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-sun1.physics.uiuc.edu david Info: Running on 1 processors. Info: 8547 kB of memory in use. Info: Configuration file is push-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 push-new.dcd Info: DCD FREQUENCY 100 Info: DCD FIRST STEP 100 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME push-new.xst Info: XST FREQUENCY 100 Info: NO VELOCITY DCD OUTPUT Info: OUTPUT FILENAME push-new Info: BINARY OUTPUT FILES WILL BE USED Info: RESTART FILENAME push-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 push-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 1163564612 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 9497 kB of memory in use. Info: Entering startup phase 2 with 9846 kB of memory in use. Info: Entering startup phase 3 with 9855 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 10010 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: Linear acceleration applied: (3 0 0) Ang*ps^-2 Info: Entering startup phase 8 with 11697 kB of memory in use. Info: Finished startup with 11953 kB of memory in use. TCL: Center of mass = -0.666914525229 0.355205722306 -0.99339980022 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 = -0.666913025896 0.355205719979 -0.993399802395 TCL: Center of mass = -0.666913214582 0.355213329716 -0.993407661313 TCL: Center of mass = -0.666913295046 0.355215796357 -0.993427255078 TCL: Center of mass = -0.666912408117 0.355221514993 -0.993436750897 TCL: Center of mass = -0.666895357438 0.355220748818 -0.993441530939 TCL: Center of mass = -0.666868360302 0.355231293451 -0.993447082362 TCL: Center of mass = -0.666836884401 0.355256307399 -0.993462721007 TCL: Center of mass = -0.666787512892 0.355277044906 -0.99348588589 TCL: Center of mass = -0.666722233513 0.355301169376 -0.993505564616 TCL: Center of mass = -0.666653881961 0.355324177529 -0.993532136693 TCL: Center of mass = -0.666583232413 0.355347278304 -0.993552887061 TCL: Center of mass = -0.666505133362 0.355385599703 -0.993570311628 TCL: Center of mass = -0.666421387529 0.355429339943 -0.993589520727 TCL: Center of mass = -0.666332681619 0.355475200552 -0.993610015592 TCL: Center of mass = -0.666239416067 0.355519944739 -0.993640365799 TCL: Center of mass = -0.666135868312 0.355566676336 -0.993673537835 TCL: Center of mass = -0.666024662042 0.355622165446 -0.993704408965 TCL: Center of mass = -0.665910059989 0.355683149583 -0.993745374963 TCL: Center of mass = -0.665795697632 0.355749866414 -0.9937824113 TCL: Center of mass = -0.665672053704 0.355821437899 -0.993817220817 TCL: Center of mass = -0.665532355481 0.35589802813 -0.993853314647 TCL: Center of mass = -0.6653944962 0.355970481027 -0.993883622153 TCL: Center of mass = -0.665250348795 0.356041216397 -0.993910738056 TCL: Center of mass = -0.665103871512 0.356109351775 -0.993934867006 TCL: Center of mass = -0.664955540618 0.356186512667 -0.993968030316 TCL: Center of mass = -0.664790088176 0.356275593192 -0.993992592633 TCL: Center of mass = -0.664618712386 0.356362364914 -0.994003454579 TCL: Center of mass = -0.664441879114 0.356440949074 -0.994012399408 TCL: Center of mass = -0.664271409595 0.356531336072 -0.994008962318 TCL: Center of mass = -0.66409375217 0.356615319387 -0.994002726534 TCL: Center of mass = -0.663907759454 0.356708968671 -0.994003201348 TCL: Center of mass = -0.663711216099 0.35680506161 -0.994006251534 TCL: Center of mass = -0.663509859966 0.356898655011 -0.993994309766 TCL: Center of mass = -0.663305588574 0.357003643031 -0.993982075925 TCL: Center of mass = -0.663097726655 0.357112021393 -0.993965028535 TCL: Center of mass = -0.662874452672 0.357208119104 -0.993947576656 TCL: Center of mass = -0.662643381886 0.357301590988 -0.993931713236 TCL: Center of mass = -0.662404710811 0.357406858569 -0.993911179434 TCL: Center of mass = -0.662171930149 0.357517008207 -0.993893375993 TCL: Center of mass = -0.661934578052 0.357624968988 -0.993886477621 TCL: Center of mass = -0.661682845599 0.357737693392 -0.993878448478 TCL: Center of mass = -0.661418938851 0.357849296706 -0.993872582799 TCL: Center of mass = -0.661154564009 0.357974076956 -0.993877064372 TCL: Center of mass = -0.660890973525 0.358098113086 -0.99388376434 TCL: Center of mass = -0.660621325844 0.358223595874 -0.993889500764 TCL: Center of mass = -0.6603343102 0.3583542972 -0.993908640757 TCL: Center of mass = -0.660054580638 0.358480113882 -0.993924624634 TCL: Center of mass = -0.659769285239 0.358596946043 -0.993941964336 TCL: Center of mass = -0.659475731365 0.358706434322 -0.993935306349 TCL: Center of mass = -0.65916712839 0.358809889826 -0.993924602852 TCL: Center of mass = -0.658852820104 0.35893139735 -0.993920217929 TCL: Center of mass = -0.658531402087 0.359051553582 -0.993925275569 TCL: Center of mass = -0.658203066222 0.359173623852 -0.993929671478 TCL: Center of mass = -0.657884360359 0.359299770769 -0.9939434921 TCL: Center of mass = -0.657569391554 0.35941623147 -0.993958273009 TCL: Center of mass = -0.657254164324 0.359527014545 -0.993966828249 TCL: Center of mass = -0.656944720625 0.359649135654 -0.99397887874 TCL: Center of mass = -0.656630823127 0.359767058756 -0.994006730493 TCL: Center of mass = -0.656313506258 0.359882366749 -0.994026086503 TCL: Center of mass = -0.65599635274 0.359982196801 -0.994042886963 TCL: Center of mass = -0.655673107737 0.360078350844 -0.99403843762 TCL: Center of mass = -0.655345087785 0.360166362953 -0.994045304529 TCL: Center of mass = -0.655013876384 0.360259807473 -0.994055612075 TCL: Center of mass = -0.654681403207 0.360355460961 -0.994067314265 TCL: Center of mass = -0.654354603929 0.360458148924 -0.994067338237 TCL: Center of mass = -0.654018593071 0.360567157008 -0.994060205982 TCL: Center of mass = -0.653677917411 0.360690093615 -0.994055882432 TCL: Center of mass = -0.653339630701 0.360810297108 -0.994055164056 TCL: Center of mass = -0.652984313657 0.360933251065 -0.994049803547 TCL: Center of mass = -0.652617358578 0.361060130611 -0.994049548409 TCL: Center of mass = -0.652256802709 0.361185063797 -0.994045565511 TCL: Center of mass = -0.651892166602 0.36129360344 -0.994044774006 TCL: Center of mass = -0.651527999021 0.361392540882 -0.994041279371 TCL: Center of mass = -0.651165428081 0.36149101132 -0.994044196318 TCL: Center of mass = -0.650797760047 0.361586126226 -0.994047926354 TCL: Center of mass = -0.650433363568 0.361685066066 -0.99405709536 TCL: Center of mass = -0.650060644819 0.361787331203 -0.994073883175 TCL: Center of mass = -0.649686126702 0.361892238056 -0.99408320927 TCL: Center of mass = -0.649310826156 0.362005334939 -0.99409025891 TCL: Center of mass = -0.648941101226 0.36211299496 -0.994091271525 TCL: Center of mass = -0.648573772213 0.362223067731 -0.994086875635 TCL: Center of mass = -0.648206059537 0.362333090692 -0.994080820122 TCL: Center of mass = -0.647834200058 0.362434834804 -0.994068521915 TCL: Center of mass = -0.647458707681 0.36254020772 -0.994053296251 TCL: Center of mass = -0.647078719564 0.362648569369 -0.994039989901 TCL: Center of mass = -0.646678108402 0.362765006641 -0.994028874774 TCL: Center of mass = -0.646275690058 0.362877862923 -0.994013554813 TCL: Center of mass = -0.645876582938 0.362992612723 -0.993997684971 TCL: Center of mass = -0.645476301509 0.363107609357 -0.993981370037 TCL: Center of mass = -0.645067828691 0.36322212348 -0.993960642171 TCL: Center of mass = -0.644651583964 0.363333080586 -0.993935511942 TCL: Center of mass = -0.644230924532 0.363451397671 -0.993919170871 TCL: Center of mass = -0.643826934822 0.363565840741 -0.993901741578 TCL: Center of mass = -0.64342671209 0.36367887783 -0.993884388423 TCL: Center of mass = -0.643027286508 0.363792291899 -0.99387590673 TCL: Center of mass = -0.642633926203 0.363898063634 -0.993858828236 TCL: Center of mass = -0.642232836279 0.363999537696 -0.993845859487 TCL: Center of mass = -0.641836002039 0.364106732964 -0.993833494297 TCL: Center of mass = -0.641419711981 0.364218062415 -0.993827400048 TCL: Center of mass = -0.640994064294 0.364319598776 -0.993822417757 Info: Initial time: 1 CPUs 0.100978 s/step 1.16873 days/ns 19873 kB memory TIMING: 100 CPU: 8.82666, 0.0865469/step Wall: 10.2695, 0.100983/step, 0.558213 hours remaining, 19873 kB of memory in use. ENERGY: 100 396.4234 670.5428 414.5636 35.7240 -2774.9376 -209.9468 0.0000 0.0000 1066.4966 -401.1340 290.6501 -392.5730 -391.5948 283.9207 -108.9935 200.2863 64000.0000 -77.1133 -78.2437 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 = -0.640570668821 0.364421596671 -0.993816927925 TCL: Center of mass = -0.640128959315 0.364520993618 -0.993801366385 TCL: Center of mass = -0.639689792872 0.364618321456 -0.993771481051 TCL: Center of mass = -0.63926617077 0.364714021098 -0.993751042142 TCL: Center of mass = -0.638847391222 0.364812450624 -0.993736033968 TCL: Center of mass = -0.638431995826 0.364915097683 -0.993718186126 TCL: Center of mass = -0.638010123817 0.365015575636 -0.993698546033 TCL: Center of mass = -0.63760416378 0.365102206279 -0.993679127956 TCL: Center of mass = -0.637208125129 0.365197868461 -0.99365521764 TCL: Center of mass = -0.636800297122 0.365292127287 -0.993626449426 TCL: Center of mass = -0.636395004704 0.365398421804 -0.99359334408 TCL: Center of mass = -0.63599744649 0.365503871894 -0.993558958461 TCL: Center of mass = -0.6355868598 0.365620912095 -0.993531854632 TCL: Center of mass = -0.635161813567 0.36574114837 -0.99351214769 TCL: Center of mass = -0.634743505196 0.365858407766 -0.993496665442 TCL: Center of mass = -0.634315729853 0.365977532164 -0.993480815508 TCL: Center of mass = -0.633892167701 0.36607801199 -0.993469289336 TCL: Center of mass = -0.633461553385 0.366176008356 -0.993460391752 TCL: Center of mass = -0.633033295419 0.366274558445 -0.993451223584 TCL: Center of mass = -0.632603065392 0.366380090107 -0.993433524442 TCL: Center of mass = -0.632165918663 0.366486835831 -0.993426461842 TCL: Center of mass = -0.631731193829 0.366586914185 -0.993417130864 TCL: Center of mass = -0.631299689492 0.366678840047 -0.993403408182 TCL: Center of mass = -0.630875965713 0.366774453218 -0.993380092374 TCL: Center of mass = -0.630451312186 0.366882966287 -0.993350636465 TCL: Center of mass = -0.630016758036 0.366982643652 -0.993308986709 TCL: Center of mass = -0.629568526584 0.367089399554 -0.993252043131 TCL: Center of mass = -0.629112927472 0.367187102755 -0.993190461604 TCL: Center of mass = -0.628645535243 0.367278510965 -0.993123483827 TCL: Center of mass = -0.628170636954 0.367375770375 -0.993051861109 TCL: Center of mass = -0.627703544859 0.36746953766 -0.992984120533 TCL: Center of mass = -0.627233707292 0.367551595755 -0.992926993409 TCL: Center of mass = -0.62676633887 0.367635962636 -0.992884240775 TCL: Center of mass = -0.626298008199 0.367734601894 -0.992847848124 TCL: Center of mass = -0.625828535656 0.367843218471 -0.992806104689 TCL: Center of mass = -0.625363965057 0.367953937528 -0.992758663826 TCL: Center of mass = -0.624895388981 0.368059971888 -0.992705432262 TCL: Center of mass = -0.624413799622 0.368150892366 -0.992656279233 TCL: Center of mass = -0.623938363185 0.368251247799 -0.992600630921 TCL: Center of mass = -0.62346211648 0.368359114706 -0.992539230477 TCL: Center of mass = -0.622984150735 0.368472578955 -0.992486216316 TCL: Center of mass = -0.622489844861 0.36857950883 -0.992430984996 TCL: Center of mass = -0.621992571381 0.368687610794 -0.992378083679 TCL: Center of mass = -0.621497087638 0.368807938703 -0.992322146279 TCL: Center of mass = -0.620980386563 0.368930699447 -0.992271807162 TCL: Center of mass = -0.620468376069 0.369052366658 -0.992232177713 TCL: Center of mass = -0.619937859934 0.369177202654 -0.992183034742 TCL: Center of mass = -0.619393433636 0.369301351097 -0.992119186435 TCL: Center of mass = -0.61885338305 0.369421095847 -0.99203800738 TCL: Center of mass = -0.61830868394 0.36954554836 -0.991961779467 TCL: Center of mass = -0.617756453054 0.369667660809 -0.9918927323 TCL: Center 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Center of mass = 0.166152349127 0.488971749173 -1.02025125824 TCL: Center of mass = 0.167888140607 0.489157719944 -1.0204284304 TCL: Center of mass = 0.169616592184 0.489343497305 -1.0206151657 TCL: Center of mass = 0.17134654225 0.489524856677 -1.02080393525 TCL: Center of mass = 0.173090946529 0.48970287895 -1.02098787339 TCL: Center of mass = 0.174839729265 0.489877336009 -1.02118370152 TCL: Center of mass = 0.176588653394 0.490058420719 -1.02138348545 TCL: Center of mass = 0.178352339554 0.490237038932 -1.02157305207 TCL: Center of mass = 0.180119700613 0.490418380752 -1.02176151446 TCL: Center of mass = 0.181906737324 0.490602494792 -1.02195438892 TCL: Center of mass = 0.183696194868 0.490784510023 -1.02215254362 TCL: Center of mass = 0.185492959184 0.490974707305 -1.02235754126 TCL: Center of mass = 0.187274875739 0.491159494735 -1.02256123271 TCL: Center of mass = 0.189073587968 0.491339755713 -1.02276598049 TCL: Center of mass = 0.19087402631 0.49153089937 -1.02297462379 TCL: Center of mass = 0.19268645797 0.491717434087 -1.02316959535 TCL: Center of mass = 0.194509818842 0.491906072384 -1.02335294593 TCL: Center of mass = 0.196341725512 0.492096320051 -1.02353945366 TCL: Center of mass = 0.198172584672 0.492289598139 -1.02373175132 TCL: Center of mass = 0.199996223112 0.492462495694 -1.0239204416 TCL: Center of mass = 0.201816027047 0.492634872593 -1.02410816193 TCL: Center of mass = 0.20363928347 0.49280125047 -1.02429448939 TCL: Center of mass = 0.205466185406 0.492958437227 -1.02448147301 TCL: Center of mass = 0.207290986256 0.493124123881 -1.02468212945 TCL: Center of mass = 0.209115610342 0.49330795982 -1.02488895401 TCL: Center of mass = 0.21094482113 0.493495761616 -1.02509113023 TCL: Center of mass = 0.21277018348 0.493688451645 -1.02530724829 TCL: Center of mass = 0.214584608848 0.493886794596 -1.02553344203 TCL: Center of mass = 0.216403564588 0.4940841562 -1.02576310442 TCL: Center of mass = 0.218216705573 0.494290169063 -1.02600344695 TCL: Center of mass = 0.220029328831 0.494498765845 -1.02623634082 TCL: Center of mass = 0.221840754966 0.494704422416 -1.02647410354 TCL: Center of mass = 0.223647008365 0.494910896595 -1.02670115669 TCL: Center of mass = 0.225451709887 0.495103156911 -1.02693181774 TCL: Center of mass = 0.227259356784 0.495307803133 -1.02716686646 TCL: Center of mass = 0.229078944604 0.495509527854 -1.02739256589 TCL: Center of mass = 0.230893097573 0.495708309586 -1.02761116159 TCL: Center of mass = 0.232702759958 0.495912039298 -1.02782842941 TCL: Center of mass = 0.234513224339 0.496114676567 -1.0280466683 TCL: Center of mass = 0.236320256162 0.496312232144 -1.02827075347 TCL: Center of mass = 0.238135122735 0.496503562884 -1.02848809979 TCL: Center of mass = 0.239938642262 0.496691921159 -1.02869750827 TCL: Center of mass = 0.241757889733 0.496879071693 -1.02891466584 TCL: Center of mass = 0.24356984208 0.497071672999 -1.02913376072 TCL: Center of mass = 0.245376796554 0.497264373313 -1.02935071916 TCL: Center of mass = 0.247187781377 0.497463245576 -1.02956557063 TCL: Center of mass = 0.249008742293 0.497660180324 -1.02978379629 TCL: Center of mass = 0.25083454548 0.497865136681 -1.02999435675 TCL: Center of mass = 0.252664511638 0.498066702156 -1.03020178103 TCL: Center of mass = 0.254498894647 0.498259693966 -1.03041088674 TCL: Center of mass = 0.256347914597 0.49845068569 -1.03061393909 TCL: Center of mass = 0.258204222147 0.498637658174 -1.03080745553 TCL: Center of mass = 0.260058040319 0.498814617428 -1.03100579615 TCL: Center of mass = 0.2619043956 0.498990053154 -1.03119227123 TCL: Center of mass = 0.263750686668 0.499173827476 -1.03137171241 TCL: Center of mass = 0.265591919776 0.499360344774 -1.03155366766 TCL: Center of mass = 0.267436464541 0.49955138914 -1.03173814972 TCL: Center of mass = 0.269281908821 0.499743213514 -1.03192419475 TCL: Center of mass = 0.271139242036 0.499938958323 -1.03211397153 TCL: Center of mass = 0.273003573416 0.500129633985 -1.03231482491 TCL: Center of mass = 0.274867167335 0.500314625161 -1.03251651786 TCL: Center of mass = 0.276727969422 0.500507333419 -1.0327060179 TIMING: 900 CPU: 74.8336, 0.0824575/step Wall: 91.2698, 0.10124/step, 0.537132 hours remaining, 20189 kB of memory in use. ENERGY: 900 398.2957 691.1671 437.6289 45.9885 -2790.6597 -213.5468 0.0000 0.0000 1095.6748 -335.4515 298.6020 -326.8204 -326.4266 298.7258 74.7649 219.8552 64000.0000 109.8618 114.0600 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 = 0.278585578569 0.500690307733 -1.03290552326 TCL: Center of mass = 0.280446134828 0.500865590574 -1.03311140507 TCL: Center of mass = 0.282315513351 0.501038333711 -1.03332288877 TCL: Center of mass = 0.284191838263 0.501212433857 -1.03354168495 TCL: Center of mass = 0.286069215314 0.501386053144 -1.03375984525 TCL: Center of mass = 0.287949391906 0.501563332476 -1.03397784935 TCL: Center of mass = 0.289839071798 0.501746946178 -1.03419988252 TCL: Center of mass = 0.291733675452 0.501931935357 -1.03441538751 TCL: Center of mass = 0.293633821607 0.502119522377 -1.03463554773 TCL: Center of mass = 0.295534595086 0.502299463858 -1.03485461951 TCL: Center of mass = 0.297438078064 0.502480582608 -1.03506977964 TCL: Center of mass = 0.299331265548 0.502665541936 -1.03527994271 TCL: Center of mass = 0.301218445096 0.50284371711 -1.03549016287 TCL: Center of mass = 0.303103327039 0.503012087952 -1.03570000959 TCL: Center of mass = 0.304985400954 0.503186577162 -1.03589463928 TCL: Center of mass = 0.306865096861 0.503370888046 -1.03608505044 TCL: Center of mass = 0.308746335803 0.503552855112 -1.03626985049 TCL: Center of mass = 0.310616343879 0.50373011574 -1.03644934293 TCL: Center of mass = 0.312482312762 0.503926740558 -1.03662707566 TCL: Center of mass = 0.314348993965 0.504124990318 -1.0368099031 TCL: Center of mass = 0.316223765315 0.504312522737 -1.03698716737 TCL: Center of mass = 0.318100737191 0.504487883274 -1.03716825868 TCL: Center of mass = 0.319982088959 0.504666976117 -1.03735714576 TCL: Center of mass = 0.321864067168 0.50483831097 -1.03754646558 TCL: Center of mass = 0.323749869748 0.505009699931 -1.03774354314 TCL: Center of mass = 0.325638848271 0.505183372978 -1.03794583604 TCL: Center of mass = 0.327527429522 0.505356854142 -1.03815594995 TCL: Center of mass = 0.329409879724 0.505537219743 -1.03837029205 TCL: Center of mass = 0.33129786862 0.505714620069 -1.03857269674 TCL: Center of mass = 0.333192287489 0.505886102648 -1.03877231107 TCL: Center of mass = 0.335093571972 0.506063827129 -1.03897533476 TCL: Center of mass = 0.337006870318 0.506236255426 -1.03916915209 TCL: Center of mass = 0.338917125139 0.506406259826 -1.03935664519 TCL: Center of mass = 0.340828941824 0.506575257518 -1.03955268427 TCL: Center of mass = 0.342730031116 0.506745529908 -1.03974754098 TCL: Center of mass = 0.344619616163 0.506907912173 -1.03993769743 TCL: Center of mass = 0.346508840614 0.507068948517 -1.0401304112 TCL: Center of mass = 0.34839764334 0.507240693424 -1.04031924449 TCL: Center of mass = 0.350289010471 0.507422788517 -1.04049892234 TCL: Center of mass = 0.352181232703 0.507607232868 -1.04067658048 TCL: Center of mass = 0.354067692052 0.507793964902 -1.04085806947 TCL: Center of mass = 0.355942088827 0.507988990092 -1.04104618439 TCL: Center of mass = 0.357807940364 0.508186974735 -1.0412455934 TCL: Center of mass = 0.359676800889 0.508377749337 -1.04143708648 TCL: Center of mass = 0.361532963425 0.508575731992 -1.04164287622 TCL: Center of mass = 0.363400915182 0.508762138373 -1.04183969684 TCL: Center of mass = 0.365272160017 0.508941679839 -1.04203379539 TCL: Center of mass = 0.367129862628 0.509115998277 -1.04223156228 TCL: Center of mass = 0.368976514934 0.509291964611 -1.04242140354 TCL: Center of mass = 0.370820217894 0.509465612858 -1.04261757873 TCL: Center of mass = 0.372654303252 0.509629984346 -1.04281650653 TCL: Center of mass = 0.374491135523 0.509789512261 -1.04303144469 TCL: Center of mass = 0.376321452287 0.509937220403 -1.04324343538 TCL: Center of mass = 0.378145205036 0.510086564646 -1.04345307275 TCL: Center of mass = 0.379971843999 0.510247985349 -1.0436567578 TCL: Center of mass = 0.381805856306 0.510397756255 -1.04385166136 TCL: Center of mass = 0.383645423686 0.510546398325 -1.04403534445 TCL: Center of mass = 0.385478893217 0.510700653047 -1.04421084789 TCL: Center of mass = 0.387309381427 0.510855338616 -1.04439648529 TCL: Center of mass = 0.38913500132 0.511013466626 -1.04458457607 TCL: Center of mass = 0.390962585091 0.511164423165 -1.04476129803 TCL: Center of mass = 0.392783405969 0.51132513222 -1.04493509773 TCL: Center of mass = 0.394613205663 0.511491466431 -1.04510481994 TCL: Center of mass = 0.396444053514 0.51165617008 -1.04527929813 TCL: Center of mass = 0.398268485306 0.51181407613 -1.0454468066 TCL: Center of mass = 0.400100829031 0.511966733306 -1.04559912552 TCL: Center of mass = 0.401930390462 0.512120889492 -1.04575020976 TCL: Center of mass = 0.403762448419 0.51227880383 -1.04591754499 TCL: Center of mass = 0.40558970738 0.512439741323 -1.04607823359 TCL: Center of mass = 0.407424775448 0.512608887934 -1.04624619089 TCL: Center of mass = 0.409257498889 0.512776875291 -1.04640246725 TCL: Center of mass = 0.41109938198 0.512940946926 -1.04654302276 TCL: Center of mass = 0.412935792393 0.51310140839 -1.04668318445 TCL: Center of mass = 0.41477321937 0.51327050928 -1.04681489094 TCL: Center of mass = 0.41660909376 0.513450038362 -1.04694890031 TCL: Center of mass = 0.418448556213 0.513610724753 -1.04709056495 TCL: Center of mass = 0.420288063904 0.513772680805 -1.04722677416 TCL: Center of mass = 0.422126207518 0.513944519061 -1.04736964921 TCL: Center of mass = 0.423959701063 0.514129965735 -1.04750427428 TCL: Center of mass = 0.425795420249 0.514315324843 -1.04762997137 TCL: Center of mass = 0.427636831363 0.514504867539 -1.04775689928 TCL: Center of mass = 0.429472250766 0.514691136692 -1.04790208025 TCL: Center of mass = 0.431320449685 0.514874269363 -1.04805788162 TCL: Center of mass = 0.433172636519 0.515048468726 -1.04821047347 TCL: Center of mass = 0.43502398745 0.515222365256 -1.04835727308 TCL: Center of mass = 0.436864960173 0.515392615948 -1.04849882037 TCL: Center of mass = 0.438721057552 0.515554090546 -1.04863974932 TCL: Center of mass = 0.440587485851 0.515707281141 -1.04878329477 TCL: Center of mass = 0.442451871255 0.515853217838 -1.04893443538 TCL: Center of mass = 0.444319218271 0.515999880087 -1.04909014453 TCL: Center of mass = 0.446181158936 0.516151628808 -1.04924922006 TCL: Center of mass = 0.448039749929 0.516294933106 -1.04940342727 TCL: Center of mass = 0.449895406271 0.516437222748 -1.0495611332 TCL: Center of mass = 0.451762321584 0.51657995805 -1.04971236478 TCL: Center of mass = 0.453626760923 0.516725832725 -1.04985966848 TCL: Center of mass = 0.455487147749 0.516873019396 -1.05000449972 TCL: Center of mass = 0.457355093829 0.517030271173 -1.05016231075 TCL: Center of mass = 0.459235677277 0.517188718004 -1.05030885348 TCL: Center of mass = 0.461109846799 0.517340733318 -1.05043833274 TCL: Center of mass = 0.462979012748 0.517503864685 -1.05056893338 TIMING: 1000 CPU: 83.1144, 0.0828074/step Wall: 101.442, 0.101722/step, 0.536868 hours remaining, 20190 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 378.7454 691.7068 412.7734 50.4599 -2807.2615 -175.0618 0.0000 0.0000 1125.4717 -323.1661 306.7225 -314.7976 -313.3283 299.5925 599.7957 587.5843 64000.0000 64.7871 57.5807 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 = 0.464855589982 0.517674677499 -1.05069955948 TCL: Center of mass = 0.466738606573 0.517843524774 -1.05083267474 TCL: Center of mass = 0.468634904487 0.518014833105 -1.0509670853 TCL: Center of mass = 0.470518798971 0.518182550954 -1.05110007158 TCL: Center of mass = 0.472408054726 0.518357389849 -1.05122730756 TCL: Center of mass = 0.474287773747 0.518532134318 -1.05135716626 TCL: Center of mass = 0.476175978832 0.518719070597 -1.05148842359 TCL: Center of mass = 0.478071389709 0.518910915067 -1.05162165463 TCL: Center of mass = 0.479967313784 0.519091291247 -1.05174894553 TCL: Center of mass = 0.481866545737 0.51927424621 -1.05188187323 TCL: Center of mass = 0.483766798085 0.519453680247 -1.05200693871 TCL: Center of mass = 0.485665453047 0.519635643139 -1.05213170047 TCL: Center of mass = 0.487554867036 0.519817738944 -1.0522504849 TCL: Center of mass = 0.489443938973 0.520004579451 -1.05237338277 TCL: Center of mass = 0.491339248924 0.520203202465 -1.05249663724 TCL: Center of mass = 0.493224846356 0.520403686366 -1.05260704954 TCL: Center of mass = 0.495108284064 0.520602078067 -1.0527152628 TCL: Center of mass = 0.496992716727 0.52079958966 -1.0528165117 TCL: Center of mass = 0.498864554091 0.520985763004 -1.05291735068 TCL: Center of mass = 0.50074170126 0.521179052953 -1.05301459987 TCL: Center of mass = 0.502609964568 0.521364331526 -1.0531231477 TCL: Center of mass = 0.504483514006 0.521549221366 -1.05321387957 TCL: Center of mass = 0.506362194758 0.521735620925 -1.05331197385 TCL: Center of mass = 0.508244027018 0.521928036822 -1.05341430892 TCL: Center of mass = 0.510130280252 0.522130327368 -1.05351700609 TCL: Center of mass = 0.512012550912 0.522342844321 -1.05361726538 TCL: Center of mass = 0.513895411205 0.522560812275 -1.0537119536 TCL: Center of mass = 0.515767893464 0.522788980298 -1.05380218454 TCL: Center of mass = 0.517632956494 0.523021525366 -1.05387938945 TCL: Center of mass = 0.519490163695 0.523259230704 -1.05396231842 TCL: Center of mass = 0.521346484295 0.523490818651 -1.0540421602 TCL: Center of mass = 0.523205136458 0.523724852053 -1.0541227027 TCL: Center of mass = 0.525085186755 0.523952745014 -1.05419887448 TCL: Center of mass = 0.526971306502 0.52418715841 -1.05427182563 TCL: Center of mass = 0.528869893726 0.524422787003 -1.054336631 TCL: Center of mass = 0.530770101837 0.524642237882 -1.05439839358 TCL: Center of mass = 0.532681594314 0.524854592686 -1.05445657413 TCL: Center of mass = 0.534591907668 0.525066060427 -1.05451677334 TCL: Center of mass = 0.53649735512 0.525266912164 -1.05459021354 TCL: Center of mass = 0.538406812033 0.525468722619 -1.0546625098 TCL: Center of mass = 0.540330373083 0.525679622462 -1.05472440612 TCL: Center of mass = 0.542248943927 0.525875427715 -1.05478677158 TCL: Center of mass = 0.54417151293 0.526060745402 -1.0548506699 TCL: Center of mass = 0.546100877435 0.526261417906 -1.05491584182 TCL: Center of mass = 0.548036585112 0.52645986874 -1.05498616685 TCL: Center of mass = 0.549959966829 0.526659827896 -1.05506414725 TCL: Center of mass = 0.551883793736 0.526854556092 -1.05515442033 TCL: Center of mass = 0.553811504779 0.527055423405 -1.05524535044 TCL: Center of mass = 0.555757132176 0.527266437161 -1.055333079 TCL: Center of mass = 0.557703001049 0.527490565063 -1.05542396307 TCL: Center of mass = 0.559652016988 0.527725356613 -1.05551144461 TCL: Center of mass = 0.561614310261 0.527954640028 -1.05559261366 TCL: Center of mass = 0.563577279173 0.52818426171 -1.05567854913 TCL: Center of mass = 0.565531637282 0.528416601235 -1.05576633468 TCL: Center of mass = 0.567491779422 0.528673170343 -1.05585122298 TCL: Center of mass = 0.569449287356 0.52893722928 -1.0559345037 TCL: Center of mass = 0.571411553602 0.529205310368 -1.05600918382 TCL: Center of mass = 0.573380599115 0.529479846429 -1.05608811893 TCL: Center of mass = 0.575341799456 0.529763577283 -1.05615137957 TCL: Center of mass = 0.57730704328 0.530034743442 -1.05622795158 TCL: Center of mass = 0.579266566271 0.530305638272 -1.0562918007 TCL: Center of mass = 0.581227878752 0.530575318589 -1.05637062583 TCL: Center of mass = 0.583187786718 0.530841518851 -1.0564545485 TCL: Center of mass = 0.585147924307 0.531108785352 -1.05653895853 TCL: Center of mass = 0.587122768089 0.531367013792 -1.05662395566 TCL: Center of mass = 0.589097909046 0.531633471134 -1.05671095255 TCL: Center of mass = 0.591073243915 0.53190358288 -1.05680298861 TCL: Center of mass = 0.593052070839 0.532165106356 -1.05690452687 TCL: Center of mass = 0.595029521778 0.532419441486 -1.05700617241 TCL: Center of mass = 0.597006749957 0.532675555511 -1.05711824516 TCL: Center of mass = 0.598976385775 0.53293199921 -1.05722710132 TCL: Center of mass = 0.600953766606 0.533189896831 -1.0573360278 TCL: Center of mass = 0.602926191848 0.53343500796 -1.05743542817 TCL: Center of mass = 0.6049157276 0.53365831252 -1.0575426051 TCL: Center of mass = 0.606908362522 0.533884468616 -1.0576482265 TCL: Center of mass = 0.608909805741 0.534104661355 -1.05775228177 TCL: Center of mass = 0.610902990441 0.534329719504 -1.0578542903 TCL: Center of mass = 0.612900398814 0.534548097745 -1.0579528063 TCL: Center of mass = 0.614894557744 0.534771343878 -1.05805414162 TCL: Center of mass = 0.616888204279 0.534974753948 -1.05814340548 TCL: Center of mass = 0.618882052423 0.535184188205 -1.05822438024 TCL: Center of mass = 0.620878203431 0.535398991783 -1.05831112323 TCL: Center of mass = 0.622878001895 0.535605423541 -1.05840130773 TCL: Center of mass = 0.624868356314 0.535799150217 -1.05847410224 TCL: Center of mass = 0.626855376932 0.536002332277 -1.05854639436 TCL: Center of mass = 0.628845259929 0.536205432108 -1.05862625353 TCL: Center of mass = 0.630830100304 0.536409292401 -1.05870686641 TCL: Center of mass = 0.632824972796 0.53660778873 -1.0587968618 TCL: Center of mass = 0.63482986165 0.536812008285 -1.05890450593 TCL: Center of mass = 0.636845182915 0.537005952184 -1.05900798071 TCL: Center of mass = 0.638857743505 0.537189350256 -1.05912237041 TCL: Center of mass = 0.640876965314 0.537373815132 -1.05924413873 TCL: Center of mass = 0.64289715402 0.537564102177 -1.05935883881 TCL: Center of mass = 0.644913662816 0.537744348155 -1.05947785318 TCL: Center of mass = 0.646939194338 0.537931448472 -1.05959649668 TCL: Center of mass = 0.648957920576 0.538122601926 -1.05971740804 TCL: Center of mass = 0.650992691897 0.53830577484 -1.05984475661 TCL: Center of mass = 0.653017257663 0.53850210696 -1.05996443903 TCL: Center of mass = 0.655044959318 0.538700195255 -1.06008725985 TCL: Center of mass = 0.657070952717 0.538900755546 -1.06021147994 TIMING: 1100 CPU: 91.3341, 