 1: phi = 1.22423091314 TCL: Center of mass = 59.227537004 -1.59543793949 -3.67096414925 TCL: atom 1: phi = 1.22564929737 TCL: Center of mass = 59.230750494 -1.59528095312 -3.67104794394 TCL: atom 1: phi = 1.22682875588 TCL: Center of mass = 59.233955023 -1.59513414921 -3.67112895324 TCL: atom 1: phi = 1.22814421294 TCL: Center of mass = 59.2371573713 -1.59499244679 -3.67120724814 TCL: atom 1: phi = 1.22910106131 TCL: Center of mass = 59.2403494146 -1.59484264845 -3.67128059573 TCL: atom 1: phi = 1.23005429558 TCL: Center of mass = 59.2435385167 -1.59469222028 -3.67136277393 TCL: atom 1: phi = 1.2305663314 TCL: Center of mass = 59.2467165367 -1.59455736483 -3.67143873938 TCL: atom 1: phi = 1.2310798112 TCL: Center of mass = 59.2499020599 -1.59441626458 -3.67151035836 TCL: atom 1: phi = 1.23116592698 TCL: Center of mass = 59.2530809866 -1.59427363041 -3.67158980327 TCL: atom 1: phi = 1.23129725369 TCL: Center of mass = 59.256271119 -1.59413317842 -3.67166282367 TCL: atom 1: phi = 1.23110487485 TCL: Center of mass = 59.259454947 -1.59399049685 -3.67174683418 TCL: atom 1: phi = 1.23110402081 TCL: Center of mass = 59.2626388376 -1.59385666594 -3.67184660935 TCL: atom 1: phi = 1.23085353591 TCL: Center of mass = 59.2658235883 -1.59372615298 -3.6719374027 TCL: atom 1: phi = 1.23082705547 TCL: Center of mass = 59.2690145464 -1.5935997135 -3.67203199934 TCL: atom 1: phi = 1.2305259601 TCL: Center of mass = 59.2722041609 -1.59346249031 -3.67211700137 TCL: atom 1: phi = 1.23042498376 TCL: Center of mass = 59.2754040538 -1.59330313492 -3.67219562023 TCL: atom 1: phi = 1.23010297883 TCL: Center of mass = 59.2785964502 -1.59313632736 -3.67227489726 TCL: atom 1: phi = 1.23003820598 TCL: Center of mass = 59.2817860104 -1.59295534964 -3.67236133074 TCL: atom 1: phi = 1.2298482004 TCL: Center of mass = 59.2849781422 -1.59277616288 -3.67245131045 TCL: atom 1: phi = 1.22997765577 TCL: Center of mass = 59.2881832104 -1.59259568624 -3.67254141363 TCL: atom 1: phi = 1.22998307066 TCL: Center of mass = 59.2913876566 -1.59242251226 -3.67263253607 TCL: atom 1: phi = 1.23034598736 TCL: Center of mass = 59.2945894342 -1.59224972369 -3.67271970476 TCL: atom 1: phi = 1.23060920682 TCL: Center of mass = 59.2977954426 -1.59206403912 -3.67280224921 TCL: atom 1: phi = 1.2311242152 TCL: Center of mass = 59.3010054576 -1.59189895194 -3.67288995358 TCL: atom 1: phi = 1.23141518755 TCL: Center of mass = 59.3042122189 -1.59172624447 -3.67298514657 TCL: atom 1: phi = 1.23183817213 TCL: Center of mass = 59.3074164565 -1.59155209545 -3.67307972935 TCL: atom 1: phi = 1.2319044013 TCL: Center of mass = 59.3106204256 -1.59138504525 -3.67317157529 TCL: atom 1: phi = 1.23203194693 TCL: Center of mass = 59.3138256846 -1.5912303227 -3.67324873846 TCL: atom 1: phi = 1.23179818605 TCL: Center of mass = 59.317036042 -1.59107936867 -3.67331141551 TCL: atom 1: phi = 1.23164555617 TCL: Center of mass = 59.3202573308 -1.59092740623 -3.67336926935 TCL: atom 1: phi = 1.23126756498 TCL: Center of mass = 59.3234715945 -1.59077761724 -3.67341311615 TCL: atom 1: phi = 1.23113370467 TCL: Center of mass = 59.3266907182 -1.59061351761 -3.67346359522 TCL: atom 1: phi = 1.23080202454 TCL: Center of mass = 59.3299081605 -1.59044571582 -3.67351759387 TCL: atom 1: phi = 1.23071407811 TCL: Center of mass = 59.3331324235 -1.59027395742 -3.67358773721 TCL: atom 1: phi = 1.23046499324 TCL: Center of mass = 59.3363537814 -1.59009797974 -3.67366869267 TCL: atom 1: phi = 1.23040238582 TCL: Center of mass = 59.3395734037 -1.58992743395 -3.67375249407 TCL: atom 1: phi = 1.23012723779 TCL: Center of mass = 59.3427880906 -1.58976495997 -3.67384773453 TCL: atom 1: phi = 1.23001593118 TCL: Center of mass = 59.3459936819 -1.58958973472 -3.67394741851 TCL: atom 1: phi = 1.22971770091 TCL: Center of mass = 59.3491948369 -1.58942345298 -3.67404962457 TCL: atom 1: phi = 1.22965871839 TCL: Center of mass = 59.3523983774 -1.58925971299 -3.67414125157 TCL: atom 1: phi = 1.22946709185 TCL: Center of mass = 59.3555913112 -1.58909181939 -3.67423312079 TCL: atom 1: phi = 1.22954011037 TCL: Center of mass = 59.3587794371 -1.58891238653 -3.67432765323 TCL: atom 1: phi = 1.2294720012 TCL: Center of mass = 59.3619732051 -1.58873453273 -3.67442201152 TCL: atom 1: phi = 1.22958428251 TCL: Center of mass = 59.365169657 -1.58854126486 -3.67451266578 TCL: atom 1: phi = 1.22950144142 TCL: Center of mass = 59.3683647539 -1.58835960619 -3.6746055204 TCL: atom 1: phi = 1.2295400625 TCL: Center of mass = 59.3715647189 -1.58816438573 -3.67469888373 TCL: atom 1: phi = 1.22924599539 TCL: Center of mass = 59.3747595873 -1.5879780981 -3.67478985446 TCL: atom 1: phi = 1.22902253742 TCL: Center of mass = 59.3779386474 -1.58778335777 -3.67488060191 TCL: atom 1: phi = 1.22848607127 TCL: Center of mass = 59.3811306582 -1.58759716283 -3.67496754593 TCL: atom 1: phi = 1.22805410222 TCL: Center of mass = 59.3843166312 -1.58741128192 -3.67505574374 TCL: atom 1: phi = 1.22743229613 TCL: Center of mass = 59.3874848086 -1.58722715603 -3.67514934133 TCL: atom 1: phi = 1.22701739518 TCL: Center of mass = 59.3906484418 -1.58705291499 -3.67524623981 TCL: atom 1: phi = 1.22658722768 TCL: Center of mass = 59.3938153057 -1.58688402123 -3.67533702037 TCL: atom 1: phi = 1.22649442421 TCL: Center of mass = 59.3969906017 -1.58670760256 -3.6754308525 TCL: atom 1: phi = 1.22641789355 TCL: Center of mass = 59.4001733082 -1.58653662505 -3.6755260762 TCL: atom 1: phi = 1.22669866904 TCL: Center of mass = 59.4033541424 -1.58637293339 -3.67562579478 TCL: atom 1: phi = 1.22690838818 TCL: Center of mass = 59.4065381251 -1.58620868379 -3.67571224019 TCL: atom 1: phi = 1.22745706922 TCL: Center of mass = 59.4097176563 -1.58604785829 -3.67579314494 TCL: atom 1: phi = 1.22792941287 TCL: Center of mass = 59.4128894423 -1.58589977228 -3.67587225106 TCL: atom 1: phi = 1.22868999891 TCL: Center of mass = 59.4160652254 -1.58573654354 -3.67595381074 TCL: atom 1: phi = 1.22939803638 TCL: Center of mass = 59.4192383276 -1.58557529701 -3.67604104241 TCL: atom 1: phi = 1.23040824791 TCL: Center of mass = 59.4223995419 -1.58541803469 -3.67611479835 TCL: atom 1: phi = 1.23132858653 TCL: Center of mass = 59.4255703089 -1.58526270748 -3.67618192494 TCL: atom 1: phi = 1.2326314346 TCL: Center of mass = 59.4287584041 -1.58510972715 -3.67624959282 TCL: atom 1: phi = 1.23379886909 TCL: Center of mass = 59.4319454966 -1.58494763477 -3.67631265665 TCL: atom 1: phi = 1.23520597506 TCL: Center of mass = 59.4351278155 -1.58478237193 -3.67639303824 TCL: atom 1: phi = 1.23632342331 TCL: Center of mass = 59.4383241978 -1.58462790294 -3.6764695505 TCL: atom 1: phi = 1.23752237231 TCL: Center of mass = 59.4415070209 -1.58447366307 -3.67654539545 TCL: atom 1: phi = 1.23828523375 TCL: Center of mass = 59.444699119 -1.5843122004 -3.67662578974 TCL: atom 1: phi = 1.23913232808 TIMING: 19600 CPU: 3368.89, 0.172984/step Wall: 4118.69, 0.211906/step, 0.0235452 hours remaining, 22108 kB of memory in use. ENERGY: 19600 405.8809 679.6519 412.8792 45.0117 -2804.4946 -205.8628 0.0000 0.0000 1161.4037 -305.5300 316.5150 -296.7368 -297.3600 313.1010 1589.5241 1675.8979 64000.0000 1235.6377 1229.1512 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19600 WRITING COORDINATES TO DCD FILE AT STEP 19600 WRITING COORDINATES TO RESTART FILE AT STEP 19600 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19600 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 59.447877857 -1.58415186283 -3.67671349892 TCL: atom 1: phi = 1.23957289949 TCL: Center of mass = 59.4510472748 -1.58398627158 -3.67679577259 TCL: atom 1: phi = 1.24019502882 TCL: Center of mass = 59.4542141006 -1.58382548717 -3.6768854217 TCL: atom 1: phi = 1.24059377791 TCL: Center of mass = 59.4573952057 -1.58365974045 -3.67696959172 TCL: atom 1: phi = 1.24128520999 TCL: Center of mass = 59.4605685527 -1.58349883866 -3.67704929356 TCL: atom 1: phi = 1.24169472355 TCL: Center of mass = 59.4637370996 -1.58333667808 -3.67713264225 TCL: atom 1: phi = 1.24238091971 TCL: Center of mass = 59.4669132175 -1.58318071609 -3.67723098825 TCL: atom 1: phi = 1.24280543539 TCL: Center of mass = 59.4700948808 -1.58301436339 -3.67733237132 TCL: atom 1: phi = 1.24344088753 TCL: Center of mass = 59.4732800924 -1.58284946106 -3.67743117482 TCL: atom 1: phi = 1.2437038676 TCL: Center of mass = 59.4764711234 -1.58267398889 -3.677541262 TCL: atom 1: phi = 1.24417971857 TCL: Center of mass = 59.4796453777 -1.58248626321 -3.67765321429 TCL: atom 1: phi = 1.24428406345 TCL: Center of mass = 59.4828347006 -1.5823022092 -3.67776674636 TCL: atom 1: phi = 1.2445840565 TCL: Center of mass = 59.4860238912 -1.58211055075 -3.67788233875 TCL: atom 1: phi = 1.24453769239 TCL: Center of mass = 59.4892094717 -1.58192054793 -3.67799317471 TCL: atom 1: phi = 1.24475141165 TCL: Center of mass = 59.4924028917 -1.58172241991 -3.67809796014 TCL: atom 1: phi = 1.24462601069 TCL: Center of mass = 59.4955939377 -1.58153203675 -3.67821287071 TCL: atom 1: phi = 1.24467134117 TCL: Center of mass = 59.4987896056 -1.58134264852 -3.67833255052 TCL: atom 1: phi = 1.24430173195 TCL: Center of mass = 59.5019941316 -1.5811375941 -3.67845401327 TCL: atom 1: phi = 1.24405097049 TCL: Center of mass = 59.5051909391 -1.58092736118 -3.67857659798 TCL: atom 1: phi = 1.24339344591 TCL: Center of mass = 59.5083840252 -1.58071841531 -3.67870224861 TCL: atom 1: phi = 1.24284153459 TCL: Center of mass = 59.5115805718 -1.58050850827 -3.67883118655 TCL: atom 1: phi = 1.24200094587 TCL: Center of mass = 59.5147746962 -1.58030021812 -3.67895682033 TCL: atom 1: phi = 1.24138754836 TCL: Center of mass = 59.5179717117 -1.58009673845 -3.67908052144 TCL: atom 1: phi = 1.24065945226 TCL: Center of mass = 59.521165041 -1.57988694842 -3.67920217605 TCL: atom 1: phi = 1.24030359924 TCL: Center of mass = 59.5243616372 -1.5796906092 -3.67933043807 TCL: atom 1: phi = 1.23991129689 TCL: Center of mass = 59.527555296 -1.57948780511 -3.67943828445 TCL: atom 1: phi = 1.23992188287 TCL: Center of mass = 59.5307422512 -1.57928937266 -3.67954192005 TCL: atom 1: phi = 1.23986441473 TCL: Center of mass = 59.5339339693 -1.57909695612 -3.67965269082 TCL: atom 1: phi = 1.2401347251 TCL: Center of mass = 59.5371121223 -1.57891199606 -3.67975996791 TCL: atom 1: phi = 1.24026664605 TCL: Center of mass = 59.5402800528 -1.578729626 -3.67986161824 TCL: atom 1: phi = 1.24061524833 TCL: Center of mass = 59.5434563086 -1.57855370847 -3.67997391636 TCL: atom 1: phi = 1.24073945389 TCL: Center of mass = 59.5466398077 -1.57837014735 -3.68008398205 TCL: atom 1: phi = 1.24104144401 TCL: Center of mass = 59.5498155764 -1.57817872855 -3.68018868206 TCL: atom 1: phi = 1.2412183255 TCL: Center of mass = 59.5529955525 -1.57797865928 -3.68029161097 TCL: atom 1: phi = 1.24157562977 TCL: Center of mass = 59.5561795591 -1.57777351024 -3.68039396994 TCL: atom 1: phi = 1.24179340889 TCL: Center of mass = 59.5593744398 -1.57756557267 -3.68049765041 TCL: atom 1: phi = 1.24214187207 TCL: Center of mass = 59.5625606173 -1.57736081361 -3.68059953019 TCL: atom 1: phi = 1.242219993 TCL: Center of mass = 59.5657492316 -1.57717028152 -3.68069088023 TCL: atom 1: phi = 1.24238562635 TCL: Center of mass = 59.5689253279 -1.57697569818 -3.68078654861 TCL: atom 1: phi = 1.24220616692 TCL: Center of mass = 59.57211183 -1.57679062096 -3.68089196191 TCL: atom 1: phi = 1.2420379589 TCL: Center of mass = 59.5752936245 -1.57660832331 -3.6809945512 TCL: atom 1: phi = 1.24152289294 TCL: Center of mass = 59.5784741919 -1.57642025862 -3.68110365888 TCL: atom 1: phi = 1.24104132776 TCL: Center of mass = 59.5816691126 -1.5762274873 -3.68120468377 TCL: atom 1: phi = 1.24035071252 TCL: Center of mass = 59.5848611689 -1.57604729037 -3.68132783877 TCL: atom 1: phi = 1.23982222086 TCL: Center of mass = 59.5880501705 -1.5758708631 -3.68145496004 TCL: atom 1: phi = 1.23922929664 TCL: Center of mass = 59.5912281378 -1.57570340136 -3.68159018586 TCL: atom 1: phi = 1.23895346003 TCL: Center of mass = 59.5944100068 -1.57552455935 -3.68173856463 TCL: atom 1: phi = 1.23868794044 TCL: Center of mass = 59.5975766255 -1.57535601006 -3.68189924394 TCL: atom 1: phi = 1.23869440035 TCL: Center of mass = 59.600738657 -1.57518325885 -3.68206575317 TCL: atom 1: phi = 1.23858562749 TCL: Center of mass = 59.6039083535 -1.57500215628 -3.68222837379 TCL: atom 1: phi = 1.23851236163 