0.0821975/step Wall: 111.534, 0.100923/step, 0.529844 hours remaining, 20197 kB of memory in use. ENERGY: 1100 401.5805 696.1315 414.9984 41.7863 -2761.4899 -217.4076 0.0000 0.0000 1080.7751 -343.6256 294.5414 -335.2059 -334.2090 299.1362 -58.9857 -238.5015 64000.0000 122.3944 122.8473 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 = 0.659101118477 0.539104243311 -1.06033951408 TCL: Center of mass = 0.661124112888 0.53931210661 -1.06047176913 TCL: Center of mass = 0.663142815112 0.539511483128 -1.06061325693 TCL: Center of mass = 0.665158739714 0.53970417069 -1.06074931061 TCL: Center of mass = 0.667179595698 0.539903093267 -1.06087960467 TCL: Center of mass = 0.669209894232 0.540098253054 -1.06102400676 TCL: Center of mass = 0.671234066388 0.540291515232 -1.06115475687 TCL: Center of mass = 0.673256198366 0.540495026982 -1.06128172514 TCL: Center of mass = 0.675274709477 0.540690513519 -1.06140671004 TCL: Center of mass = 0.677294263495 0.540884666812 -1.06151836294 TCL: Center of mass = 0.679321290687 0.541073744368 -1.06163049712 TCL: Center of mass = 0.681368613536 0.541259694494 -1.06173357294 TCL: Center of mass = 0.683406452832 0.54144245311 -1.0618416808 TCL: Center of mass = 0.685445177137 0.541633654917 -1.06195390342 TCL: Center of mass = 0.687486298138 0.541818697863 -1.06207200313 TCL: Center of mass = 0.689535019544 0.542001151456 -1.06219043401 TCL: Center of mass = 0.691579543722 0.542197023189 -1.06231810883 TCL: Center of mass = 0.693627486643 0.542388091995 -1.06245022369 TCL: Center of mass = 0.695672653436 0.542583655149 -1.06259122686 TCL: Center of mass = 0.697719462079 0.542782151339 -1.0627364053 TCL: Center of mass = 0.699769617814 0.542974161403 -1.06287892549 TCL: Center of mass = 0.70182855065 0.543168679185 -1.06302895187 TCL: Center of mass = 0.703887404234 0.54336145518 -1.06319129665 TCL: Center of mass = 0.705952274825 0.543554756471 -1.06335571495 TCL: Center of mass = 0.708012868914 0.543748262705 -1.06352469806 TCL: Center of mass = 0.710076741308 0.543948531855 -1.06370090062 TCL: Center of mass = 0.71215572084 0.544148959064 -1.06386836476 TCL: Center of mass = 0.714235358932 0.544348458172 -1.06403257498 TCL: Center of mass = 0.716317066408 0.544556946468 -1.06420177954 TCL: Center of mass = 0.718391404368 0.544762234229 -1.06437188093 TCL: Center of mass = 0.720474890975 0.544974640391 -1.06454564993 TCL: Center of mass = 0.722556768495 0.545182589487 -1.06472959705 TCL: Center of mass = 0.724651596037 0.545391499449 -1.06492257961 TCL: Center of mass = 0.726756031174 0.545601261593 -1.06511511732 TCL: Center of mass = 0.72885487045 0.545797454071 -1.0653083478 TCL: Center of mass = 0.73095487363 0.545991005923 -1.06550931283 TCL: Center of mass = 0.73306946836 0.546171972068 -1.06571809683 TCL: Center of mass = 0.735178177325 0.546363033754 -1.0659304775 TCL: Center of mass = 0.737292214266 0.546537614788 -1.0661459575 TCL: Center of mass = 0.739409319712 0.546722591153 -1.0663585284 TCL: Center of mass = 0.741537652241 0.546914348165 -1.06656164437 TCL: Center of mass = 0.743673630282 0.547104138002 -1.06676748947 TCL: Center of mass = 0.745818350375 0.547288840813 -1.06698065713 TCL: Center of mass = 0.747955281173 0.547480161603 -1.06719702523 TCL: Center of mass = 0.750079886253 0.547666878201 -1.06741079718 TCL: Center of mass = 0.752193159459 0.547856912319 -1.06762187774 TCL: Center of mass = 0.754301133682 0.54804179753 -1.06782370299 TCL: Center of mass = 0.756409269072 0.548224597483 -1.06800552625 TCL: Center of mass = 0.758510666496 0.548401072388 -1.06817921054 TCL: Center of mass = 0.760619481657 0.548567543041 -1.06835350883 TCL: Center of mass = 0.762740527852 0.548726506667 -1.06853496158 TCL: Center of mass = 0.76486706767 0.548883805365 -1.06872113366 TCL: Center of mass = 0.766990196608 0.549032480014 -1.06890890944 TCL: Center of mass = 0.769119707195 0.549194061274 -1.069100064 TCL: Center of mass = 0.771242124398 0.549367680592 -1.06928858592 TCL: Center of mass = 0.77334630698 0.549540321674 -1.06947829378 TCL: Center of mass = 0.775459165278 0.549709070662 -1.06966534234 TCL: Center of mass = 0.77756711047 0.549881432109 -1.06985724848 TCL: Center of mass = 0.779682723891 0.550040272559 -1.07005229763 TCL: Center of mass = 0.781795790733 0.550191089583 -1.0702492514 TCL: Center of mass = 0.783909095672 0.550339389495 -1.07044391977 TCL: Center of mass = 0.786015966557 0.550473425148 -1.0706426277 TCL: Center of mass = 0.78812338735 0.550613505892 -1.07085161572 TCL: Center of mass = 0.79023932597 0.550757563402 -1.07105350244 TCL: Center of mass = 0.792358699816 0.550900859876 -1.07125023274 TCL: Center of mass = 0.794477465381 0.551034571606 -1.07144384221 TCL: Center of mass = 0.796594066259 0.551162626964 -1.07164228525 TCL: Center of mass = 0.798719349404 0.551292381794 -1.07184947468 TCL: Center of mass = 0.800842674368 0.55142346752 -1.0720396123 TCL: Center of mass = 0.802952479649 0.551556868604 -1.07221626923 TCL: Center of mass = 0.805068693821 0.551689789325 -1.07240371107 TCL: Center of mass = 0.807182664158 0.551812181739 -1.07259185622 TCL: Center of mass = 0.809300373576 0.551939259884 -1.07276747226 TCL: Center of mass = 0.811421767131 0.552061741535 -1.0729389412 TCL: Center of mass = 0.813534869257 0.552191991494 -1.07310521046 TCL: Center of mass = 0.815649539805 0.552333311639 -1.07327484456 TCL: Center of mass = 0.81777477155 0.552464690752 -1.07344295106 TCL: Center of mass = 0.819901131557 0.552588946602 -1.07359614186 TCL: Center of mass = 0.822033334437 0.55271171054 -1.07375377963 TCL: Center of mass = 0.824172200321 0.552841036916 -1.07391771817 TCL: Center of mass = 0.826313938408 0.552961746461 -1.07407928832 TCL: Center of mass = 0.828450470091 0.553091272712 -1.07424326197 TCL: Center of mass = 0.830591415954 0.553218659207 -1.07440887962 TCL: Center of mass = 0.832731574867 0.553349474724 -1.07456290161 TCL: Center of mass = 0.834877817316 0.553483277757 -1.07471604854 TCL: Center of mass = 0.837032348058 0.55361884445 -1.07486257682 TCL: Center of mass = 0.839201798427 0.553748231404 -1.07500804307 TCL: Center of mass = 0.841370904777 0.553875433959 -1.07515589924 TCL: Center of mass = 0.843536425334 0.554005462218 -1.07530465584 TCL: Center of mass = 0.845693902835 0.554124961237 -1.07545344762 TCL: Center of mass = 0.847858406033 0.554247769781 -1.07558388862 TCL: Center of mass = 0.850026700472 0.554383242017 -1.07570915817 TCL: Center of mass = 0.852190698554 0.554512176041 -1.07583666864 TCL: Center of mass = 0.854359094153 0.554629631111 -1.07596251461 TCL: Center of mass = 0.856540556182 0.5547487055 -1.07608992229 TCL: Center of mass = 0.858719680609 0.554865215273 -1.07622431776 TCL: Center of mass = 0.860902026215 0.554971167876 -1.07636028972 TCL: Center of mass = 0.863078366547 0.555074874757 -1.07649560393 TCL: Center of mass = 0.865250060989 0.555179036093 -1.07662327146 TCL: Center of mass = 0.867424640485 0.555296960093 -1.07675995239 TIMING: 1200 CPU: 99.6129, 0.0827874/step Wall: 121.695, 0.101604/step, 0.530598 hours remaining, 20198 kB of memory in use. ENERGY: 1200 398.5056 696.1652 419.0682 37.4857 -2768.2790 -229.9428 0.0000 0.0000 1110.7587 -336.2385 302.7128 -327.2940 -328.0412 298.1225 -318.0170 -476.9814 64000.0000 -98.3779 -94.8868 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 = 0.869601013499 0.55542003719 -1.07689773229 TCL: Center of mass = 0.871779550082 0.555535495562 -1.07702964336 TCL: Center of mass = 0.873976135418 0.555664794139 -1.07717575054 TCL: Center of mass = 0.876183093029 0.555790354963 -1.07732672303 TCL: Center of mass = 0.878392581591 0.555905054533 -1.07746382509 TCL: Center of mass = 0.880608583158 0.556027509768 -1.07760310129 TCL: Center of mass = 0.882818581375 0.55614381167 -1.07774639653 TCL: Center of mass = 0.885023167578 0.556270092443 -1.07789232869 TCL: Center of mass = 0.887221887685 0.556386810468 -1.07803848572 TCL: Center of mass = 0.889414941171 0.556508387887 -1.07818834731 TCL: Center of mass = 0.891606595877 0.556650070379 -1.07833496436 TCL: Center of mass = 0.893798393163 0.556798113085 -1.07846939636 TCL: Center of mass = 0.895996038854 0.556931574591 -1.07860729976 TCL: Center of mass = 0.89819206974 0.557064738219 -1.07874824899 TCL: Center of mass = 0.900384829142 0.557185691086 -1.0788834258 TCL: Center of mass = 0.902565531089 0.557296512637 -1.07902315813 TCL: Center of mass = 0.904742956568 0.557396489587 -1.07916261932 TCL: Center of mass = 0.906925234766 0.557497972713 -1.07931162438 TCL: Center of mass = 0.909118666723 0.557599485172 -1.07945589088 TCL: Center of mass = 0.911313073718 0.55770414695 -1.07960616058 TCL: Center of mass = 0.913513080673 0.557812975058 -1.07976027466 TCL: Center of mass = 0.915714180636 0.557926373629 -1.07992129436 TCL: Center of mass = 0.917924517531 0.558049023789 -1.08007216476 TCL: Center of mass = 0.920143293971 0.55819068941 -1.08022531386 TCL: Center of mass = 0.922377572906 0.558324467528 -1.08037389115 TCL: Center of mass = 0.924599942709 0.55846665517 -1.08052074725 TCL: Center of mass = 0.926834639108 0.558609964876 -1.08066570415 TCL: Center of mass = 0.92906892896 0.5587526687 -1.08080410759 TCL: Center of mass = 0.931298510134 0.558895055488 -1.0809410134 TCL: Center of mass = 0.933529587415 0.559039419512 -1.08108129564 TCL: Center of mass = 0.935766162903 0.559176832969 -1.08122666873 TCL: Center of mass = 0.938007971034 0.559306646311 -1.08136858654 TCL: Center of mass = 0.940247684624 0.559440309706 -1.08151601082 TCL: Center of mass = 0.942490777233 0.559577098091 -1.08165094395 TCL: Center of mass = 0.944730123546 0.559701173542 -1.08179251385 TCL: Center of mass = 0.946984700911 0.559822924918 -1.08193389747 TCL: Center of mass = 0.949240065095 0.559955308366 -1.08207796278 TCL: Center of mass = 0.951490957885 0.560090943323 -1.08223049316 TCL: Center of mass = 0.953736566791 0.560229759792 -1.08238884198 TCL: Center of mass = 0.955994635736 0.560355818237 -1.08255596821 TCL: Center of mass = 0.958249590758 0.560474781442 -1.0827238317 TCL: Center of mass = 0.960511170507 0.560590043208 -1.08288594489 TCL: Center of mass = 0.962772605048 0.560688734147 -1.0830416036 TCL: Center of mass = 0.9650339161 0.560782625213 -1.08319157431 TCL: Center of mass = 0.967296614972 0.560883080683 -1.0833526656 TCL: Center of mass = 0.969559646518 0.560988092051 -1.08351639614 TCL: Center of mass = 0.971825807722 0.561093713832 -1.08369095865 TCL: Center of mass = 0.974099209207 0.561201288406 -1.08386648437 TCL: Center of mass = 0.976379670322 0.561310995426 -1.08404857086 TCL: Center of mass = 0.978659628629 0.561415852075 -1.08422258776 TCL: Center of mass = 0.980925515632 0.561521020197 -1.08438176556 TCL: Center of mass = 0.983192642318 0.561636110153 -1.08454577667 TCL: Center of mass = 0.985459978983 0.561747636674 -1.08471537344 TCL: Center of mass = 0.987721431017 0.561859863224 -1.08489053943 TCL: Center of mass = 0.989982245364 0.561968522595 -1.08506249233 TCL: Center of mass = 0.992247427011 0.562083911792 -1.08523906862 TCL: Center of mass = 0.994505354498 0.562204350333 -1.08543045247 TCL: Center of mass = 0.996769056754 0.562328232029 -1.08561830144 TCL: Center of mass = 0.999034306581 0.562452595008 -1.08581171318 TCL: Center of mass = 1.00129579518 0.56257676875 -1.08600740888 TCL: Center of mass = 1.0035693059 0.562696272328 -1.08621346041 TCL: Center of mass = 1.00584588593 0.562826244877 -1.08641409935 TCL: Center of mass = 1.00812266896 0.562958180404 -1.08661147749 TCL: Center of mass = 1.01041224544 0.563095062525 -1.08679700863 TCL: Center of mass = 1.01270744239 0.563223486737 -1.08698829105 TCL: Center of mass = 1.0150000069 0.563343512443 -1.08718073513 TCL: Center of mass = 1.01729686532 0.563475409278 -1.0873797338 TCL: Center of mass = 1.01959086999 0.563606495674 -1.08756020686 TCL: Center of mass = 1.02187615326 0.563742415052 -1.0877385264 TCL: Center of mass = 1.02416122949 0.563867328219 -1.08791718905 TCL: Center of mass = 1.02644564213 0.563989614443 -1.08810041613 TCL: Center of mass = 1.02873546129 0.564106969598 -1.08828932046 TCL: Center of mass = 1.03102425366 0.564211671168 -1.08847893442 TCL: Center of mass = 1.03333133274 0.564321453993 -1.08866602687 TCL: Center of mass = 1.03563393931 0.564431882593 -1.08884902063 TCL: Center of mass = 1.03793956626 0.564539932493 -1.08903828059 TCL: Center of mass = 1.04024428651 0.564652371415 -1.08924013626 TCL: Center of mass = 1.04253984588 0.564763304681 -1.08944255373 TCL: Center of mass = 1.0448334315 0.564874523401 -1.08965382634 TCL: Center of mass = 1.0471273114 0.564987665451 -1.08985955127 TCL: Center of mass = 1.04942142728 0.565097270014 -1.09005491674 TCL: Center of mass = 1.05172187617 0.565193487036 -1.09025125216 TCL: Center of mass = 1.05402826921 0.565289829771 -1.09045176781 TCL: Center of mass = 1.05633857086 0.565379838395 -1.09064952667 TCL: Center of mass = 1.05864176455 0.565473598703 -1.09084736729 TCL: Center of mass = 1.06095057069 0.565569167711 -1.09103917625 TCL: Center of mass = 1.06326666005 0.56566378364 -1.09123504258 TCL: Center of mass = 1.06558416472 0.565753090088 -1.09142378207 TCL: Center of mass = 1.0679219358 0.56584787719 -1.09161178375 TCL: Center of mass = 1.07025589439 0.565941238374 -1.09181534573 TCL: Center of mass = 1.0725995687 0.5660403519 -1.09202265464 TCL: Center of mass = 1.07494933428 0.566131567636 -1.09221372186 TCL: Center of mass = 1.07730236665 0.566221255725 -1.09240103669 TCL: Center of mass = 1.0796613729 0.566303817679 -1.09258624599 TCL: Center of mass = 1.08203584622 0.566389935717 -1.09277574073 TCL: Center of mass = 1.08440509781 0.566471416806 -1.09295744079 TCL: Center of mass = 1.08676784381 0.566549478782 -1.09314377421 TCL: Center of mass = 1.089141079 0.56662247628 -1.0933376404 TCL: Center of mass = 1.0915134523 0.566698391946 -1.09352926659 TCL: Center of mass = 1.09389422703 0.566769647856 -1.09373297302 TIMING: 1300 CPU: 107.848, 0.0823475/step Wall: 131.8, 0.101056/step, 0.524932 hours remaining, 20198 kB of memory in use. ENERGY: 1300 406.2473 706.4649 416.0263 48.1040 -2781.5815 -209.5868 0.0000 0.0000 1078.7813 -335.5443 293.9981 -326.8209 -326.5306 300.5591 -101.5540 -98.5180 64000.0000 -238.8886 -240.1385 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 = 1.09628116755 0.566831256299 -1.09393269868 TCL: Center of mass = 1.09866949726 0.566888675771 -1.09411845726 TCL: Center of mass = 1.10106281531 0.566954226478 -1.09430514458 TCL: Center of mass = 1.10345880894 0.56702056405 -1.09448710271 TCL: Center of mass = 1.10587702753 0.567085276684 -1.09466788997 TCL: Center of mass = 1.10831190737 0.567156494531 -1.09484533598 TCL: Center of mass = 1.11074935925 0.567228750572 -1.09501642713 TCL: Center of mass = 1.11319944701 0.567294937471 -1.09518844173 TCL: Center of mass = 1.11565604232 0.567362259938 -1.09536653465 TCL: Center of mass = 1.11810968918 0.567434628308 -1.09553810076 TCL: Center of mass = 1.12056087474 0.567508209509 -1.09570342565 TCL: Center of mass = 1.12301418653 0.567587448304 -1.09586232829 TCL: Center of mass = 1.12547522634 0.56766439137 -1.09601545433 TCL: Center of mass = 1.12793738813 0.567742700439 -1.09616217976 TCL: Center of mass = 1.13039866577 0.567816415958 -1.09630713614 TCL: Center of mass = 1.13285888025 0.567895324169 -1.09644302384 TCL: Center of mass = 1.13532515721 0.56796716591 -1.09658620645 TCL: Center of mass = 1.13779811565 0.568044306378 -1.09673341276 TCL: Center of mass = 1.1402660957 0.568124261471 -1.09687942873 TCL: Center of mass = 1.14274208261 0.568211608505 -1.09702618478 TCL: Center of mass = 1.14522201935 0.568310561077 -1.09716123243 TCL: Center of mass = 1.1476934025 0.568407279947 -1.09728359455 TCL: Center of mass = 1.15017222221 0.568514405371 -1.09740352864 TCL: Center of mass = 1.1526691928 0.568617154718 -1.09752816078 TCL: Center of mass = 1.15516202907 0.568729660787 -1.09765497411 TCL: Center of mass = 1.15765874257 0.568841510267 -1.09778922252 TCL: Center of mass = 1.16015920415 0.568956810949 -1.09791559423 TCL: Center of mass = 1.16265200009 0.569067835603 -1.0980332028 TCL: Center of mass = 1.16513065306 0.569174108787 -1.09815193902 TCL: Center of mass = 1.16760882622 0.569280851907 -1.09827485072 TCL: Center of mass = 1.1700925632 0.569387312123 -1.0984114072 TCL: Center of mass = 1.17258250191 0.569510062874 -1.09854201839 TCL: Center of mass = 1.17507368313 0.569635798201 -1.09866899588 TCL: Center of mass = 1.17757407879 0.569762614094 -1.09880000715 TCL: Center of mass = 1.18005915799 0.569891521548 -1.09893976638 TCL: Center of mass = 1.18254837503 0.570027241529 -1.09907826405 TCL: Center of mass = 1.18503367732 0.570161516916 -1.09920449991 TCL: Center of mass = 1.18751723344 0.570292753515 -1.0993319044 TCL: Center of mass = 1.19000996197 0.570428566506 -1.09945422742 TCL: Center of mass = 1.19249716875 0.570561083222 -1.099568397 TCL: Center of mass = 1.19498178147 0.570699673551 -1.09967331947 TCL: Center of mass = 1.19747205568 0.570833139648 -1.09978027716 TCL: Center of mass = 1.19996022794 0.570972854989 -1.09988266454 TCL: Center of mass = 1.20244696521 0.571122740085 -1.09998745181 TCL: Center of mass = 1.20494126113 0.571283957247 -1.10008981538 TCL: Center of mass = 1.20742733502 0.571435854536 -1.1001892994 TCL: Center of mass = 1.20990458402 0.57159120449 -1.10028482063 TCL: Center of mass = 1.21238271696 0.571753045848 -1.1003686247 TCL: Center of mass = 1.21484822401 0.57191326303 -1.10045462156 TCL: Center of mass = 1.21732977957 0.572073759815 -1.10053389399 TCL: Center of mass = 1.21982341153 0.572239554129 -1.10061797667 TCL: Center of mass = 1.22232977165 0.572404146358 -1.10071051037 TCL: Center of mass = 1.22483679759 0.572561421111 -1.10080370501 TCL: Center of mass = 1.22734438954 0.572721521823 -1.10090832284 TCL: Center of mass = 1.22985528544 0.572882677124 -1.10101445856 TCL: Center of mass = 1.23236406101 0.573033761852 -1.1011082381 TCL: Center of mass = 1.23487863968 0.573194785186 -1.10121413551 TCL: Center of mass = 1.23739762112 0.573350048608 -1.10131653722 TCL: Center of mass = 1.23991625073 0.573514734292 -1.10143782423 TCL: Center of mass = 1.24243774186 0.573677146186 -1.10156036609 TCL: Center of mass = 1.24497052919 0.573837910979 -1.10169345651 TCL: Center of mass = 1.2474968713 0.573985552823 -1.10181558398 TCL: Center of mass = 1.25002282903 0.574126100512 -1.1019307629 TCL: Center of mass = 1.25254848107 0.574251740669 -1.10205698725 TCL: Center of mass = 1.25507775496 0.57438446638 -1.10219021094 TCL: Center of mass = 1.2576248212 0.574528765329 -1.10232192146 TCL: Center of mass = 1.26017592361 0.574683461609 -1.10245025986 TCL: Center of mass = 1.26272336731 0.574839404698 -1.1025811102 TCL: Center of mass = 1.26526727842 0.575006969122 -1.1027079652 TCL: Center of mass = 1.26781119872 0.57517795138 -1.10282980914 TCL: Center of mass = 1.27034566425 0.575348388214 -1.10293927847 TCL: Center of mass = 1.27287874111 0.575505011911 -1.10305647098 TCL: Center of mass = 1.27541607479 0.57567213664 -1.10316877464 TCL: Center of mass = 1.27795684084 0.575851254731 -1.10327270146 TCL: Center of mass = 1.28049718723 0.576027250943 -1.10337306237 TCL: Center of mass = 1.28304048537 0.576211131065 -1.10348210738 TCL: Center of mass = 1.28558613856 0.576393087821 -1.10359498765 TCL: Center of mass = 1.28813174666 0.57657924952 -1.10370461074 TCL: Center of mass = 1.29067698868 0.576765769288 -1.10380923986 TCL: Center of mass = 1.29322139381 0.576956855229 -1.10391027918 TCL: Center of mass = 1.29576376505 0.577142634074 -1.10401619335 TCL: Center of mass = 1.29830482894 0.577329097695 -1.10411772671 TCL: Center of mass = 1.3008484559 0.577506319953 -1.10421182018 TCL: Center of mass = 1.30338648288 0.577676685232 -1.10428388097 TCL: Center of mass = 1.30592024694 0.577854761131 -1.10435861553 TCL: Center of mass = 1.30847123711 0.578026174294 -1.10443105683 TCL: Center of mass = 1.31101333165 0.578191632423 -1.10450935329 TCL: Center of mass = 1.31356849957 0.578363584431 -1.10459869051 TCL: Center of mass = 1.31612963351 0.578524932934 -1.10468078566 TCL: Center of mass = 1.31868603713 0.57868212452 -1.10477025873 TCL: Center of mass = 1.32124260621 0.578842481493 -1.10486607987 TCL: Center of mass = 1.32380130311 0.578995552765 -1.10495590307 TCL: Center of mass = 1.32635847404 0.579148478098 -1.10503879912 TCL: Center of mass = 1.32891603424 0.579299618427 -1.10512234053 TCL: Center of mass = 1.33148141685 0.579444923026 -1.10519949453 TCL: Center of mass = 1.33405708079 0.579599094699 -1.10526921998 TCL: Center of mass = 1.33663491336 0.579763643082 -1.10535230537 TCL: Center of mass = 1.33921733345 0.579931157868 -1.10543711186 TCL: Center of mass = 1.341803522 0.580091947858 -1.10551712358 TCL: Center of mass = 1.34438913669 0.580241259756 -1.10560057357 TIMING: 1400 CPU: 116.096, 0.0824875/step Wall: 141.952, 0.101516/step, 0.524497 hours remaining, 20199 kB of memory in use. ENERGY: 1400 416.8846 691.8904 418.8739 43.3989 -2787.7789 -208.1505 0.0000 0.0000 1096.7590 -328.1226 298.8975 -319.2555 -319.8753 300.2743 -598.2983 -114.1964 64000.0000 -55.6955 -56.3541 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 = 1.34697041718 0.580389701455 -1.10568828915 TCL: Center of mass = 1.34954513519 0.580536388728 -1.1057723611 TCL: Center of mass = 1.35211671646 0.580685481918 -1.10584540126 TCL: Center of mass = 1.35468609967 0.580828681486 -1.10590269188 TCL: Center of mass = 1.35726506192 0.580972029467 -1.105952843 TCL: Center of mass = 1.3598423158 0.581115045776 -1.10599743409 TCL: Center of mass = 1.36240945256 0.581266136087 -1.10603342847 TCL: Center of mass = 1.36498032206 0.581425169597 -1.10606760689 TCL: Center of mass = 1.36754671069 0.581585546567 -1.10610176443 TCL: Center of mass = 1.37010849745 0.581738975345 -1.10612537303 TCL: Center of mass = 1.37266617455 0.581900127379 -1.10614864472 TCL: Center of mass = 1.37522674754 0.582054531571 -1.10616408842 TCL: Center of mass = 1.37778740734 0.582212179471 -1.10617523637 TCL: Center of mass = 1.3803546369 0.582377991436 -1.10619580582 TCL: Center of mass = 1.38292681709 0.582555884459 -1.10620800046 TCL: Center of mass = 1.38549426102 0.582736564179 -1.10620755828 TCL: Center of mass = 1.38806544845 0.582901662788 -1.10621031172 TCL: Center of mass = 1.39064354205 0.583062223333 -1.10621955716 TCL: Center of mass = 1.39322545318 0.583226548628 -1.10621640572 TCL: Center of mass = 1.39580942781 0.583389277288 -1.10620557068 TCL: Center of mass = 1.39839114975 0.583549236468 -1.10617943422 TCL: Center of mass = 1.40097054476 0.583710311065 -1.10615844267 TCL: Center of mass = 1.40355201079 0.583858574844 -1.10613510471 TCL: Center of mass = 1.40612772739 0.584009460611 -1.10611052465 TCL: Center of mass = 1.40871447584 0.584153557667 -1.10609542401 TCL: Center of mass = 1.41130760481 0.584285653316 -1.10608615877 TCL: Center of mass = 1.41389721125 0.584424293964 -1.10607039252 TCL: Center of mass = 1.41648818353 0.584571653457 -1.10605986391 TCL: Center of mass = 1.41909012143 0.584726880027 -1.10605033858 TCL: Center of mass = 1.42170020367 0.584876487726 -1.10603876561 TCL: Center of mass = 1.42431619056 0.585027997568 -1.10602558247 TCL: Center of mass = 1.42693255627 0.585169394539 -1.10599861001 TCL: Center of mass = 1.42954785139 0.585301823709 -1.10598304151 TCL: Center of mass = 1.43216735696 0.585435486552 -1.10595816698 TCL: Center of mass = 1.43478935125 0.585577012089 -1.10593755596 TCL: Center of mass = 1.43740640263 0.585709573704 -1.10591844055 TCL: Center of mass = 1.44001991122 0.585851219349 -1.10589924035 TCL: Center of mass = 1.44264195983 0.586000558792 -1.10588179815 TCL: Center of mass = 1.44526546601 0.586153042891 -1.10588331725 TCL: Center of mass = 1.44790197807 0.586318394831 -1.10589516317 TCL: Center of mass = 1.45052675751 0.586488632009 -1.10593257887 TCL: Center of mass = 1.45315344542 0.586647506828 -1.10596505965 TCL: Center of mass = 1.45578072362 0.586798212426 -1.10599792467 TCL: Center of mass = 1.45840732096 0.586955307413 -1.10603041874 TCL: Center of mass = 1.46103230857 0.587109785806 -1.1060560089 TCL: Center of mass = 1.46366670161 0.587258651419 -1.10608360414 TCL: Center of mass = 1.46630992277 0.587411131539 -1.10610813489 TCL: Center of mass = 1.46895394993 0.587568773213 -1.10614116186 TCL: Center of mass = 1.47160120116 0.58771264324 -1.10617007561 TCL: Center of mass = 1.47424488423 0.587854991229 -1.10619113982 TCL: Center of mass = 1.47689416082 0.587990312104 -1.10621948714 TCL: Center of mass = 1.47954167969 0.588125517898 -1.10623343052 TCL: Center of mass = 1.48219056823 0.588258542127 -1.1062430172 TCL: Center of mass = 1.48484019555 0.588394854481 -1.10626289169 TCL: Center of mass = 1.48750053416 0.588538121037 -1.10627814466 TCL: Center of mass = 1.49016980341 0.588674018568 -1.10630214302 TCL: Center of mass = 1.49284483651 0.588816043165 -1.10633215768 TCL: Center of mass = 1.49551612426 0.588965071473 -1.10635317852 TCL: Center of mass = 1.49819344793 0.589119017825 -1.10637558388 TCL: Center of mass = 1.50086602304 0.589261537592 -1.10639858385 TCL: Center of mass = 1.50353817172 0.589404007728 -1.10642775532 TCL: Center of mass = 1.50621891773 0.589560791832 -1.10646741573 TCL: Center of mass = 1.50890190158 0.589717644763 -1.10650250251 TCL: Center of mass = 1.51157972847 0.589875319534 -1.10653593375 TCL: Center of mass = 1.51425274419 0.59003584605 -1.10656686184 TCL: Center of mass = 1.51692539584 0.590199429114 -1.10660279586 TCL: Center of mass = 1.51958347858 0.590350845842 -1.10664641314 TCL: Center of mass = 1.52224993613 0.590485454814 -1.10668148804 TCL: Center of mass = 1.52490719295 0.590620458847 -1.10670751033 TCL: Center of mass = 1.52755686703 0.590756917551 -1.10672806837 TCL: Center of mass = 1.53020593778 0.590892249075 -1.10674650098 TCL: Center of mass = 1.53285126734 0.591017505409 -1.10677136408 TCL: Center of mass = 1.53548996622 0.591151862086 -1.10679268759 TCL: Center of mass = 1.5381314298 0.591289759127 -1.10681292896 TCL: Center of mass = 1.54077273606 0.591427639381 -1.10683314259 TCL: Center of mass = 1.54340496673 0.59156009475 -1.10684232544 TCL: Center of mass = 1.54603705226 0.591688937111 -1.10685031457 TCL: Center of mass = 1.54866234667 0.591811133822 -1.10686634532 TCL: Center of mass = 1.55129242266 0.591935913645 -1.10687879567 TCL: Center of mass = 1.55392330594 0.592052845895 -1.10689458316 TCL: Center of mass = 1.55656457362 0.592176321067 -1.106916889 TCL: Center of mass = 1.55920125215 0.592288683539 -1.10694538432 TCL: Center of mass = 1.56182328612 0.592386849052 -1.10697149653 TCL: Center of mass = 1.56442974833 0.592476541152 -1.10700741973 TCL: Center of mass = 1.56704239357 0.592576072016 -1.10705062036 TCL: Center of mass = 1.56965247703 0.592671496319 -1.1070962987 TCL: Center of mass = 1.57225476803 0.592759639237 -1.10714027051 TCL: Center of mass = 1.57485287653 0.592846202728 -1.10720002973 TCL: Center of mass = 1.57744350527 0.592934791236 -1.10726917172 TCL: Center of mass = 1.58004100554 0.593024743325 -1.10733365258 TCL: Center of mass = 1.58264186616 0.59311383445 -1.10740208673 TCL: Center of mass = 1.58525584262 0.593203757979 -1.10746889338 TCL: Center of mass = 1.58786860765 0.593296099247 -1.10752425303 TCL: Center of mass = 1.59048548234 0.593386572593 -1.10758418734 TCL: Center of mass = 1.59310563592 0.593483327437 -1.10764053038 TCL: Center of mass = 1.59572991263 0.593592921246 -1.10769608526 TCL: Center of mass = 1.59836488185 0.593706360956 -1.10774663194 TCL: Center of mass = 1.60100363571 0.593820894399 -1.10780756466 TCL: Center of mass = 1.60364590251 0.593928686129 -1.10787647526 TCL: Center of mass = 1.6062900923 0.594042613265 -1.10795764597 TIMING: 1500 CPU: 124.375, 0.0827874/step Wall: 152.111, 0.101587/step, 0.522043 hours remaining, 20204 kB of memory in use. ENERGY: 1500 376.2963 701.6286 416.9809 39.7349 -2802.7665 -197.1508 0.0000 0.0000 1140.4115 -324.8652 310.7940 -316.3127 -315.9423 302.3895 11.2531 46.8456 64000.0000 -142.3378 -142.6079 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 = 1.60893169234 0.594155402996 -1.10803637676 TCL: Center of mass = 1.61158174257 0.594266898218 -1.10811025719 TCL: Center of mass = 1.61422092783 0.594378730076 -1.10818472127 TCL: Center of mass = 1.61684678086 0.594485414532 -1.10825117229 TCL: Center of mass = 1.61947431353 0.594591929891 -1.10831323553 TCL: Center of mass = 1.62210034906 0.594701199469 -1.10837356196 TCL: Center of mass = 1.62472649157 0.594819769025 -1.10843871487 TCL: Center of mass = 1.62735670564 0.594937963899 -1.108503823 TCL: Center of mass = 1.62998280283 0.595049644592 -1.10857230302 TCL: Center of mass = 1.63262065511 0.595182406914 -1.1086464486 TCL: Center of mass = 1.6352628877 0.595307003492 -1.10872362252 TCL: Center of mass = 1.63791638225 0.595427103424 -1.10880240768 TCL: Center of mass = 1.64058718083 0.595549392903 -1.10889687821 TCL: Center of mass = 1.64325446267 0.595678457382 -1.10899100958 TCL: Center of mass = 1.64592458554 0.595800139042 -1.10908477249 TCL: Center of mass = 1.64859120174 0.595914210373 -1.10917649155 TCL: Center of mass = 1.6512425183 0.596018244243 -1.10926125246 TCL: Center of mass = 1.65387753101 0.59610545084 -1.10934508101 TCL: Center of mass = 1.65651269735 0.596192313323 -1.10943866454 TCL: Center of mass = 1.65915270535 0.596271313055 -1.10953438022 TCL: Center of mass = 1.66179583957 0.596345075623 -1.10963489608 TCL: Center of mass = 1.6644576717 0.596415118961 -1.1097438259 TCL: Center of mass = 1.66712438622 0.596487397098 -1.10984876383 TCL: Center of mass = 1.6697870887 0.596563827226 -1.1099655752 TCL: Center of mass = 1.67245083694 0.596639060485 -1.11008156094 TCL: Center of mass = 1.67510975607 0.596703565653 -1.11020217092 TCL: Center of mass = 1.67776838645 0.596776261677 -1.11032582559 TCL: Center of mass = 1.68041622579 0.596842693789 -1.11043885777 TCL: Center of mass = 1.6830603468 0.596921276608 -1.11054494969 TCL: Center of mass = 1.68571046464 0.597003416299 -1.11064998681 TCL: Center of mass = 1.68835130053 0.59709342482 -1.1107497887 TCL: Center of mass = 1.69098093857 0.597192625538 -1.11085564551 