TCL: Center of mass = 59.6070791364 -1.57483162412 -3.68238471245 TCL: atom 1: phi = 1.23815985007 TCL: Center of mass = 59.6102521599 -1.57466020521 -3.68254868291 TCL: atom 1: phi = 1.23790845636 TCL: Center of mass = 59.6134294196 -1.57448781312 -3.68272225647 TCL: atom 1: phi = 1.23746980651 TCL: Center of mass = 59.6166085749 -1.57431997853 -3.68290405962 TCL: atom 1: phi = 1.23720571823 TCL: Center of mass = 59.6197873429 -1.57415319461 -3.68307937271 TCL: atom 1: phi = 1.23680421829 TCL: Center of mass = 59.6229728461 -1.57398078213 -3.68325844837 TCL: atom 1: phi = 1.23658038207 TCL: Center of mass = 59.6261500807 -1.57382559151 -3.683437029 TCL: atom 1: phi = 1.23620429696 TCL: Center of mass = 59.6293369462 -1.57366207922 -3.68360463019 TCL: atom 1: phi = 1.23596267178 TCL: Center of mass = 59.6325275529 -1.57350579751 -3.68377150853 TCL: atom 1: phi = 1.23550371925 TCL: Center of mass = 59.6357109886 -1.5733448664 -3.68393342867 TCL: atom 1: phi = 1.23504817399 TCL: Center of mass = 59.6388865906 -1.57317907533 -3.68409553728 TCL: atom 1: phi = 1.23431149412 TCL: Center of mass = 59.6420485807 -1.57300791735 -3.68425362847 TCL: atom 1: phi = 1.23361154855 TCL: Center of mass = 59.645219563 -1.57283771377 -3.68439805651 TCL: atom 1: phi = 1.23279620546 TCL: Center of mass = 59.6483871628 -1.57266650486 -3.68454470494 TCL: atom 1: phi = 1.23218517764 TCL: Center of mass = 59.6515727788 -1.57248504478 -3.68468625907 TCL: atom 1: phi = 1.23158864774 TCL: Center of mass = 59.6547471675 -1.57230631066 -3.684823201 TCL: atom 1: phi = 1.23134609146 TCL: Center of mass = 59.6579194021 -1.5721198995 -3.68495322459 TCL: atom 1: phi = 1.23120547881 TCL: Center of mass = 59.6610853832 -1.57194146475 -3.68508679528 TCL: atom 1: phi = 1.2313747326 TCL: Center of mass = 59.664253119 -1.57177728326 -3.68522043425 TCL: atom 1: phi = 1.23147112253 TCL: Center of mass = 59.6674113114 -1.57161260537 -3.68536697641 TCL: atom 1: phi = 1.23165749623 TCL: Center of mass = 59.670565462 -1.57144704491 -3.68551675935 TCL: atom 1: phi = 1.2316113499 TCL: Center of mass = 59.673716205 -1.5712779677 -3.68565628433 TCL: atom 1: phi = 1.23160884953 TCL: Center of mass = 59.6768518444 -1.57111131894 -3.68578967635 TCL: atom 1: phi = 1.23138767205 TCL: Center of mass = 59.6799861929 -1.57095853815 -3.6859155169 TCL: atom 1: phi = 1.23127392095 TCL: Center of mass = 59.683121051 -1.57080048426 -3.68603500949 TCL: atom 1: phi = 1.23094407988 TCL: Center of mass = 59.6862349849 -1.57064353077 -3.68614916517 TCL: atom 1: phi = 1.23075290235 TCL: Center of mass = 59.6893426321 -1.57048861539 -3.6862603364 TCL: atom 1: phi = 1.23038926067 TCL: Center of mass = 59.6924490675 -1.57033309988 -3.68636665236 TCL: atom 1: phi = 1.23015052628 TCL: Center of mass = 59.6955488141 -1.57017130653 -3.68648099723 TCL: atom 1: phi = 1.22962868315 TCL: Center of mass = 59.698641741 -1.57000572498 -3.68660304622 TCL: atom 1: phi = 1.22916090237 TCL: Center of mass = 59.7017368323 -1.56985528443 -3.68671573147 TCL: atom 1: phi = 1.2284024994 TCL: Center of mass = 59.7048215027 -1.56970147518 -3.68683003324 TCL: atom 1: phi = 1.22769683471 TCL: Center of mass = 59.7079076137 -1.56954243184 -3.68693442647 TCL: atom 1: phi = 1.2266857417 TCL: Center of mass = 59.7109976596 -1.56938700492 -3.68703829734 TCL: atom 1: phi = 1.22582607399 TCL: Center of mass = 59.7140912273 -1.56923662868 -3.68715079571 TCL: atom 1: phi = 1.22486722196 TCL: Center of mass = 59.7171807907 -1.56908131454 -3.68725835917 TCL: atom 1: phi = 1.22418799436 TCL: Center of mass = 59.7202675845 -1.56893030909 -3.68736327278 TCL: atom 1: phi = 1.22353890202 TCL: Center of mass = 59.7233501295 -1.56878779989 -3.68748338239 TCL: atom 1: phi = 1.22319630021 TCL: Center of mass = 59.7264287445 -1.56863390032 -3.68760902285 TCL: atom 1: phi = 1.22274559232 TCL: Center of mass = 59.729511691 -1.56848089555 -3.6877442278 TCL: atom 1: phi = 1.22247166784 TCL: Center of mass = 59.7325812707 -1.56830925525 -3.68787479166 TCL: atom 1: phi = 1.2220198342 TCL: Center of mass = 59.7356498951 -1.56813990338 -3.68799935746 TCL: atom 1: phi = 1.22168992505 TCL: Center of mass = 59.7387085404 -1.56797458099 -3.68813244736 TCL: atom 1: phi = 1.22116523965 TCL: Center of mass = 59.7417675145 -1.5678077508 -3.68825658697 TCL: atom 1: phi = 1.2208007502 TCL: Center of mass = 59.7448280124 -1.56765103752 -3.68839258178 TCL: atom 1: phi = 1.22026179002 TCL: Center of mass = 59.747882271 -1.56748864171 -3.68852902074 TCL: atom 1: phi = 1.21991003865 TCL: Center of mass = 59.7509321772 -1.56732082652 -3.68866505754 TCL: atom 1: phi = 1.21945923279 TCL: Center of mass = 59.753979351 -1.56715113241 -3.68880572286 TCL: atom 1: phi = 1.21923644011 TCL: Center of mass = 59.7570186383 -1.56699125768 -3.68892828206 TCL: atom 1: phi = 1.21883983584 TCL: Center of mass = 59.7600561246 -1.56683208824 -3.68905616218 TCL: atom 1: phi = 1.2186174425 TIMING: 19700 CPU: 3386.17, 0.172744/step Wall: 4139.85, 0.211571/step, 0.0176309 hours remaining, 22108 kB of memory in use. ENERGY: 19700 418.3792 688.9566 415.6626 50.8088 -2791.1029 -229.2487 0.0000 0.0000 1145.4185 -301.1259 312.1586 -292.4609 -292.6461 313.8392 1189.6928 1193.7782 64000.0000 1306.5786 1310.9878 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19700 WRITING COORDINATES TO DCD FILE AT STEP 19700 WRITING COORDINATES TO RESTART FILE AT STEP 19700 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19700 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 59.7630828196 -1.56666510401 -3.68918865234 TCL: atom 1: phi = 1.21818979036 TCL: Center of mass = 59.7660923498 -1.56649754191 -3.68931136028 TCL: atom 1: phi = 1.21789388219 TCL: Center of mass = 59.7691045831 -1.56632843534 -3.68943429441 TCL: atom 1: phi = 1.21738814063 TCL: Center of mass = 59.7721134455 -1.56615356348 -3.68956509246 TCL: atom 1: phi = 1.21708714213 TCL: Center of mass = 59.775107305 -1.56597963766 -3.68968641977 TCL: atom 1: phi = 1.21675644835 TCL: Center of mass = 59.7780840237 -1.56581785553 -3.68981640559 TCL: atom 1: phi = 1.21680307404 TCL: Center of mass = 59.7810628045 -1.56567382032 -3.68995079905 TCL: atom 