TCL: Center of mass = 1.69361908733 0.597296205709 -1.11095528313 TCL: Center of mass = 1.69626058194 0.597390748996 -1.11104750692 TCL: Center of mass = 1.69889218071 0.597497124164 -1.11114339335 TCL: Center of mass = 1.70152586267 0.597610423318 -1.11125244907 TCL: Center of mass = 1.70415139826 0.597740365905 -1.11136062361 TCL: Center of mass = 1.7067818737 0.597868315291 -1.11148390762 TCL: Center of mass = 1.7093974579 0.597985356781 -1.11160698816 TCL: Center of mass = 1.71201227712 0.598100442008 -1.11172792381 TCL: Center of mass = 1.71463113071 0.598215927322 -1.11184443484 TCL: Center of mass = 1.71724378966 0.598337905471 -1.11195708746 TCL: Center of mass = 1.7198545456 0.59846159426 -1.11208222917 TCL: Center of mass = 1.72246237925 0.598578998212 -1.11221091209 TCL: Center of mass = 1.72506536075 0.59869792955 -1.11234172098 TCL: Center of mass = 1.7276598636 0.598821539188 -1.11249058435 TCL: Center of mass = 1.73024694132 0.598947581706 -1.11264535884 TCL: Center of mass = 1.73284178745 0.599077763975 -1.11280179994 TCL: Center of mass = 1.7354346063 0.599205055308 -1.11296576877 TCL: Center of mass = 1.73802059471 0.599331821843 -1.11312035651 TCL: Center of mass = 1.74059851386 0.599465990293 -1.11327301792 TCL: Center of mass = 1.74318093708 0.599600358041 -1.11341667303 TCL: Center of mass = 1.74576801538 0.599728579786 -1.11356821708 TCL: Center of mass = 1.74835836555 0.599851122105 -1.11372029265 TCL: Center of mass = 1.75095703889 0.599982113355 -1.11386609235 TCL: Center of mass = 1.7535529082 0.600110451385 -1.11401105764 TCL: Center of mass = 1.75614766172 0.600231418572 -1.11415016773 TCL: Center of mass = 1.75874063254 0.600359618896 -1.11429126203 TCL: Center of mass = 1.76133143317 0.600490292001 -1.11442622904 TCL: Center of mass = 1.76391374425 0.600619653478 -1.11455760052 TCL: Center of mass = 1.76650829668 0.60075032635 -1.11468014182 TCL: Center of mass = 1.76910200337 0.600882242718 -1.11480156261 TCL: Center of mass = 1.77168955273 0.601018409862 -1.1149255361 TCL: Center of mass = 1.77428145733 0.601152992979 -1.11504640237 TCL: Center of mass = 1.77688165415 0.601287341515 -1.11516985934 TCL: Center of mass = 1.77947097674 0.601421495 -1.11529574567 TCL: Center of mass = 1.78206265709 0.601558506114 -1.11542701795 TCL: Center of mass = 1.78465236383 0.601702809611 -1.11557348036 TCL: Center of mass = 1.78725029551 0.601852254891 -1.11570210507 TCL: Center of mass = 1.78984779277 0.601997222984 -1.1158212901 TCL: Center of mass = 1.79245078167 0.602134385757 -1.11592526412 TCL: Center of mass = 1.79505744527 0.602271792604 -1.11602121031 TCL: Center of mass = 1.79766560436 0.602413591754 -1.11612240983 TCL: Center of mass = 1.80028030717 0.602552952754 -1.11622617952 TCL: Center of mass = 1.80290292546 0.602689203964 -1.11632870521 TCL: Center of mass = 1.80552824602 0.602820227636 -1.11644191043 TCL: Center of mass = 1.80814399109 0.602959582147 -1.11655264635 TCL: Center of mass = 1.81075658458 0.603095374473 -1.1166632481 TCL: Center of mass = 1.81336506684 0.603229740886 -1.11677093314 TCL: Center of mass = 1.8159704705 0.603371121921 -1.11686752029 TCL: Center of mass = 1.8185738317 0.603520517033 -1.11695836017 TCL: Center of mass = 1.82117927382 0.603673129314 -1.11705519898 TCL: Center of mass = 1.82378831984 0.603830206448 -1.11715253212 TCL: Center of mass = 1.82640762188 0.603987077236 -1.11725626663 TCL: Center of mass = 1.82902390938 0.604146837026 -1.11737247965 TCL: Center of mass = 1.83164599117 0.604303670865 -1.11749224643 TCL: Center of mass = 1.83427631171 0.604443228405 -1.11761030526 TCL: Center of mass = 1.83691281227 0.604585466453 -1.1177342036 TCL: Center of mass = 1.83955121262 0.604742280049 -1.11785920284 TCL: Center of mass = 1.8421952589 0.604896763696 -1.11797732102 TCL: Center of mass = 1.84484123305 0.60506279068 -1.11809331255 TCL: Center of mass = 1.84747912846 0.605229713566 -1.11822391844 TCL: Center of mass = 1.85012113801 0.605395822385 -1.11835673849 TCL: Center of mass = 1.85276427571 0.605566242081 -1.11849787576 TCL: Center of mass = 1.85542090915 0.605745846654 -1.11863433811 TCL: Center of mass = 1.85808012379 0.605931899948 -1.11876956284 TCL: Center of mass = 1.86073563257 0.60612737352 -1.11891387114 TCL: Center of mass = 1.86339716595 0.606320424732 -1.11905997896 TCL: Center of mass = 1.8660503236 0.60650482372 -1.11921027956 TCL: Center of mass = 1.86870591708 0.606689309947 -1.11936574473 TIMING: 1600 CPU: 132.598, 0.0822275/step Wall: 162.199, 0.100889/step, 0.515654 hours remaining, 20206 kB of memory in use. ENERGY: 1600 376.1743 710.3061 416.6868 49.7343 -2785.2107 -209.7182 0.0000 0.0000 1134.7694 -307.2580 309.2564 -299.0740 -297.3626 307.4382 906.5242 734.4140 64000.0000 115.1923 114.1060 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 = 1.87137196359 0.606863160854 -1.11953266352 TCL: Center of mass = 1.87404253492 0.607037076176 -1.11970298269 TCL: Center of mass = 1.87670863351 0.607211809731 -1.11986730557 TCL: Center of mass = 1.87937810152 0.607384457094 -1.12002369791 TCL: Center of mass = 1.8820550491 0.607568060029 -1.12018318946 TCL: Center of mass = 1.88472633031 0.607749601973 -1.12033855114 TCL: Center of mass = 1.88740264354 0.60791854696 -1.12049460066 TCL: Center of mass = 1.89008062473 0.608097901022 -1.12065533466 TCL: Center of mass = 1.89275350858 0.608278960129 -1.12081593607 TCL: Center of mass = 1.89541939878 0.608463976885 -1.12097402727 TCL: Center of mass = 1.89808889398 0.608650189287 -1.12112252723 TCL: Center of mass = 1.90075147198 0.608817077911 -1.12126305024 TCL: Center of mass = 1.90341170562 0.60898823986 -1.12140426758 TCL: Center of mass = 1.90606984727 0.609166289995 -1.1215509669 TCL: Center of mass = 1.90872423071 0.609350304055 -1.12169482146 TCL: Center of mass = 1.91137073993 0.609525585931 -1.12183797132 TCL: Center of mass = 1.91402010671 0.609704028568 -1.12196992825 TCL: Center of mass = 1.91667537136 0.609873710303 -1.12210992084 TCL: Center of mass = 1.91933554455 0.610050879537 -1.12224943483 TCL: Center of mass = 1.92200464029 0.610229931784 -1.12238737791 TCL: Center of mass = 1.92466831086 0.610415785913 -1.12251957523 TCL: Center of mass = 1.92733621765 0.610598159393 -1.12264741745 TCL: Center of mass = 1.93001244058 0.61077064368 -1.12277373139 TCL: Center of mass = 1.93268497638 0.610930143442 -1.12289997885 TCL: Center of mass = 1.93536438561 0.611078471426 -1.12301982149 TCL: Center of mass = 1.9380497137 0.611221229013 -1.12312355165 TCL: Center of mass = 1.9407246034 0.61136283001 -1.12324161991 TCL: Center of mass = 1.94338946997 0.611507345185 -1.12336065567 TCL: Center of mass = 1.94606363759 0.611648339456 -1.12347951552 TCL: Center of mass = 1.94873535551 0.61177328138 -1.12359591913 TCL: Center of mass = 1.9513999461 0.611896370361 -1.12371597103 TCL: Center of mass = 1.95407112516 0.612006168865 -1.12383397665 TCL: Center of mass = 1.95672827792 0.612108841839 -1.12396331714 TCL: Center of mass = 1.95938191561 0.612210553676 -1.12409573272 TCL: Center of mass = 1.96203824515 0.612310598353 -1.12422629177 TCL: Center of mass = 1.96468855601 0.612409120798 -1.12436082241 TCL: Center of mass = 1.9673470495 0.612516903743 -1.12450808822 TCL: Center of mass = 1.97000658354 0.61262144016 -1.12465519786 TCL: Center of mass = 1.97266730262 0.612720214581 -1.12479850074 TCL: Center of mass = 1.97531917072 0.612820094403 -1.12493303221 TCL: Center of mass = 1.97796999016 0.61291013559 -1.12506308742 TCL: Center of mass = 1.98061735012 0.613017567326 -1.12517855497 TCL: Center of mass = 1.98326616414 0.613130452714 -1.12529530581 TCL: Center of mass = 1.98592960193 0.613239739598 -1.12542077622 TCL: Center of mass = 1.98858847886 0.613330494807 -1.12554569959 TCL: Center of mass = 1.99124776799 0.613425232034 -1.12568094885 TCL: Center of mass = 1.99392401476 0.613529179161 -1.12583004137 TCL: Center of mass = 1.99660405896 0.613630120092 -1.12599374435 TCL: Center of mass = 1.99928596348 0.61373212527 -1.12614797665 TCL: Center of mass = 2.00196977953 0.613835849438 -1.12629796665 TCL: Center of mass = 2.00465045096 0.613939397588 -1.12644339772 TCL: Center of mass = 2.00733508288 0.614034680085 -1.12659050333 TCL: Center of mass = 2.01002504405 0.61412972267 -1.12672819923 TCL: Center of mass = 2.01272539958 0.614221632523 -1.12688251367 TCL: Center of mass = 2.01541947091 0.614303345757 -1.12704811353 TCL: Center of mass = 2.01810063838 0.614385279604 -1.12721472652 TCL: Center of mass = 2.02078141149 0.61445490029 -1.12737915779 TCL: Center of mass = 2.02346269485 0.614527831369 -1.12754119838 TCL: Center of mass = 2.02614607211 0.614605091165 -1.12771294766 TCL: Center of mass = 2.02882055568 0.614673869541 -1.12787213137 TCL: Center of mass = 2.03149214092 0.614743032819 -1.12804024875 TCL: Center of mass = 2.03417744898 0.614809057979 -1.12821600322 TCL: Center of mass = 2.03686187041 0.614876005701 -1.12839201133 TCL: Center of mass = 2.03955311176 0.614946508059 -1.12856634324 TCL: Center of mass = 2.0422427211 0.615015594455 -1.12874196409 TCL: Center of mass = 2.04492222915 0.615089018176 -1.12891818816 TCL: Center of mass = 2.04759769366 0.615164690147 -1.12908401341 TCL: Center of mass = 2.05027775753 0.615248032642 -1.12926540614 TCL: Center of mass = 2.05296142384 0.615323851035 -1.12945327778 TCL: Center of mass = 2.05565002879 0.615400877697 -1.1296338296 TCL: Center of mass = 2.05833942051 0.615476444055 -1.12981329987 TCL: Center of mass = 2.06103078291 0.615553130019 -1.12998648432 TCL: Center of mass = 2.06372616459 0.615619995952 -1.1301720166 TCL: Center of mass = 2.06641294254 0.615681186053 -1.13035570029 TCL: Center of mass = 2.06910587472 0.615746644832 -1.13054599285 TCL: Center of mass = 2.07180612941 0.615806622918 -1.13073046917 TCL: Center of mass = 2.07450701563 0.615865524188 -1.13090425929 TCL: Center of mass = 2.0772097656 0.615922862712 -1.13108331283 TCL: Center of mass = 2.07992765871 0.615973035661 -1.13126098365 TCL: Center of mass = 2.08264030536 0.616031409893 -1.13144289004 TCL: Center of mass = 2.0853695216 0.616079595687 -1.13162125536 TCL: Center of mass = 2.08810166488 0.616133236947 -1.13180817965 TCL: Center of mass = 2.090835736 0.616185462025 -1.13198657721 TCL: Center of mass = 2.09358651055 0.616242306861 -1.13215559076 TCL: Center of mass = 2.09634366621 0.616298296446 -1.13232252235 TCL: Center of mass = 2.09909907521 0.616344902657 -1.13248257093 TCL: Center of mass = 2.10186467005 0.616381627943 -1.13262630222 TCL: Center of mass = 2.10463025893 0.616425994911 -1.13277497098 TCL: Center of mass = 2.10740064234 0.616474388274 -1.13292357098 TCL: Center of mass = 2.11017519363 0.616528610092 -1.13307808823 TCL: Center of mass = 2.11293826336 0.616578629305 -1.13323296628 TCL: Center of mass = 2.1157112161 0.616614409379 -1.13339129249 TCL: Center of mass = 2.11847467915 0.616670476972 -1.13354680237 TCL: Center of mass = 2.12124246936 0.616709110777 -1.13369845088 TCL: Center of mass = 2.12401995331 0.616756342472 -1.13385698032 TCL: Center of mass = 2.12679019368 0.616808528664 -1.13401525348 TCL: Center of mass = 2.129565155 0.616855840083 -1.13417902796 TCL: Center of mass = 2.13233345856 0.616907133619 -1.13434992264 TCL: Center of mass = 2.13509855072 0.616958747957 -1.13452867124 TCL: Center of mass = 2.13786831288 0.617006314455 -1.1347163008 TIMING: 1700 CPU: 140.9, 0.0830174/step Wall: 172.454, 0.10255/step, 0.521297 hours remaining, 20212 kB of memory in use. ENERGY: 1700 397.6665 674.2081 420.5550 43.2343 -2776.0644 -210.0039 0.0000 0.0000 1129.0815 -321.3230 307.7063 -312.2736 -313.5638 306.2828 107.0320 -87.2479 64000.0000 281.5200 279.8510 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 = 2.14063997493 0.617048308071 -1.13490001149 TCL: Center of mass = 2.14341394608 0.617078493798 -1.13508059803 TCL: Center of mass = 2.14619224631 0.617103382302 -1.13525422341 TCL: Center of mass = 2.14897492717 0.617112294537 -1.13542098016 TCL: Center of mass = 2.15175147206 0.617118629882 -1.13558277122 TCL: Center of mass = 2.15452916922 0.617112128547 -1.13576468549 TCL: Center of mass = 2.15730027672 0.617107314377 -1.13594317284 TCL: Center of mass = 2.16006576884 0.617091980987 -1.13611751552 TCL: Center of mass = 2.16282322217 0.617078483222 -1.13631050747 TCL: Center of mass = 2.16558679855 0.617070579683 -1.13649439765 TCL: Center of mass = 2.16835048337 0.617060582404 -1.13668771754 TCL: Center of mass = 2.17112182367 0.617046101318 -1.13688401627 TCL: Center of mass = 2.17387961506 0.617035491113 -1.13707834742 TCL: Center of mass = 2.17664723873 0.617019912849 -1.13727530266 TCL: Center of mass = 2.17941430173 0.617004230105 -1.13746484722 TCL: Center of mass = 2.18217138012 0.616983631868 -1.13765696224 TCL: Center of mass = 2.18492523964 0.616963733512 -1.13784798399 TCL: Center of mass = 2.18767805334 0.616958585687 -1.13805282559 TCL: Center of mass = 2.19044137944 0.616968858315 -1.13826275875 TCL: Center of mass = 2.1932019662 0.616991502213 -1.13847654093 TCL: Center of mass = 2.19596531742 0.617021493086 -1.13869002415 TCL: Center of mass = 2.19873014767 0.617050782986 -1.13890459696 TCL: Center of mass = 2.20149052886 0.617090630986 -1.1391182172 TCL: Center of mass = 2.20425722552 0.617137486536 -1.13935285418 TCL: Center of mass = 2.20701957335 0.617183996467 -1.13956718665 TCL: Center of mass = 2.20977705679 0.617224924365 -1.13977805418 TCL: Center of mass = 2.21253994896 0.617260843114 -1.13999082759 TCL: Center of mass = 2.21531256564 0.617297304637 -1.14019885026 TCL: Center of mass = 2.21808446321 0.617334885448 -1.1404074796 TCL: Center of mass = 2.22084739831 0.617356286444 -1.14060412772 TCL: Center of mass = 2.22361120227 0.617383243786 -1.14079783652 TCL: Center of mass = 2.22637908349 0.61740654877 -1.14100157012 TCL: Center of mass = 2.22914907469 0.617424999625 -1.14121188152 TCL: Center of mass = 2.23191575276 0.617446220355 -1.1414207169 TCL: Center of mass = 2.23468032675 0.617459779357 -1.14162083718 TCL: Center of mass = 2.2374474271 0.61746938273 -1.14180827497 TCL: Center of mass = 2.24021205118 0.617471752346 -1.14198856494 TCL: Center of mass = 2.24297217337 0.617486505044 -1.14216186554 TCL: Center of mass = 2.24574009761 0.61750337913 -1.14234416902 TCL: Center of mass = 2.24850501284 0.617505164206 -1.14253672444 TCL: Center of mass = 2.2512684153 0.617504071494 -1.14273119804 TCL: Center of mass = 2.25403802889 0.617503626383 -1.1429319954 TCL: Center of mass = 2.25681212256 0.617513831568 -1.14312907783 TCL: Center of mass = 2.25957848544 0.617531945346 -1.14332459842 TCL: Center of mass = 2.26234464898 0.617556359984 -1.14352781101 TCL: Center of mass = 2.26510810898 0.617581155739 -1.14373595994 TCL: Center of mass = 2.26785862189 0.61760900772 -1.14394255565 TCL: Center of mass = 2.27061424071 0.617647558611 -1.1441447437 TCL: Center of mass = 2.27337329247 0.617699519156 -1.14435134514 TCL: Center of mass = 2.27612990591 0.617743723527 -1.14456025291 TCL: Center of mass = 2.27888917194 0.617794371997 -1.14477168486 TCL: Center of mass = 2.28163996175 0.617844537122 -1.14500063972 TCL: Center of mass = 2.28439079283 0.617900303622 -1.14522727762 TCL: Center of mass = 2.28714666048 0.617961758255 -1.14544938214 TCL: Center of mass = 2.28989076314 0.618032636325 -1.14566365583 TCL: Center of mass = 2.29262959987 0.618102526088 -1.14587466764 TCL: Center of mass = 2.29537083291 0.618178480161 -1.14606899466 TCL: Center of mass = 2.29810214382 0.61825430282 -1.14625883863 TCL: Center of mass = 2.30083931188 0.618336543391 -1.14643639522 TCL: Center of mass = 2.30357355028 0.618419540249 -1.14661846288 TCL: Center of mass = 2.30631249273 0.61849925643 -1.14681928883 TCL: Center of mass = 2.30904482689 0.618582261715 -1.14702898231 TCL: Center of mass = 2.3117816933 0.618661323092 -1.14723533199 TCL: Center of mass = 2.31451834081 0.618738651289 -1.14744224059 TCL: Center of mass = 2.31725041227 0.618817132352 -1.14765228517 TCL: Center of mass = 2.31997914831 0.618897591664 -1.14786181954 TCL: Center of mass = 2.32270806988 0.618977771059 -1.14807116433 TCL: Center of mass = 2.32543598741 0.61906225007 -1.14829082441 TCL: Center of mass = 2.32816233991 0.619150312358 -1.14851771906 TCL: Center of mass = 2.33088392919 0.619241684821 -1.14874785622 TCL: Center of mass = 2.33360582339 0.619326351473 -1.1489705152 TCL: Center of mass = 2.33633243452 0.619409348926 -1.14919084768 TCL: Center of mass = 2.3390572684 0.619495149321 -1.14939874316 TCL: Center of mass = 2.34178790105 0.619576928193 -1.14961366582 TCL: Center of mass = 2.34451830078 0.619656187502 -1.14982689767 TCL: Center of mass = 2.34723596295 0.61973551951 -1.15003219085 TCL: Center of mass = 2.34993498997 0.619815750904 -1.15023468968 TCL: Center of mass = 2.35263009398 0.619904744199 -1.15042934865 TCL: Center of mass = 2.355325748 0.620002366939 -1.15063147119 TCL: Center of mass = 2.3580170036 0.620092862399 -1.15084745848 TCL: Center of mass = 2.36070216869 0.620190381855 -1.15105966382 TCL: Center of mass = 2.36339054114 0.620309215267 -1.15127490286 TCL: Center of mass = 2.36609302958 0.620430583567 -1.15148688271 TCL: Center of mass = 2.36880326518 0.620545173816 -1.15170641029 TCL: Center of mass = 2.37151089286 0.620650606519 -1.15193487647 TCL: Center of mass = 2.37421587237 0.620752961285 -1.15215318936 TCL: Center of mass = 2.37692810616 0.620857811547 -1.1523613695 TCL: Center of mass = 2.37963555384 0.620961769047 -1.15257915354 TCL: Center of mass = 2.38233348082 0.621062731762 -1.1527807379 TCL: Center of mass = 2.3850238731 0.621173686248 -1.15298575801 TCL: Center of mass = 2.3877150155 0.621277939351 -1.15319222298 TCL: Center of mass = 2.39040744009 0.621379441222 -1.15340055187 TCL: Center of mass = 2.3930892287 0.621488619493 -1.15359792587 TCL: Center of mass = 2.39577670511 0.621615927352 -1.15378881913 TCL: Center of mass = 2.39846462191 0.621744618669 -1.153982674 TCL: Center of mass = 2.4011456802 0.621878969909 -1.15418451075 TCL: Center of mass = 2.40383271276 0.622023743425 -1.15438531114 TCL: Center of mass = 2.40651160248 0.62217348068 -1.15458773362 TCL: Center of mass = 2.40919742756 0.622313805878 -1.15479508834 TCL: Center of mass = 2.41187862793 0.622467038798 -1.15500734392 TIMING: 1800 CPU: 149.339, 0.0843972/step Wall: 217.891, 0.454365/step, 2.29707 hours remaining, 20214 kB of memory in use. ENERGY: 1800 416.5450 643.7384 414.8926 42.3118 -2759.7154 -205.7416 0.0000 0.0000 1116.5221 -331.4471 304.2835 -322.4996 -323.3607 305.8889 64.0696 33.4629 64000.0000 -27.9433 -25.8660 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 = 2.41456104176 0.622621316657 -1.15521589848 TCL: Center of mass = 2.41723419419 0.622779089802 -1.15543114328 TCL: Center of mass = 2.41992391516 0.622938960633 -1.15565630946 TCL: Center of mass = 2.42260486748 0.623107111293 -1.15588409597 TCL: Center of mass = 2.42528314209 0.623264688672 -1.15611028436 TCL: Center of mass = 2.42797392074 0.623424850938 -1.15632270933 TCL: Center of mass = 2.43066289043 0.623573598781 -1.15653045956 TCL: Center of mass = 2.43335046562 0.623728728571 -1.15673661238 TCL: Center of mass = 2.43603651831 0.623896632833 -1.15694340387 TCL: Center of mass = 2.4387220662 0.624064260871 -1.15715623799 TCL: Center of mass = 2.44140675897 0.624235862039 -1.15736359597 TCL: Center of mass = 2.44408917238 0.624405377677 -1.1575653599 TCL: Center of mass = 2.44676762643 0.624570725217 -1.15776798215 TCL: Center of mass = 2.44945165801 0.624727430113 -1.15796436774 TCL: Center of mass = 2.4521278467 0.624883376878 -1.15816535398 TCL: Center of mass = 2.45482313549 0.625044632046 -1.1583525704 TCL: Center of mass = 2.45751512289 0.62520793076 -1.15854210377 TCL: Center of mass = 2.46021305834 0.625358732147 -1.15873082224 TCL: Center of mass = 2.46291961212 0.625513157645 -1.15891820005 TCL: Center of mass = 2.46563012001 0.625659995519 -1.15909898079 TCL: Center of mass = 2.46832651533 0.625808988022 -1.15927426569 TCL: Center of mass = 2.47101508975 0.62595497145 -1.15944319141 TCL: Center of mass = 2.47369716704 0.626094777728 -1.15961435584 TCL: Center of mass = 2.47637469796 0.626239254709 -1.1597864817 TCL: Center of mass = 2.47905324785 0.626394103418 -1.15997318916 TCL: Center of mass = 2.48173446077 0.6265593841 -1.16016488682 TCL: Center of mass = 2.48442422367 0.62672162597 -1.16035425284 TCL: Center of mass = 2.48711649804 0.626888093815 -1.16054610156 TCL: Center of mass = 2.48980209719 0.627058030026 -1.16072407275 TCL: Center of mass = 2.49249377496 0.627225525184 -1.16091474046 TCL: Center of mass = 2.49519097554 0.627395310377 -1.16109073842 TCL: Center of mass = 2.49788943977 0.627561948159 -1.16126601769 TCL: Center of mass = 2.50059331481 0.627717171095 -1.16144262083 TCL: Center of mass = 2.50330120009 0.627868791018 -1.16161902486 TCL: Center of mass = 2.50601156509 0.628022087708 -1.16179775928 TCL: Center of mass = 2.50871100882 0.628175921704 -1.16197490771 TCL: Center of mass = 2.51141662403 0.628353266258 -1.16214451134 TCL: Center of mass = 2.51412284921 0.628537465838 -1.16231547649 TCL: Center of mass = 2.516822905 0.628726730231 -1.16248482084 TCL: Center of mass = 2.51952177025 0.628904526268 -1.16265677035 TCL: Center of mass = 2.52222841026 0.629070051963 -1.1628403464 TCL: Center of mass = 2.52493139379 0.629234678042 -1.16302258955 TCL: Center of mass = 2.52764005518 0.629406753388 -1.16319427141 TCL: Center of mass = 2.5303563238 0.629588967311 -1.16337270601 TCL: Center of mass = 2.53308287227 0.629768568421 -1.16354846907 TCL: Center of mass = 2.53581761227 0.629943490846 -1.16371953848 TCL: Center of mass = 2.53854622273 0.630116835689 -1.16388213849 TCL: Center of mass = 2.54127753567 0.630284828234 -1.16404364798 TCL: Center of mass = 2.54400584598 0.630455609856 -1.16419195493 TCL: Center of mass = 2.54675135411 0.630624075227 -1.16433201203 TCL: Center of mass = 2.5494980685 0.630787936143 -1.16446383363 TCL: Center of mass = 2.55224973025 0.630954294487 -1.16460228267 TCL: Center of mass = 2.55500550884 0.631130888258 -1.16474198529 TCL: Center of mass = 2.5577721392 0.63130785621 -1.16489218274 TCL: Center of mass = 2.56053802146 0.631490126782 -1.16504764982 TCL: Center of mass = 2.56330454081 0.631662883171 -1.16519343443 TCL: Center of mass = 2.56606626326 0.631825598974 -1.16534939092 TCL: Center of mass = 2.56882725937 0.631979924146 -1.16550077588 TCL: Center of mass = 2.57159173884 0.632136575004 -1.16565647716 TCL: Center of mass = 2.57436201785 0.632292591669 -1.16581961755 TCL: Center of mass = 2.57712593716 0.63243311512 -1.16598665167 TCL: Center of mass = 2.57988391863 0.63257150121 -1.1661471065 TCL: Center of mass = 2.58264204716 0.63270969024 -1.16631984698 TCL: Center of mass = 2.58540920277 0.632846221008 -1.16648762367 TCL: Center of mass = 2.58818315189 0.63298049733 -1.16663957047 TCL: Center of mass = 2.59096464802 0.633118977692 -1.16679430507 TCL: Center of mass = 2.59375008344 0.633251964974 -1.16695498405 TCL: Center of mass = 2.59653639173 0.633394988112 -1.16710002959 TCL: Center of mass = 2.5993368409 0.633546749759 -1.1672380265 TCL: Center of mass = 2.60213557458 0.633696429456 -1.16736626375 TCL: Center of mass = 2.60493425155 0.633852470082 -1.1675003902 TCL: Center of mass = 2.60773203809 0.634005427692 -1.16763105305 TCL: Center of mass = 2.61053096008 0.634166569422 -1.16776991487 TCL: Center of mass = 2.61332705138 0.634327475168 -1.16792029255 TCL: Center of mass = 2.61611999479 0.634490657836 -1.16806983732 TCL: Center of mass = 2.61891712631 0.634658302073 -1.16821634862 TCL: Center of mass = 2.62172341829 0.634824454086 -1.16836082049 TCL: Center of mass = 2.62452351705 0.634984441882 -1.16850908736 TCL: Center of mass = 2.62733081234 0.635133141864 -1.16864365235 TCL: Center of mass = 2.63013649381 0.635287928283 -1.1687622942 TCL: Center of mass = 2.63293215015 0.635446436444 -1.16888050025 TCL: Center of mass = 2.63574630047 0.635608506505 -1.16900434038 TCL: Center of mass = 2.63856021521 0.635777357155 -1.1691223245 TCL: Center of mass = 2.64137245557 0.6359463044 -1.16923596864 TCL: Center of mass = 2.64418584714 0.636122402489 -1.16934280679 TCL: Center of mass = 2.64698919853 0.636297766063 -1.16944383539 TCL: Center of mass = 2.64980318975 0.636465299323 -1.16954983887 TCL: Center of mass = 2.65261491986 0.636622435153 -1.16965513414 TCL: Center of mass = 2.65541914105 0.636785148048 -1.16975607473 TCL: Center of mass = 2.65822665323 0.636949599422 -1.16987456513 TCL: Center of mass = 2.66102251416 0.637119458215 -1.16999506733 TCL: Center of mass = 2.66381776571 0.637283671775 -1.17013068379 TCL: Center of mass = 2.66661819984 0.637436337829 -1.1702710803 TCL: Center of mass = 2.66941289527 0.637589809771 -1.17041629936 TCL: Center of mass = 2.67220688586 0.637737766413 -1.17056932216 TCL: Center of mass = 2.67501551269 0.637877484043 -1.1707178651 TCL: Center of mass = 2.67783887606 0.63801034054 -1.17085471704 TCL: Center of mass = 2.68065850905 0.638139240956 -1.17099316917 TCL: Center of mass = 2.68348510807 0.638268756206 -1.17112361447 TCL: Center of mass = 2.68630569774 0.638412395822 -1.17124920082 TIMING: 1900 CPU: 157.647, 0.0830774/step Wall: 192.772, -0.251185/step, -1.2629 hours remaining, 20220 kB of memory in use. ENERGY: 1900 398.4649 664.2221 409.3298 48.4147 -2741.8692 -210.8559 0.0000 0.0000 1123.2254 -309.0682 306.1103 -299.9580 -301.8618 303.7644 111.8757 74.8227 64000.0000 82.2449 81.6472 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 = 2.68911748499 0.638554668531 -1.17137831745 TCL: Center of mass = 2.69192486698 0.638698088163 -1.17150453243 TCL: Center of mass = 2.69473377336 0.638841080713 -1.17164022402 TCL: Center of mass = 2.69754079216 0.638986861391 -1.17179086788 TCL: Center of mass = 2.70034933603 0.639143035756 -1.17194246386 TCL: Center of mass = 2.70316663149 0.639297757915 -1.17209671568 TCL: Center of mass = 2.70598214651 0.639456837748 -1.17224618831 TCL: Center of mass = 2.7087861321 0.639616458345 -1.17239923028 TCL: Center of mass = 2.71158499426 0.639779044152 -1.17256411875 TCL: Center of mass = 2.71438957071 0.639948064533 -1.17272677815 TCL: Center of mass = 2.71720304275 0.64011789444 -1.17289911176 TCL: Center of mass = 2.72000334646 0.640290314639 -1.17306888623 TCL: Center of mass = 2.72280733621 0.640464473882 -1.1732305918 TCL: Center of mass = 2.72561671652 0.640624306271 -1.17339751275 TCL: Center of mass = 2.72843330052 0.640776231113 -1.17357880677 TCL: Center of mass = 2.73124011113 0.640937734316 -1.17375233454 TCL: Center of mass = 2.73403737693 0.641102177826 -1.17392923263 TCL: Center of mass = 2.73684585514 0.641263028338 -1.17409839042 TCL: Center of mass = 2.7396540536 0.641418097398 -1.17426614533 TCL: Center of mass = 2.74247278825 0.641574644977 -1.1744343389 TCL: Center of mass = 2.7452963098 0.641742924215 -1.17460362617 TCL: Center of mass = 2.74811953618 0.641911469593 -1.17476933145 TCL: Center of mass = 2.75093672405 0.642080153362 -1.1749400611 TCL: Center of mass = 2.7537495634 0.642238062657 -1.17511467849 TCL: Center of mass = 2.7565548217 0.642400245964 -1.17529809323 TCL: Center of mass = 2.75937215863 0.642562043266 -1.17547645014 TCL: Center of mass = 2.76219683039 0.6427209818 -1.17563671682 TCL: Center of mass = 2.76502086148 0.64289840169 -1.17579798745 TCL: Center of mass = 2.76785626178 0.643081168536 -1.17595286811 TCL: Center of mass = 2.77068886574 0.643269927759 -1.17611867516 TCL: Center of mass = 2.77352220821 0.643463691449 -1.17628865564 TCL: Center of mass = 2.77634351088 0.643657669816 -1.17644837056 TCL: Center of mass = 2.77915780796 0.643854782349 -1.17661135504 TCL: Center of mass = 2.78196081562 0.644047877854 -1.17676648528 TCL: Center of mass = 2.78476863318 0.644238538895 -1.17691619665 TCL: Center of mass = 2.78756641908 0.644433842088 -1.17706951008 TCL: Center of mass = 2.79036514791 0.64463068059 -1.17722888442 TCL: Center of mass = 2.79316364474 0.64483024076 -1.17738452664 TCL: Center of mass = 2.79596914599 0.645032405762 -1.17753519871 TCL: Center of mass = 2.79876941721 0.645243721173 -1.17767874019 TCL: Center of mass = 2.8015610122 0.645460103603 -1.1778168171 TCL: Center of mass = 2.80435647539 0.645662207742 -1.17794620633 TCL: Center of mass = 2.80715645402 0.64585621585 -1.17807821882 TCL: Center of mass = 2.80997046949 0.646051728323 -1.17820757795 TCL: Center of mass = 2.81279086778 0.646235206878 -1.17832230563 TCL: Center of mass = 2.81560586317 0.646421140041 -1.17843817129 TCL: Center of mass = 2.81842203567 0.646594508667 -1.17855966829 TCL: Center of mass = 2.82125418314 0.646763027114 -1.17867357883 TCL: Center of mass = 2.82408849692 0.646934256526 -1.17878479695 TCL: Center of mass = 2.82691675692 0.647097832429 -1.17889119405 TCL: Center of mass = 2.82975438624 0.647248337202 -1.17899495608 TCL: Center of mass = 2.83257988552 0.647400326763 -1.17911144955 TCL: Center of mass = 2.83540446542 0.647553403864 -1.17923596431 TCL: Center of mass = 2.83823132427 0.647701533456 -1.17936469399 TCL: Center of mass = 2.84106981856 0.647863112155 -1.17948751497 TCL: Center of mass = 2.84390287346 0.648019230914 -1.1796051326 TCL: Center of mass = 2.84673304096 0.648171157751 -1.17971856859 TCL: Center of mass = 2.84956328679 0.648320079792 -1.17982614534 TCL: Center of mass = 2.85240294988 0.648458328105 -1.17993794977 TCL: Center of mass = 2.85524499926 0.648604317461 -1.18005223972 TCL: Center of mass = 2.85808601155 0.648753447582 -1.18016225752 TCL: Center of mass = 2.86091375146 0.648894251214 -1.18027246612 TCL: Center of mass = 2.86373191379 0.649032429218 -1.18038882936 TCL: Center of mass = 2.86654848635 0.649179241235 -1.18050170794 TCL: Center of mass = 2.86936894149 0.649322255993 -1.180625032 TCL: Center of mass = 2.87218574492 0.649461585951 -1.18073892573 TCL: Center of mass = 2.87500343495 0.649598631645 -1.1808592689 TCL: Center of mass = 2.87782825157 0.649731680393 -1.18097482082 TCL: Center of mass = 2.88066090581 0.649862982694 -1.18108972805 TCL: Center of mass = 2.88347881576 0.649997162681 -1.18120433414 TCL: Center of mass = 2.88631127035 0.650130841061 -1.18133204911 TCL: Center of mass = 2.88913964679 0.650252928885 -1.18146067766 TCL: Center of mass = 2.89197462554 0.650391074109 -1.18158577574 TCL: Center of mass = 2.89481542956 0.650521331616 -1.18171990418 TCL: Center of mass = 2.89766014971 0.650651438973 -1.18185430821 TCL: Center of mass = 2.90050152131 0.650778544082 -1.18199713785 TCL: Center of mass = 2.90333836374 0.650900741797 -1.18213228564 TCL: Center of mass = 2.90616434181 0.651033787382 -1.18227007963 TCL: Center of mass = 2.90898700537 0.651172433961 -1.18241320075 TCL: Center of mass = 2.91181422059 0.651299195959 -1.18255949198 TCL: Center of mass = 2.91462402608 0.651423237314 -1.18269752831 TCL: Center of mass = 2.9174298013 0.651548395694 -1.1828366836 TCL: Center of mass = 2.92023078625 0.651671616684 -1.18297887344 TCL: Center of mass = 2.92303884931 0.651795733821 -1.18312689863 TCL: Center of mass = 2.92584236874 0.651929008083 -1.18327194391 TCL: Center of mass = 2.92864642433 0.652063696268 -1.18341627989 TCL: Center of mass = 2.93144708522 0.652199238463 -1.18356164568 TCL: Center of mass = 2.93423219796 0.65233445373 -1.18372179395 TCL: Center of mass = 2.93701944528 0.652463757317 -1.18387264837 TCL: Center of mass = 2.93981486518 0.652589970106 -1.18402004984 TCL: Center of mass = 2.94262112719 0.65270724303 -1.18418061614 TCL: Center of mass = 2.94541742056 0.652809725547 -1.18435511171 TCL: Center of mass = 2.94821305576 0.652904491068 -1.18454135181 TCL: Center of mass = 2.95099939323 0.653001686007 -1.18473396109 TCL: Center of mass = 2.95378182998 0.653087938772 -1.18492272018 TCL: Center of mass = 2.9565846735 0.653154829881 -1.18509698272 TCL: Center of mass = 2.959392039 0.65322791961 -1.18526161997 TCL: Center of mass = 2.96220287013 0.653305263561 -1.18542946706 TCL: Center of mass = 2.9650159717 0.653384944313 -1.1855953484 TCL: Center of mass = 2.96782988733 0.653462063406 -1.18576139007 TIMING: 2000 CPU: 165.916, 0.0826874/step Wall: 202.912, 0.1014/step, 0.507001 hours remaining, 20222 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 397.0451 685.1435 412.0765 48.5475 -2786.1938 -198.7603 0.0000 0.0000 1120.4566 -321.6850 305.3558 -313.1150 -313.0501 305.1452 93.9836 409.1256 64000.0000 -157.7486 -155.4174 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 = 2.97064855026 0.653523797246 -1.18592875059 TCL: Center of mass = 2.97347337224 0.653585411418 -1.18610311197 TCL: Center of mass = 2.97630836239 0.653641547081 -1.18628747172 TCL: Center of mass = 2.97914232416 0.65369975583 -1.18646628101 TCL: Center of mass = 2.98198757188 0.653761972216 -1.18664800702 TCL: Center of mass = 2.98482107785 0.653822944263 -1.18683813081 TCL: Center of mass = 2.98764678284 0.653904283834 -1.18703583598 TCL: Center of mass = 2.99047079374 0.65398052357 -1.18723003102 TCL: Center of mass = 2.99329040471 0.654062117053 -1.18742263892 TCL: Center of mass = 2.99610523369 0.654146345225 -1.18762208241 TCL: Center of mass = 2.99893713648 0.654227560844 -1.18782535056 TCL: Center of mass = 3.0017622911 0.654315582885 -1.18801887992 TCL: Center of mass = 3.00458905098 0.654406138144 -1.18822842672 TCL: Center of mass = 3.00741260305 0.654510202866 -1.18844540491 TCL: Center of mass = 3.01023014848 0.654612222502 -1.18866256755 TCL: Center of mass = 3.01304908517 0.654702938609 -1.1888836859 TCL: Center of mass = 3.01587290494 0.654780535523 -1.18910416566 TCL: Center of mass = 3.0186936114 0.654844825466 -1.18931839169 TCL: Center of mass = 3.02151420182 0.654904616599 -1.18954178176 TCL: Center of mass = 3.02433839986 0.654975162916 -1.18976702536 TCL: Center of mass = 3.0271674718 0.655043959067 -1.19000546901 TCL: Center of mass = 3.02997801243 0.655116560388 -1.19025142115 TCL: Center of mass = 3.0327843477 0.655183789369 -1.19050280096 TCL: Center of mass = 3.03559280906 0.655252455826 -1.19075193674 TCL: Center of mass = 3.03839799569 0.655311540887 -1.19099796751 TCL: Center of mass = 3.04120240672 0.655372399595 -1.19124243086 TCL: Center of mass = 3.04400968943 0.655431951237 -1.19147294779 TCL: Center of mass = 3.04681446951 0.65549346242 -1.1917061659 TCL: Center of mass = 3.04963117002 0.655548548098 -1.19194470785 TCL: Center of mass = 3.05245064507 0.655603172011 -1.19218095298 TCL: Center of mass = 3.05527415161 0.65566604778 -1.19241441465 TCL: Center of mass = 3.05809000011 0.655726292668 -1.19265533361 TCL: Center of mass = 3.06089452779 0.655793248859 -1.19288551599 TCL: Center of mass = 3.06370353201 0.655854199042 -1.19311656214 TCL: Center of mass = 3.06652862474 0.655908823447 -1.19335553105 TCL: Center of mass = 3.06934664588 0.65597193418 -1.19358203791 TCL: Center of mass = 3.07217019097 0.656042013209 -1.19380889389 TCL: Center of mass = 3.07498045506 0.656103612249 -1.19403301622 TCL: Center of mass = 3.07778294849 0.656173458867 -1.19425966946 TCL: Center of mass = 3.08058495124 0.65625436077 -1.19449153993 TCL: Center of mass = 3.08338508588 0.656342802852 -1.19472268024 TCL: Center of mass = 3.08619619617 0.656430443299 -1.19496476796 TCL: Center of mass = 3.0890166125 0.656506682863 -1.19520754791 TCL: Center of mass = 3.0918252986 0.656581223516 -1.1954434274 TCL: Center of mass = 3.09463938917 0.656653936137 -1.1956899299 TCL: Center of mass = 3.09745427073 0.656724374283 -1.19593345692 TCL: Center of mass = 3.10025962565 0.656796598461 -1.19617901301 TCL: Center of mass = 3.10306579367 0.656870736624 -1.19643231346 TCL: Center of mass = 3.10587201291 0.656946149574 -1.19666807697 TCL: Center of mass = 3.10866812015 0.657022264509 -1.1969112365 TCL: Center of mass = 3.11147279856 0.657090993269 -1.19714979308 TCL: Center of mass = 3.11427418072 0.657156396398 -1.19739038596 TCL: Center of mass = 3.11707180358 0.657222606226 -1.19763411103 TCL: Center of mass = 3.11986716527 0.657295988315 -1.19787868174 TCL: Center of mass = 3.12267302984 0.657367409862 -1.19812360655 TCL: Center of mass = 3.12546545066 0.65743086321 -1.19836894009 TCL: Center of mass = 3.12825569146 0.657492122898 -1.19860742705 TCL: Center of mass = 3.13104547999 0.657561933033 -1.1988451679 TCL: Center of mass = 3.13384053607 0.65763258258 -1.19907770682 TCL: Center of mass = 3.1366295509 0.657712265479 -1.19931904559 TCL: Center of mass = 3.13942454089 0.657797314885 -1.19957222567 TCL: Center of mass = 3.1422212413 0.65786971326 -1.19982305451 TCL: Center of mass = 3.14501673321 0.657939772695 -1.20008142863 TCL: Center of mass = 3.14780707641 0.658023115612 -1.20032384622 TCL: Center of mass = 3.15059816413 0.658117664945 -1.20055842609 TCL: Center of mass = 3.15338946969 0.658219736226 -1.20079005651 TCL: Center of mass = 3.15617756123 0.658325220308 -1.20102566744 TCL: Center of mass = 3.15895199663 0.65842106668 -1.20126401746 TCL: Center of mass = 3.16171977775 0.658504144126 -1.20151007486 TCL: Center of mass = 3.16448784746 0.658583711167 -1.20175278987 TCL: Center of mass = 3.16725833873 0.658663765372 -1.20200695563 TCL: Center of mass = 3.17003618598 0.658740545922 -1.2022526326 TCL: Center of mass = 3.17281430021 0.65881259623 -1.20249244071 TCL: Center of mass = 3.17559158066 0.658883322954 -1.20271828019 TCL: Center of mass = 3.17835518111 0.658957645221 -1.20294416086 TCL: Center of mass = 3.18111496097 0.659038891491 -1.20317292636 TCL: Center of mass = 3.18386767302 0.659124622849 -1.20339112289 TCL: Center of mass = 3.18661367229 0.659221887584 -1.20360984655 TCL: Center of mass = 3.18934667759 0.659305984532 -1.20383044302 TCL: Center of mass = 3.19207674246 0.659392569035 -1.20405968698 TCL: Center of mass = 3.19479839794 0.659478342844 -1.20428252017 TCL: Center of mass = 3.19752155471 0.659570253929 -1.20451311653 TCL: Center of mass = 3.20023684475 0.659656313441 -1.20475196961 TCL: Center of mass = 3.20295667886 0.659754408643 -1.20498348085 TCL: Center of mass = 3.20568728968 0.659858925976 -1.20522095105 TCL: Center of mass = 3.20842199317 0.659961999393 -1.20545892939 TCL: Center of mass = 3.21115985856 0.660069070239 -1.20569752773 TCL: Center of mass = 3.21389623249 0.660187146424 -1.20592702751 TCL: Center of mass = 3.21665174029 0.660299838118 -1.20615395777 TCL: Center of mass = 3.21940598294 0.660404109199 -1.20637855347 TCL: Center of mass = 3.22216876447 0.660508146542 -1.20660220026 TCL: Center of mass = 3.22494192391 0.660614998424 -1.20683410394 TCL: Center of mass = 3.22771321384 0.660722377563 -1.20707826031 TCL: Center of mass = 3.23049726082 0.660828425838 -1.2073179456 TCL: Center of mass = 3.23329161701 0.660924579137 -1.20755640256 TCL: Center of mass = 3.23608677926 0.661029222611 -1.20779286617 TCL: Center of mass = 3.2388765392 0.661134226795 -1.20804299385 TCL: Center of mass = 3.24165647926 0.66124373621 -1.20828713586 TCL: Center of mass = 3.24442413111 0.661351804585 -1.20852972497 TCL: Center of mass = 3.24719819671 0.661462684611 -1.20877572837 TIMING: 2100 CPU: 174.165, 0.0824875/step Wall: 213.023, 0.101108/step, 0.502734 hours remaining, 20228 kB of memory in use. ENERGY: 2100 417.0287 691.2919 418.7014 53.3677 -2747.7950 -244.5479 0.0000 0.0000 1090.5687 -321.3847 297.2105 -312.4989 -313.3130 304.2023 -512.4970 -277.1174 64000.0000 141.3326 143.1906 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 = 3.2499662602 0.661574745415 -1.2090065292 TCL: Center of mass = 3.25273136984 0.661685331885 -1.20923189155 TCL: Center of mass = 3.2554943184 0.661791330959 -1.20945166121 TCL: Center of mass = 3.25825610256 0.661897032507 -1.20968528705 TCL: Center of mass = 3.26102257167 0.662012854598 -1.20992564751 TCL: Center of mass = 3.26380285571 0.662130333748 -1.21015919462 TCL: Center of mass = 3.2665800917 0.662243926527 -1.21039431644 TCL: Center of mass = 3.26936287469 0.662363753819 -1.21062221967 TCL: Center of mass = 3.27213401746 0.662473776441 -1.21085445566 TCL: Center of mass = 3.27491516632 0.66258440607 -1.21108452698 TCL: Center of mass = 3.27769341163 0.662689789292 -1.21130176533 TCL: Center of mass = 3.28046591932 0.662795974478 -1.21151107154 TCL: Center of mass = 3.28323785376 0.66290224935 -1.21173021235 TCL: Center of mass = 3.28600484891 0.66300643641 -1.21195325092 TCL: Center of mass = 3.28877628917 0.663115509752 -1.21218019093 TCL: Center of mass = 3.29154894831 0.663222377275 -1.21240593953 TCL: Center of mass = 3.2943289571 0.663331530261 -1.21264792587 TCL: Center of mass = 3.29710694459 0.66344989324 -1.21289768503 TCL: Center of mass = 3.299896128 0.663569739224 -1.21315043088 TCL: Center of mass = 3.3026912228 0.663683315298 -1.21340258759 TCL: Center of mass = 3.30549124479 0.663797108568 -1.21365843132 TCL: Center of mass = 3.3082906303 0.663916763463 -1.21391871941 TCL: Center of mass = 3.31109925594 0.664029228829 -1.21417428578 TCL: Center of mass = 3.31391392399 0.664137090101 -1.21443581304 TCL: Center of mass = 3.31673143866 0.664255834428 -1.21469852206 TCL: Center of mass = 3.3195525169 0.664367761909 -1.21494717975 TCL: Center of mass = 3.3223818815 0.664495283362 -1.21519322995 TCL: Center of mass = 3.32521413551 0.664628576759 -1.21544146844 TCL: Center of mass = 3.32805537401 0.66476095856 -1.21569216414 TCL: Center of mass = 3.33089864961 0.664889522137 -1.21594645174 TCL: Center of mass = 3.33373889254 0.665009684493 -1.21619446576 TCL: Center of mass = 3.33657519202 0.665120138429 -1.21645042269 TCL: Center of mass = 3.33940617739 0.665225202926 -1.21670480308 TCL: Center of mass = 3.3422371181 0.665327176431 -1.21696281349 TCL: Center of mass = 3.34505843882 0.665433700817 -1.21722578858 TCL: Center of mass = 3.34787846863 0.665541091774 -1.21748948516 TCL: Center of mass = 3.35068767531 0.665653394098 -1.21775176561 TCL: Center of mass = 3.35350316939 0.665754758714 -1.21802641264 TCL: Center of mass = 3.35631954846 0.665862024318 -1.2183014403 TCL: Center of mass = 3.35913155506 0.665969373664 -1.21857539738 TCL: Center of mass = 3.36195562652 0.666078375668 -1.21883788033 TCL: Center of mass = 3.3647770425 0.66619069332 -1.21910386408 TCL: Center of mass = 3.36760416395 0.666300645731 -1.21937170683 TCL: Center of mass = 3.37042679664 0.666411193994 -1.21964734923 TCL: Center of mass = 3.37326113077 0.66652188829 -1.21991580035 TCL: Center of mass = 3.37609085341 0.66663387952 -1.22018624937 TCL: Center of mass = 3.37891549589 0.666739276372 -1.22045013197 TCL: Center of mass = 3.3817462955 0.666843632747 -1.22071385514 TCL: Center of mass = 3.38457865381 0.666949912165 -1.22097291961 TCL: Center of mass = 3.387416575 0.66706366181 -1.2212274363 TCL: Center of mass = 3.39024626958 0.667181728251 -1.22148238504 TCL: Center of mass = 3.39307174151 0.667310434705 -1.22173254776 TCL: Center of mass = 3.39589454657 0.667427656589 -1.22198475491 TCL: Center of mass = 3.39871189487 0.667547960085 -1.2222307399 TCL: Center of mass = 3.40153374725 0.667660564963 -1.22247844082 TCL: Center of mass = 3.40436266269 0.667769201429 -1.22271437457 TCL: Center of mass = 3.40720912632 0.667874215528 -1.22294029507 TCL: Center of mass = 3.41004626926 0.667983319619 -1.22315733868 TCL: Center of mass = 3.41288302842 0.668092929975 -1.22337512374 TCL: Center of mass = 3.41571521085 0.668198833821 -1.22359505121 TCL: Center of mass = 3.41855507737 0.668302077362 -1.22380747554 TCL: Center of mass = 3.42139039992 0.668423448416 -1.22402864514 TCL: Center of mass = 3.42423814712 0.668548715021 -1.22424870838 TCL: Center of mass = 3.42707936712 0.668663145513 -1.22447723919 TCL: Center of mass = 3.42992140669 0.668762448305 -1.22470320194 TCL: Center of mass = 3.43276864937 0.668861334251 -1.22491466111 TCL: Center of mass = 3.43562398687 0.668972607032 -1.22512919957 TCL: Center of mass = 3.43848106666 0.669092198024 -1.22534845808 TCL: Center of mass = 3.44134655191 0.669207395809 -1.22557105129 TCL: Center of mass = 3.44421515588 0.669317043621 -1.22578741656 TCL: Center of mass = 3.44708590906 0.669440796804 -1.22599996431 TCL: Center of mass = 3.44995981193 0.669572633541 -1.22621256434 TCL: Center of mass = 3.45283629225 0.669699375568 -1.22643146 TCL: Center of mass = 3.45571830198 0.669829726708 -1.22664670095 TCL: Center of mass = 3.45860280866 0.669959121497 -1.22685484022 TCL: Center of mass = 3.46147540531 0.670084146219 -1.22705587011 TCL: Center of mass = 3.46435895974 0.670214195241 -1.22725743687 TCL: Center of mass = 3.46723603727 0.670347488824 -1.22745605707 TCL: Center of mass = 3.47011846767 0.670469912588 -1.22766098724 TCL: Center of mass = 3.47300637534 0.670597427605 -1.22787917554 TCL: Center of mass = 3.47589313478 0.670729270437 -1.22808757214 TCL: Center of mass = 3.47877749713 0.670869434342 -1.22831409919 TCL: Center of mass = 3.48166160333 0.671006742195 -1.22853834913 TCL: Center of mass = 3.48454328548 0.671145669033 -1.22876598981 TCL: Center of mass = 3.48741793379 0.671295811289 -1.22899422331 TCL: Center of mass = 3.49029942447 0.671446844882 -1.22921780893 TCL: Center of mass = 3.49318862735 0.67159103907 -1.22944035516 TCL: Center of mass = 3.49606758512 0.671717210702 -1.22966473235 TCL: Center of mass = 3.49894250075 0.671833906777 -1.22989043022 TCL: Center of mass = 3.50181445222 0.671948580483 -1.23011098885 TCL: Center of mass = 3.50468775389 0.672076748488 -1.23033536178 TCL: Center of mass = 3.50756519009 0.67219182717 -1.23056299184 TCL: Center of mass = 3.51043889787 0.672301978543 -1.23077937399 TCL: Center of mass = 3.51331364735 0.672414574639 -1.23100022596 TCL: Center of mass = 3.5161750686 0.672531399184 -1.23120624896 TCL: Center of mass = 3.51903464 0.672647744088 -1.23141467886 TCL: Center of mass = 3.52189929562 0.672764063525 -1.23161183477 TCL: Center of mass = 3.52477320509 0.672870633962 -1.2318052514 TCL: Center of mass = 3.527651175 0.672968396231 -1.23201197411 TCL: Center of mass = 3.53052504116 0.673085524322 -1.23222474918 TIMING: 2200 CPU: 182.459, 0.0829474/step Wall: 223.193, 0.101698/step, 0.502839 hours remaining, 20229 kB of memory in use. ENERGY: 2200 380.6684 699.8123 408.1767 46.8925 -2770.4994 -212.9191 0.0000 0.0000 1133.2370 -314.6316 308.8388 -306.0137 -306.1708 305.0183 308.1475 26.6090 64000.0000 15.9042 11.8630 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 = 3.53339519485 0.673207093181 -1.23243858057 TCL: Center of mass = 3.53625811306 0.673335950557 -1.23264564638 TCL: Center of mass = 3.53912404504 0.673469527279 -1.23284741894 TCL: Center of mass = 3.54198694077 0.673613469775 -1.23304908621 TCL: Center of mass = 3.54484227525 0.673752026129 -1.23325643713 TCL: Center of mass = 3.54769304062 0.673879266801 -1.23345638406 TCL: Center of mass = 3.55054415621 0.674011959119 -1.23366366497 TCL: Center of mass = 3.55339703237 0.674146175603 -1.2338761359 TCL: Center of mass = 3.55625653039 0.674263652178 -1.23408405939 TCL: Center of mass = 3.55910508272 0.67437657386 -1.23428747242 TCL: Center of mass = 3.56194659113 0.674493638372 -1.23450449109 TCL: Center of mass = 3.56478644857 0.674611466943 -1.23473050817 TCL: Center of mass = 3.56762361286 0.674732348614 -1.23495557243 TCL: Center of mass = 3.57046358486 0.674848295845 -1.2351828404 TCL: Center of mass = 3.57329962826 0.674947983603 -1.23541679465 TCL: Center of mass = 3.57613334553 0.675042969068 -1.23564966102 TCL: Center of mass = 3.57896006232 0.675137831864 -1.23587208534 TCL: Center of mass = 3.5817980316 0.675216522206 -1.23608907606 TCL: Center of mass = 3.58463439212 0.675282574176 -1.23629803111 TCL: Center of mass = 3.58745478459 0.675341043266 -1.23650581554 TCL: Center of mass = 3.5902736155 0.675398019238 -1.23673247891 TCL: Center of mass = 3.59309849465 0.675454689061 -1.23695906541 TCL: Center of mass = 3.59593014043 0.675509465294 -1.23718754467 TCL: Center of mass = 3.5987584808 0.675567569299 -1.23740932955 TCL: Center of mass = 3.60159712456 0.675621938834 -1.23763207867 TCL: Center of mass = 3.60444422651 0.675677993738 -1.23784465246 TCL: Center of mass = 3.60728619708 0.675720424929 -1.23806945814 TCL: Center of mass = 3.61011924493 0.675767524527 -1.23829186699 TCL: Center of mass = 3.61295829396 0.675809786004 -1.2385183105 TCL: Center of mass = 3.61578698353 0.675852282966 -1.23875712129 TCL: Center of mass = 3.61861402727 0.675899097738 -1.23899624589 TCL: Center of mass = 3.62144552974 0.675943687388 -1.23924243701 TCL: Center of mass = 3.62427744778 0.675992267045 -1.23948652839 TCL: Center of mass = 3.62711274334 0.676050637131 -1.23972848217 TCL: Center of mass = 3.62994595917 0.676102496278 -1.23996142 TCL: Center of mass = 3.63277543217 0.676164804364 -1.24020156875 TCL: Center of mass = 3.63560457121 0.676220287037 -1.24043847105 TCL: Center of mass = 3.63843997231 0.676269646045 -1.24067620224 TCL: Center of mass = 3.64127335807 0.676329002648 -1.24091551315 TCL: Center of mass = 3.64410990994 0.676383509152 -1.2411630237 TCL: Center of mass = 3.64695065434 0.676440342838 -1.2414034841 TCL: Center of mass = 3.64979540874 0.676486402968 -1.24165532666 TCL: Center of mass = 3.65263138205 0.676537916265 -1.24190186653 TCL: Center of mass = 3.65548188125 0.676596364353 -1.24214779461 TCL: Center of mass = 3.65833995723 0.676643979645 -1.24238025187 TCL: Center of mass = 3.66120773693 0.67669052624 -1.24259941849 TCL: Center of mass = 3.66407356623 0.676756534347 -1.24281111368 TCL: Center of mass = 3.66693936766 0.676809364166 -1.24302719547 TCL: Center of mass = 3.66980261787 0.676851895797 -1.24324272032 TCL: Center of mass = 3.67266794925 0.676884774598 -1.24346493114 TCL: Center of mass = 3.67555655167 0.676911276137 -1.24368715792 TCL: Center of mass = 3.67842808202 0.676934376534 -1.24389798274 TCL: Center of mass = 3.68130527688 0.676948931396 -1.24411254288 TCL: Center of mass = 3.68419236158 0.676959750522 -1.24433262865 TCL: Center of mass = 3.68707607071 0.676961696181 -1.24454671317 TCL: Center of mass = 3.68994772318 0.676951780039 -1.24476992633 TCL: Center of mass = 3.69282031497 0.676954632464 -1.24499656416 TCL: Center of mass = 3.69568609002 0.676961195788 -1.24522310813 TCL: Center of mass = 3.69855482889 0.676969768879 -1.24543775513 TCL: Center of mass = 3.70142260168 0.676977433565 -1.24563746548 TCL: Center of mass = 3.70429158514 0.676983310864 -1.24584499918 TCL: Center of mass = 3.70714768497 0.676983573273 -1.24604583113 TCL: Center of mass = 3.71000037684 0.676980144136 -1.24624238953 TCL: Center of mass = 3.71285019721 0.676977019769 -1.24643131408 TCL: Center of mass = 3.71569781982 0.676973761553 -1.24662442751 TCL: Center of mass = 3.71855257397 0.676975911568 -1.24682122985 TCL: Center of mass = 3.72141466834 0.676983514659 -1.24702517814 TCL: Center of mass = 3.72428277392 0.676995868638 -1.2472137456 TCL: Center of mass = 3.72715577196 0.677008538948 -1.2474048382 TCL: Center of mass = 3.73002023589 0.677026909448 -1.24761035872 TCL: Center of mass = 3.73289230422 0.67703507604 -1.24782265443 TCL: Center of mass = 3.73576357871 0.677036176214 -1.24803301808 TCL: Center of mass = 3.73862940012 0.677042171228 -1.24824702414 TCL: Center of mass = 3.74148477211 0.677055228263 -1.24846893714 TCL: Center of mass = 3.74433451632 0.677073519946 -1.24869560245 TCL: Center of mass = 3.7471867979 0.677104101833 -1.24892040714 TCL: Center of mass = 3.7500312007 0.677124671972 -1.24916039196 TCL: Center of mass = 3.75288287835 0.677126960569 -1.24939489335 TCL: Center of mass = 3.75572079238 0.677121814625 -1.24962884363 TCL: Center of mass = 3.75856876685 0.677116281372 -1.24986794063 TCL: Center of mass = 3.761420366 0.677115019508 -1.25011498274 TCL: Center of mass = 3.76428038707 0.67710367504 -1.25036331186 TCL: Center of mass = 3.76713569591 0.677093700377 -1.25060652046 TCL: Center of mass = 3.77000173212 0.677084333717 -1.2508514186 TCL: Center of mass = 3.77286936336 0.67706118551 -1.25109333065 TCL: Center of mass = 3.7757362645 0.67703986091 -1.25132510343 TCL: Center of mass = 3.77861080482 0.677014845587 -1.25155675832 TCL: Center of mass = 3.78148765022 0.676990273112 -1.25180042457 TCL: Center of mass = 3.78436903455 0.676949648985 -1.25204381485 TCL: Center of mass = 3.78725234445 0.676904485201 -1.25229326145 TCL: Center of mass = 3.79014436161 0.676867482766 -1.25255192242 TCL: Center of mass = 3.79304020366 0.676839777733 -1.25281402617 TCL: Center of mass = 3.79594057213 0.676800857805 -1.25308221398 TCL: Center of mass = 3.79883092087 0.676763146367 -1.25334959672 TCL: Center of mass = 3.80171661153 0.676717062049 -1.25361860953 TCL: Center of mass = 3.80459944243 0.676675715093 -1.25387516231 TCL: Center of mass = 3.80748123937 0.676629429837 -1.25413431267 TCL: Center of mass = 3.81036247648 0.676590480308 -1.25439521307 TCL: Center of mass = 3.81324067017 0.676564694975 -1.25464629664 TCL: Center of mass = 3.81611396945 0.676541242487 -1.25490578855 TIMING: 2300 CPU: 190.696, 0.0823675/step Wall: 233.296, 0.10103/step, 0.496732 hours remaining, 20231 kB of memory in use. ENERGY: 2300 399.1945 693.5625 419.3154 41.8245 -2822.9932 -184.1366 0.0000 0.0000 1158.5124 -294.7206 315.7270 -285.8020 -287.2124 309.5804 613.2127 256.5590 64000.0000 178.6782 184.3889 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 = 3.81898107579 0.6765256966 -1.25515901633 TCL: Center of mass = 3.8218471372 0.676507784866 -1.25541858187 TCL: Center of mass = 3.82472188344 0.676492225977 -1.25568664643 TCL: Center of mass = 3.82758369073 0.676477982341 -1.25595494804 TCL: Center of mass = 3.83045167301 0.676459071008 -1.25623301486 TCL: Center of mass = 3.83331562879 0.676436955705 -1.25650935058 TCL: Center of mass = 3.8361852968 0.676403307237 -1.25678137179 TCL: Center of mass = 3.83905243841 0.676364745562 -1.25705626064 TCL: Center of mass = 3.84191099157 0.676336799821 -1.25734304753 TCL: Center of mass = 3.84477007446 0.676302871838 -1.25761598584 TCL: Center of mass = 3.84763129496 0.676268013284 -1.25788738814 TCL: Center of mass = 3.8504938658 0.67622385322 -1.25816257003 TCL: Center of mass = 3.85335792901 0.676168423642 -1.25842943537 TCL: Center of mass = 3.85623393524 0.676106965642 -1.25870036889 TCL: Center of mass = 3.85911394989 0.676046698112 -1.25896799359 TCL: Center of mass = 3.86199592439 0.676002435274 -1.2592443292 TCL: Center of mass = 3.86488385429 0.675948610282 -1.25953436824 TCL: Center of mass = 3.86777593825 0.675896295536 -1.25983521482 TCL: Center of mass = 3.87066716398 0.675835275563 -1.26014310494 TCL: Center of mass = 3.87355745858 0.675766193624 -1.26044964496 TCL: Center of mass = 3.87646186695 0.675689689728 -1.26076208871 TCL: Center of mass = 3.87936266196 0.675620899776 -1.26107578215 TCL: Center of mass = 3.88226371229 0.675564904921 -1.26139699379 TCL: Center of mass = 3.88516202911 0.675508354103 -1.26171743909 TCL: Center of mass = 3.88806707984 0.675451807142 -1.26201637359 TCL: Center of mass = 3.89097318113 0.675384415584 -1.26232597957 TCL: Center of mass = 3.89387992798 0.675314475511 -1.26264247155 TCL: Center of mass = 3.89679092242 0.675254359171 -1.26295777537 TCL: Center of mass = 3.89970877149 0.675201597702 -1.26327540549 TCL: Center of mass = 3.90263049836 0.675146266788 -1.26358504496 TCL: Center of mass = 3.90554833678 0.675092759678 -1.26389690037 TCL: Center of mass = 3.90846227283 0.675043596348 -1.2641996967 TCL: Center of mass = 3.91137128183 0.674993848673 -1.26449874491 TCL: Center of mass = 3.91427675109 0.674940044664 -1.26480313895 TCL: Center of mass = 3.91717576801 0.674877739334 -1.26511143192 TCL: Center of mass = 3.92007794556 0.674809450033 -1.2654222836 TCL: Center of mass = 3.92297899728 0.67473171756 -1.26574096545 TCL: Center of mass = 3.92588661915 0.674646625379 -1.266052799 TCL: Center of mass = 3.92879474157 0.674561342935 -1.26636890384 TCL: Center of mass = 3.93169296228 0.674482367698 -1.26666621546 TCL: Center of mass = 3.93459380594 0.674408062952 -1.26697160668 TCL: Center of mass = 3.93750685523 0.674329086566 -1.2672678996 TCL: Center of mass = 3.94042046717 0.674251587032 -1.2675725751 TCL: Center of mass = 3.94332076606 0.674182874664 -1.26787484935 TCL: Center of mass = 3.94620961444 0.674121242175 -1.26819281448 TCL: Center of mass = 3.94909934777 0.674061719772 -1.26849923134 TCL: Center of mass = 3.95198263873 0.674022153789 -1.26880475517 TCL: Center of mass = 3.95487225458 0.673978756346 -1.26911623624 TCL: Center of mass = 3.95775559646 0.673933760324 -1.26943302888 TCL: Center of mass = 3.96064503252 0.673886144645 -1.26974944718 TCL: Center of mass = 3.96354006615 0.673836328152 -1.27006689662 TCL: Center of mass = 3.96643181361 0.673788996614 -1.27037893355 TCL: Center of mass = 3.96933531404 0.673744160043 -1.27068128704 TCL: Center of mass = 3.97223728708 0.673700651873 -1.27099559745 TCL: Center of mass = 3.97513718629 0.673665949382 -1.27130978257 TCL: Center of mass = 3.97804769353 0.673639482679 -1.27162936946 TCL: Center of mass = 3.9809598569 0.673612995634 -1.27194280367 TCL: Center of mass = 3.98387987516 0.673570611741 -1.27226236822 TCL: Center of mass = 3.98680376609 0.673528082936 -1.27258031754 TCL: Center of mass = 3.98972430496 0.673485874704 -1.27289832897 TCL: Center of mass = 3.99263901695 0.673433494765 -1.27321036159 TCL: Center of mass = 3.99554562759 0.673383912233 -1.27351724794 TCL: Center of mass = 3.99844381036 0.673335308226 -1.27382063693 TCL: Center of mass = 4.00133996796 0.673289825068 -1.2741213358 TCL: Center of mass = 4.00423507548 0.673240189664 -1.27440749362 TCL: Center of mass = 4.00714158188 0.673201771822 -1.2747020539 TCL: Center of mass = 4.01005081217 0.673153807683 -1.27499453203 TCL: Center of mass = 4.01296187739 0.673094898653 -1.27528844283 TCL: Center of mass = 4.01586688286 0.673031646788 -1.27556808605 TCL: Center of mass = 4.01876701435 0.672952477875 -1.2758548221 TCL: Center of mass = 4.02166011821 0.672867190778 -1.27614653418 TCL: Center of mass = 4.02455677462 0.672776352818 -1.27643834867 TCL: Center of mass = 4.02746154793 0.672683732345 -1.27671298107 TCL: Center of mass = 4.03036167937 0.672582036507 -1.27698956324 TCL: Center of mass = 4.03326240398 0.672483226541 -1.27726731788 TCL: Center of mass = 4.03615058788 0.672371518206 -1.27754326362 TCL: Center of mass = 4.03903769203 0.672262802 -1.27780656478 TCL: Center of mass = 4.04191784807 0.672157800041 -1.27807113985 TCL: Center of mass = 4.04481111385 0.67206068802 -1.27833303398 TCL: Center of mass = 4.04770652456 0.671970319201 -1.27860480287 TCL: Center of mass = 4.05060947974 0.671877555996 -1.27887431759 TCL: Center of mass = 4.05351429115 0.671788798053 -1.27914986545 TCL: Center of mass = 4.05642285653 0.671708862614 -1.2794291673 TCL: Center of mass = 4.0593478836 0.671634797039 -1.27971184502 TCL: Center of mass = 4.06227316655 0.671565407405 -1.2799952852 TCL: Center of mass = 4.06519525335 0.671488481491 -1.28028834807 TCL: Center of mass = 4.06810953757 0.671406397328 -1.28057477076 TCL: Center of mass = 4.07102589889 0.671322521917 -1.28086905899 TCL: Center of mass = 4.0739432495 0.671231869423 -1.2811691266 TCL: Center of mass = 4.07685730346 0.671147470153 -1.28147630339 TCL: Center of mass = 4.07977385379 0.671074398955 -1.28178369381 TCL: Center of mass = 4.08269215789 0.670991557701 -1.28208051103 TCL: Center of mass = 4.08562017954 0.670910403721 -1.28239581644 TCL: Center of mass = 4.08853398614 0.670819567932 -1.2827164355 TCL: Center of mass = 4.0914498949 0.670729935193 -1.28304980086 TCL: Center of mass = 4.09436568082 0.670630885299 -1.2833834939 TCL: Center of mass = 4.09726969222 0.670526041953 -1.28370841521 TCL: Center of mass = 4.10017526711 0.670416706389 -1.28402838085 TCL: Center of mass = 4.10309138865 0.670302393714 -1.28435529862 TCL: Center of mass = 4.10600397646 0.670178427417 -1.28468655771 TIMING: 2400 CPU: 199.016, 0.0831973/step Wall: 243.501, 0.102053/step, 0.498927 hours remaining, 20236 kB of memory in use. ENERGY: 2400 395.3890 698.3420 413.9828 49.7680 -2778.9507 -206.8902 0.0000 0.0000 1145.4572 -282.9019 312.1691 -274.4905 -273.3992 310.1164 483.3461 125.9857 64000.0000 202.4233 197.6099 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 = 4.10892662043 0.670048809512 -1.28502376306 TCL: Center of mass = 4.11185787686 0.669911920902 -1.28536531682 TCL: Center of mass = 4.11478720129 0.669772119708 -1.28571439575 TCL: Center of mass = 4.11771648318 0.669633445506 -1.28606353643 TCL: Center of mass = 4.12063335711 0.669487459813 -1.28642244506 TCL: Center of mass = 