1: phi = 1.21693127832 TCL: Center of mass = 59.784039301 -1.56552397328 -3.69008282696 TCL: atom 1: phi = 1.21745906602 TCL: Center of mass = 59.7870213803 -1.56537989707 -3.69021244671 TCL: atom 1: phi = 1.21800927736 TCL: Center of mass = 59.7899973216 -1.56523783138 -3.69034118414 TCL: atom 1: phi = 1.21890969407 TCL: Center of mass = 59.7929730625 -1.56509391298 -3.69047886977 TCL: atom 1: phi = 1.21961179273 TCL: Center of mass = 59.7959524 -1.56495769989 -3.69061715261 TCL: atom 1: phi = 1.22045945854 TCL: Center of mass = 59.7989393474 -1.56481513607 -3.69075658546 TCL: atom 1: phi = 1.22094242724 TCL: Center of mass = 59.8019165725 -1.56468089821 -3.69089652548 TCL: atom 1: phi = 1.22152345031 TCL: Center of mass = 59.8048951552 -1.56454519811 -3.6910420686 TCL: atom 1: phi = 1.22174030523 TCL: Center of mass = 59.8078837497 -1.56439485287 -3.69118642308 TCL: atom 1: phi = 1.22214573287 TCL: Center of mass = 59.810873027 -1.56423898248 -3.69132490171 TCL: atom 1: phi = 1.22224091516 TCL: Center of mass = 59.8138603749 -1.56407709483 -3.69146079673 TCL: atom 1: phi = 1.2225588943 TCL: Center of mass = 59.8168490331 -1.56392131043 -3.69159090985 TCL: atom 1: phi = 1.2225292986 TCL: Center of mass = 59.8198463069 -1.56377476804 -3.69172040958 TCL: atom 1: phi = 1.22270367289 TCL: Center of mass = 59.8228434929 -1.56362845426 -3.69185775486 TCL: atom 1: phi = 1.2223640898 TCL: Center of mass = 59.8258501906 -1.56348036329 -3.69200441009 TCL: atom 1: phi = 1.22217753234 TCL: Center of mass = 59.8288550638 -1.56333416283 -3.69215725565 TCL: atom 1: phi = 1.22151039199 TCL: Center of mass = 59.8318675118 -1.56319322342 -3.69229666687 TCL: atom 1: phi = 1.22106646013 TCL: Center of mass = 59.834886394 -1.563057769 -3.69244533456 TCL: atom 1: phi = 1.220275605 TCL: Center of mass = 59.8378984511 -1.56293106063 -3.69258879403 TCL: atom 1: phi = 1.21977832044 TCL: Center of mass = 59.8409273146 -1.56279542331 -3.69273014502 TCL: atom 1: phi = 1.21898663971 TCL: Center of mass = 59.8439606341 -1.56264918198 -3.69286900331 TCL: atom 1: phi = 1.21864282524 TCL: Center of mass = 59.8469970482 -1.56250090153 -3.69301458868 TCL: atom 1: phi = 1.21799598125 TCL: Center of mass = 59.8500266128 -1.56235570134 -3.69315930509 TCL: atom 1: phi = 1.21767914788 TCL: Center of mass = 59.8530366165 -1.56221041167 -3.69331343318 TCL: atom 1: phi = 1.2169147928 TCL: Center of mass = 59.8560402049 -1.56206848824 -3.69346992804 TCL: atom 1: phi = 1.21637971616 TCL: Center of mass = 59.8590483876 -1.56192403257 -3.69362707958 TCL: atom 1: phi = 1.21531205806 TCL: Center of mass = 59.8620603011 -1.56177932009 -3.69378996024 TCL: atom 1: phi = 1.21434803356 TCL: Center of mass = 59.8650824031 -1.56163733309 -3.69395181352 TCL: atom 1: phi = 1.21288438273 TCL: Center of mass = 59.86811139 -1.56148931454 -3.69411519475 TCL: atom 1: phi = 1.21159696926 TCL: Center of mass = 59.8711328461 -1.56136311638 -3.69429539149 TCL: atom 1: phi = 1.20995763759 TCL: Center of mass = 59.8741603679 -1.56123169987 -3.69446820363 TCL: atom 1: phi = 1.20859790958 TCL: Center of mass = 59.8771865545 -1.56110109691 -3.69462320459 TCL: atom 1: phi = 1.20699854829 TCL: Center of mass = 59.8802124637 -1.56097957581 -3.6947807642 TCL: atom 1: phi = 1.20567803779 TCL: Center of mass = 59.8832450902 -1.56085450216 -3.69493580872 TCL: atom 1: phi = 1.20416885775 TCL: Center of mass = 59.8862813649 -1.56072972492 -3.6950942086 TCL: atom 1: phi = 1.20290466862 TCL: Center of mass = 59.8893267343 -1.56061129567 -3.69525721389 TCL: atom 1: phi = 1.20146341276 TCL: Center of mass = 59.8923749188 -1.56049545556 -3.69541006955 TCL: atom 1: phi = 1.20025741018 TCL: Center of mass = 59.8954130875 -1.56036088951 -3.69555663598 TCL: atom 1: phi = 1.19894362807 TCL: Center of mass = 59.8984446722 -1.5602300761 -3.69569744563 TCL: atom 1: phi = 1.19798438991 TCL: Center of mass = 59.9014683616 -1.56009161128 -3.69584334947 TCL: atom 1: phi = 1.19704663084 TCL: Center of mass = 59.9044899612 -1.55995575572 -3.69598776358 TCL: atom 1: phi = 1.19649884997 TCL: Center of mass = 59.9075126854 -1.55982506373 -3.69612442358 TCL: atom 1: phi = 1.19608002046 TCL: Center of mass = 59.9105472319 -1.5596896009 -3.69627373276 TCL: atom 1: phi = 1.19603219327 TCL: Center of mass = 59.9135770223 -1.55955555471 -3.69642768677 TCL: atom 1: phi = 1.19598682855 TCL: Center of mass = 59.9166107367 -1.55941935925 -3.69658306952 TCL: atom 1: phi = 1.19613239698 TCL: Center of mass = 59.9196462409 -1.55929472143 -3.69672858183 TCL: atom 1: phi = 1.19606273135 TCL: Center of mass = 59.9226908499 -1.55916919411 -3.69688377065 TCL: atom 1: phi = 1.19608641086 TCL: Center of mass = 59.9257354833 -1.55904254495 -3.69703584371 TCL: atom 1: phi = 1.19588704624 TCL: Center of mass = 59.928776434 -1.55892224103 -3.69717697325 TCL: atom 1: phi = 1.19575474273 TCL: Center of mass = 59.9318274066 -1.55880468185 -3.69731887427 TCL: atom 1: phi = 1.19546882304 TCL: Center of mass = 59.9348730902 -1.55868775185 -3.69746903193 TCL: atom 1: phi = 1.19535776472 TCL: Center of mass = 59.9379159684 -1.5585756314 -3.69762218093 TCL: atom 1: phi = 1.19512209326 TCL: Center of mass = 59.9409632846 -1.55846356378 -3.69777910024 TCL: atom 1: phi = 1.19508265211 TCL: Center of mass = 59.944017652 -1.55835468732 -3.69792044598 TCL: atom 1: phi = 1.19487070794 TCL: Center of mass = 59.9470713575 -1.55824288666 -3.6980531865 TCL: atom 1: phi = 1.19478781285 TCL: Center of mass = 59.9501105539 -1.55812591092 -3.69818537873 TCL: atom 1: phi = 1.19455685075 TCL: Center of mass = 59.9531422569 -1.55800872441 -3.69830093748 TCL: atom 1: phi = 1.19450361417 TCL: Center of mass = 59.956184324 -1.55788729628 -3.69841173069 TCL: atom 1: phi = 1.19427034581 TCL: Center of mass = 59.9592285088 -1.55776125419 -3.69851287369 TCL: atom 1: phi = 1.1942830945 TCL: Center of mass = 59.9622687551 -1.55764419582 -3.69861753191 TCL: atom 1: phi = 1.19427947639 TCL: Center of mass = 59.9653084153 -1.55752288533 -3.69871198309 TCL: atom 1: phi = 1.19464192101 TCL: Center of mass = 59.9683365072 -1.55739690592 -3.69880433295 TCL: atom 1: phi = 1.19505879933 TCL: Center of mass = 59.971362717 -1.55726441977 -3.69890709978 TCL: atom 1: phi = 1.19577666636 TCL: Center of mass = 59.9743906921 -1.55713088056 -3.69900805743 TCL: atom 1: phi = 1.19640027888 TCL: Center of mass = 59.9774133839 -1.55698083323 -3.69910984187 TCL: atom 1: phi = 1.19718355561 TCL: Center of mass = 59.9804234251 -1.55684184172 -3.6992127465 TCL: atom 1: phi = 1.19778882198 TCL: Center of mass = 59.9834356911 -1.55671272539 -3.6993275595 TCL: atom 1: phi = 1.19856754483 TCL: Center of mass = 59.9864475535 -1.55656959611 -3.69944219104 TCL: atom 1: phi = 1.19900436712 TCL: Center of mass = 59.9894586015 -1.55643639407 -3.69955301772 TCL: atom 1: phi = 1.19954196242 TCL: Center of mass = 59.9924487907 -1.55630342506 -3.69965282374 TCL: atom 1: phi = 1.19980517376 TCL: Center of mass = 59.995440569 -1.55616372708 -3.69976313864 TCL: atom 1: phi = 1.20023468982 TCL: Center of mass = 59.9984419184 -1.55602103373 -3.69987410809 TCL: atom 1: phi = 1.20039146376 TCL: Center of mass = 60.0014437769 -1.55588893989 -3.69997469945 TCL: atom 1: phi = 1.20076724301 TCL: Center of mass = 60.0044477877 -1.55576815152 -3.70007178731 TCL: atom 1: phi = 1.20096889388 TCL: Center of mass = 60.0074441557 -1.55564153358 -3.70016514182 TCL: atom 1: phi = 1.20147135933 TCL: Center of mass = 60.0104454514 -1.55550645051 -3.70025984629 TCL: atom 1: phi = 1.20175128416 TCL: Center of mass = 60.0134511435 -1.55535789982 -3.70035883935 TCL: atom 1: phi = 1.20227123137 TCL: Center of mass = 60.0164649297 -1.55519904387 -3.70046166995 TCL: atom 1: phi = 1.20251276683 TCL: Center of mass = 60.0194718397 -1.55504857066 -3.70056888555 TCL: atom 1: phi = 1.20305479902 TCL: Center of mass = 60.0224755711 -1.55488802678 -3.70068569164 TCL: atom 1: phi = 1.20342765527 TCL: Center of mass = 60.0254767205 -1.5547273802 -3.70079467453 TCL: atom 1: phi = 1.2042127524 TCL: Center of mass = 60.0284754596 -1.55457605559 -3.70089548694 TCL: atom 1: phi = 1.20479213427 TCL: Center of mass = 60.0314886414 -1.55443277708 -3.70100173994 TCL: atom 1: phi = 1.20571806986 TCL: Center of mass = 60.0345027742 -1.55429139049 -3.70110852989 TCL: atom 1: phi = 1.20638915933 TCL: Center of mass = 60.0375282645 -1.5541481364 -3.70122701284 TCL: atom 1: phi = 1.20731329469 TCL: Center of mass = 60.0405590261 -1.55401059941 -3.70134888563 TCL: atom 1: phi = 1.2077738048 TCL: Center of mass = 60.043596592 -1.5538722256 -3.70147593772 TCL: atom 1: phi = 1.20833903879 TCL: Center of mass = 60.0466306821 -1.55374438026 -3.7016019679 TCL: atom 1: phi = 1.20827165876 TCL: Center of mass = 60.049650158 -1.55361987516 -3.70173323919 TCL: atom 1: phi = 1.2082339849 TCL: Center of mass = 60.0526708011 -1.55349407341 -3.70187743798 TCL: atom 1: phi = 1.2075877583 TCL: Center of mass = 60.0556855962 -1.5533718218 -3.70202082789 TCL: atom 1: phi = 1.20702781674 TCL: Center of mass = 60.0587020941 -1.55325789872 -3.70215079341 TCL: atom 1: phi = 1.20595587743 TCL: Center of mass = 60.0617196335 -1.55314242455 -3.70228065755 TCL: atom 1: phi = 1.20511085466 TIMING: 19800 CPU: 3403.45, 0.172824/step Wall: 4161.02, 0.211692/step, 0.0117606 hours remaining, 22108 kB of memory in use. ENERGY: 19800 407.0445 697.0902 403.3115 44.5377 -2778.3433 -209.7293 0.0000 0.0000 1133.9139 -302.1749 309.0233 -293.2091 -294.0483 311.4687 1197.6093 1200.8201 64000.0000 1285.9127 1288.9804 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19800 WRITING COORDINATES TO DCD FILE AT STEP 19800 WRITING COORDINATES TO RESTART FILE AT STEP 19800 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19800 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 60.0647365012 -1.55302671307 -3.7024119834 TCL: atom 1: phi = 1.20389443966 TCL: Center of mass = 60.0677498429 -1.55290013451 -3.70255026583 TCL: atom 1: phi = 1.20292368874 TCL: Center of mass = 60.070778429 -1.55277748727 -3.70268099116 TCL: atom 1: phi = 1.20159115565 TCL: Center of mass = 60.0738147976 -1.55265340825 -3.70281494183 TCL: atom 1: phi = 1.20060596411 TCL: Center of mass = 60.0768583729 -1.55252118905 -3.70295649071 TCL: atom 1: phi = 1.19937982065 TCL: Center of mass = 60.0799151059 -1.55239355962 -3.70309912803 TCL: atom 1: phi = 1.19854960911 TCL: Center of mass = 60.0829742787 -1.55226016515 -3.70325322489 TCL: atom 1: phi = 1.19758090575 TCL: Center of mass = 60.0860396533 -1.55212830584 -3.70340402912 TCL: atom 1: phi = 1.19703985793 TCL: Center of mass = 60.0891066588 -1.55199569712 -3.70355248885 TCL: atom 1: phi = 1.19641454079 TCL: Center of mass = 60.0921819373 -1.55185502466 -3.70369801 TCL: atom 1: phi = 1.19621622501 TCL: Center of mass = 60.0952554151 -1.55170737579 -3.7038377077 TCL: atom 1: phi = 1.19590382881 TCL: Center of mass = 60.0983293667 -1.55156151638 -3.70397124105 TCL: atom 1: phi = 1.19597038942 TCL: Center of mass = 60.1014056218 -1.5514012703 -3.70410507007 TCL: atom 1: phi = 1.19583697822 TCL: Center of mass = 60.1044878285 -1.55123244619 -3.70424257566 TCL: atom 1: phi = 1.19587512678 TCL: Center of mass = 60.1075670489 -1.55105836247 -3.70435866444 TCL: atom 1: phi = 1.19567507686 TCL: Center of mass = 60.1106459231 -1.55088681112 -3.70447773246 TCL: atom 1: phi = 1.19566081262 TCL: Center of mass = 60.1137239763 -1.55071689417 -3.70459416073 TCL: atom 1: phi = 1.19530675327 TCL: Center of mass = 60.1168036871 -1.55054170525 -3.70470559224 TCL: atom 1: phi = 1.19510134712 TCL: Center of mass = 60.1198817161 -1.55036294666 -3.70480332421 TCL: atom 1: phi = 1.19465944871 TCL: Center of mass = 60.122955182 -1.55018232006 -3.70491351239 TCL: atom 1: phi = 1.19449538085 TCL: Center of mass = 60.12603124 -1.55000107472 -3.70503249248 TCL: atom 1: phi = 1.19421892595 TCL: Center of mass = 60.1291082861 -1.54983501799 -3.70515441436 TCL: atom 1: phi = 1.19428530157 TCL: Center of mass = 60.1321849136 -1.54967954071 -3.70527146098 TCL: atom 1: phi = 1.19426271179 TCL: Center of mass = 60.1352473011 -1.54952247613 -3.70538157831 TCL: atom 1: phi = 1.19465236992 TCL: Center of mass = 60.138313999 -1.54936286742 -3.70549559284 TCL: atom 1: phi = 1.19492638339 TCL: Center of mass = 60.1413826264 -1.5491949775 -3.70560102748 TCL: atom 1: phi = 1.1956033179 