4.12354832551 0.669348566737 -1.28678359814 TCL: Center of mass = 4.12646470404 0.669205678693 -1.28714846548 TCL: Center of mass = 4.12937911824 0.669073733074 -1.28751025908 TCL: Center of mass = 4.13228875587 0.668945996951 -1.28786784249 TCL: Center of mass = 4.13519079175 0.668831514303 -1.2882173418 TCL: Center of mass = 4.13808783294 0.668728237387 -1.28857145414 TCL: Center of mass = 4.1409926751 0.668620922466 -1.28892856521 TCL: Center of mass = 4.14389492781 0.668513837175 -1.28929206407 TCL: Center of mass = 4.14679479316 0.668400284834 -1.28965525811 TCL: Center of mass = 4.14969672306 0.668290801038 -1.29002766371 TCL: Center of mass = 4.15259212983 0.668190705039 -1.29040128701 TCL: Center of mass = 4.15548688377 0.668095038039 -1.29077059064 TCL: Center of mass = 4.15837594206 0.667994321961 -1.29115337266 TCL: Center of mass = 4.16124943347 0.667910280523 -1.29154086425 TCL: Center of mass = 4.1641214026 0.66783192768 -1.29191512964 TCL: Center of mass = 4.16700118613 0.667749453116 -1.29229234917 TCL: Center of mass = 4.16988141376 0.667673488647 -1.29266285741 TCL: Center of mass = 4.17276118579 0.667599978053 -1.29304551772 TCL: Center of mass = 4.17564467373 0.667531044845 -1.29343020824 TCL: Center of mass = 4.1785343742 0.667466061922 -1.2938112637 TCL: Center of mass = 4.1814255338 0.667395855729 -1.29419673922 TCL: Center of mass = 4.18432455282 0.667328549359 -1.29458283382 TCL: Center of mass = 4.18722078144 0.667244035186 -1.29496562139 TCL: Center of mass = 4.19011586053 0.667147270115 -1.29534832626 TCL: Center of mass = 4.19301142179 0.667049296825 -1.29573638017 TCL: Center of mass = 4.19590651537 0.666942918007 -1.29612353169 TCL: Center of mass = 4.1988006604 0.666840697965 -1.29650997682 TCL: Center of mass = 4.20169039841 0.666741818194 -1.29690086635 TCL: Center of mass = 4.20457494656 0.666655111975 -1.29728769836 TCL: Center of mass = 4.20746101624 0.666556590956 -1.29768236226 TCL: Center of mass = 4.21034192153 0.666462762555 -1.29806911742 TCL: Center of mass = 4.21321658169 0.666362310769 -1.29844728547 TCL: Center of mass = 4.21610029697 0.666266744195 -1.2988235953 TCL: Center of mass = 4.21897680988 0.666166184616 -1.29919657467 TCL: Center of mass = 4.22185139316 0.666058304209 -1.2995699402 TCL: Center of mass = 4.22472258101 0.665957534794 -1.2999395032 TCL: Center of mass = 4.22760463665 0.665856561237 -1.30030790134 TCL: Center of mass = 4.23048655003 0.665761209444 -1.30067856816 TCL: Center of mass = 4.2333655525 0.665661465744 -1.30104491901 TCL: Center of mass = 4.23624752548 0.665565053458 -1.30142161215 TCL: Center of mass = 4.23912715016 0.665473068328 -1.30181027607 TCL: Center of mass = 4.2420191547 0.665369708102 -1.3022020326 TCL: Center of mass = 4.2449250564 0.665266545569 -1.30259652689 TCL: Center of mass = 4.24782962825 0.665157559148 -1.30299892651 TCL: Center of mass = 4.25073293701 0.665048893792 -1.30340504828 TCL: Center of mass = 4.25362836842 0.664950101727 -1.30381743671 TCL: Center of mass = 4.25653305922 0.664873227402 -1.30421347371 TCL: Center of mass = 4.25943119901 0.664795523744 -1.30461907195 TCL: Center of mass = 4.2623200159 0.664726223569 -1.30502931967 TCL: Center of mass = 4.26520319221 0.664657626117 -1.30543252164 TCL: Center of mass = 4.26808822515 0.664606749975 -1.30582696859 TCL: Center of mass = 4.27095995216 0.664551353081 -1.30623014562 TCL: Center of mass = 4.27384533495 0.66450169773 -1.30663336447 TCL: Center of mass = 4.276742053 0.664449050823 -1.30702608404 TCL: Center of mass = 4.27964388227 0.66439457028 -1.30741851739 TCL: Center of mass = 4.28255377479 0.66433742311 -1.3078037927 TCL: Center of mass = 4.28547159577 0.664284570738 -1.30818756458 TCL: Center of mass = 4.28839948065 0.664228373474 -1.30858111936 TCL: Center of mass = 4.29134836316 0.664164949957 -1.30898921616 TCL: Center of mass = 4.29429802034 0.66409998363 -1.30939754893 TCL: Center of mass = 4.29725361943 0.664038446659 -1.30980434886 TCL: Center of mass = 4.300209999 0.663975637226 -1.31022330201 TCL: Center of mass = 4.30317269056 0.663920638269 -1.3106483318 TCL: Center of mass = 4.30613771196 0.663876046961 -1.31107895758 TCL: Center of mass = 4.30910731395 0.663839202224 -1.31149461366 TCL: Center of mass = 4.31206387571 0.663810756539 -1.31190479489 TCL: Center of mass = 4.31502577585 0.663779367276 -1.31230848669 TCL: Center of mass = 4.31797808991 0.663746499265 -1.31271747511 TCL: Center of mass = 4.32092481992 0.663711563662 -1.313121979 TCL: Center of mass = 4.32386932737 0.663692807282 -1.31353002143 TCL: Center of mass = 4.32680262481 0.66367531651 -1.31393396376 TCL: Center of mass = 4.32972935634 0.663661139268 -1.31433812672 TCL: Center of mass = 4.33264803112 0.6636437893 -1.31473635398 TCL: Center of mass = 4.33556307129 0.663625272095 -1.31513094948 TCL: Center of mass = 4.33847217828 0.663606555234 -1.31554885771 TCL: Center of mass = 4.34137653249 0.663600644404 -1.31595739669 TCL: Center of mass = 4.34428302761 0.663595148286 -1.31636258078 TCL: Center of mass = 4.34719052685 0.66359303734 -1.31676649829 TCL: Center of mass = 4.35009299161 0.663586976705 -1.31718041166 TCL: Center of mass = 4.35299709757 0.663577959914 -1.31757960678 TCL: Center of mass = 4.3558991709 0.663571686882 -1.31798186501 TCL: Center of mass = 4.35879709479 0.663568677964 -1.3183794936 TCL: Center of mass = 4.36169112412 0.663575148061 -1.31877953172 TCL: Center of mass = 4.36458022406 0.663588483422 -1.31917510094 TCL: Center of mass = 4.36747169579 0.663593703006 -1.31956234676 TCL: Center of mass = 4.37036358716 0.663596760589 -1.31994426947 TCL: Center of mass = 4.37327110881 0.663598986241 -1.32032957119 TCL: Center of mass = 4.37617328943 0.663609660401 -1.32071445439 TCL: Center of mass = 4.37908128896 0.663620525924 -1.32108606768 TCL: Center of mass = 4.38198884516 0.66362378494 -1.32145373231 TCL: Center of mass = 4.38489278025 0.663617656469 -1.32182893548 TCL: Center of mass = 4.38778395841 0.66361153022 -1.32221239911 TCL: Center of mass = 4.3906824729 0.663608500469 -1.32259068583 TCL: Center of mass = 4.39358140548 0.663607169388 -1.32296928632 TCL: Center of mass = 4.39647232363 0.663613957078 -1.32334250743 TIMING: 2500 CPU: 207.29, 0.0827474/step Wall: 253.651, 0.101494/step, 0.493375 hours remaining, 20243 kB of memory in use. ENERGY: 2500 422.6524 718.7529 416.6834 42.5128 -2782.9014 -218.7653 0.0000 0.0000 1122.3091 -278.7560 305.8606 -270.2394 -269.1940 312.7509 128.6923 125.0601 64000.0000 265.5368 271.1718 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 = 4.3993671872 0.663621175747 -1.32371570271 TCL: Center of mass = 4.40226780811 0.663631497562 -1.32409221284 TCL: Center of mass = 4.40514677632 0.66364351855 -1.32447624664 TCL: Center of mass = 4.40803685439 0.663658896104 -1.32485676269 TCL: Center of mass = 4.41092495482 0.663666341185 -1.32525115253 TCL: Center of mass = 4.4138102742 0.663665930041 -1.32564995803 TCL: Center of mass = 4.41670552517 0.663669107787 -1.32605104766 TCL: Center of mass = 4.4195907432 0.663666061036 -1.32645352681 TCL: Center of mass = 4.42246397783 0.663653424756 -1.32684866214 TCL: Center of mass = 4.42534466163 0.663650505733 -1.32723790693 TCL: Center of mass = 4.42821820847 0.663650250301 -1.32763854142 TCL: Center of mass = 4.43109024617 0.663652260103 -1.32803921514 TCL: Center of mass = 4.43396165676 0.663657709378 -1.32842790034 TCL: Center of mass = 4.43683173049 0.663672513992 -1.32881585144 TCL: Center of mass = 4.43968232567 0.663682779974 -1.32920447677 TCL: Center of mass = 4.44252023488 0.663699074196 -1.32959763379 TCL: Center of mass = 4.44535723393 0.663713441931 -1.32998481945 TCL: Center of mass = 4.44821143509 0.663727643224 -1.33036397588 TCL: Center of mass = 4.45106346497 0.663745327355 -1.33073497506 TCL: Center of mass = 4.45392103025 0.663750494396 -1.33110556123 TCL: Center of mass = 4.45678000956 0.663758770123 -1.33146469171 TCL: Center of mass = 4.4596293242 0.663770221527 -1.33183871869 TCL: Center of mass = 4.46248257169 0.663780384422 -1.33221265071 TCL: Center of mass = 4.46533516674 0.663787971621 -1.33258606497 TCL: Center of mass = 4.46818200056 0.663796879609 -1.33296200556 TCL: Center of mass = 4.47102503643 0.663813980696 -1.33333467053 TCL: Center of mass = 4.47387783235 0.663834253536 -1.3337070896 TCL: Center of mass = 4.47673242297 0.663845145479 -1.33407415222 TCL: Center of mass = 4.47959075473 0.663861666016 -1.33443280665 TCL: Center of mass = 4.48244872435 0.663901735243 -1.33479761 TCL: Center of mass = 4.48530333203 0.663952736317 -1.33515462397 TCL: Center of mass = 4.48814618367 0.664014791201 -1.33549924027 TCL: Center of mass = 4.49098209405 0.664072065468 -1.33584787128 TCL: Center of mass = 4.49382380996 0.664135446535 -1.33619457961 TCL: Center of mass = 4.49666408684 0.664202311925 -1.33653327717 TCL: Center of mass = 4.49951465634 0.664265275735 -1.33685875294 TCL: Center of mass = 4.50236295654 0.664321904937 -1.33719897255 TCL: Center of mass = 4.50521100863 0.664377393312 -1.33752540439 TCL: Center of mass = 4.50806005765 0.664439449982 -1.33784416671 TCL: Center of mass = 4.51090105105 0.664497653504 -1.33815867982 TCL: Center of mass = 4.51374379063 0.664561645479 -1.33847104006 TCL: Center of mass = 4.51659180689 0.664615591691 -1.338787045 TCL: Center of mass = 4.51945025923 0.664685216739 -1.33909697736 TCL: Center of mass = 4.52230562439 0.664753591279 -1.33940272496 TCL: Center of mass = 4.52516811308 0.664837193091 -1.33969597051 TCL: Center of mass = 4.5280421063 0.664917088895 -1.3399850057 TCL: Center of mass = 4.53090968989 0.665011693725 -1.34027204817 TCL: Center of mass = 4.53377335415 0.665113176674 -1.34056919565 TCL: Center of mass = 4.53663898059 0.665195311079 -1.34086818767 TCL: Center of mass = 4.53950188293 0.665285091681 -1.341164447 TCL: Center of mass = 4.54235898646 0.66536362019 -1.34145327852 TCL: Center of mass = 4.5452256429 0.665432003806 -1.3417428013 TCL: Center of mass = 4.54810091568 0.665509240769 -1.34203073182 TCL: Center of mass = 4.55097359393 0.665591618268 -1.34231069938 TCL: Center of mass = 4.5538487667 0.665682808327 -1.3425929293 TCL: Center of mass = 4.5567324145 0.665769752566 -1.34286818107 TCL: Center of mass = 4.55961562788 0.665855747897 -1.34313952123 TCL: Center of mass = 4.562497684 0.665950810023 -1.34339490837 TCL: Center of mass = 4.56538236682 0.666042459718 -1.34365316959 TCL: Center of mass = 4.56826710242 0.666136844052 -1.34390604404 TCL: Center of mass = 4.57116261129 0.666230138389 -1.34417282045 TCL: Center of mass = 4.57405377321 0.666335987579 -1.34443214107 TCL: Center of mass = 4.57694403567 0.666444270754 -1.34469306383 TCL: Center of mass = 4.57982391067 0.666548548741 -1.34497517131 TCL: Center of mass = 4.58268926616 0.666655090312 -1.34524993404 TCL: Center of mass = 4.58554445293 0.666753919995 -1.34553429672 TCL: Center of mass = 4.58840053057 0.666855767468 -1.3458364254 TCL: Center of mass = 4.59126070494 0.666955397244 -1.3461526543 TCL: Center of mass = 4.59413601625 0.667057776274 -1.34645672338 TCL: Center of mass = 4.59700524809 0.667161317171 -1.34676367893 TCL: Center of mass = 4.5998773505 0.66726928761 -1.34706667143 TCL: Center of mass = 4.60274213185 0.667367972562 -1.34736018732 TCL: Center of mass = 4.60560553938 0.667465135 -1.3476508329 TCL: Center of mass = 4.60847651018 0.667558005829 -1.34794403806 TCL: Center of mass = 4.61134949025 0.667648462984 -1.34822616691 TCL: Center of mass = 4.61423401857 0.667748689269 -1.34850598814 TCL: Center of mass = 4.61713364543 0.667852183465 -1.34878729768 TCL: Center of mass = 4.62004133591 0.667963190733 -1.3490691875 TCL: Center of mass = 4.62295211997 0.668082133694 -1.34935043658 TCL: Center of mass = 4.62586174303 0.668204536338 -1.34962778177 TCL: Center of mass = 4.6287634106 0.668336219649 -1.34991242268 TCL: Center of mass = 4.63166503776 0.66846377941 -1.35019514826 TCL: Center of mass = 4.63456379725 0.6685798901 -1.35047845745 TCL: Center of mass = 4.63746580838 0.66869238696 -1.35077423069 TCL: Center of mass = 4.64036209186 0.668820151312 -1.3510569986 TCL: Center of mass = 4.64326573142 0.668961849861 -1.35134041958 TCL: Center of mass = 4.64617832219 0.669105048693 -1.35162915923 TCL: Center of mass = 4.6490917846 0.669239694448 -1.35190867597 TCL: Center of mass = 4.65200275872 0.669367838941 -1.35218336485 TCL: Center of mass = 4.65491589535 0.669504392128 -1.35245771936 TCL: Center of mass = 4.65782460361 0.669642782032 -1.35271792252 TCL: Center of mass = 4.66073231048 0.66978464566 -1.35298952929 TCL: Center of mass = 4.66363579709 0.669916988887 -1.35326468493 TCL: Center of mass = 4.66654650498 0.670047718426 -1.35354982687 TCL: Center of mass = 4.66946144775 0.67018078245 -1.35384328457 TCL: Center of mass = 4.67237325508 0.670313802029 -1.35413704878 TCL: Center of mass = 4.67529223136 0.670436618204 -1.35443336082 TCL: Center of mass = 4.67820622054 0.670549317297 -1.3547298041 TCL: Center of mass = 4.68111862178 0.670671418247 -1.35502273267 TCL: Center of mass = 4.68402752025 0.670795152865 -1.35532821916 TIMING: 2600 CPU: 215.567, 0.0827674/step Wall: 263.807, 0.10156/step, 0.490874 hours remaining, 20247 kB of memory in use. ENERGY: 2600 441.0308 675.4687 415.7324 44.6957 -2791.5066 -208.1672 0.0000 0.0000 1149.7535 -272.9926 313.3400 -263.9228 -265.0389 311.5069 71.8967 -19.0343 64000.0000 59.4299 56.3435 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 = 4.6869364652 0.670911846801 -1.35562721076 TCL: Center of mass = 4.68984745188 0.671043049066 -1.35592376174 TCL: Center of mass = 4.69275214184 0.671162391611 -1.35621897374 TCL: Center of mass = 4.69566668341 0.671286770301 -1.356509601 TCL: Center of mass = 4.69858437579 0.671412237184 -1.35680139752 TCL: Center of mass = 4.70149507246 0.671536223626 -1.3570848643 TCL: Center of mass = 4.70439497437 0.671664560947 -1.35737167499 TCL: Center of mass = 4.7072885077 0.671811033397 -1.35766964249 TCL: Center of mass = 4.71018122024 0.671952694778 -1.35797001787 TCL: Center of mass = 4.71308092378 0.672099833011 -1.35827892745 TCL: Center of mass = 4.71596893872 0.672249923932 -1.3585823589 TCL: Center of mass = 4.71885865865 0.672413697891 -1.35889270952 TCL: Center of mass = 4.72174351769 0.672566929602 -1.35920854212 TCL: Center of mass = 4.72462239706 0.67272632366 -1.3595275812 TCL: Center of mass = 4.72750037466 0.672885460335 -1.35984131096 TCL: Center of mass = 4.73038250459 0.673048932741 -1.36015860485 TCL: Center of mass = 4.73326944089 0.673205535951 -1.36047104671 TCL: Center of mass = 4.73616314983 0.673367656187 -1.36079804254 TCL: Center of mass = 4.73905535123 0.673520137313 -1.36112362068 TCL: Center of mass = 4.74194487688 0.67367839245 -1.36144087503 TCL: Center of mass = 4.74484127906 0.673822713589 -1.3617668654 TCL: Center of mass = 4.74772892501 0.673972089115 -1.36209716572 TCL: Center of mass = 4.75062224915 0.674116356118 -1.36242893822 TCL: Center of mass = 4.75350421503 0.674264320654 -1.3627684613 TCL: Center of mass = 4.75639295528 0.674412991276 -1.36312207104 TCL: Center of mass = 4.75926595349 0.674551034212 -1.36346757178 TCL: Center of mass = 4.76214174176 0.674688751597 -1.36382000152 TCL: Center of mass = 4.76502602295 0.674834915699 -1.36416085701 TCL: Center of mass = 4.7679062864 0.67497654303 -1.36449463355 TCL: Center of mass = 4.77078956105 0.675137331334 -1.36482480949 TCL: Center of mass = 4.773677189 0.675306409714 -1.3651680115 TCL: Center of mass = 4.77656095601 0.675476398287 -1.36551927945 TCL: Center of mass = 4.77943506278 0.675640345971 -1.36587180481 TCL: Center of mass = 4.78230640904 0.675805505239 -1.36621316607 TCL: Center of mass = 4.78518086747 0.675971049227 -1.36655229238 TCL: Center of mass = 4.78805836008 0.676143640161 -1.36689054954 TCL: Center of mass = 4.79093916653 0.676321241979 -1.36723076679 TCL: Center of mass = 4.79380689484 0.676499012495 -1.36756686207 TCL: Center of mass = 4.79666737046 0.676675591042 -1.36790834475 TCL: Center of mass = 4.79952354156 0.67684984667 -1.36823987385 TCL: Center of mass = 4.80238080395 0.677030627802 -1.36857148705 TCL: Center of mass = 4.80523748024 0.677210707701 -1.36889341374 TCL: Center of mass = 4.80809463964 0.677381101606 -1.36920401285 TCL: Center of mass = 4.81094068012 0.677547254573 -1.36950898678 TCL: Center of mass = 4.81379103652 0.677702133042 -1.3698125214 TCL: Center of mass = 4.81662486401 0.677855940854 -1.37012194656 TCL: Center of mass = 4.81946323845 0.67800449896 -1.37043946584 TCL: Center of mass = 4.82229884888 0.678140591993 -1.37075599763 TCL: Center of mass = 4.82513308602 0.678269084934 -1.37106707767 TCL: Center of mass = 4.82796533543 0.678403421398 -1.37139118268 TCL: Center of mass = 4.8307897878 0.67853005854 -1.37171977428 TCL: Center of mass = 4.83362454244 0.678658190781 -1.37204039559 TCL: Center of mass = 4.83645837967 0.678775467863 -1.3723611314 TCL: Center of mass = 4.83930760954 0.67888999555 -1.37268659431 TCL: Center of mass = 4.84215764449 0.678998928756 -1.37300572875 TCL: Center of mass = 4.84501165893 0.679105159852 -1.3733423668 TCL: Center of mass = 4.84787547462 0.679233708779 -1.37368089396 TCL: Center of mass = 4.85073217588 0.679356763533 -1.37403746422 TCL: Center of mass = 4.85359978448 0.679476408827 -1.37440746528 TCL: Center of mass = 4.85647384352 0.679585525394 -1.37479154079 TCL: Center of mass = 4.85935012785 0.679687175856 -1.3751758013 TCL: Center of mass = 4.86223030505 0.679797926888 -1.37555610508 TCL: Center of mass = 4.8651140592 0.679918240417 -1.37593645399 TCL: Center of mass = 4.8680005166 0.680035741803 -1.37630687473 TCL: Center of mass = 4.87088814631 0.68014957895 -1.3766747038 TCL: Center of mass = 4.87377710596 0.680273020895 -1.37704163567 TCL: Center of mass = 4.87665573637 0.680401883346 -1.37740063824 TCL: Center of mass = 4.87954384494 0.680520608808 -1.37775595471 TCL: Center of mass = 4.88243001351 0.680631090768 -1.37810958231 TCL: Center of mass = 4.88531360779 0.680736871127 -1.37846725739 TCL: Center of mass = 4.88819077495 0.680845357722 -1.3788325566 TCL: Center of mass = 4.89105298241 0.680952517243 -1.37920721018 TCL: Center of mass = 4.89391351084 0.681079115884 -1.37958565367 TCL: Center of mass = 4.89677327048 0.681197891596 -1.37995635308 TCL: Center of mass = 4.89963332329 0.681318495782 -1.38033603249 TCL: Center of mass = 4.90249176873 0.681440629292 -1.38072064254 TCL: Center of mass = 4.9053563165 0.681563255558 -1.38109492447 TCL: Center of mass = 4.90822470079 0.681690894091 -1.3814655681 TCL: Center of mass = 4.91109080987 0.681807888386 -1.38183042834 TCL: Center of mass = 4.91396027244 0.681925446664 -1.38221266959 TCL: Center of mass = 4.9168271143 0.682043232927 -1.38258434754 TCL: Center of mass = 4.91968253813 0.682167123312 -1.382963155 TCL: Center of mass = 4.92253783665 0.682293319966 -1.38334301845 TCL: Center of mass = 4.92539648794 0.682419805033 -1.38372016011 TCL: Center of mass = 4.9282509661 0.682544245179 -1.38410151034 TCL: Center of mass = 4.93110929685 0.682662681072 -1.38448995089 TCL: Center of mass = 4.9339788587 0.682779103159 -1.38487884517 TCL: Center of mass = 4.93685827229 0.682905201054 -1.38526702333 TCL: Center of mass = 4.93975071133 0.683049168808 -1.38565453632 TCL: Center of mass = 4.94263867672 0.683192132671 -1.38604151963 TCL: Center of mass = 4.94553510731 0.683337706216 -1.38642663572 TCL: Center of mass = 4.94843080874 0.683479077439 -1.38681501964 TCL: Center of mass = 4.95132383933 0.683602464025 -1.38720445472 TCL: Center of mass = 4.95422576398 0.683725218124 -1.38761532065 TCL: Center of mass = 4.9571348281 0.683843370502 -1.38802262769 TCL: Center of mass = 4.96003506778 0.683950191569 -1.3884258618 TCL: Center of mass = 4.96293695048 0.684043315409 -1.38883380884 TCL: Center of mass = 4.96584396402 0.68411612847 -1.38924192302 TCL: Center of mass = 4.96876278444 0.684193929416 -1.389647819 TCL: Center of mass = 4.97169780505 0.68427214949 -1.39004566696 TIMING: 2700 CPU: 223.88, 0.0831274/step Wall: 273.996, 0.101888/step, 0.489629 hours remaining, 20253 kB of memory in use. ENERGY: 2700 392.2430 668.1225 420.4609 48.1163 -2736.9343 -229.5194 0.0000 0.0000 1145.9742 -291.5368 312.3100 -282.6970 -283.1878 312.5915 159.4884 140.5669 64000.0000 37.3184 37.4083 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 = 4.97464232906 0.684345730104 -1.39045084802 TCL: Center of mass = 4.97759038839 0.68443508838 -1.39085675222 TCL: Center of mass = 4.98053185333 0.684519479978 -1.39127750125 TCL: Center of mass = 4.98346435534 0.684601371714 -1.39170570126 TCL: Center of mass = 4.98641041505 0.684700229399 -1.39213783356 TCL: Center of mass = 4.98935610922 0.684792074917 -1.39256222606 TCL: Center of mass = 4.99230312088 0.684883180034 -1.3929718997 TCL: Center of mass = 4.99525490135 0.684974368381 -1.39338008417 TCL: Center of mass = 4.99818920663 0.685060439925 -1.39378721861 TCL: Center of mass = 5.00111966839 0.685149087914 -1.39420070317 TCL: Center of mass = 5.00405896532 0.685242772607 -1.39461477636 TCL: Center of mass = 5.00699181269 0.68534009014 -1.39503107162 TCL: Center of mass = 5.00993089073 0.685431356006 -1.39544714898 TCL: Center of mass = 5.01286092688 0.685535864817 -1.39586030083 TCL: Center of mass = 5.01580884263 0.685648384875 -1.39627459936 TCL: Center of mass = 5.01875767833 0.685768507482 -1.39667452225 TCL: Center of mass = 5.02170696152 0.685882440571 -1.39707235968 TCL: Center of mass = 5.02466493407 0.686003633538 -1.39746888569 TCL: Center of mass = 5.02762189933 0.686114064587 -1.39786555718 TCL: Center of mass = 5.0305814224 0.686210323424 -1.39825994101 TCL: Center of mass = 5.03354770461 0.686298947621 -1.39865298077 TCL: Center of mass = 5.03650721118 0.686377486993 -1.39904379796 TCL: Center of mass = 5.03946984122 0.686443806452 -1.3994244379 TCL: Center of mass = 5.04244990853 0.6865136608 -1.39979863231 TCL: Center of mass = 5.04542877755 0.68658487674 -1.40017178444 TCL: Center of mass = 5.04839288296 0.686659840876 -1.40054330838 TCL: Center of mass = 5.05136563087 0.686741325848 -1.40090712192 TCL: Center of mass = 5.05433643262 0.686822561086 -1.40128230495 TCL: Center of mass = 5.05731429414 0.686893243222 -1.40164655423 TCL: Center of mass = 5.06028472839 0.686965415075 -1.40200416026 TCL: Center of mass = 5.063248593 0.68703141118 -1.40236134843 TCL: Center of mass = 5.06621150072 0.687095142375 -1.40271230891 TCL: Center of mass = 5.06917634527 0.687161601399 -1.40306642418 TCL: Center of mass = 5.07214145502 0.687218837106 -1.40342134159 TCL: Center of mass = 5.07510443327 0.687264193363 -1.40378139012 TCL: Center of mass = 5.0780712849 0.687310089145 -1.4041505782 TCL: Center of mass = 5.0810442047 0.687354064378 -1.40451924672 TCL: Center of mass = 5.08401778436 0.687402149238 -1.40489987154 TCL: Center of mass = 5.08698152443 0.687448129934 -1.40528659156 TCL: Center of mass = 5.08994754017 0.687491184774 -1.4056586757 TCL: Center of mass = 5.09291423998 0.687536548621 -1.40602370404 TCL: Center of mass = 5.09588733964 0.687571622239 -1.40639004351 TCL: Center of mass = 5.09886112488 0.687603535187 -1.40676027106 TCL: Center of mass = 5.10183324476 0.687631474443 -1.40711977856 TCL: Center of mass = 5.10481803813 0.687667295091 -1.40748672636 TCL: Center of mass = 5.10779285845 0.687702122289 -1.40785519325 TCL: Center of mass = 5.11076632535 0.687750440135 -1.40821967827 TCL: Center of mass = 5.11374325635 0.687796446595 -1.40858438735 TCL: Center of mass = 5.11672888514 0.687844648753 -1.40895145185 TCL: Center of mass = 5.11970841955 0.687901003807 -1.40932819466 TCL: Center of mass = 5.12268631771 0.687958675587 -1.40970756223 TCL: Center of mass = 5.12566470637 0.688025260671 -1.41008965181 TCL: Center of mass = 5.12863687021 0.688102365691 -1.41047300946 TCL: Center of mass = 5.13160932985 0.688173690098 -1.41085653476 TCL: Center of mass = 5.13458153601 0.688247016639 -1.41124995136 TCL: Center of mass = 5.13755322634 0.688320410547 -1.41163206376 TCL: Center of mass = 5.14053136027 0.688399580418 -1.41201674887 TCL: Center of mass = 5.14350027056 0.688479355194 -1.41240867941 TCL: Center of mass = 5.1464590762 0.688560273454 -1.4127964776 TCL: Center of mass = 5.14940697957 0.688646369324 -1.41318277896 TCL: Center of mass = 5.15236286577 0.688738347075 -1.41356917497 TCL: Center of mass = 5.15531458623 0.688831855061 -1.41395049303 TCL: Center of mass = 5.15827447124 0.688925996095 -1.41432868383 TCL: Center of mass = 5.16124597033 0.689021680049 -1.41470048491 TCL: Center of mass = 5.16420867092 0.689108863542 -1.41506632465 TCL: Center of mass = 5.16716541206 0.689190164205 -1.41542749759 TCL: Center of mass = 5.17013293013 0.689277817303 -1.41578235707 TCL: Center of mass = 5.17310351893 0.689361212538 -1.41614917074 TCL: Center of mass = 5.17606234703 0.689441344474 -1.41652269072 TCL: Center of mass = 5.17902960247 0.689520302124 -1.41689639481 TCL: Center of mass = 5.18199703003 0.68959702433 -1.41726689792 TCL: Center of mass = 5.18495685674 0.689666279918 -1.41763758419 TCL: Center of mass = 5.18791701193 0.689733656888 -1.41799380421 TCL: Center of mass = 5.19088016258 0.689790122421 -1.41834677312 TCL: Center of mass = 5.19385059269 0.689843736482 -1.41869042241 TCL: Center of mass = 5.19682612492 0.689904432417 -1.41902162355 TCL: Center of mass = 5.19980996815 0.689974167474 -1.41936997364 TCL: Center of mass = 5.20279574283 0.690038124402 -1.41971868701 TCL: Center of mass = 5.20578772558 0.690103871963 -1.42007301048 TCL: Center of mass = 5.20879429167 0.690169121109 -1.42042899935 TCL: Center of mass = 5.21179171822 0.690225384062 -1.42078236014 TCL: Center of mass = 5.21478193706 0.690283414384 -1.4211398306 TCL: Center of mass = 5.21777246414 0.690340748254 -1.42150518964 TCL: Center of mass = 5.22077143972 0.690389445543 -1.42188136164 TCL: Center of mass = 5.22377559749 0.690440954333 -1.42224849878 TCL: Center of mass = 5.22679106861 0.690498828508 -1.42260654429 TCL: Center of mass = 5.22981333713 0.690562002262 -1.4229693266 TCL: Center of mass = 5.23283720993 0.69063751291 -1.42331970763 TCL: Center of mass = 5.23586352165 0.690717250098 -1.42367407367 TCL: Center of mass = 5.23888873856 0.690790329587 -1.42402448842 TCL: Center of mass = 5.24191029918 0.690859513121 -1.42438182056 TCL: Center of mass = 5.24493531557 0.690940037906 -1.42473983496 TCL: Center of mass = 5.24794964827 0.691018883005 -1.42509608381 TCL: Center of mass = 5.25096421589 0.691089835827 -1.42545596039 TCL: Center of mass = 5.25396949246 0.691175186474 -1.4258155642 TCL: Center of mass = 5.25698199952 0.691272207596 -1.42616281353 TCL: Center of mass = 5.2599916398 0.691360265157 -1.42650966895 TCL: Center of mass = 5.26299814502 0.691443083182 -1.42684764061 TCL: Center of mass = 5.26600431177 0.691518269842 -1.42718042874 TCL: Center of mass = 5.26900708936 0.691583701911 -1.42751409958 TIMING: 2800 CPU: 232.133, 0.0825275/step Wall: 284.111, 0.101152/step, 0.483282 hours remaining, 20254 kB of memory in use. ENERGY: 2800 407.1237 706.4332 424.9815 48.9894 -2779.8689 -226.5261 0.0000 0.0000 1143.6324 -275.2347 311.6718 -266.2065 -267.3129 313.5042 -355.4538 -136.0550 64000.0000 93.7336 100.1730 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 = 5.2720057873 0.691637519404 -1.42784133026 TCL: Center of mass = 5.27500616075 0.691691136606 -1.42816355314 TCL: Center of mass = 5.27801191041 0.691743696825 -1.42849125435 TCL: Center of mass = 5.28102785253 0.691804624226 -1.42882498248 TCL: Center of mass = 5.28403372131 0.6918504425 -1.42916270851 TCL: Center of mass = 5.28704863008 0.69189861647 -1.4294940507 TCL: Center of mass = 5.29006292541 0.691954897002 -1.42983005046 TCL: Center of mass = 5.2930752607 0.692004454731 -1.43017686486 TCL: Center of mass = 5.2960986929 0.692070882015 -1.43051995779 TCL: Center of mass = 5.29912544012 0.692138631753 -1.43086304219 TCL: Center of mass = 5.30215751278 0.692193663381 -1.43119138678 TCL: Center of mass = 5.30520160444 0.692237641507 -1.43152674391 TCL: Center of mass = 5.30823953793 0.692281357798 -1.43185731091 TCL: Center of mass = 5.31127470163 0.692323205332 -1.43219420132 TCL: Center of mass = 5.31430877939 0.692368181361 -1.43253418154 TCL: Center of mass = 5.31734279438 0.692408164148 -1.43287918985 TCL: Center of mass = 5.32036442811 0.692449138158 -1.4332130219 TCL: Center of mass = 5.32339271583 0.692490618779 -1.43354471328 TCL: Center of mass = 5.32642009186 0.692541543263 -1.43386668554 TCL: Center of mass = 5.32945005432 0.692596221244 -1.43417879619 TCL: Center of mass = 5.332489463 0.692654212559 -1.43449608427 TCL: Center of mass = 5.33552283504 0.692720117741 -1.43481071957 TCL: Center of mass = 5.33856120668 0.692777854326 -1.43512683565 TCL: Center of mass = 5.3415984369 0.692828419413 -1.43544314869 TCL: Center of mass = 5.34463297415 0.692897695063 -1.43575546939 TCL: Center of mass = 5.34766461915 0.692963512282 -1.43606741128 TCL: Center of mass = 5.3506910903 0.693015870896 -1.43638058811 TCL: Center of mass = 5.35372048811 0.69305919339 -1.43668912702 TCL: Center of mass = 5.35674691945 0.693110638399 -1.4369901814 TCL: Center of mass = 5.35976382801 0.693159561137 -1.43728491678 TCL: Center of mass = 5.36277519672 0.693223791331 -1.43757496274 TCL: Center of mass = 5.36577701668 0.693303102829 -1.43786440416 TCL: Center of mass = 5.36878282971 0.693394104282 -1.43815204176 TCL: Center of mass = 5.37179479988 0.693488201782 -1.43843618937 TCL: Center of mass = 5.37480116187 0.693584229684 -1.43872938521 TCL: Center of mass = 5.37781661236 0.693675273199 -1.43901660582 TCL: Center of mass = 5.38082863046 0.693767519956 -1.43931162972 TCL: Center of mass = 5.38384039722 0.693860575786 -1.43960413366 TCL: Center of mass = 5.38685768055 0.693945942265 -1.43990614603 TCL: Center of mass = 5.38987130529 0.694037868925 -1.4402083663 TCL: Center of mass = 5.39288003102 0.694126488304 -1.44051125002 TCL: Center of mass = 5.39588038369 0.694218997367 -1.44080523868 TCL: Center of mass = 5.39887486742 0.69430858126 -1.4410916014 TCL: Center of mass = 5.4018777768 0.694395022117 -1.44138227969 TCL: Center of mass = 5.40488056397 0.694493876932 -1.44167513984 TCL: Center of mass = 5.40787359992 0.694591120352 -1.44197654303 TCL: Center of mass = 5.41086913211 0.694682698921 -1.44227621655 TCL: Center of mass = 5.41387301692 0.694768734193 -1.44257959473 TCL: Center of mass = 5.41686347642 0.694860259964 -1.44288748394 TCL: Center of mass = 5.41985371825 0.694952579104 -1.44318226291 TCL: Center of mass = 5.42283926421 0.695046920299 -1.44347657922 TCL: Center of mass = 5.42582949691 0.695146032415 -1.44378410747 TCL: Center of mass = 5.42880983656 0.695237436667 -1.44410583242 TCL: Center of mass = 5.43178931935 0.695333542269 -1.44443141813 TCL: Center of mass = 5.43476766021 0.695429163922 -1.44476209631 TCL: Center of mass = 5.43774318689 0.695516839444 -1.44509452863 TCL: Center of mass = 5.44072092716 0.69559739817 -1.44542379358 TCL: Center of mass = 5.44371091718 0.695676318023 -1.44573555488 TCL: Center of mass = 5.44671290188 0.69575866979 -1.44603913839 TCL: Center of mass = 5.44970508779 0.695835026241 -1.44634373677 TCL: Center of mass = 5.45269038861 0.695913124631 -1.44665964956 TCL: Center of mass = 5.45567834353 0.695981348737 -1.44697652721 TCL: Center of mass = 5.45865704173 0.696062658905 -1.44729621108 TCL: Center of mass = 5.46164413106 0.696150697186 -1.44761319915 TCL: Center of mass = 5.46463355044 0.696231931916 -1.44793272449 TCL: Center of mass = 5.46761226567 0.696303404073 -1.44824768256 TCL: Center of mass = 5.47059371783 0.69637573891 -1.44855816687 TCL: Center of mass = 5.47357799137 0.696453314775 -1.44887059366 TCL: Center of mass = 5.47656453827 0.696529352885 -1.44918865342 TCL: Center of mass = 5.47956493823 0.696612512869 -1.44950982422 TCL: Center of mass = 5.48255688426 0.696690468482 -1.44983260608 TCL: Center of mass = 5.4855572587 0.696773373985 -1.45015446286 TCL: Center of mass = 5.48855763516 0.696849888647 -1.45047316411 TCL: Center of mass = 5.49157023615 0.69692420023 -1.45078255844 TCL: Center of mass = 5.49458947005 0.697008861595 -1.45108068077 TCL: Center of mass = 5.49759706015 0.697104890501 -1.45136000143 TCL: Center of mass = 5.5006090763 0.697205489995 -1.45163144432 TCL: Center of mass = 5.50361075944 0.697302957846 -1.4519000277 TCL: Center of mass = 5.50660066806 0.697391932937 -1.45218004818 TCL: Center of mass = 5.50959436223 0.697468422944 -1.45246129943 TCL: Center of mass = 5.51258895715 0.697536744519 -1.45274200162 TCL: Center of mass = 5.51558616539 0.697592023578 -1.45303003529 TCL: Center of mass = 5.51859971598 0.697633169972 -1.45332023408 TCL: Center of mass = 5.52161884707 0.697672569451 -1.45363471311 TCL: Center of mass = 5.52464834353 0.697705189185 -1.45394636046 TCL: Center of mass = 5.52767106849 0.697748454016 -1.45425735892 TCL: Center of mass = 5.53069045749 0.697790943785 -1.45456243506 TCL: Center of mass = 5.53370203444 0.697846964527 -1.45486933344 TCL: Center of mass = 5.53671681225 0.697910398058 -1.45517639148 TCL: Center of mass = 5.53973410061 0.697984904179 -1.45547261331 TCL: Center of mass = 5.54276188216 0.698050443637 -1.4557739397 TCL: Center of mass = 5.54579007042 0.698123939284 -1.45607274784 TCL: Center of mass = 5.54881603468 0.698199515417 -1.45636510123 TCL: Center of mass = 5.55185169603 0.698271149668 -1.45665411583 TCL: Center of mass = 5.55487767556 0.698342743455 -1.45693765676 TCL: Center of mass = 5.55790314677 0.698412782573 -1.45722654865 TCL: Center of mass = 5.5609277468 0.698478390301 -1.45752166919 TCL: Center of mass = 5.56395817585 0.698551249748 -1.4578088831 TCL: Center of mass = 5.56699248896 0.698609384179 -1.4580845366 TCL: Center of mass = 5.57003106362 0.698674351531 -1.45834631455 TIMING: 2900 CPU: 240.46, 0.0832773/step Wall: 294.326, 0.102153/step, 0.485225 hours remaining, 20262 kB of memory in use. ENERGY: 2900 422.2489 692.9396 425.8662 48.7191 -2803.4974 -224.2207 0.0000 0.0000 1136.8623 -301.0819 309.8268 -292.2322 -292.1294 314.0381 140.8507 110.7234 64000.0000 33.0627 25.7986 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 = 5.57306703815 0.698744063505 -1.45860698198 TCL: Center of mass = 5.57610138704 0.69879923346 -1.45887622055 TCL: Center of mass = 5.57914324585 0.698857005396 -1.45914605434 TCL: Center of mass = 5.5821838942 0.698917712904 -1.45939930689 TCL: Center of mass = 5.58523187346 0.69898384381 -1.45966063846 TCL: Center of mass = 5.58826537849 0.69905259439 -1.45991719743 TCL: Center of mass = 5.59129729211 0.69911257532 -1.46018075371 TCL: Center of mass = 5.59432907543 0.699174364712 -1.46044849563 TCL: Center of mass = 5.59736709388 0.699235077151 -1.46071251395 TCL: Center of mass = 5.60039427774 0.699307777755 -1.46097928896 TCL: Center of mass = 5.60342056255 0.699371434791 -1.46124795784 TCL: Center of mass = 5.60643942491 0.69943823696 -1.46151839314 TCL: Center of mass = 5.60945762118 0.69951115368 -1.46177751824 TCL: Center of mass = 5.61247792202 0.69958035523 -1.46203744645 TCL: Center of mass = 5.61550105133 0.699642976436 -1.46229928856 TCL: Center of mass = 5.61852787609 0.699707620762 -1.46255266503 TCL: Center of mass = 5.62155954127 0.699767790749 -1.46280450201 TCL: Center of mass = 5.62458796161 0.699817075419 -1.46305825025 TCL: Center of mass = 5.62761723469 0.699871449889 -1.46331708397 TCL: Center of mass = 5.63064971804 0.699915345857 -1.463570792 TCL: Center of mass = 5.63368118672 0.699978003813 -1.46382096466 TCL: Center of mass = 5.63671000138 0.700053067483 -1.46407451948 TCL: Center of mass = 5.6397422529 0.700128940142 -1.46432872803 TCL: Center of mass = 5.64277359051 0.700211889405 -1.46459023478 TCL: Center of mass = 5.64582146656 0.700299220793 -1.46485583818 TCL: Center of mass = 5.64888543613 0.7003752598 -1.46512331078 TCL: Center of mass = 5.65194750108 0.700457229722 -1.46539680618 TCL: Center of mass = 5.65500721018 0.70052742286 -1.46568677496 TCL: Center of mass = 5.65805907693 0.700594233802 -1.46597820672 TCL: Center of mass = 5.66110869199 0.700659717845 -1.46628932724 TCL: Center of mass = 5.66415461934 0.700721231755 -1.46660116945 TCL: Center of mass = 5.66719416475 0.700779006011 -1.46691568405 TCL: Center of mass = 5.67023635124 0.700834271592 -1.46722830341 TCL: Center of mass = 5.6732814706 0.700906151919 -1.46753773801 TCL: Center of mass = 5.67633036986 0.700969533193 -1.46784278114 TCL: Center of mass = 5.679376028 0.701017411381 -1.46814175367 TCL: Center of mass = 5.68242053496 0.701053048007 -1.46844576121 TCL: Center of mass = 5.68546962502 0.701086022375 -1.46875656344 TCL: Center of mass = 5.68852223297 0.701123726453 -1.46906215058 TCL: Center of mass = 5.69157748867 0.701148800465 -1.46936687998 TCL: Center of mass = 5.69464050008 0.701171172791 -1.46967655406 TCL: Center of mass = 5.69770865253 0.70120299982 -1.46999460372 TCL: Center of mass = 5.70077383199 0.701230428456 -1.47031462652 TCL: Center of mass = 5.70383722354 0.701264744244 -1.47063186347 TCL: Center of mass = 5.70690069468 0.701294580134 -1.4709485585 TCL: Center of mass = 5.7099621496 0.701315575531 -1.47127595641 TCL: Center of mass = 5.7130261901 0.701341153969 -1.47160430526 TCL: Center of mass = 5.71609801844 0.701358450695 -1.4719223971 TCL: Center of mass = 5.71916447855 0.701373771364 -1.47225238324 TCL: Center of mass = 5.72223733225 0.701387720782 -1.4725915897 TCL: Center of mass = 5.72530006835 0.701409523543 -1.47292938463 TCL: Center of mass = 5.7283409206 0.7014362111 -1.47326324889 TCL: Center of mass = 5.73138508835 0.70145421452 -1.47359836664 TCL: Center of mass = 5.73441577108 0.701458964755 -1.47392789629 TCL: Center of mass = 5.73743500361 0.701454871762 -1.47427282993 TCL: Center of mass = 5.74044806777 0.701454378143 -1.4746226254 TCL: Center of mass = 5.74346799327 0.701446918715 -1.47497816037 TCL: Center of mass = 5.74648167315 0.701435455744 -1.47532802893 TCL: Center of mass = 5.74948310103 0.701420137637 -1.47566923209 TCL: Center of mass = 5.7524895137 0.701416334572 -1.47601086033 TCL: Center of mass = 5.75549549721 0.701414554535 -1.47636335796 TCL: Center of mass = 5.75849970687 0.701410255483 -1.47670527168 TCL: Center of mass = 5.76150293122 0.701421787151 -1.47706294919 TCL: Center of mass = 5.76451855828 0.701444805189 -1.4773981073 TCL: Center of mass = 5.76752697567 0.701473173587 -1.47772821309 TCL: Center of mass = 5.77053338366 0.701497535398 -1.47803764446 TCL: Center of mass = 5.77353119413 0.70151841384 -1.47835035949 TCL: Center of mass = 5.77654446753 0.701536946635 -1.4786703767 TCL: Center of mass = 5.77955301583 0.701561057866 -1.47898322328 TCL: Center of mass = 5.78257010035 0.701585162095 -1.47929871638 TCL: Center of mass = 5.78558685193 0.701616014193 -1.47960752422 TCL: Center of mass = 5.78861051219 0.701635070467 -1.47990674648 TCL: Center of mass = 5.79163486932 0.701661964289 -1.48020329105 TCL: Center of mass = 5.79466646258 0.701685657213 -1.48050698858 TCL: Center of mass = 5.79769507038 0.701702949118 -1.48080362696 TCL: Center of mass = 5.8007151543 0.701728387443 -1.48110363055 TCL: Center of mass = 5.80373796347 0.701756684345 -1.48140028685 TCL: Center of mass = 5.80677586659 0.701781377448 -1.48169537077 TCL: Center of mass = 5.80980138187 0.701815792484 -1.48199558092 TCL: Center of mass = 5.81282959529 0.701858479375 -1.48227755649 TCL: Center of mass = 5.81586474587 0.701899321074 -1.48257946395 TCL: Center of mass = 5.81890155184 0.701943463297 -1.48286871021 TCL: Center of mass = 5.82194312568 0.701973782641 -1.48315780268 TCL: Center of mass = 5.82498646667 0.702006327523 -1.48344141871 TCL: Center of mass = 5.82803063464 0.70203138776 -1.48372614538 TCL: Center of mass = 5.8310756839 0.702064319182 -1.4840062162 TCL: Center of mass = 5.83412952773 0.702083895738 -1.484283729 TCL: Center of mass = 5.83718152836 0.702114459674 -1.48457123655 TCL: Center of mass = 5.84023320872 0.702143000008 -1.48486557856 TCL: Center of mass = 5.8432821196 0.702173932989 -1.4851463691 TCL: Center of mass = 5.84632795829 0.702204661389 -1.48542007308 TCL: Center of mass = 5.8493771563 0.70224707462 -1.48570345229 TCL: Center of mass = 5.85242526148 0.702290733023 -1.48597736304 TCL: Center of mass = 5.8554735096 0.702330705261 -1.48623748469 TCL: Center of mass = 5.85853635026 0.702375997874 -1.48649482122 TCL: Center of mass = 5.8615986627 0.702417132851 -1.48676014923 TCL: Center of mass = 5.86464883381 0.702455573698 -1.48702619095 TCL: Center of mass = 5.86769974931 0.70249197619 -1.48728856625 TCL: Center of mass = 5.87074770334 0.702535734467 -1.48754617132 TCL: Center of mass = 5.87380627491 0.702587962254 -1.4878104761 TIMING: 3000 CPU: 248.739, 0.0827874/step Wall: 304.488, 0.101618/step, 0.479861 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: 3000 421.4791 706.6730 409.7632 42.8659 -2794.9724 -215.0844 0.0000 0.0000 1140.9636 -288.3119 310.9445 -279.9015 -278.4124 312.0680 319.2071 296.1993 64000.0000 321.0533 321.9260 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 = 5.87687129039 0.702639163916 -1.48807862675 TCL: Center of mass = 5.87993555381 0.702686603934 -1.48835339949 TCL: Center of mass = 5.8830022774 0.7027259833 -1.48862979001 TCL: Center of mass = 5.8860751733 0.702760208698 -1.48890849803 TCL: Center of mass = 5.88915370304 0.702787931176 -1.48917952481 TCL: Center of mass = 5.89222245378 0.702813758878 -1.48945562025 TCL: Center of mass = 5.89528531441 0.702837431927 -1.48973713551 TCL: Center of mass = 5.89834570329 0.702869681335 -1.4900220331 TCL: Center of mass = 5.90140333196 0.702895673031 -1.49031635227 TCL: Center of mass = 5.90445421712 0.702914753275 -1.49060920655 TCL: Center of mass = 5.90751214354 0.70293060052 -1.49089675368 TCL: Center of mass = 5.91055395337 0.702933947139 -1.49117617704 TCL: Center of mass = 5.91361046568 0.702921231324 -1.4914431388 TCL: Center of mass = 5.91666525534 0.702912447748 -1.4917050113 TCL: Center of mass = 5.91972317233 0.702898414712 -1.49196386455 TCL: Center of mass = 5.92276843902 0.702894032498 -1.49222973651 TCL: Center of mass = 5.92580031985 0.70288321217 -1.4924881337 TCL: Center of mass = 5.92883243961 0.702874195054 -1.49275722221 TCL: Center of mass = 5.93186731649 0.702869493979 -1.49302898576 TCL: Center of mass = 5.93489735515 0.702863885893 -1.49330638455 TCL: Center of mass = 5.93792561299 0.702862510511 -1.493591537 TCL: Center of mass = 5.94094654812 0.702869345002 -1.49387773846 TCL: Center of mass = 5.9439625729 0.70288663142 -1.49415600135 TCL: Center of mass = 5.94696604162 0.702909553913 -1.4944274917 TCL: Center of mass = 5.94996461731 0.702921060157 -1.49469704087 TCL: Center of mass = 5.95296061314 0.70292409575 -1.4949628289 TCL: Center of mass = 5.95595247775 0.702936116119 -1.49522698633 TCL: Center of mass = 5.95895037446 0.702954400193 -1.49548842816 TCL: Center of mass = 5.96195346822 0.702967999409 -1.49574375185 TCL: Center of mass = 5.96494840621 0.702979016548 -1.49598715101 TCL: Center of mass = 5.96794660535 0.702991838129 -1.49623125006 TCL: Center of mass = 5.97094040678 0.703010308883 -1.49647862786 TCL: Center of mass = 5.97392214388 0.703018930616 -1.49672156099 TCL: Center of mass = 5.97691535858 0.703036974024 -1.49697381692 TCL: Center of mass = 5.97991103796 0.703049535038 -1.49722889686 TCL: Center of mass = 5.98290051809 0.703061503735 -1.4974726474 TCL: Center of mass = 5.98589523103 0.703063843566 -1.49770592475 TCL: Center of mass = 5.98889197832 0.70306355235 -1.49792917301 TCL: Center of mass = 5.99188400262 0.703075873399 -1.49814646512 TCL: Center of mass = 5.99488385129 0.703086907671 -1.4983550866 TCL: Center of mass = 5.99788728281 0.703081577282 -1.49857430865 TCL: Center of mass = 6.00089229202 0.703099209395 -1.49878736129 TCL: Center of mass = 6.00390071293 0.703124428471 -1.49899472376 TCL: Center of mass = 6.00690395499 0.703141821783 -1.49920651943 TCL: Center of mass = 6.00990767242 0.703148909949 -1.49941890009 TCL: Center of mass = 6.01291016155 0.703155631681 -1.49963014612 TCL: Center of mass = 6.01591314585 0.703177341656 -1.49983484464 TCL: Center of mass = 6.01892050372 0.703204374748 -1.50003676267 TCL: Center of mass = 6.02193085114 0.703226326135 -1.50023477204 TCL: Center of mass = 6.02494810859 0.703256674323 -1.50042630188 TCL: Center of mass = 6.02796477176 0.703283822339 -1.50060359695 TCL: Center of mass = 6.03098484248 0.703316822833 -1.5007976006 TCL: Center of mass = 6.03401311743 0.703353330461 -1.50099409131 TCL: Center of mass = 6.03703702408 0.703379117017 -1.50118221929 TCL: Center of mass = 6.04006439609 0.70340147215 -1.50138105507 TCL: Center of mass = 6.04309498606 0.703423856085 -1.50157394738 TCL: Center of mass = 6.04612313198 0.7034468864 -1.50176269699 TCL: Center of mass = 6.04915769857 0.703476773316 -1.50195257115 TCL: Center of mass = 6.052191282 0.703512989916 -1.50214715768 TCL: Center of mass = 6.05523403246 0.703541661803 -1.50233903493 TCL: Center of mass = 6.05827679265 0.703568054863 -1.50252225058 TCL: Center of mass = 6.06131511056 0.703607512577 -1.50270054226 TCL: Center of mass = 6.06435370531 0.703644664823 -1.50288066619 TCL: Center of mass = 6.06739755933 0.703685953004 -1.50306421011 TCL: Center of mass = 6.07043763993 0.703726982045 -1.50324713453 TCL: Center of mass = 6.07347688266 0.703775602364 -1.50343001981 TCL: Center of mass = 6.07650737198 0.703826869775 -1.50361866154 TCL: Center of mass = 6.07953616939 0.703872257402 -1.50380685448 TCL: Center of mass = 6.08256479396 0.703911005782 -1.50399395231 TCL: Center of mass = 6.08559521031 0.7039493362 -1.50418486479 TCL: Center of mass = 6.08862867095 0.703985494862 -1.50436660293 TCL: Center of mass = 6.09166644057 0.704025608231 -1.50454101045 TCL: Center of mass = 6.09469748735 0.704063975285 -1.50471945568 TCL: Center of mass = 6.09773020425 0.704109425467 -1.50489695016 TCL: Center of mass = 6.10076536417 0.70415483417 -1.50507534791 TCL: Center of mass = 6.10380501023 0.704200134484 -1.50525507422 TCL: Center of mass = 6.10684146574 0.704247476273 -1.50543500681 TCL: Center of mass = 6.10988517716 0.704289583047 -1.5056118359 TCL: Center of mass = 6.11293244974 0.704333524343 -1.50578194958 TCL: Center of mass = 6.11599845201 0.704387187272 -1.50597204213 TCL: Center of mass = 6.11906721051 0.70444706316 -1.50617246245 TCL: Center of mass = 6.12213762488 0.70451518671 -1.50637356863 TCL: Center of mass = 6.12520044936 0.704574282032 -1.50657560694 TCL: Center of mass = 6.12826791365 0.704632343435 -1.5067830111 TCL: Center of mass = 6.13133659717 0.704697576234 -1.5069889192 TCL: Center of mass = 6.13440215512 0.704763430447 -1.50720123681 TCL: Center of mass = 6.13748181234 0.704824209355 -1.50741631255 TCL: Center of mass = 6.14056844382 0.704888507307 -1.50762802203 TCL: Center of mass = 6.14365946233 0.704950050962 -1.50784463165 TCL: Center of mass = 6.14674578292 0.705017916466 -1.5080560069 TCL: Center of mass = 6.14982921015 0.705091972866 -1.50826949896 TCL: Center of mass = 6.15291201318 0.705172078245 -1.50848299873 TCL: Center of mass = 6.15599684343 0.705261836409 -1.50869937732 TCL: Center of mass = 6.15908025412 0.705349541122 -1.50890251264 TCL: Center of mass = 6.16217717503 0.705431008472 -1.50910096355 TCL: Center of mass = 6.16528033611 0.705520372438 -1.50928520874 TCL: Center of mass = 6.1683840304 0.70560983609 -1.50947719596 TCL: Center of mass = 6.17149729093 0.705702326487 -1.50966901469 TCL: Center of mass = 6.17461866523 0.705787322814 -1.50986085796 TCL: Center of mass = 6.17773375249 0.705874902855 -1.51005902013 TIMING: 3100 CPU: 257.062, 0.0832274/step Wall: 314.712, 0.102241/step, 0.479967 hours remaining, 20276 kB of memory in use. ENERGY: 3100 421.2774 698.7497 420.2234 46.9049 -2815.5838 -212.4937 0.0000 0.0000 1158.7276 -282.1944 315.7857 -273.6979 -272.6552 312.5586 -232.1028 -194.4546 64000.0000 220.9960 218.0633 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 = 6.18084679463 0.70596191325 -1.51026128523 TCL: Center of mass = 6.18395806749 0.706045264316 -1.51046036545 TCL: Center of mass = 6.18705466215 0.706118521983 -1.51066116924 TCL: Center of mass = 6.19014561774 0.706182714847 -1.51085947398 TCL: Center of mass = 6.19323057952 0.706248347816 -1.51105182966 TCL: Center of mass = 6.19631238797 0.706306191163 -1.51123797348 TCL: Center of mass = 6.19938748919 0.706366824242 -1.51143861161 TCL: Center of mass = 6.20246653299 0.706430791783 -1.51164491265 TCL: Center of mass = 6.20553756491 0.706480193092 -1.51184400066 TCL: Center of mass = 6.20861099728 0.706528949079 -1.51204636152 TCL: Center of mass = 6.2116801901 0.706577871709 -1.51225492463 TCL: Center of mass = 6.21475902073 0.706618655454 -1.51247135765 TCL: Center of mass = 6.21783871578 0.706644949806 -1.51269652159 TCL: Center of mass = 6.22092426639 0.706673127514 -1.5129288007 TCL: Center of mass = 6.22400781984 0.706702114779 -1.51316039414 TCL: Center of mass = 6.2270852961 0.706730298169 -1.51339580034 TCL: Center of mass = 6.23016155493 0.706766465453 -1.51364198624 TCL: Center of mass = 6.23323613573 0.70679349076 -1.51390251465 TCL: Center of mass = 6.23631693035 0.706816489567 -1.51416385947 TCL: Center of mass = 6.23941174386 0.706833292552 -1.51442447551 TCL: Center of mass = 6.24250845704 0.706839436937 -1.51467283327 TCL: Center of mass = 6.24559517083 0.706845903263 -1.51491762192 TCL: Center of mass = 6.24869026196 0.706853006117 -1.51516730893 TCL: Center of mass = 6.25177712963 0.706859326269 -1.5154157597 TCL: Center of mass = 6.25486219804 0.706860997884 -1.51566421598 TCL: Center of mass = 6.25794554454 0.706874618779 -1.5159184167 TCL: Center of mass = 6.26103789654 0.706888061045 -1.51617113698 TCL: Center of mass = 6.26413230911 0.706896882677 -1.51642854224 TCL: Center of mass = 6.26722030929 0.706913882007 -1.51669243154 TCL: Center of mass = 6.27029758033 0.706925153069 -1.51695502304 TCL: Center of mass = 6.27336504215 0.706938385712 -1.51721549268 TCL: Center of mass = 6.27644804883 0.706957593822 -1.51748393374 TCL: Center of mass = 6.27953151411 0.706974463497 -1.5177530731 TCL: Center of mass = 6.28261481424 0.706983587129 -1.51801252406 TCL: Center of mass = 6.2856933889 0.706993704389 -1.51827768317 TCL: Center of mass = 6.28877544633 0.707013172097 -1.51855211163 TCL: Center of mass = 6.29185814994 0.707033742589 -1.51883160016 TCL: Center of mass = 6.29494755865 0.707050424541 -1.5190998656 TCL: Center of mass = 6.2980338374 0.707080298027 -1.51936167915 TCL: Center of mass = 6.301119821 0.707102868329 -1.51962364863 TCL: Center of mass = 6.30419950019 0.707130709294 -1.51988393104 TCL: Center of mass = 6.30728649065 0.707172652403 -1.52015163488 TCL: Center of mass = 6.31037986656 0.707212762158 -1.52042408068 TCL: Center of mass = 6.31347294902 0.707255088815 -1.52069455081 TCL: Center of mass = 6.31656444462 0.707304543099 -1.52096715735 TCL: Center of mass = 6.31963986937 0.707358352112 -1.52125568395 TCL: Center of mass = 6.32270548705 0.707409131143 -1.52154171389 TCL: Center of mass = 6.32577148129 0.707453951501 -1.52183257688 TCL: Center of mass = 6.32883609587 0.707492415361 -1.52212000362 TCL: Center of mass = 6.3318968255 0.707533994486 -1.52241429604 TCL: Center of mass = 6.33495336836 0.707569828364 -1.5227264389 TCL: Center of mass = 6.33799950669 0.707604128112 -1.52303581573 TCL: Center of mass = 6.34104664427 0.707636885042 -1.52334342932 TCL: Center of mass = 6.34409316707 0.707688110064 -1.52365457808 TCL: Center of mass = 6.34712860144 0.707741866907 -1.52396659187 TCL: Center of mass = 6.35016103397 0.707797223715 -1.52428033502 TCL: Center of mass = 6.35318884136 0.707846481027 -1.52459455728 TCL: Center of mass = 6.35621107203 0.707899449393 -1.52491112284 TCL: Center of mass = 6.35921936587 0.707958451155 -1.52522844598 TCL: Center of mass = 6.36223635655 0.708022235885 -1.52554236335 TCL: Center of mass = 6.36524355325 0.708079116732 -1.52586138457 TCL: Center of mass = 6.36823799813 0.708132996648 -1.52616509888 TCL: Center of mass = 6.37123863335 0.708183589986 -1.5264660938 TCL: Center of mass = 6.37424578256 0.708237810073 -1.52677007161 TCL: Center of mass = 6.37725982987 0.708293525 -1.52707025723 TCL: Center of mass = 6.380277983 0.708348352086 -1.527379535 TCL: Center of mass = 6.38329155093 0.708393359048 -1.52769225578 TCL: Center of mass = 6.38629655644 0.708440397841 -1.52800156035 TCL: Center of mass = 6.38929885274 0.708487038752 -1.528315906 TCL: Center of mass = 6.39228718292 0.708514903015 -1.52863000507 TCL: Center of mass = 6.39526701649 0.708540664815 -1.52894770366 TCL: Center of mass = 6.39824935176 0.708559297879 -1.52926371789 TCL: Center of mass = 6.40123563588 0.708579895545 -1.52957968989 TCL: Center of mass = 6.40423469058 0.708594018593 -1.52990051219 TCL: Center of mass = 6.40723297744 0.708617373362 -1.53022073573 TCL: Center of mass = 6.41022774751 0.708646934552 -1.53055106689 TCL: Center of mass = 6.41321558333 0.708671285888 -1.53087417122 TCL: Center of mass = 6.41620666366 0.708696604394 -1.53120281357 TCL: Center of mass = 6.41919027572 0.708728562102 -1.53153362578 TCL: Center of mass = 6.42218049989 0.708752398074 -1.53187526452 TCL: Center of mass = 6.42516738707 0.708771615663 -1.53221827783 TCL: Center of mass = 6.42813284834 0.708796164941 -1.53254609046 TCL: Center of mass = 6.4310972212 0.708815581313 -1.53287096197 TCL: Center of mass = 6.43407104246 0.70884305238 -1.53318889318 TCL: Center of mass = 6.43703959386 0.70887248283 -1.53350861833 TCL: Center of mass = 6.44000368619 0.708898506873 -1.53383908529 TCL: Center of mass = 6.44297564273 0.708921924693 -1.53417278461 TCL: Center of mass = 6.44594734299 0.70894708193 -1.53451830453 TCL: Center of mass = 6.4489257481 0.708979469649 -1.53485810255 TCL: Center of mass = 6.45190942536 0.709014632589 -1.5352010115 TCL: Center of mass = 6.45488339179 0.709047417455 -1.53554344409 TCL: Center of mass = 6.45786084888 0.709065564438 -1.53588554979 TCL: Center of mass = 6.4608374698 0.709071493699 -1.53623063756 TCL: Center of mass = 6.46381785075 0.709080513842 -1.53656463994 TCL: Center of mass = 6.46679960544 0.709090471107 -1.5368983105 TCL: Center of mass = 6.46978444663 0.709098488154 -1.53723909516 TCL: Center of mass = 6.47278004803 0.709096883064 -1.5375743705 TCL: Center of mass = 6.47578535571 0.709098073481 -1.53791467167 TCL: Center of mass = 6.47879640696 0.709100944314 -1.53826644339 TCL: Center of mass = 6.48180580465 0.709095789538 -1.53861953574 TIMING: 3200 CPU: 265.39, 0.0832773/step Wall: 324.932, 0.1022/step, 0.476934 hours remaining, 20286 kB of memory in use. ENERGY: 3200 398.0612 688.3630 414.7688 40.6076 -2750.1911 -212.4907 0.0000 0.0000 1126.1051 -294.7761 306.8951 -286.0750 -285.3322 312.8463 689.0744 681.3521 64000.0000 366.8628 368.5379 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 = 6.48481739912 0.709075012895 -1.53897320771 TCL: Center of mass = 6.48783683525 0.709050184484 -1.53930907361 TCL: Center of mass = 6.49085137269 0.709033632614 -1.53964913385 TCL: Center of mass = 6.49385873135 0.709017767861 -1.54000214478 TCL: Center of mass = 6.49686371452 0.708998592844 -1.54035604033 TCL: Center of mass = 6.49987016249 0.708994437768 -1.5407191268 TCL: Center of mass = 6.5028626549 0.708994651195 -1.54108077452 TCL: Center of mass = 6.50586456855 0.709006440344 -1.54143804381 TCL: Center of mass = 6.50887664154 0.709012728469 -1.54179412178 TCL: Center of mass = 6.51189305032 0.709019578436 -1.54214967263 TCL: Center of mass = 6.51490426177 0.709015194677 -1.54250899279 TCL: Center of mass = 6.51790819216 0.709027032892 -1.54287306411 TCL: Center of mass = 6.52090866093 0.709032686724 -1.54325004647 TCL: Center of mass = 6.52389894499 0.709044359902 -1.54362808778 TCL: Center of mass = 6.52688572888 0.709059266143 -1.54400824792 TCL: Center of mass = 6.52988032786 0.709080407287 -1.54439978264 TCL: Center of mass = 6.53288712122 0.709105326866 -1.54478514198 TCL: Center of mass = 6.5359017685 0.709141588494 -1.54516748511 TCL: Center of mass = 6.53890729297 0.709184780267 -1.54554043954 TCL: Center of mass = 6.54190737074 0.709231635376 -1.54590332572 TCL: Center of mass = 6.54489373664 0.709278225701 -1.54626160215 TCL: Center of mass = 6.54788028971 0.709324547882 -1.54661573646 TCL: Center of mass = 6.55086736995 0.709376884546 -1.54697815226 TCL: Center of mass = 6.55384735114 0.709432551122 -1.54732180779 TCL: Center of mass = 6.55682716257 0.709487772853 -1.54766790793 TCL: Center of mass = 6.55981569373 0.709535508702 -1.54801874899 TCL: Center of mass = 6.56280954461 0.709594177183 -1.54835994239 TCL: Center of mass = 6.56581757267 0.70965833436 -1.54870169818 TCL: Center of mass = 6.56883336949 0.709715281759 -1.54903969762 TCL: Center of mass = 6.57185804563 0.7097724114 -1.54937707863 TCL: Center of mass = 6.57488800858 0.7098201806 -1.54970925267 TCL: Center of mass = 6.57792703083 0.709869484763 -1.55005206496 TCL: Center of mass = 6.5809675576 0.709905466589 -1.55040116106 TCL: Center of mass = 6.5840115512 0.709943575262 -1.55075217612 TCL: Center of mass = 6.58705385534 0.709976693845 -1.55109878399 TCL: Center of mass = 6.59009976868 0.710014415105 -1.55144556545 TCL: Center of mass = 6.59313180989 0.710053868763 -1.55178993116 TCL: Center of mass = 6.59617735439 0.710102311346 -1.55213587614 TCL: Center of mass = 6.59922456519 0.710139555214 -1.55248365307 TCL: Center of mass = 6.60226862662 0.710164127161 -1.55283753861 TCL: Center of mass = 6.6053054383 0.710195733859 -1.55318092818 TCL: Center of mass = 6.60834959185 0.710218658051 -1.55354254959 TCL: Center of mass = 6.61139830813 0.710240285807 -1.55389843756 TCL: Center of mass = 6.61444000498 0.710257017876 -1.55425006605 TCL: Center of mass = 6.61748712856 0.710277356932 -1.55460148736 TCL: Center of mass = 6.62053463848 0.710292663677 -1.55495982512 TCL: Center of mass = 6.62358827815 0.710303798531 -1.55531444248 TCL: Center of mass = 6.62663833846 0.710312292945 -1.55565515102 TCL: Center of mass = 6.6296914971 0.710322038735 -1.55599418884 TCL: Center of mass = 6.63275144908 0.710320928422 -1.55633882252 TCL: Center of mass = 6.63581346287 0.710323089549 -1.55668611659 TCL: Center of mass = 6.63888364418 0.710329933705 -1.55701974366 TCL: Center of mass = 6.64195708034 0.710345585076 -1.5573506097 TCL: Center of mass = 6.64502805036 0.710354363018 -1.55769194955 TCL: Center of mass = 6.64809497287 0.710370311343 -1.55803041552 TCL: Center of mass = 6.65115383419 0.710383136279 -1.55837550686 TCL: Center of mass = 6.6542035563 0.710404171846 -1.55871113077 TCL: Center of mass = 6.65725839151 0.710424270041 -1.55906189685 TCL: Center of mass = 6.660324942 0.710440146736 -1.55941815593 TCL: Center of mass = 6.66337856375 0.710449572059 -1.55978463504 TCL: Center of mass = 6.6664281366 0.710476177386 -1.56014474078 TCL: Center of mass = 6.66948614249 0.710504833973 -1.56050418159 TCL: Center of mass = 6.67253766063 0.710537315707 -1.56085906368 TCL: Center of mass = 6.67560007666 0.71056519277 -1.56121710486 TCL: Center of mass = 6.67866393953 0.710586975623 -1.56157765748 TCL: Center of mass = 6.68173901341 0.710597724205 -1.56194204022 TCL: Center of mass = 6.68480618585 0.710608812782 -1.56231128553 TCL: Center of mass = 6.68787850056 0.71062248094 -1.56267030259 TCL: Center of mass = 6.69094979567 0.710639279004 -1.56302429553 TCL: Center of mass = 6.69401795855 0.710654750885 -1.56337824991 TCL: Center of mass = 6.69707988 0.710677731502 -1.56374001917 TCL: Center of mass = 6.70013862485 0.71070116823 -1.56411062686 TCL: Center of mass = 6.70319056101 0.710736054995 -1.5644897847 TCL: Center of mass = 6.70622832249 0.710771194644 -1.56487033879 TCL: Center of mass = 6.70926811593 0.710800224663 -1.56525409515 TCL: Center of mass = 6.71230226459 0.710813746632 -1.56563437415 TCL: Center of mass = 6.71531942705 0.710826851726 -1.5660093623 TCL: Center of mass = 6.71834348761 0.710845028256 -1.56637671678 TCL: Center of mass = 6.72136229929 0.71086358391 -1.56674055286 TCL: Center of mass = 6.72438600953 0.710876219659 -1.56709880145 TCL: Center of mass = 6.72742251708 0.710888710472 -1.56746803706 TCL: Center of mass = 6.73046487408 0.710900827367 -1.56783443766 TCL: Center of mass = 6.73350850549 0.710907354905 -1.56820630494 TCL: Center of mass = 6.73655267323 0.710909366315 -1.56857746261 TCL: Center of mass = 6.7395992837 0.710919691743 -1.56895015006 TCL: Center of mass = 6.7426444995 0.710945105228 -1.56933020076 TCL: Center of mass = 6.74568826967 0.710980313208 -1.56970887303 TCL: Center of mass = 6.74873133489 0.711018380725 -1.57008542549 TCL: Center of mass = 6.75177811135 0.711065409818 -1.57045525515 TCL: Center of mass = 6.75482791514 0.711115087249 -1.57083757032 TCL: Center of mass = 6.75788709734 0.711177568368 -1.57121442126 TCL: Center of mass = 6.76095104763 0.711250859183 -1.57158947448 TCL: Center of mass = 6.7640082309 0.711329280625 -1.57196968875 TCL: Center of mass = 6.76706792173 0.711420132605 -1.57234285126 TCL: Center of mass = 6.77012944074 0.711503136248 -1.57271394253 TCL: Center of mass = 6.77318659414 0.71158427273 -1.57308681681 TCL: Center of mass = 6.77625158799 0.711672176674 -1.57346120415 TCL: Center of mass = 6.77931905185 0.711755326836 -1.57382246468 TCL: Center of mass = 6.78239354194 0.711849631215 -1.57418517523 TCL: Center of mass = 6.78546660337 0.711940595973 -1.57454620505 TIMING: 3300 CPU: 273.696, 0.0830674/step Wall: 335.131, 0.101987/step, 0.473106 hours remaining, 20297 kB of memory in use. ENERGY: 3300 425.7287 692.6797 410.4133 36.9443 -2770.1362 -232.0146 0.0000 0.0000 1152.7963 -283.5884 314.1692 -275.1159 -273.7132 310.5594 1.3720 -6.2110 64000.0000 -16.0159 -18.0165 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 = 6.7885387976 0.71204491501 -1.57490618568 TCL: Center of mass = 6.79159849158 0.712146779617 -1.57526401787 TCL: Center of mass = 6.79465591225 0.712246066394 -1.57562636501 TCL: Center of mass = 6.79770979408 0.71234483667 -1.57598028566 TCL: Center of mass = 6.80076624175 0.712444034165 -1.57632805967 TCL: Center of mass = 6.80382683341 0.712544629905 -1.57667418211 TCL: Center of mass = 6.80688948365 0.712639811117 -1.57701619943 TCL: Center of mass = 6.80995928102 0.71272784291 -1.57736583784 TCL: Center of mass = 6.81304031626 0.712809883471 -1.57771341119 TCL: Center of mass = 6.81611424498 0.712885863475 -1.57807582638 TCL: Center of mass = 6.81917312339 0.712950480025 -1.57844275695 TCL: Center of mass = 6.822226996 0.71301207904 -1.57881396303 TCL: Center of mass = 6.82527523124 0.713062239017 -1.57918695534 TCL: Center of mass = 6.82832513689 0.713117782584 -1.57954994564 TCL: Center of mass = 6.83137876554 0.713171207766 -1.57991630577 TCL: Center of mass = 6.83441848697 0.71321212448 -1.580267386 TCL: Center of mass = 6.83745379955 0.713266046745 -1.58062536117 TCL: Center of mass = 6.84049183656 0.713320655596 -1.58099236147 TCL: Center of mass = 6.8435152543 0.713375645095 -1.58136282617 TCL: Center of mass = 6.8465490845 0.713419346171 -1.58173575876 TCL: Center of mass = 6.84957980942 0.713462896448 -1.58211765377 TCL: Center of mass = 6.85261347004 0.71350030788 -1.58249809865 TCL: Center of mass = 6.85564907881 0.713544957259 -1.58287810856 TCL: Center of mass = 6.85869314702 0.713582230825 -1.58325362284 TCL: Center of mass = 6.86172617517 0.71362500858 -1.58362659729 TCL: Center of mass = 6.8647682237 0.713667835157 -1.58399461688 TCL: Center of mass = 6.86780708569 0.713707440451 -1.5843522169 TCL: Center of mass = 6.87084409817 0.713729770605 -1.58472578947 TCL: Center of mass = 6.87388148873 0.713764017465 -1.58511823835 TCL: Center of mass = 6.87691466897 0.713805864683 -1.58550499782 TCL: Center of mass = 6.87994355659 0.713848765044 -1.58589042264 TCL: Center of mass = 6.88297170926 0.713891350909 -1.58627871679 TCL: Center of mass = 6.88599810809 0.713938434651 -1.58666803741 TCL: Center of mass = 6.88901964233 0.714000499362 -1.5870684802 TCL: Center of mass = 6.89204687587 0.714067233431 -1.58746711882 TCL: Center of mass = 6.89507326881 0.714134827031 -1.58786789783 TCL: Center of mass = 6.89808747469 0.714199351665 -1.5882678164 TCL: Center of mass = 6.90109437029 0.714268759835 -1.58866802293 TCL: Center of mass = 6.90409992709 0.714347547075 -1.58908238654 TCL: Center of mass = 6.90711177217 0.714435536582 -1.58951101051 TCL: Center of mass = 6.91012084956 0.7145205133 -1.58993485398 TCL: Center of mass = 6.91313598995 0.71460024683 -1.59036839296 TCL: Center of mass = 6.91616763243 0.714678690955 -1.590806148 TCL: Center of mass = 6.91920065817 0.714762470152 -1.59123331614 TCL: Center of mass = 6.92224709074 0.714843366056 -1.59166958842 TCL: Center of mass = 6.92529356632 0.714931372812 -1.5920873284 TCL: Center of mass = 6.92833805988 0.715013935902 -1.59250396388 TCL: Center of mass = 6.93139019143 0.715105339973 -1.59291428728 TCL: Center of mass = 6.93445879979 0.715201782503 -1.5933294088 TCL: Center of mass = 6.93752171354 0.715294817994 -1.59374530484 TCL: Center of mass = 6.94056977023 0.715394685849 -1.59416707567 TCL: Center of mass = 6.94363752889 0.715498268142 -1.59459900654 TCL: Center of mass = 6.94671203432 0.715598613442 -1.59503428361 TCL: Center of mass = 6.94978050765 0.715708682732 -1.59546885286 TCL: Center of mass = 6.95286056732 0.715820017707 -1.59591090703 TCL: Center of mass = 6.95592948617 0.715914625335 -1.59636066966 TCL: Center of mass = 6.95899846359 0.716010288148 -1.59682021737 TCL: Center of mass = 6.96207056391 0.716094557599 -1.59727567592 TCL: Center of mass = 6.96512609338 0.716174165038 -1.59773979712 TCL: Center of mass = 6.96817906896 0.716247482755 -1.59819863133 TCL: Center of mass = 6.971215138 0.716306443397 -1.59865959447 TCL: Center of mass = 6.97425143664 0.71636848408 -1.59910780952 TCL: Center of mass = 6.9772906462 0.716426954801 -1.59955904564 TCL: Center of mass = 6.98032805039 0.71647739667 -1.60001527323 TCL: Center of mass = 6.98338026377 0.716527043508 -1.60048224013 TCL: Center of mass = 6.9864287486 0.716581101892 -1.60094708092 TCL: Center of mass = 6.98947996987 0.716632025669 -1.60140569059 TCL: Center of mass = 6.9925309226 0.716671086606 -1.60186724821 TCL: Center of mass = 6.99558295707 0.716708264037 -1.60232687404 TCL: Center of mass = 6.99864653286 0.716738383443 -1.60278322292 TCL: Center of mass = 7.00170778141 0.716775375259 -1.60323363282 TCL: Center of mass = 7.00477587334 0.716799965886 -1.60368574249 TCL: Center of mass = 7.00783438547 0.716839907386 -1.60414431267 TCL: Center of mass = 7.01089712021 0.716882469642 -1.60460280363 TCL: Center of mass = 7.01396319543 0.716921296611 -1.60506367655 TCL: Center of mass = 7.01703623229 0.716978267295 -1.60553388932 TCL: Center of mass = 7.02010579093 0.717017727614 -1.60600577696 TCL: Center of mass = 7.02318683446 0.717053209284 -1.60647073149 TCL: Center of mass = 7.02627013161 0.717086597561 -1.6069424784 TCL: Center of mass = 7.02935827059 0.717125902075 -1.60741748194 TCL: Center of mass = 7.03245129842 0.7171743338 -1.6078865704 TCL: Center of mass = 7.03554703667 0.717224475416 -1.60835427595 TCL: Center of mass = 7.03864138238 0.71727760628 -1.60881566011 TCL: Center of mass = 7.04175158769 0.717325547666 -1.60928371754 TCL: Center of mass = 7.04486333416 0.717374848493 -1.60974888794 TCL: Center of mass = 7.04797640519 0.717436356105 -1.61021283081 TCL: Center of mass = 7.05108686244 0.717498162925 -1.61067067584 TCL: Center of mass = 7.05419315108 0.717561011131 -1.61111815296 TCL: Center of mass = 7.05730899141 0.717621381801 -1.61156497147 TCL: Center of mass = 7.06042732224 0.717678556159 -1.61199804878 TCL: Center of mass = 7.06355493084 0.717741894266 -1.61244817943 TCL: Center of mass = 7.06668038185 0.717795693974 -1.61289414141 TCL: Center of mass = 7.06981179453 0.717864328218 -1.61334040872 TCL: Center of mass = 7.07292986207 0.717940627992 -1.61378537688 TCL: Center of mass = 7.07605621868 0.71803023024 -1.61423180176 TCL: Center of mass = 7.07917896517 0.718119265943 -1.61467353615 TCL: Center of mass = 7.08229506585 0.718196202381 -1.61511654574 TCL: Center of mass = 7.08540957685 0.718283225655 -1.61555389941 TCL: Center of mass = 7.08852079335 0.718378899816 -1.6159823756 TCL: Center of mass = 7.09162691676 0.718483345768 -1.61642191676 TIMING: 3400 CPU: 282.063, 0.0836673/step Wall: 345.401, 0.1027/step, 0.473559 hours remaining, 20301 kB of memory in use. ENERGY: 3400 402.5798 687.5821 428.4257 55.9959 -2774.6695 -221.2022 0.0000 0.0000 1146.1426 -275.1456 312.3559 -266.3946 -266.2225 313.2150 -40.4303 68.3216 64000.0000 31.3082 37.3494 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 = 7.09473373584 0.718586409692 -1.61686416945 TCL: Center of mass = 7.09784903647 0.718685662011 -1.6172949863 TCL: Center of mass = 7.1009731423 0.71877619113 -1.6177288717 TCL: Center of mass = 7.10410128347 0.718861871972 -1.6181642517 TCL: Center of mass = 7.10722320122 0.718942701541 -1.61858894558 TCL: Center of mass = 7.11034454038 0.719016908745 -1.61901706725 TCL: Center of mass = 7.11347166988 0.719082508121 -1.61944857883 TCL: Center of mass = 7.1166020443 0.719154708902 -1.61988193069 TCL: Center of mass = 7.11974592274 0.719222777341 -1.62031308294 TCL: Center of mass = 7.12289796108 0.719285794554 -1.62074597225 TCL: Center of mass = 7.12605486365 0.719332609058 -1.62117826221 TCL: Center of mass = 7.12921708593 0.719371397872 -1.62161724815 TCL: Center of mass = 7.13239107052 0.719401307573 -1.62205434133 TCL: Center of mass = 7.13556488085 0.719434054417 -1.6224803441 TCL: Center of mass = 7.13873000705 0.719477304156 -1.62290954279 TCL: Center of mass = 7.14189877521 0.719527876487 -1.62332690024 TCL: Center of mass = 7.14506878387 0.719572071695 -1.62375222701 TCL: Center of mass = 7.14823216164 0.719630088408 -1.62419004083 TCL: Center of mass = 7.15138780286 0.719688544171 -1.62462840796 TCL: Center of mass = 7.15454664997 0.719755310512 -1.62507325891 TCL: Center of mass = 7.15770536634 0.719829956823 -1.62552194343 TCL: Center of mass = 7.16086586505 0.719905523745 -1.62598128833 TCL: Center of mass = 7.16403492673 0.719977605213 -1.62642981057 TCL: Center of mass = 7.16720442387 0.720059503996 -1.62688086893 TCL: Center of mass = 7.17037645526 0.720136346898 -1.62734428301 TCL: Center of mass = 7.17355695409 0.720213486432 -1.62780664337 TCL: Center of mass = 7.17674108963 0.720299447815 -1.62825873268 TCL: Center of mass = 7.17993743583 0.72037740916 -1.62871218219 TCL: Center of mass = 7.18313867272 0.720456961477 -1.62916609929 TCL: Center of mass = 7.18633762401 0.720533477208 -1.62961754687 TCL: Center of mass = 7.18952766763 0.720605801454 -1.63006577269 TCL: Center of mass = 7.19273166191 0.72067771645 -1.63052125818 TCL: Center of mass = 7.19593337856 0.720759627592 -1.63095961217 TCL: Center of mass = 7.19912983858 0.720844964404 -1.63140281341 TCL: Center of mass = 7.20233606127 0.720928242226 -1.63184005515 TCL: Center of mass = 7.20553632404 0.721009988711 -1.63227422223 TCL: Center of mass = 7.20873683806 0.721098541975 -1.63270978958 TCL: Center of mass = 7.21193162443 0.721193350331 -1.63313775336 TCL: Center of mass = 7.21513152686 0.721285988438 -1.63357082217 TCL: Center of mass = 7.21832539549 0.721373020105 -1.63399272372 TCL: Center of mass = 7.22151493231 0.721468042861 -1.63441813739 TCL: Center of mass = 7.22469413761 0.721568234329 -1.63484759488 TCL: Center of mass = 7.22788819409 0.721667200618 -1.63527127662 TCL: Center of mass = 7.23107923539 0.721766009258 -1.6356964717 TCL: Center of mass = 7.23425602484 0.721870731895 -1.63612776804 TCL: Center of mass = 7.23742856789 0.721972384422 -1.63656109438 TCL: Center of mass = 7.2406010112 0.722072593638 -1.63700250208 TCL: Center of mass = 7.24376462396 0.722167645901 -1.63743477818 TCL: Center of mass = 7.24694239064 0.72227363459 -1.63785520759 TCL: Center of mass = 7.25012061716 0.722372934132 -1.63827403429 TCL: Center of mass = 7.25329678993 0.722467904439 -1.63869440943 TCL: Center of mass = 7.25648673698 0.722562314562 -1.63911092171 TCL: Center of mass = 7.25967662023 0.722661465139 -1.63953107174 TCL: Center of mass = 7.26287706277 0.722763637034 -1.63995799177 TCL: Center of mass = 7.26607756319 0.722856781085 -1.64038268987 TCL: Center of mass = 7.26928009189 0.72294311822 -1.64081127292 TCL: Center of mass = 7.27247474338 0.723039664173 -1.64123188083 TCL: Center of mass = 7.27567436338 0.723145118739 -1.6416534526 TCL: Center of mass = 7.27887207516 0.723248408127 -1.64206790564 TCL: Center of mass = 7.28205581025 0.723360174034 -1.64248880962 TCL: Center of mass = 7.28524381967 0.723465712528 -1.64290952747 TCL: Center of mass = 7.28842966281 0.723565638038 -1.64333408334 TCL: Center of mass = 7.29160712487 0.72368139271 -1.64375454307 TCL: Center of mass = 7.29478598977 0.723792820784 -1.64417814092 TCL: Center of mass = 7.2979661878 0.723912395706 -1.64459319352 TCL: Center of mass = 7.30113650277 0.724026971585 -1.6450175086 TCL: Center of mass = 7.30430043581 0.724143241363 -1.64542797299 TCL: Center of mass = 7.30746695299 0.724262246781 -1.64584702313 TCL: Center of mass = 7.31062723673 0.724375594007 -1.64626846269 TCL: Center of mass = 7.31379450185 0.724482979796 -1.64668315154 TCL: Center of mass = 7.31695025162 0.72459256564 -1.64711154137 TCL: Center of mass = 7.32009165359 0.724697640812 -1.64751340125 TCL: Center of mass = 7.32324179834 0.724805561439 -1.64790257258 TCL: Center of mass = 7.32638609259 0.724917201387 -1.64829517262 TCL: Center of mass = 7.3295303994 0.725022298982 -1.64869382923 TCL: Center of mass = 7.33267977792 0.725127270631 -1.64909120866 TCL: Center of mass = 7.33583786485 0.725223085177 -1.64948856898 TCL: Center of mass = 7.33899514439 0.72530075441 -1.64989549616 TCL: Center of mass = 7.3421486203 0.725378249529 -1.65029048095 TCL: Center of mass = 7.34530339473 0.72543734841 -1.6506876981 TCL: Center of mass = 7.3484687059 0.725488310981 -1.65107473114 TCL: Center of mass = 7.35162434985 0.725544000785 -1.65145550123 TCL: Center of mass = 7.35477573555 0.725594102329 -1.65183539793 TCL: Center of mass = 7.35793074949 0.725655251658 -1.6522229594 TCL: Center of mass = 7.36108719218 0.725697565965 -1.65260123735 TCL: Center of mass = 7.36423887256 0.725739551007 -1.6529759937 TCL: Center of mass = 7.36738618266 0.725778043081 -1.65335505057 TCL: Center of mass = 7.37053348355 0.725807505488 -1.65373006489 TCL: Center of mass = 7.37367029392 0.725828852809 -1.65409750786 TCL: Center of mass = 7.3768053122 0.725861683555 -1.65447510702 TCL: Center of mass = 7.37994345426 0.72588909146 -1.65486477198 TCL: Center of mass = 7.38308768572 0.725902915501 -1.65525885506 TCL: Center of mass = 7.38623200375 0.725909845256 -1.65565271811 TCL: Center of mass = 7.38937290266 0.725929118021 -1.65605355193 TCL: Center of mass = 7.39251306264 0.725934004516 -1.65645916176 TCL: Center of mass = 7.39564468603 0.725941372143 -1.65687422315 TCL: Center of mass = 7.39876900522 0.725954169442 -1.65728232303 TCL: Center of mass = 7.40190264672 0.72595529841 -1.65768309747 TCL: Center of mass = 7.40503584609 0.725946102752 -1.65808429478 TCL: Center of mass = 7.40816920714 0.725939581903 -1.65847429391 TIMING: 3500 CPU: 290.363, 0.0829974/step Wall: 355.573, 0.101726/step, 0.466245 hours remaining, 20305 kB of memory in use. ENERGY: 3500 414.8135 675.9254 420.2180 48.4623 -2773.2056 -213.9082 0.0000 0.0000 1152.8540 -274.8406 314.1850 -265.4773 -267.0309 317.7128 497.1459 302.1002 64000.0000 108.2521 106.6136 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 = 7.41131730139 0.725927937034 -1.65885484837 TCL: Center of mass = 7.41446095407 0.72591274499 -1.65924294001 TCL: Center of mass = 7.41761092582 0.725895375096 -1.65962217794 TCL: Center of mass = 7.42075965071 0.725874741671 -1.66000534032 TCL: Center of mass = 7.42389792942 0.725862097223 -1.66039003906 TCL: Center of mass = 7.42704039014 0.725840506888 -1.66077463802 TCL: Center of mass = 7.43017209271 0.725827909944 -1.66114972392 TCL: Center of mass = 7.43330160514 0.725819654753 -1.66152849607 TCL: Center of mass = 7.43643821287 0.725808940957 -1.66189937505 TCL: Center of mass = 7.43957392995 0.725795155911 -1.66226279122 TCL: Center of mass = 7.44270962096 0.725785953292 -1.66262875317 TCL: Center of mass = 7.44584204584 0.725777474052 -1.66300017819 TCL: Center of mass = 7.44897248703 0.725769682412 -1.66336788912 TCL: Center of mass = 7.45210628486 0.725763128874 -1.6637258827 TCL: Center of mass = 7.45523327287 0.725771566445 -1.66406336581 TCL: Center of mass = 7.45835386416 0.72578420967 -1.66439696214 TCL: Center of mass = 7.46147823999 0.725811911754 -1.66473328106 TCL: Center of mass = 7.46460297662 0.725844303161 -1.66506946779 TCL: Center of mass = 7.46773000973 0.725876166561 -1.66541302453 TCL: Center of mass = 7.47085694696 0.725906559718 -1.66575674542 TCL: Center of mass = 7.47397317394 0.72593063511 -1.66611383437 TCL: Center of mass = 7.47710540409 0.725947930829 -1.66647325171 TCL: Center of mass = 7.48023665262 0.725958913718 -1.66684350766 TCL: Center of mass = 7.48337812462 0.725960744166 -1.6672213626 TCL: Center of mass = 7.48652264242 0.725973324919 -1.66760433836 TCL: Center of mass = 7.48966105728 0.725989066511 -1.66797359882 TCL: Center of mass = 7.49279351141 0.726007400995 -1.6683461712 TCL: Center of mass = 7.49592282116 0.726026421098 -1.66872406839 TCL: Center of mass = 7.49905182092 0.726058015654 -1.66909792131 TCL: Center of mass = 7.50218068836 0.726097255548 -1.66946416963 TCL: Center of mass = 7.50530320628 0.726122946172 -1.66982976887 TCL: Center of mass = 7.50842457303 0.726144567432 -1.67019810541 TCL: Center of mass = 7.51155122718 0.726160838618 -1.67057838218 TCL: Center of mass = 7.51466798213 0.726166261322 -1.67095911041 TCL: Center of mass = 7.51777325716 0.726165840254 -1.67135137122 TCL: Center of mass = 7.52087149448 0.726167285704 -1.67174361822 TCL: Center of mass = 7.52397418637 0.726171064701 -1.67212440943 TCL: Center of mass = 7.52707153431 0.726183267648 -1.67250056624 TCL: Center of mass = 7.53017290412 0.726198068886 -1.67287822034 TCL: Center of mass = 7.53328382067 0.726217942718 -1.67325301991 TCL: Center of mass = 7.53638790919 0.726240332627 -1.67362288921 TCL: Center of mass = 7.53948890226 0.726257595834 -1.6739979798 TCL: Center of mass = 7.54258638706 0.726266900828 -1.67437746403 TCL: Center of mass = 7.54568280592 0.726275494097 -1.6747615035 TCL: Center of mass = 7.54877498185 0.726294813483 -1.67514825704 TCL: Center of mass = 7.5518778685 0.726314413369 -1.67554038294 TCL: Center of mass = 7.5549737906 0.726325403105 -1.67593075592 TCL: Center of mass = 7.55807065794 0.726334263858 -1.67632951156 TCL: Center of mass = 7.56117367484 0.726352311378 -1.67673504958 TCL: Center of mass = 7.56426620648 0.726373165905 -1.67715215577 TCL: Center of mass = 7.56735859093 0.726397832463 -1.67756376344 TCL: Center of mass = 7.57044975513 0.72642992841 -1.67796382238 TCL: Center of mass = 7.57354531097 0.726458918946 -1.67836278772 TCL: Center of mass = 7.57664867824 0.72650056833 -1.67875719007 TCL: Center of mass = 7.57976091226 0.726546857697 -1.67915064564 TCL: Center of mass = 7.58287372489 0.726587195997 -1.67953937115 TCL: Center of mass = 7.58598912111 0.726626797601 -1.6799274273 TCL: Center of mass = 7.58910989986 0.726660828817 -1.68031404465 TCL: Center of mass = 7.59222907656 0.726684171167 -1.68069580836 TCL: Center of mass = 7.59534306684 0.726702718503 -1.68106945721 TCL: Center of mass = 7.59845052191 0.726723243422 -1.68145240812 TCL: Center of mass = 7.60155345622 0.726743799682 -1.68183839978 TCL: Center of mass = 7.60465265465 0.726769770101 -1.68221493896 TCL: Center of mass = 7.60775364231 0.726790767034 -1.68259661918 TCL: Center of mass = 7.61084417478 0.72682793995 -1.68298028262 TCL: Center of mass = 7.61394326467 0.72686874782 -1.68337378157 TCL: Center of mass = 7.61704609729 0.726911436074 -1.68376374232 TCL: Center of mass = 7.62014396505 0.726950337242 -1.68414691126 TCL: Center of mass = 7.62324009821 0.726987951144 -1.68452817962 TCL: Center of mass = 7.62633625927 0.727032259297 -1.68490438588 TCL: Center of mass = 7.62943315729 0.727075432893 -1.68527354332 TCL: Center of mass = 7.63252775138 0.727120940696 -1.685654949 TCL: Center of mass = 7.63562881729 0.727166885971 -1.68604061333 TCL: Center of mass = 7.63873055334 0.727202266925 -1.68643142745 TCL: Center of mass = 7.64182725965 0.727227793496 -1.68682189411 TCL: Center of mass = 7.64493236576 0.727247031642 -1.68721546994 TCL: Center of mass = 7.64803196481 0.727263431935 -1.687606836 TCL: Center of mass = 7.6511356692 0.727289091464 -1.68800624649 TCL: Center of mass = 7.65424084897 0.727311402893 -1.68840586995 TCL: Center of mass = 7.65734556139 0.727337179216 -1.688801269 TCL: Center of mass = 7.66044837565 0.72735850819 -1.68920238168 TCL: Center of mass = 7.66354420055 0.727393018683 -1.68960004262 TCL: Center of mass = 7.6666303357 0.727417592824 -1.6899943472 TCL: Center of mass = 7.66971518121 0.72743612171 -1.69037992281 TCL: Center of mass = 7.67279971231 0.727456712443 -1.69076351458 TCL: Center of mass = 7.67587011027 0.727470508106 -1.69115493186 TCL: Center of mass = 7.6789555341 0.727490164028 -1.69153511824 TCL: Center of mass = 7.68203997338 0.727515575202 -1.69191148334 TCL: Center of mass = 7.68511716325 0.727544400828 -1.69228046663 TCL: Center of mass = 7.68819114842 0.727582553927 -1.69264200959 TCL: Center of mass = 7.69127159981 0.727615427334 -1.692999039 TCL: Center of mass = 7.69435449256 0.727646249073 -1.69335866887 TCL: Center of mass = 7.69743947131 0.727675952758 -1.69372191008 TCL: Center of mass = 7.70052770472 0.727707867049 -1.69408862703 TCL: Center of mass = 7.70361222376 0.727747063889 -1.69445889434 TCL: Center of mass = 7.70669403373 0.727787726484 -1.69483641199 TCL: Center of mass = 7.70978077607 0.727840505274 -1.69521156149 TCL: Center of mass = 7.71287080014 0.727893145316 -1.69558898187 TCL: Center of mass = 7.71595392138 0.727949114291 -1.69596555051 TCL: Center of mass = 7.71903227679 0.72800944617 -1.69634669655 TIMING: 3600 CPU: 298.849, 0.0848571/step Wall: 401.076, 0.455027/step, 2.0729 hours remaining, 20326 kB of memory in use. ENERGY: 3600 397.0121 658.0799 441.0534 49.4429 -2799.7525 -223.9044 0.0000 0.0000 1193.1864 -284.8822 325.1767 -275.9169 -275.8053 314.7779 -181.1063 -198.0083 64000.0000 301.4046 305.1765 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 = 7.72211077991 0.728085688542 -1.69673292513 TCL: Center of mass = 7.72520293503 0.728163836704 -1.69712173334 TCL: Center of mass = 7.72829409114 0.728259637693 -1.69751052027 TCL: Center of mass = 7.73140072508 0.728349985643 -1.69789245195 TCL: Center of mass = 7.73450074944 0.728450483681 -1.69827273166 TCL: Center of mass = 7.73759549122 0.728550593429 -1.69864996002 TCL: Center of mass = 7.74068670432 0.7286536862 -1.69903436461 TCL: Center of mass = 7.74378956315 0.728763815611 -1.69940993234 TCL: Center of mass = 7.74688521136 0.728873631397 -1.69978247993 TCL: Center of mass = 7.74997868524 0.728978981221 -1.70016093394 TCL: Center of mass = 7.75307579271 0.72907252236 -1.70053906999 TCL: Center of mass = 7.75617102486 0.729164191105 -1.70090830195 TCL: Center of mass = 7.7592668608 0.729261157525 -1.70127097399 TCL: Center of mass = 7.76236368517 0.72936874007 -1.70163615332 TCL: Center of mass = 7.76545257277 0.729479317903 -1.70199319158 TCL: Center of mass = 7.76852832331 0.729586911401 -1.70234332104 TCL: Center of mass = 7.77159294337 0.729692279079 -1.70269406788 TCL: Center of mass = 7.77465797634 0.729781140664 -1.70305903247 TCL: Center of mass = 7.77771616775 0.7298707545 -1.7034267394 TCL: Center of mass = 7.78078935333 0.729970946975 -1.70378986662 TCL: Center of mass = 7.78386238706 0.730070858611 -1.70416070343 TCL: Center of mass = 7.78693968731 0.730170534432 -1.70454239481 TCL: Center of mass = 7.7900218196 0.730267177252 -1.70491914562 TCL: Center of mass = 7.79310789744 0.730356822487 -1.70529112079 TCL: Center of mass = 7.79617949678 0.730443599614 -1.70565944029 TCL: Center of mass = 7.79924389863 0.730532849605 -1.70602177299 TCL: Center of mass = 7.80231345043 0.730624115806 -1.70637591854 TCL: Center of mass = 7.80538710371 0.73071222535 -1.70672899178 TCL: Center of mass = 7.80846939891 0.730789896144 -1.70707801027 TCL: Center of mass = 7.81154528623 0.73086968304 -1.70741922619 TCL: Center of mass = 7.81460930531 0.730946547446 -1.70775867533 TCL: Center of mass = 7.81767199278 0.731028482437 -1.70810940309 TCL: Center of mass = 7.82072934189 0.731115288524 -1.70846700262 TCL: Center of mass = 7.82377985497 0.73120650723 -1.70882972202 TCL: Center of mass = 7.82682748444 0.731294867842 -1.70919081788 TCL: Center of mass = 7.82988232395 0.731377367124 -1.70956211169 TCL: Center of mass = 7.8329427952 0.731465998083 -1.70993403486 TCL: Center of mass = 7.83600075255 0.731545792259 -1.71031341165 TCL: Center of mass = 7.8390578626 0.731615774939 -1.71069187476 TCL: Center of mass = 7.84212435017 0.73167659918 -1.71106177658 TCL: Center of mass = 7.84518807681 0.731731150954 -1.71142069573 TCL: Center of mass = 7.84824883997 0.731777347883 -1.71178719417 TCL: Center of mass = 7.85130999264 0.731823131936 -1.71214553663 TCL: Center of mass = 7.85435960203 0.731860330962 -1.71250611069 TCL: Center of mass = 7.85740686689 0.731895424288 -1.71287862615 TCL: Center of mass = 7.86045131775 0.731930496726 -1.71325485327 TCL: Center of mass = 7.86350125474 0.731967348735 -1.71362841061 TCL: Center of mass = 7.86654486683 0.732009331566 -1.71399730347 TCL: Center of mass = 7.86958920658 0.73204775592 -1.7143693397 TCL: Center of mass = 7.8726466387 0.732091803653 -1.71473966355 TCL: Center of mass = 7.87570837941 0.732128344528 -1.71510091171 TCL: Center of mass = 7.8787764437 0.732157053974 -1.71545893594 TCL: Center of mass = 7.88185173078 0.732194835976 -1.71579895859 TCL: Center of mass = 7.88492200423 0.732242296685 -1.71613936761 TCL: Center of mass = 7.88799142568 0.73228443491 -1.71645579653 TCL: Center of mass = 7.89106212504 0.732325986811 -1.71677485728 TCL: Center of mass = 7.89412939148 0.732367838487 -1.71709898709 TCL: Center of mass = 7.89719810324 0.732408167106 -1.71742800518 TCL: Center of mass = 7.90026093597 0.732446995376 -1.71776004878 TCL: Center of mass = 7.90332768706 0.732473162189 -1.71808535502 TCL: Center of mass = 7.90639639036 0.732504015988 -1.71840482412 TCL: Center of mass = 7.909467636 0.732550385365 -1.71873086934 TCL: Center of mass = 7.91254811452 0.732597692907 -1.71906679821 TCL: Center of mass = 7.91563423818 0.73266674611 -1.71941315923 TCL: Center of mass = 7.91871868639 0.732736714921 -1.71975958512 TCL: Center of mass = 7.92180912699 0.732803417788 -1.72009410699 TCL: Center of mass = 7.92489352408 0.732856823273 -1.72044049477 TCL: Center of mass = 7.92798013148 0.732905202022 -1.72078269387 TCL: Center of mass = 7.93108231056 0.732946140824 -1.72113117211 TCL: Center of mass = 7.93416553234 0.732982461756 -1.72149040498 TCL: Center of mass = 7.93724785561 0.733014966617 -1.72185001568 TCL: Center of mass = 7.94032898681 0.733051257182 -1.72221181383 TCL: Center of mass = 7.94340815605 0.733080201339 -1.7225635984 TCL: Center of mass = 7.94649042853 0.7330980242 -1.72291144015 TCL: Center of mass = 7.94958346406 0.733115005079 -1.72324706826 TCL: Center of mass = 7.95267428895 0.733121729435 -1.72358946719 TCL: Center of mass = 7.9557617658 0.733130494234 -1.72392905196 TCL: Center of mass = 7.95886043694 0.733139232845 -1.72425880618 TCL: Center of mass = 7.9619634496 0.733139766758 -1.72459816204 TCL: Center of mass = 7.96507311799 0.733132951956 -1.72494131791 TCL: Center of mass = 7.9681947255 0.733120900606 -1.72528675085 TCL: Center of mass = 7.97131167639 0.73310880839 -1.72563115982 TCL: Center of mass = 7.97442204522 0.733099328215 -1.72598310005 TCL: Center of mass = 7.9775406007 0.733102087807 -1.72633526986 TCL: Center of mass = 7.98066501817 0.733106320725 -1.72667662123 TCL: Center of mass = 7.98378653082 0.733109956936 -1.72701692083 TCL: Center of mass = 7.9869216992 0.73312333777 -1.72735648859 TCL: Center of mass = 7.99005751622 0.733140801862 -1.72770918763 TCL: Center of mass = 7.99318523499 0.73315469325 -1.7280596485 TCL: Center of mass = 7.99631831525 0.733172789115 -1.72842160102 TCL: Center of mass = 7.9994614326 0.733187988931 -1.72876528132 TCL: Center of mass = 8.00260912028 0.733206561209 -1.72911585752 TCL: Center of mass = 8.00575939636 0.733220395006 -1.72946240839 TCL: Center of mass = 8.00889881253 0.733236160084 -1.72980068604 TCL: Center of mass = 8.01204422137 0.73325122473 -1.73014140556 TCL: Center of mass = 8.01519228248 0.733265977784 -1.73048857898 TCL: Center of mass = 8.01835229896 0.733278416408 -1.73083227965 TCL: Center of mass = 8.02151227367 0.73329341155 -1.73118750062 TCL: Center of mass = 8.02466493539 0.733302221415 -1.73153834194 TCL: Center of mass = 8.02782110636 0.733305060292 -1.73189432991 TIMING: 3700 CPU: 307.23, 0.0838173/step Wall: 376.036, -0.250403/step, -1.13377 hours remaining, 20327 kB of memory in use. ENERGY: 3700 428.9920 682.7509 437.5491 48.8502 -2782.4029 -222.9077 0.0000 0.0000 1118.0591 -289.1093 304.7024 -279.6200 -281.6147 314.8842 -160.2128 20.7236 64000.0000 254.8326 250.7421 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 = 8.03097659114 0.733304098287 -1.7322430353 TCL: Center of mass = 8.03413310958 0.733289659288 -1.73257001581 TCL: Center of mass = 8.03728337888 0.733271188789 -1.73289596299 TCL: Center of mass = 8.04043831996 0.733254732175 -1.73322115027 TCL: Center of mass = 8.04359167326 0.733236857673 -1.73354681424 TCL: Center of mass = 8.0467504528 0.733217009165 -1.733878499 TCL: Center of mass = 8.04991784745 0.733195371307 -1.73421272796 TCL: Center of mass = 8.05308869149 0.733170195102 -1.73455788024 TCL: Center of mass = 8.0562724902 0.733146103348 -1.73490800907 TCL: Center of mass = 8.05946595229 0.733123141066 -1.73524855341 TCL: Center of mass = 8.06266519318 0.733092938068 -1.7356021955 TCL: Center of mass = 8.06586682841 0.733051503765 -1.73594529209 TCL: Center of mass = 8.06906095207 0.733008898109 -1.7362807709 TCL: Center of mass = 8.07225687164 0.732970233924 -1.73661759213 TCL: Center of mass = 8.07545677815 0.732940014949 -1.73695565339 TCL: Center of mass = 8.07865657245 0.73291013688 -1.7372930613 TCL: Center of mass = 8.08185563556 0.732879546779 -1.73762687409 TCL: Center of mass = 8.08506249057 0.732854468375 -1.7379476707 TCL: Center of mass = 8.08826997867 0.732826347568 -1.73827316549 TCL: Center of mass = 8.09147744459 