TCL: Center of mass = 60.1444619854 -1.54902840125 -3.70570819858 TCL: atom 1: phi = 1.19618548905 TCL: Center of mass = 60.1475249286 -1.54886053514 -3.70582828741 TCL: atom 1: phi = 1.19714653577 TCL: Center of mass = 60.1505982732 -1.54868727041 -3.70595570038 TCL: atom 1: phi = 1.19797146065 TCL: Center of mass = 60.1536799764 -1.54850872365 -3.70607264512 TCL: atom 1: phi = 1.19912482051 TCL: Center of mass = 60.1567703965 -1.54832730723 -3.7061811477 TCL: atom 1: phi = 1.20000201088 TCL: Center of mass = 60.1598687126 -1.54814271014 -3.70628279996 TCL: atom 1: phi = 1.20109077242 TCL: Center of mass = 60.1629776383 -1.54795836937 -3.70638209234 TCL: atom 1: phi = 1.20176324364 TCL: Center of mass = 60.166088482 -1.54777359221 -3.70647567712 TCL: atom 1: phi = 1.2025558483 TCL: Center of mass = 60.1692051889 -1.54758748828 -3.7065658279 TCL: atom 1: phi = 1.20283706041 TCL: Center of mass = 60.1723347781 -1.54739328585 -3.70665532647 TCL: atom 1: phi = 1.20316544662 TCL: Center of mass = 60.1754521218 -1.54721065639 -3.70675360018 TCL: atom 1: phi = 1.20294856378 TCL: Center of mass = 60.1785742732 -1.5470223489 -3.70685009839 TCL: atom 1: phi = 1.20283317175 TCL: Center of mass = 60.1817038192 -1.54683666148 -3.70695472169 TCL: atom 1: phi = 1.20227546215 TCL: Center of mass = 60.1848399737 -1.54664685826 -3.70706215595 TCL: atom 1: phi = 1.20189514909 TCL: Center of mass = 60.187974001 -1.5464652432 -3.7071678151 TCL: atom 1: phi = 1.20121675793 TCL: Center of mass = 60.1911038303 -1.54627462615 -3.70728250342 TCL: atom 1: phi = 1.20086455816 TCL: Center of mass = 60.194245331 -1.54608964017 -3.70738765153 TCL: atom 1: phi = 1.20031016567 TCL: Center of mass = 60.1973735685 -1.54590875815 -3.70748737 TCL: atom 1: phi = 1.20015656014 TCL: Center of mass = 60.2004967701 -1.54573741746 -3.70758651814 TCL: atom 1: phi = 1.19987528119 TCL: Center of mass = 60.2036244633 -1.54557537452 -3.70767921858 TCL: atom 1: phi = 1.20002658726 TCL: Center of mass = 60.2067631953 -1.54541246187 -3.70777551586 TCL: atom 1: phi = 1.20004294494 TCL: Center of mass = 60.2098960029 -1.54524531514 -3.70787432505 TCL: atom 1: phi = 1.2004556302 TCL: Center of mass = 60.2130218314 -1.54508063375 -3.70797860959 TCL: atom 1: phi = 1.2007003254 TCL: Center of mass = 60.2161572157 -1.54491773366 -3.70808754829 TCL: atom 1: phi = 1.20133807452 TCL: Center of mass = 60.2192850311 -1.54475741464 -3.70819226979 TCL: atom 1: phi = 1.20184320633 TCL: Center of mass = 60.2223954771 -1.5445930424 -3.7082859653 TCL: atom 1: phi = 1.20272689847 TCL: Center of mass = 60.2255046126 -1.54442007427 -3.70837905295 TCL: atom 1: phi = 1.20335515103 TCL: Center of mass = 60.2286151031 -1.54423862225 -3.70846755708 TCL: atom 1: phi = 1.20429744807 TCL: Center of mass = 60.2317263954 -1.544053263 -3.7085544005 TCL: atom 1: phi = 1.20496679674 TCL: Center of mass = 60.2348391205 -1.54387949887 -3.70862988152 TCL: atom 1: phi = 1.20584951211 TCL: Center of mass = 60.2379618809 -1.54370844729 -3.70869775808 TCL: atom 1: phi = 1.20625445588 TCL: Center of mass = 60.2410950195 -1.54352609045 -3.70876285012 TCL: atom 1: phi = 1.20670095259 TCL: Center of mass = 60.2442311655 -1.54333676161 -3.70883197931 TCL: atom 1: phi = 1.20664139292 TCL: Center of mass = 60.2473626122 -1.54315541507 -3.70888984541 TCL: atom 1: phi = 1.20667467834 TCL: Center of mass = 60.2505005134 -1.54296167628 -3.70893838822 TCL: atom 1: phi = 1.20633968185 TCL: Center of mass = 60.25364476 -1.54277295901 -3.70899648952 TCL: atom 1: phi = 1.20621456506 TCL: Center of mass = 60.2567899795 -1.54258634184 -3.70905457446 TCL: atom 1: phi = 1.20588764384 TCL: Center of mass = 60.2599295365 -1.54239805565 -3.70911560523 TCL: atom 1: phi = 1.2058986703 TCL: Center of mass = 60.2630732828 -1.54221000823 -3.70918109792 TCL: atom 1: phi = 1.20574568159 TCL: Center of mass = 60.266233623 -1.54200782185 -3.70925823098 TCL: atom 1: phi = 1.20592998308 TCL: Center of mass = 60.269402952 -1.54181679552 -3.70933322831 TCL: atom 1: phi = 1.20589227961 TCL: Center of mass = 60.2725716859 -1.5416250048 -3.70941406354 TCL: atom 1: phi = 1.20613244984 TCL: Center of mass = 60.2757457815 -1.54143297391 -3.70948351353 TCL: atom 1: phi = 1.20611566849 TCL: Center of mass = 60.2789309345 -1.54123032348 -3.70956818132 TCL: atom 1: phi = 1.20636297551 TCL: Center of mass = 60.2821247576 -1.54102895377 -3.70965653204 TCL: atom 1: phi = 1.2063108833 TCL: Center of mass = 60.2853260836 -1.54082060598 -3.70974155129 TCL: atom 1: phi = 1.20651454727 TCL: Center of mass = 60.2885308421 -1.54061285195 -3.70983117018 TCL: atom 1: phi = 1.20644492335 TCL: Center of mass = 60.2917349206 -1.54040537484 -3.70991601955 TCL: atom 1: phi = 1.2065557285 TCL: Center of mass = 60.2949253081 -1.54021672485 -3.71000903441 TCL: atom 1: phi = 1.20631504574 TCL: Center of mass = 60.2981112892 -1.54004186688 -3.71010140264 TCL: atom 1: phi = 1.20618532125 TCL: Center of mass = 60.3013006796 -1.53987187444 -3.71020078466 TCL: atom 1: phi = 1.20560510725 TCL: Center of mass = 60.3044855018 -1.5396965775 -3.71030226127 TCL: atom 1: phi = 1.20507790975 TCL: Center of mass = 60.3076611761 -1.53952871528 -3.71040744155 TCL: atom 1: phi = 1.20413230504 TCL: Center of mass = 60.3108369266 -1.53935160178 -3.71051855849 TCL: atom 1: phi = 1.20323523833 TCL: Center of mass = 60.314014191 -1.53918001384 -3.71062908559 TCL: atom 1: phi = 1.20201584108 TCL: Center of mass = 60.3171966265 -1.53901244539 -3.71073953049 TCL: atom 1: phi = 1.20091343469 TCL: Center of mass = 60.3203824563 -1.53885249304 -3.71083691594 TCL: atom 1: phi = 1.19968003998 TCL: Center of mass = 60.3235562075 -1.53869018401 -3.71093465898 TCL: atom 1: phi = 1.19872812496 TCL: Center of mass = 60.3267350558 -1.53851787977 -3.71102530107 TCL: atom 1: phi = 1.19772884741 TCL: Center of mass = 60.3299126402 -1.53834784875 -3.71111269795 TCL: atom 1: phi = 1.19709818396 TCL: Center of mass = 60.3330880425 -1.53817612533 -3.71118795802 TCL: atom 1: phi = 1.19641200574 TCL: Center of mass = 60.3362636481 -1.53800599781 -3.71126857537 TCL: atom 1: phi = 1.19604554382 TCL: Center of mass = 60.3394328931 -1.53782779553 -3.71135016931 TCL: atom 1: phi = 1.19562031058 TCL: Center of mass = 60.3426058505 -1.53764199824 -3.71142766944 TCL: atom 1: phi = 1.19540981775 TCL: Center of mass = 60.3457830005 -1.53746213129 -3.71150620513 TCL: atom 1: phi = 1.1951128937 TCL: Center of mass = 60.3489577454 -1.53727687107 -3.71157070636 TCL: atom 1: phi = 1.19506901292 TCL: Center of mass = 60.3521237975 -1.53708906087 -3.71163486227 TCL: atom 1: phi = 1.19494065197 TCL: Center of mass = 60.3552909212 -1.53690059343 -3.71169747451 TCL: atom 1: phi = 1.19504544539 TCL: Center of mass = 60.3584656532 -1.53671683231 -3.71174962296 TCL: atom 1: phi = 1.19506040317 TCL: Center of mass = 60.3616339101 -1.53653490511 -3.71179308828 TCL: atom 1: phi = 1.19520583094 TCL: Center of mass = 60.3647976941 -1.53636205001 -3.71183929279 TCL: atom 1: phi = 1.19512237802 TCL: Center of mass = 60.3679745134 -1.5361877983 -3.71188393267 TCL: atom 1: phi = 1.19514383706 TCL: Center of mass = 60.3711578318 -1.53601211608 -3.71190756315 TCL: atom 1: phi = 1.19491298383 TCL: Center of mass = 60.3743398724 -1.53583446397 -3.71192960915 TCL: atom 1: phi = 1.19481555318 TIMING: 19900 CPU: 3420.73, 0.172764/step Wall: 4182.18, 0.211666/step, 0.00587961 hours remaining, 22108 kB of memory in use. ENERGY: 19900 377.3004 663.6894 409.9553 46.5400 -2765.0328 -212.1431 0.0000 0.0000 1174.6083 -305.0826 320.1136 -296.6678 -295.6659 315.7100 1836.5704 1610.4659 64000.0000 1520.0116 1520.1689 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 19900 WRITING COORDINATES TO DCD FILE AT STEP 19900 WRITING COORDINATES TO RESTART FILE AT STEP 19900 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 19900 FINISHED WRITING RESTART VELOCITIES TCL: Center of mass = 60.3775277084 -1.53565165077 -3.71195064309 TCL: atom 1: phi = 1.1945372911 TCL: Center of mass = 60.3807218132 -1.53546430251 -3.71197307958 TCL: atom 1: phi = 1.19441988117 TCL: Center of mass = 60.383902795 -1.53527273851 -3.71199352337 TCL: atom 1: phi = 1.19429495018 TCL: Center of mass = 60.3870943157 -1.53508920166 -3.71203032263 TCL: atom 1: phi = 1.19453437694 TCL: Center of mass = 60.3902802485 -1.53490140945 -3.71206770808 TCL: atom 1: phi = 1.19486784618 TCL: Center of mass = 60.3934694979 -1.53470903463 -3.71210548316 TCL: atom 1: phi = 1.19562016185 TCL: Center of mass = 60.3966577095 -1.53451967926 -3.71215445218 TCL: atom 1: phi = 1.19643600996 TCL: Center of mass = 60.3998317875 -1.53433723211 -3.71220040399 TCL: atom 1: phi = 1.19758368252 TCL: Center of mass = 60.4030037597 -1.53414985209 -3.71224931374 TCL: atom 1: phi = 1.19864877356 TCL: Center of mass = 60.4061801269 -1.53397107354 -3.71229988665 TCL: atom 1: phi = 1.19991713942 TCL: Center of mass = 60.4093556402 -1.53378418492 -3.71233914871 TCL: atom 1: phi = 1.2009808848 TCL: Center of mass = 60.4125314023 -1.5335882644 -3.71238917975 TCL: atom 1: phi = 1.20225330771 TCL: Center of mass = 60.4157214216 -1.53339041319 -3.71243305348 TCL: atom 1: phi = 1.20332361978 TCL: Center of mass = 60.4189070332 -1.53320022053 -3.7124840598 TCL: atom 1: phi = 1.20457354852 TCL: Center of mass = 60.422083755 -1.53301470397 -3.71253256232 TCL: atom 1: phi = 1.20552216315 TCL: Center of mass = 60.4252759908 -1.53282714314 -3.712576804 TCL: atom 1: phi = 1.2065736368 TCL: Center of mass = 60.4284766051 -1.53265129039 -3.71261490682 TCL: atom 1: phi = 1.20724822916 TCL: Center of mass = 60.4316758746 -1.53248143368 -3.7126643829 TCL: atom 1: phi = 1.20789370954 TCL: Center of mass = 60.4348810451 -1.53231063273 -3.71272569535 TCL: atom 1: phi = 1.20804759351 TCL: Center of mass = 60.4380732868 -1.53213995615 -3.71278745697 TCL: atom 1: phi = 1.20812111261 TCL: Center of mass = 60.4412622169 -1.5319672257 -3.71285440035 TCL: atom 1: phi = 1.20771708385 TCL: Center of mass = 60.4444474746 -1.53179695672 -3.71292927494 TCL: atom 1: phi = 1.20735406599 TCL: Center of mass = 60.4476370272 -1.53162711919 -3.71300497447 TCL: atom 1: phi = 1.2066870965 TCL: Center of mass = 60.4508308254 -1.53145950025 -3.71308464965 TCL: atom 1: phi = 1.20619761858 TCL: Center of mass = 60.454011167 -1.53127811424 -3.71315621606 TCL: atom 1: phi = 1.20557018752 TCL: Center of mass = 60.4571943964 -1.53109313426 -3.71322468502 TCL: atom 1: phi = 1.20527785542 TCL: Center of mass = 60.4603710199 -1.53090945396 -3.71329387037 TCL: atom 1: phi = 1.20486206601 TCL: Center of mass = 60.46354493 -1.5307187658 -3.71335452041 TCL: atom 1: phi = 1.20472699133 TCL: Center of mass = 60.4667355141 -1.53051228963 -3.713415212 TCL: atom 1: phi = 1.20444431707 TCL: Center of mass = 60.4699139028 -1.53030313899 -3.71347370097 TCL: atom 1: phi = 1.20436992336 TCL: Center of mass = 60.4730939822 -1.53010003145 -3.7135226369 TCL: atom 1: phi = 1.20412549568 TCL: Center of mass = 60.4762777083 -1.52989206071 -3.71355786274 TCL: atom 1: phi = 1.20411865777 TCL: Center of mass = 60.4794634947 -1.52969807782 -3.7135912265 TCL: atom 1: phi = 1.20391499738 TCL: Center of mass = 60.4826520967 -1.52948984304 -3.71362449465 TCL: atom 1: phi = 1.20397914878 TCL: Center of mass = 60.4858466588 -1.52926961244 -3.71364918666 TCL: atom 1: phi = 1.20397714143 TCL: Center of mass = 60.4890466407 -1.5290513845 -3.71369310529 TCL: atom 1: phi = 1.20427617638 TCL: Center of mass = 60.4922480472 -1.52882072234 -3.71373746046 TCL: atom 1: phi = 1.20439856046 TCL: Center of mass = 60.49545041 -1.5285828139 -3.71377417321 TCL: atom 1: phi = 1.20475527702 TCL: Center of mass = 60.4986453492 -1.52835142484 -3.71380886562 TCL: atom 1: phi = 1.20485148099 TCL: Center of mass = 60.501846613 -1.5281242905 -3.71385325546 TCL: atom 1: phi = 1.20513249454 TCL: Center of mass = 60.5050466691 -1.52788783058 -3.71389803666 TCL: atom 1: phi = 1.20515315102 TCL: Center of mass = 60.5082508092 -1.52765958681 -3.71393497628 TCL: atom 1: phi = 1.20537859711 TCL: Center of mass = 60.5114472999 -1.52742623814 -3.71397764362 TCL: atom 1: phi = 1.20535019028 TCL: Center of mass = 60.5146384427 -1.52720214423 -3.71403217058 TCL: atom 1: phi = 1.20563351633 TCL: Center of mass = 60.5178354299 -1.5269741879 -3.71409668621 TCL: atom 1: phi = 1.20583749614 TCL: Center of mass = 60.5210421758 -1.52675828611 -3.71415867545 TCL: atom 1: phi = 1.20645171074 TCL: Center of mass = 60.5242461144 -1.52653717815 -3.7142181335 TCL: atom 1: phi = 1.20700936343 TCL: Center of mass = 60.5274423879 -1.52630773294 -3.71427741404 TCL: atom 1: phi = 1.20787072075 TCL: Center of mass = 60.5306477928 -1.52608228071 -3.71434120949 TCL: atom 1: phi = 1.20852611029 TCL: Center of mass = 60.533851314 -1.52586000917 -3.71438798037 TCL: atom 1: phi = 1.20938924498 TCL: Center of mass = 60.5370506054 -1.52563819941 -3.71445401791 TCL: atom 1: phi = 1.20989319363 TCL: Center of mass = 60.540240891 -1.525411211 -3.714517981 TCL: atom 1: phi = 1.21046863441 TCL: Center of mass = 60.5434457918 -1.52517814766 -3.71457202874 TCL: atom 1: phi = 1.21063825625 TCL: Center of mass = 60.5466515306 -1.5249449434 -3.71462093366 TCL: atom 1: phi = 1.21097239085 TCL: Center of mass = 60.5498630155 -1.52472526557 -3.71465837731 TCL: atom 1: phi = 1.21097090221 TCL: Center of mass = 60.5530894691 -1.52451583228 -3.71468836937 TCL: atom 1: phi = 1.21114216645 TCL: Center of mass = 60.5563223841 -1.52431043885 -3.7147160464 TCL: atom 1: phi = 1.21094827053 TCL: Center of mass = 60.5595713563 -1.52411215468 -3.71475145108 TCL: atom 1: phi = 1.21090734918 TCL: Center of mass = 60.5628199421 -1.52391851695 -3.71479532865 TCL: atom 1: phi = 1.21047712884 TCL: Center of mass = 60.5660657696 -1.52371830006 -3.71483848087 TCL: atom 1: phi = 1.21010984325 TCL: Center of mass = 60.5693066914 -1.52352353846 -3.71488825419 TCL: atom 1: phi = 1.20931370441 TCL: Center of mass = 60.5725351902 -1.52334381711 -3.71494454716 TCL: atom 1: phi = 1.20863091304 TCL: Center of mass = 60.575765331 -1.52315856948 -3.715011789 TCL: atom 1: phi = 1.20764492355 TCL: Center of mass = 60.5789928361 -1.52297337651 -3.71507526256 TCL: atom 1: phi = 1.20699335135 TCL: Center of mass = 60.5822224832 -1.52279404036 -3.71514137022 TCL: atom 1: phi = 1.20627950177 TCL: Center of mass = 60.5854590609 -1.5226129923 -3.71521170201 TCL: atom 1: phi = 1.20600989575 TCL: Center of mass = 60.5886852555 -1.5224274779 -3.71528461461 TCL: atom 1: phi = 1.20579058529 TCL: Center of mass = 60.5919057257 -1.5222332915 -3.7153588497 TCL: atom 1: phi = 1.20597475731 TCL: Center of mass = 60.5951304438 -1.52202907572 -3.71543608579 TCL: atom 1: phi = 1.20603983239 TCL: Center of mass = 60.598358052 -1.52183068105 -3.7155006912 TCL: atom 1: phi = 1.20636142553 TCL: Center of mass = 60.6015889138 -1.52163112138 -3.71556629373 TCL: atom 1: phi = 1.2064727724 TCL: Center of mass = 60.604811994 -1.52143880406 -3.71563354814 TCL: atom 1: phi = 1.20677582289 TCL: Center of mass = 60.6080329288 -1.52125016014 -3.7156944337 TCL: atom 1: phi = 1.20681812379 TCL: Center of mass = 60.611255806 -1.52106643292 -3.71575731194 TCL: atom 1: phi = 1.2070043088 TCL: Center of mass = 60.6144801602 -1.52086770866 -3.71582342686 TCL: atom 1: phi = 1.20695019406 TCL: Center of mass = 60.6177032298 -1.52066315472 -3.7158719057 TCL: atom 1: phi = 1.20712481662 TCL: Center of mass = 60.6209261703 -1.52045122914 -3.7159209061 TCL: atom 1: phi = 1.20717555745 TCL: Center of mass = 60.6241512681 -1.52024508611 -3.71596256433 TCL: atom 1: phi = 1.20752501341 TCL: Center of mass = 60.6273657543 -1.52003815321 -3.71600747303 TCL: atom 1: phi = 1.20770161422 TCL: Center of mass = 60.6305608864 -1.51982301424 -3.7160479893 TCL: atom 1: phi = 1.20805182664 TCL: Center of mass = 60.6337510047 -1.51960382282 -3.71609163178 TCL: atom 1: phi = 1.20811660559 TCL: Center of mass = 60.6369406983 -1.51940126523 -3.71614187732 TCL: atom 1: phi = 1.20831291134 TCL: Center of mass = 60.6401223848 -1.5191981852 -3.71617823952 TCL: atom 1: phi = 1.20824070282 TCL: Center of mass = 60.6432976686 -1.51899159434 -3.71623142755 TCL: atom 1: phi = 1.20844009731 TCL: Center of mass = 60.646468618 -1.5187718974 -3.71628352383 TCL: atom 1: phi = 1.20854076191 TCL: Center of mass = 60.6496514529 -1.51854469281 -3.71633841558 TCL: atom 1: phi = 1.20899951283 TCL: Center of mass = 60.6528387786 -1.51832335254 -3.71639795241 TCL: atom 1: phi = 1.20944728925 TCL: Center of mass = 60.6560222912 -1.51810511659 -3.71646401919 TCL: atom 1: phi = 1.21029804893 TCL: Center of mass = 60.659200275 -1.51787343264 -3.71652479382 TCL: atom 1: phi = 1.2110364762 TCL: Center of mass = 60.6623833765 -1.51763130902 -3.71658864735 TCL: atom 1: phi = 1.21199649503 TCL: Center of mass = 60.6655712235 -1.51738776594 -3.71667344725 TCL: atom 1: phi = 1.21274116433 TCL: Center of mass = 60.6687606534 -1.5171365682 -3.71675470802 TCL: atom 1: phi = 1.21354800246 TCL: Center of mass = 60.67193595 -1.51688926992 -3.71683982675 TCL: atom 1: phi = 1.21392403535 TCL: Center of mass = 60.6751038986 -1.51663023707 -3.71693009198 TCL: atom 1: phi = 1.21439439576 TCL: Center of mass = 60.6782661284 -1.51637194995 -3.71702680803 TCL: atom 1: phi = 1.21454749373 TCL: Center of mass = 60.681422687 -1.51610849002 -3.7171239815 TCL: atom 1: phi = 1.21485988152 TCL: Center of mass = 60.6845754311 -1.51584222995 -3.71721092434 TCL: atom 1: phi = 1.21493592442 TCL: Center of mass = 60.6877275978 -1.51557858705 -3.7172949545 TCL: atom 1: phi = 1.21526127817 TCL: Center of mass = 60.690885183 -1.51532636741 -3.7173908739 TCL: atom 1: phi = 1.2152911538 TCL: Center of mass = 60.6940451449 -1.5150904111 -3.71748461464 TCL: atom 1: phi = 1.21548000999 TIMING: 20000 CPU: 3438.07, 0.173444/step Wall: 4203.33, 0.211528/step, 0 hours remaining, 21606 kB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 20000 406.2542 656.2026 427.5960 51.3646 -2788.5241 -198.9473 0.0000 0.0000 1123.6854 -322.3687 306.2357 -313.5663 -313.7651 312.0431 1778.3622 1728.7284 64000.0000 1489.8529 1485.7728 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 20000 WRITING COORDINATES TO DCD FILE AT STEP 20000 WRITING COORDINATES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 20000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 20000 CLOSING COORDINATE DCD FILE WRITING VELOCITIES TO OUTPUT FILE AT STEP 20000 ========================================== WallClock: 4203.626465 CPUTime: 3438.222412 Memory: 21340 kB Program finished.