0.732797946606 -1.73860034938 TCL: Center of mass = 8.09469758435 0.732780545606 -1.7389271207 TCL: Center of mass = 8.0979290968 0.732760022939 -1.73924362998 TCL: Center of mass = 8.10116976572 0.732749548008 -1.73957226547 TCL: Center of mass = 8.10440331605 0.732749499017 -1.73990637651 TCL: Center of mass = 8.10763755385 0.732754714706 -1.74023580798 TCL: Center of mass = 8.11087363341 0.732765846926 -1.74056144282 TCL: Center of mass = 8.11409984974 0.732781990658 -1.74088502421 TCL: Center of mass = 8.11733813097 0.732795765843 -1.74120826373 TCL: Center of mass = 8.12057483029 0.732813120536 -1.7415328188 TCL: Center of mass = 8.12380872034 0.732821297947 -1.74186399754 TCL: Center of mass = 8.12703143081 0.732838031254 -1.74220328095 TCL: Center of mass = 8.13026659869 0.732852175927 -1.74254619065 TCL: Center of mass = 8.13348986565 0.732867353221 -1.74290096728 TCL: Center of mass = 8.13671985451 0.732877595178 -1.74326626238 TCL: Center of mass = 8.13994609699 0.732896118342 -1.74363132054 TCL: Center of mass = 8.14316947348 0.732922115915 -1.74399931721 TCL: Center of mass = 8.14637942048 0.732961410975 -1.74436750145 TCL: Center of mass = 8.14958816198 0.732991329474 -1.7447362641 TCL: Center of mass = 8.15280233322 0.73302910394 -1.74510574323 TCL: Center of mass = 8.15601094085 0.733060532386 -1.74546306317 TCL: Center of mass = 8.15920811222 0.7330929616 -1.74581095936 TCL: Center of mass = 8.16240500688 0.733115720498 -1.74616279008 TCL: Center of mass = 8.16560581538 0.733145722187 -1.74650720881 TCL: Center of mass = 8.1688176638 0.733170772918 -1.74685262713 TCL: Center of mass = 8.17203189936 0.733200733577 -1.74719632882 TCL: Center of mass = 8.17525946795 0.733240319944 -1.74754371587 TCL: Center of mass = 8.17848660959 0.733263783795 -1.74789005171 TCL: Center of mass = 8.1817104928 0.733286211378 -1.74824905005 TCL: Center of mass = 8.18494981668 0.733312115714 -1.7486011109 TCL: Center of mass = 8.18817683193 0.733339207937 -1.74895060766 TCL: Center of mass = 8.19140738938 0.733362096847 -1.74930043624 TCL: Center of mass = 8.19464795543 0.733384143528 -1.74963878345 TCL: Center of mass = 8.1978894019 0.733406867967 -1.74997815878 TCL: Center of mass = 8.20113813033 0.733421552349 -1.75031995917 TCL: Center of mass = 8.20439192896 0.733446317497 -1.75065736198 TCL: Center of mass = 8.20764064685 0.733471207983 -1.7509951927 TCL: Center of mass = 8.21089081723 0.733497618495 -1.7513332051 TCL: Center of mass = 8.21413645995 0.733524720804 -1.75166800065 TCL: Center of mass = 8.21738149066 0.733552778868 -1.75200352218 TCL: Center of mass = 8.22062911658 0.733591000518 -1.7523268106 TCL: Center of mass = 8.2238680551 0.733622297872 -1.75265047031 TCL: Center of mass = 8.22710287794 0.733648310282 -1.75296902702 TCL: Center of mass = 8.23033722917 0.733680343682 -1.75329532149 TCL: Center of mass = 8.23357111821 0.733715710644 -1.75361471035 TCL: Center of mass = 8.23680376955 0.73375784719 -1.75394539114 TCL: Center of mass = 8.24004724679 0.733793881415 -1.75427120238 TCL: Center of mass = 8.24328031337 0.733831270834 -1.75458292221 TCL: Center of mass = 8.24651040181 0.733879622027 -1.75488226544 TCL: Center of mass = 8.24974116974 0.733932265433 -1.75518374019 TCL: Center of mass = 8.25296472751 0.733996283066 -1.75549205454 TCL: Center of mass = 8.25619507931 0.734050775676 -1.75580480579 TCL: Center of mass = 8.25942444234 0.734103931563 -1.75611648287 TCL: Center of mass = 8.26267055204 0.734143253686 -1.75643494012 TCL: Center of mass = 8.26591487197 0.734191850639 -1.75674592423 TCL: Center of mass = 8.26915742173 0.734239777293 -1.75704891213 TCL: Center of mass = 8.27239354395 0.73428939669 -1.75735022323 TCL: Center of mass = 8.27562844781 0.734340235781 -1.75765719471 TCL: Center of mass = 8.27886659312 0.734398513753 -1.75796853964 TCL: Center of mass = 8.2821107859 0.734452822862 -1.75827465588 TCL: Center of mass = 8.28536075496 0.734506839679 -1.75858005405 TCL: Center of mass = 8.28861550128 0.734550122839 -1.75888089916 TCL: Center of mass = 8.2918807412 0.734600472534 -1.75918116667 TCL: Center of mass = 8.29514698334 0.734648268191 -1.75948612672 TCL: Center of mass = 8.29841096189 0.734694066485 -1.75978734034 TCL: Center of mass = 8.30168457582 0.734728362315 -1.76010326441 TCL: Center of mass = 8.30494048557 0.734768884397 -1.76041577046 TCL: Center of mass = 8.3081932222 0.734822213683 -1.76072727595 TCL: Center of mass = 8.31143695701 0.734866915879 -1.76103735856 TCL: Center of mass = 8.31468846714 0.734919002923 -1.76134216864 TCL: Center of mass = 8.31794033239 0.734972244684 -1.76164315162 TCL: Center of mass = 8.32119955413 0.735013800739 -1.76195319955 TCL: Center of mass = 8.3244604915 0.735055000927 -1.76226808044 TCL: Center of mass = 8.3277188392 0.735086077918 -1.76258303972 TCL: Center of mass = 8.33097480188 0.735120316932 -1.76290428769 TCL: Center of mass = 8.33422932929 0.735166455936 -1.76322632672 TCL: Center of mass = 8.33749088922 0.735207968839 -1.76354600512 TCL: Center of mass = 8.34075518373 0.735255038452 -1.76386676953 TCL: Center of mass = 8.34400498734 0.735285327843 -1.76419421533 TCL: Center of mass = 8.34724875735 0.735312766739 -1.76451903014 TCL: Center of mass = 8.35047885054 0.735348922447 -1.76484781913 TIMING: 3800 CPU: 315.588, 0.0835773/step Wall: 386.287, 0.102507/step, 0.461282 hours remaining, 20333 kB of memory in use. ENERGY: 3800 418.1872 729.2292 414.8911 42.0646 -2801.5915 -225.7824 0.0000 0.0000 1135.2389 -287.7628 309.3843 -279.1397 -278.3873 314.8974 -33.1200 -83.8977 64000.0000 308.3707 304.8562 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 = 8.35371870897 0.735378974807 -1.76517181169 TCL: Center of mass = 8.35695861219 0.735419306132 -1.76549635592 TCL: Center of mass = 8.36020989039 0.735446643516 -1.76582515482 TCL: Center of mass = 8.3634705865 0.735482630461 -1.76615349513 TCL: Center of mass = 8.36672879304 0.735516131334 -1.76649061651 TCL: Center of mass = 8.36998306773 0.73554750254 -1.76682677661 TCL: Center of mass = 8.37324699079 0.735583199198 -1.76715651811 TCL: Center of mass = 8.37651586098 0.735623337577 -1.76748098923 TCL: Center of mass = 8.3797799688 0.735657864081 -1.76780957412 TCL: Center of mass = 8.38304088068 0.735704035926 -1.76815557217 TCL: Center of mass = 8.38631342924 0.735745857844 -1.76849944195 TCL: Center of mass = 8.38958577762 0.735785184399 -1.76884072995 TCL: Center of mass = 8.39285738312 0.735820302044 -1.76918842013 TCL: Center of mass = 8.39612387849 0.735843916915 -1.76952396565 TCL: Center of mass = 8.39939630303 0.735889278294 -1.76986916282 TCL: Center of mass = 8.4026622624 0.735935920543 -1.77022213507 TCL: Center of mass = 8.40592448803 0.735984027887 -1.77058212094 TCL: Center of mass = 8.4091843787 0.736032879711 -1.77093025114 TCL: Center of mass = 8.41243733447 0.736074186551 -1.77127124909 TCL: Center of mass = 8.41568993092 0.7361140908 -1.77160213117 TCL: Center of mass = 8.41893231307 0.736148153454 -1.7719329036 TCL: Center of mass = 8.42215959165 0.736193907796 -1.77225160313 TCL: Center of mass = 8.42538860141 0.736241606979 -1.77256764694 TCL: Center of mass = 8.42861584393 0.73629832119 -1.77289068827 TCL: Center of mass = 8.43183973633 0.736361948341 -1.77319956433 TCL: Center of mass = 8.43506808404 0.736430055279 -1.77350098029 TCL: Center of mass = 8.43829566929 0.736497143948 -1.77379468228 TCL: Center of mass = 8.44152359613 0.736565239644 -1.77407429801 TCL: Center of mass = 8.44475620901 0.736634171812 -1.77435275402 TCL: Center of mass = 8.44799934984 0.73672236708 -1.77462003435 TCL: Center of mass = 8.45123608248 0.736801464944 -1.77489496113 TCL: Center of mass = 8.45447642743 0.736881922787 -1.77516887828 TCL: Center of mass = 8.45771414667 0.736964854598 -1.77543714325 TCL: Center of mass = 8.4609580592 0.737038609742 -1.77569658338 TCL: Center of mass = 8.46420325253 0.737108058628 -1.77595828737 TCL: Center of mass = 8.4674591402 0.737177310335 -1.77622296168 TCL: Center of mass = 8.4707166266 0.7372421881 -1.77649865238 TCL: Center of mass = 8.4739742876 0.737298798022 -1.7767716569 TCL: Center of mass = 8.47722796684 0.737352819661 -1.77703098937 TCL: Center of mass = 8.48048128001 0.737403742332 -1.7772916955 TCL: Center of mass = 8.48373282928 0.737458053014 -1.77754886606 TCL: Center of mass = 8.48698018744 0.737527063901 -1.77782879303 TCL: Center of mass = 8.49023763314 0.737591604241 -1.77810968847 TCL: Center of mass = 8.4934968163 0.73765717207 -1.77838569376 TCL: Center of mass = 8.49676510754 0.737731163124 -1.77865181816 TCL: Center of mass = 8.50003437725 0.737798236478 -1.77891148835 TCL: Center of mass = 8.50329479876 0.73786347823 -1.77918596495 TCL: Center of mass = 8.50655252695 0.737928320172 -1.77946561535 TCL: Center of mass = 8.50981654662 0.737998081907 -1.77974597213 TCL: Center of mass = 8.51307864045 0.738058401928 -1.78002435246 TCL: Center of mass = 8.51635447234 0.738121399217 -1.78030162422 TCL: Center of mass = 8.51964646609 0.738188508661 -1.7805741268 TCL: Center of mass = 8.52294200518 0.738249580715 -1.78085041406 TCL: Center of mass = 8.52624026065 0.738308630748 -1.78112850977 TCL: Center of mass = 8.52954258958 0.738361475478 -1.7813979386 TCL: Center of mass = 8.53284674653 0.738412425057 -1.78166599365 TCL: Center of mass = 8.53615684259 0.738469916262 -1.78194223251 TCL: Center of mass = 8.53946865485 0.738523352021 -1.78221216939 TCL: Center of mass = 8.54277417814 0.738587130777 -1.78248013127 TCL: Center of mass = 8.5460854142 0.738654515648 -1.78275293127 TCL: Center of mass = 8.5494056719 0.738733666936 -1.78302794899 TCL: Center of mass = 8.5527364928 0.738812906653 -1.78330962254 TCL: Center of mass = 8.55606786552 0.73890495524 -1.7835863127 TCL: Center of mass = 8.55938772367 0.738989935439 -1.78385592913 TCL: Center of mass = 8.56271874538 0.739067514632 -1.7841260043 TCL: Center of mass = 8.56603787962 0.739145036612 -1.78438898832 TCL: Center of mass = 8.56935456902 0.739231440825 -1.78465001184 TCL: Center of mass = 8.57266605822 0.739313490965 -1.78491483614 TCL: Center of mass = 8.57598159392 0.739404277551 -1.78518745905 TCL: Center of mass = 8.57930043313 0.739511428846 -1.78545214811 TCL: Center of mass = 8.58261790346 0.739623172588 -1.7857170861 TCL: Center of mass = 8.5859316195 0.739727610562 -1.78598885417 TCL: Center of mass = 8.58923080595 0.739847091991 -1.78625881381 TCL: Center of mass = 8.59253629653 0.739973429307 -1.78652076446 TCL: Center of mass = 8.59585954716 0.740097097357 -1.7867907439 TCL: Center of mass = 8.59918263683 0.7402234654 -1.78704192733 TCL: Center of mass = 8.60249980562 0.740346889225 -1.78729214263 TCL: Center of mass = 8.60581473599 0.740478082583 -1.78754616123 TCL: Center of mass = 8.60913193065 0.740627742965 -1.78780182497 TCL: Center of mass = 8.61244830635 0.740770563364 -1.7880582149 TCL: Center of mass = 8.61578471345 0.740911041687 -1.78831579568 TCL: Center of mass = 8.61912265173 0.741050623624 -1.78857089084 TCL: Center of mass = 8.62245809467 0.741194414111 -1.78882401426 TCL: Center of mass = 8.62579602607 0.741334096638 -1.78907054015 TCL: Center of mass = 8.62913908429 0.741483743002 -1.7893304545 TCL: Center of mass = 8.63247480543 0.741628300881 -1.78959108848 TCL: Center of mass = 8.63581555748 0.741778493739 -1.78984937355 TCL: Center of mass = 8.63916653709 0.741935583045 -1.79011114991 TCL: Center of mass = 8.64251363331 0.742095252143 -1.79036133184 TCL: Center of mass = 8.64586676966 0.742263788411 -1.79061600476 TCL: Center of mass = 8.64922429613 0.742444393536 -1.7908724018 TCL: Center of mass = 8.65258466143 0.74262398129 -1.79112513284 TCL: Center of mass = 8.65593823125 0.742817678958 -1.79138466567 TCL: Center of mass = 8.65929315962 0.743015517282 -1.79164539689 TCL: Center of mass = 8.66264028885 0.743214828907 -1.79189819975 TCL: Center of mass = 8.66598748123 0.74342410157 -1.79215383069 TCL: Center of mass = 8.66933658085 0.743634710285 -1.79240993633 TCL: Center of mass = 8.67269005942 0.743844042956 -1.79267371022 TCL: Center of mass = 8.67604137352 0.744058962087 -1.79293557495 TCL: Center of mass = 8.67939387133 0.744272867021 -1.79319841548 TIMING: 3900 CPU: 323.967, 0.0837873/step Wall: 396.569, 0.102827/step, 0.459866 hours remaining, 20367 kB of memory in use. ENERGY: 3900 407.0419 678.3001 432.8547 52.3248 -2794.5157 -221.1465 0.0000 0.0000 1158.1366 -287.0041 315.6246 -278.0150 -278.8516 315.8138 509.4404 421.6605 64000.0000 92.7972 98.8804 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 = 8.68274223062 0.744481985934 -1.79346213756 TCL: Center of mass = 8.68608468319 0.744679222044 -1.79372034861 TCL: Center of mass = 8.68942132984 0.744872369805 -1.79397506637 TCL: Center of mass = 8.69275669375 0.745057550909 -1.79421792156 TCL: Center of mass = 8.69609835847 0.745246765312 -1.79446304971 TCL: Center of mass = 8.69943871015 0.745436743103 -1.79470015484 TCL: Center of mass = 8.70278262195 0.745636641086 -1.79492337611 TCL: Center of mass = 8.70613784681 0.745846912639 -1.79514639964 TCL: Center of mass = 8.7094872505 0.746065114637 -1.79536555308 TCL: Center of mass = 8.7128378959 0.746286815158 -1.79557555557 TCL: Center of mass = 8.71618683436 0.746503622824 -1.79578737047 TCL: Center of mass = 8.71953179611 0.746711231372 -1.79600721373 TCL: Center of mass = 8.7228737387 0.746917669621 -1.79623477491 TCL: Center of mass = 8.72621339285 0.747123703343 -1.79646939412 TCL: Center of mass = 8.72953607297 0.747329574144 -1.79671488678 TCL: Center of mass = 8.73286150967 0.747531759068 -1.79695058377 TCL: Center of mass = 8.7361717198 0.747730897744 -1.79719663316 TCL: Center of mass = 8.73948534952 0.747938263357 -1.79743904841 TCL: Center of mass = 8.74279857984 0.748140033733 -1.79768751826 TCL: Center of mass = 8.74610544178 0.748343072147 -1.79794709466 TCL: Center of mass = 8.74940626152 0.748541420473 -1.79821337634 TCL: Center of mass = 8.75271563046 0.748734227052 -1.79848037018 TCL: Center of mass = 8.7560184809 0.748933217312 -1.79875476019 TCL: Center of mass = 8.75933055941 0.749134392227 -1.7990268561 TCL: Center of mass = 8.76264928602 0.749338449322 -1.79930349024 TCL: Center of mass = 8.7659845733 0.749536026826 -1.79958265888 TCL: Center of mass = 8.76932654828 0.749729213488 -1.79987525608 TCL: Center of mass = 8.77266252015 0.749919680222 -1.80016664437 TCL: Center of mass = 8.77598718327 0.750121953313 -1.8004589814 TCL: Center of mass = 8.77931903094 0.750311605205 -1.80076449688 TCL: Center of mass = 8.78265571171 0.750504116544 -1.80107934485 TCL: Center of mass = 8.78599976015 0.750696435342 -1.80138318418 TCL: Center of mass = 8.78934612763 0.750889609571 -1.80169130345 TCL: Center of mass = 8.79268415653 0.751091855961 -1.80200061027 TCL: Center of mass = 8.79601302918 0.751288511908 -1.80231673114 TCL: Center of mass = 8.79934333652 0.751494695751 -1.80262751763 TCL: Center of mass = 8.80267424731 0.751701882546 -1.80294450574 TCL: Center of mass = 8.80602015989 0.751910805345 -1.80326806445 TCL: Center of mass = 8.80936501378 0.752121817317 -1.80358550413 TCL: Center of mass = 8.81271904319 0.752316065008 -1.80391108842 TCL: Center of mass = 8.81606790531 0.752505184636 -1.80423042733 TCL: Center of mass = 8.81941688356 0.752701622951 -1.80456050005 TCL: Center of mass = 8.82277008035 0.752900672079 -1.8048969613 TCL: Center of mass = 8.82612076908 0.753105178714 -1.80524856016 TCL: Center of mass = 8.82947252098 0.753302177391 -1.80561296298 TCL: Center of mass = 8.8328251522 0.753495159597 -1.80598971136 TCL: Center of mass = 8.83618268886 0.753690539653 -1.80637392823 TCL: Center of mass = 8.83955381012 0.753882600809 -1.80676733888 TCL: Center of mass = 8.8429282679 0.754084209758 -1.80715735461 TCL: Center of mass = 8.84629369719 0.754289957883 -1.80754364651 TCL: Center of mass = 8.84966866805 0.754496223785 -1.80792584519 TCL: Center of mass = 8.8530426567 0.754706873129 -1.80830287641 TCL: Center of mass = 8.8564336539 0.754918942859 -1.80867849018 TCL: Center of mass = 8.85983686654 0.755140602445 -1.80905621504 TCL: Center of mass = 8.86324498631 0.755354903339 -1.80942656212 TCL: Center of mass = 8.86664526216 0.755572734557 -1.80978727459 TCL: Center of mass = 8.87005781841 0.755789467469 -1.81015651342 TCL: Center of mass = 8.87347577095 0.755992506652 -1.81053807755 TCL: Center of mass = 8.87689147104 0.756197288656 -1.8109230374 TCL: Center of mass = 8.88032127462 0.756408205108 -1.81130268378 TCL: Center of mass = 8.88374228537 0.756632494378 -1.81168381641 TCL: Center of mass = 8.88714896764 0.756864529434 -1.81206507496 TCL: Center of mass = 8.89054563244 0.757110621942 -1.81243633554 TCL: Center of mass = 8.89393906968 0.757349123513 -1.81280114613 TCL: Center of mass = 8.89732001875 0.757587536366 -1.81315680354 TCL: Center of mass = 8.90070307476 0.757816740079 -1.81350706966 TCL: Center of mass = 8.90407741054 0.758039370946 -1.8138658911 TCL: Center of mass = 8.90744269052 0.758274330662 -1.81421216384 TCL: Center of mass = 8.91081999007 0.758512053673 -1.81455318721 TCL: Center of mass = 8.91419628682 0.758747727286 -1.81489076381 TCL: Center of mass = 8.91755944027 0.758978660686 -1.81522620787 TCL: Center of mass = 8.9209147354 0.759208729676 -1.81557103174 TCL: Center of mass = 8.92427382367 0.759431098272 -1.81592600052 TCL: Center of mass = 8.9276309251 0.759662040421 -1.81627949192 TCL: Center of mass = 8.93098425543 0.759897336805 -1.81664386694 TCL: Center of mass = 8.93434367771 0.76013811013 -1.81700370076 TCL: Center of mass = 8.93769607256 0.760381805142 -1.81736961195 TCL: Center of mass = 8.94104453075 0.760635509345 -1.8177295613 TCL: Center of mass = 8.94439729793 0.760878537834 -1.81809613892 TCL: Center of mass = 8.94774926672 0.761116803391 -1.81846814443 TCL: Center of mass = 8.95110407418 0.76135779559 -1.81883027593 TCL: Center of mass = 8.9544712222 0.761603537179 -1.81918830369 TCL: Center of mass = 8.95784247231 0.7618415265 -1.81955043312 TCL: Center of mass = 8.9612151769 0.762080193727 -1.81992436711 TCL: Center of mass = 8.9645941595 0.762314841771 -1.82029583721 TCL: Center of mass = 8.96796477967 0.762547571516 -1.82067683979 TCL: Center of mass = 8.97134772059 0.762771817348 -1.82105571391 TCL: Center of mass = 8.97473393736 0.762991858999 -1.82144030858 TCL: Center of mass = 8.97813147103 0.763201302413 -1.82180589966 TCL: Center of mass = 8.98151771584 0.763411171061 -1.82216540103 TCL: Center of mass = 8.98489385409 0.76362017565 -1.82251939467 TCL: Center of mass = 8.98827288392 0.763831233495 -1.82287100942 TCL: Center of mass = 8.99165526555 0.764046608875 -1.82322211418 TCL: Center of mass = 8.99502768909 0.764256482026 -1.82357882351 TCL: Center of mass = 8.99840872319 0.764473366349 -1.8239304336 TCL: Center of mass = 9.00177515142 0.764698197344 -1.82428818862 TCL: Center of mass = 9.00515101312 0.764930598736 -1.82463447078 TCL: Center of mass = 9.00853419495 0.765159557533 -1.82498469736 TCL: Center of mass = 9.01191638725 0.765398590206 -1.82532916182 TCL: Center of mass = 9.01530127901 0.765627828495 -1.8256634548 TIMING: 4000 CPU: 332.305, 0.0833873/step Wall: 406.796, 0.102272/step, 0.454542 hours remaining, 20382 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 390.8771 657.8681 417.1101 46.2690 -2773.9731 -217.0518 0.0000 0.0000 1182.7317 -296.1690 322.3275 -286.9443 -289.0738 314.9504 541.3118 457.4441 64000.0000 101.9755 99.0702 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 = 9.0186892335 0.765852221351 -1.82598959591 TCL: Center of mass = 9.02206999459 0.766071458107 -1.82631908947 TCL: Center of mass = 9.0254388151 0.766298188567 -1.82665098702 TCL: Center of mass = 9.02880557035 0.766534544934 -1.82698554467 TCL: Center of mass = 9.03217214774 0.766768322278 -1.82732366419 TCL: Center of mass = 9.03554637505 0.766992407849 -1.82766737322 TCL: Center of mass = 9.03891359577 0.767210320791 -1.82801592801 TCL: Center of mass = 9.0422779516 0.767426147332 -1.82836169518 TCL: Center of mass = 9.04565256593 0.767641188717 -1.82868803583 TCL: Center of mass = 9.04903526268 0.767854933594 -1.82902340035 TCL: Center of mass = 9.05240547805 0.7680686889 -1.82936394573 TCL: Center of mass = 9.05575958384 0.768277007489 -1.82970484769 TCL: Center of mass = 9.05911035884 0.768476489779 -1.83005081669 TCL: Center of mass = 9.06245317152 0.768669531936 -1.83040204062 TCL: Center of mass = 9.06579082421 0.768862498115 -1.83075745488 TCL: Center of mass = 9.06911760559 0.769056352018 -1.83110872613 TCL: Center of mass = 9.07245002124 0.769255408175 -1.83146486706 TCL: Center of mass = 9.07577808339 0.769459147592 -1.83181563573 TCL: Center of mass = 9.07909556711 0.769661659641 -1.83217552244 TCL: Center of mass = 9.08239916519 0.769861645827 -1.8325305146 TCL: Center of mass = 9.08571307318 0.770054404868 -1.83287830823 TCL: Center of mass = 9.08903196609 0.77024636064 -1.83323212516 TCL: Center of mass = 9.09237313177 0.770432356559 -1.83359703232 TCL: Center of mass = 9.09571900971 0.770617393152 -1.833955179 TCL: Center of mass = 9.09907648847 0.77080370954 -1.83431147393 TCL: Center of mass = 9.10243642548 0.770984989204 -1.83465710952 TCL: Center of mass = 9.10579616325 0.771163251498 -1.83498598033 TCL: Center of mass = 9.10914883592 0.771336526563 -1.8353105581 TCL: Center of mass = 9.11249638803 0.771519254534 -1.83564177871 TCL: Center of mass = 9.11583695371 0.77170161037 -1.83597877519 TCL: Center of mass = 9.11918486159 0.771876963185 -1.83632622549 TCL: Center of mass = 9.12252442385 0.772059167784 -1.83666660209 TCL: Center of mass = 9.12586609274 0.772240957755 -1.83699532674 TCL: Center of mass = 9.12920244993 0.772428812193 -1.83732599912 TCL: Center of mass = 9.13254909207 0.772617293925 -1.83764437012 TCL: Center of mass = 9.13591178501 0.772798435173 -1.83797089056 TCL: Center of mass = 9.13927762293 0.772972446247 -1.83829754289 TCL: Center of mass = 9.14264634246 0.773138904704 -1.83863133611 TCL: Center of mass = 9.14601456297 0.773304105495 -1.83895966553 TCL: Center of mass = 9.14937517299 0.773460253312 -1.83928964088 TCL: Center of mass = 9.1527340313 0.773623018267 -1.83961596175 TCL: Center of mass = 9.15608661243 0.773783735563 -1.83994156623 TCL: Center of mass = 9.15944856678 0.773947289753 -1.84026952465 TCL: Center of mass = 9.16281564043 0.774102274714 -1.84059991426 TCL: Center of mass = 9.16618791383 0.774259492252 -1.84092454093 TCL: Center of mass = 9.16954866226 0.774412100808 -1.8412582243 TCL: Center of mass = 9.17290981324 0.774564076809 -1.84158345022 TCL: Center of mass = 9.1762722238 0.774722575217 -1.84190297243 TCL: Center of mass = 9.17964333676 0.774879734331 -1.84222534184 TCL: Center of mass = 9.1830263906 0.775039146605 -1.84253057678 TCL: Center of mass = 9.18641408917 0.775188062344 -1.84284010165 TCL: Center of mass = 9.18980040677 0.775345563758 -1.84314060845 TCL: Center of mass = 9.19317346547 0.775497143449 -1.84343454801 TCL: Center of mass = 9.19654817502 0.775639395377 -1.84372194158 TCL: Center of mass = 9.19992569899 0.775764871164 -1.84400442115 TCL: Center of mass = 9.20329220404 0.775892379174 -1.84429014688 TCL: Center of mass = 9.20666527601 0.776015850529 -1.84457374825 TCL: Center of mass = 9.21003524003 0.776134333351 -1.8448582643 TCL: Center of mass = 9.21340938276 0.776257295128 -1.84514286078 TCL: Center of mass = 9.21678646547 0.776381725127 -1.84542655538 TCL: Center of mass = 9.22016769443 0.776510103906 -1.84570603666 TCL: Center of mass = 9.22353549248 0.776630495558 -1.84599373513 TCL: Center of mass = 9.22689247246 0.776748027067 -1.84629358552 TCL: Center of mass = 9.23024988961 0.776859575818 -1.84658946134 TCL: Center of mass = 9.23360882214 0.776955513253 -1.84687783146 TCL: Center of mass = 9.23698012714 0.77704303769 -1.84715362987 TCL: Center of mass = 9.24035301122 0.777130432081 -1.84742117719 TCL: Center of mass = 9.24372709491 0.777227401098 -1.84768522299 TCL: Center of mass = 9.24709822809 0.777319677369 -1.84794243033 TCL: Center of mass = 9.25046696735 0.777415024672 -1.84820435196 TCL: Center of mass = 9.25383370938 0.777507949753 -1.84844998366 TCL: Center of mass = 9.25720845973 0.777602871764 -1.84868903315 TCL: Center of mass = 9.26058593772 0.777712881141 -1.84892425223 TCL: Center of mass = 9.26396220277 0.777820181833 -1.84916210325 TCL: Center of mass = 9.26733869564 0.777929983337 -1.84938628757 TCL: Center of mass = 9.27072063549 0.778036503562 -1.8496096595 TCL: Center of mass = 9.27410499566 0.778124247872 -1.84983168683 TCL: Center of mass = 9.27749406952 0.778214724658 -1.85005747233 TCL: Center of mass = 9.28088075346 0.778309792086 -1.85027869856 TCL: Center of mass = 9.28426755392 0.778409521805 -1.85050425713 TCL: Center of mass = 9.28766154308 0.77849856472 -1.85073117563 TCL: Center of mass = 9.29105270304 0.778592390377 -1.85095828874 TCL: Center of mass = 9.29444239319 0.778676092542 -1.85119044834 TCL: Center of mass = 9.29783003703 0.77876943998 -1.85142588901 TCL: Center of mass = 9.30121414823 0.778867078543 -1.85167299979 TCL: Center of mass = 9.30460952519 0.77896993288 -1.85191385041 TCL: Center of mass = 9.3079993917 0.779062896086 -1.85215189325 TCL: Center of mass = 9.31138640878 0.779158172589 -1.85239632736 TCL: Center of mass = 9.31477814072 0.779246328716 -1.85265105783 TCL: Center of mass = 9.31817282119 0.77934340642 -1.85289722695 TCL: Center of mass = 9.32157075106 0.779442180333 -1.85313442905 TCL: Center of mass = 9.32495812743 0.779537024599 -1.85336194342 TCL: Center of mass = 9.32834897877 0.77962121671 -1.85359127378 TCL: Center of mass = 9.33173605222 0.779708224638 -1.85382066638 TCL: Center of mass = 9.33511623496 0.779804657107 -1.8540547296 TCL: Center of mass = 9.33848468431 0.779901204004 -1.85429240963 TCL: Center of mass = 9.34186003749 0.78001536848 -1.85452150047 TCL: Center of mass = 9.34523181832 0.780139744648 -1.85475004007 TCL: Center of mass = 9.3486019033 0.780256553795 -1.85497992068 TCL: Center of mass = 9.35196746301 0.780387612603 -1.85521737599 TIMING: 4100 CPU: 340.722, 0.0841672/step Wall: 417.111, 0.103142/step, 0.455543 hours remaining, 20384 kB of memory in use. ENERGY: 4100 405.9244 688.1755 411.3468 44.6045 -2753.7423 -247.3247 0.0000 0.0000 1149.5849 -301.4308 313.2940 -293.3993 -290.5929 313.8667 368.4970 244.0864 64000.0000 149.1719 147.1209 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 = 9.35533368183 0.78051327916 -1.85544447831 TCL: Center of mass = 9.35871271051 0.780644221697 -1.85567508096 TCL: Center of mass = 9.36209862085 0.780779875252 -1.85590787081 TCL: Center of mass = 9.36548068042 0.780912131578 -1.85613413156 TCL: Center of mass = 9.36886521279 0.781039314773 -1.85635691647 TCL: Center of mass = 9.37223802034 0.781175738495 -1.85659032112 TCL: Center of mass = 9.37560926116 0.781309471445 -1.85682519973 TCL: Center of mass = 9.37898267142 0.781452789193 -1.85705592817 TCL: Center of mass = 9.38234846601 0.781601343398 -1.85727484561 TCL: Center of mass = 9.38570921806 0.781751365255 -1.85749109418 TCL: Center of mass = 9.38908108502 0.781904950555 -1.85771380997 TCL: Center of mass = 9.39246413904 0.782073081335 -1.85794240324 TCL: Center of mass = 9.39586504778 0.782223814811 -1.85817587465 TCL: Center of mass = 9.39927063478 0.782359491151 -1.85840622913 TCL: Center of mass = 9.40267608736 0.782507639845 -1.85863077536 TCL: Center of mass = 9.4060774881 0.782650366025 -1.85885693408 TCL: Center of mass = 9.40948244241 0.782791039473 -1.85908421647 TCL: Center of mass = 9.41287716366 0.782938097463 -1.85930758914 TCL: Center of mass = 9.41626492077 0.783079133663 -1.85954666685 TCL: Center of mass = 9.41965411153 0.783210128808 -1.85978242974 TCL: Center of mass = 9.42304737237 0.783340969712 -1.86002009508 TCL: Center of mass = 9.42643769803 0.783472204081 -1.86026041922 TCL: Center of mass = 9.42982975883 0.783602475213 -1.86050191834 TCL: Center of mass = 9.43321900529 0.783741082803 -1.86075677483 TCL: Center of mass = 9.43660170367 0.783875123178 -1.86101051586 TCL: Center of mass = 9.43998048785 0.784012569447 -1.86126876333 TCL: Center of mass = 9.44336221188 0.784151279196 -1.86152979242 TCL: Center of mass = 9.44676150871 0.784287901206 -1.86179976122 TCL: Center of mass = 9.4501586517 0.784419195942 -1.86206703167 TCL: Center of mass = 9.45356045395 0.784553788153 -1.86232245398 TCL: Center of mass = 9.45697201599 0.784688658907 -1.86257447174 TCL: Center of mass = 9.46039010714 0.784820751804 -1.86282449519 TCL: Center of mass = 9.46382034914 0.784956223288 -1.86307779647 TCL: Center of mass = 9.46724779795 0.785093108808 -1.86332739661 TCL: Center of mass = 9.47068269052 0.785224231738 -1.86356648027 TCL: Center of mass = 9.47411171493 0.785355524698 -1.86381886245 TCL: Center of mass = 9.47753318914 0.785473678519 -1.86405239532 TCL: Center of mass = 9.48093946561 0.785598944268 -1.86428670552 TCL: Center of mass = 9.48434996392 0.785728600201 -1.86452351377 TCL: Center of mass = 9.48777418487 0.785851441173 -1.86475662793 TCL: Center of mass = 9.49120388008 0.785973710226 -1.86500501855 TCL: Center of mass = 9.49462521229 0.786093927342 -1.86524600779 TCL: Center of mass = 9.49804661442 0.786218081346 -1.86548432458 TCL: Center of mass = 9.50147250255 0.78632797973 -1.86573636846 TCL: Center of mass = 9.50489542879 0.78644996838 -1.86597320064 TCL: Center of mass = 9.50831815332 0.786571474513 -1.86619692895 TCL: Center of mass = 9.51173822078 0.786699135715 -1.86641546687 TCL: Center of mass = 9.51515067498 0.786840636848 -1.86663307292 TCL: Center of mass = 9.51855285669 0.786972820269 -1.86686534408 TCL: Center of mass = 9.52195161964 0.787094382897 -1.8671037368 TCL: Center of mass = 9.52535582995 0.787217050365 -1.86734637695 TCL: Center of mass = 9.52876659115 0.787344682702 -1.8675965962 TCL: Center of mass = 9.5321755314 0.787474093232 -1.86782878523 TCL: Center of mass = 9.53557283985 0.787601968934 -1.86806738197 TCL: Center of mass = 9.53897154609 0.787734338935 -1.868305471 TCL: Center of mass = 9.54235337554 0.787866052743 -1.86854282511 TCL: Center of mass = 9.54573113742 0.788014165004 -1.86877436313 TCL: Center of mass = 9.54911608046 0.78816203787 -1.86901511301 TCL: Center of mass = 9.55249710348 0.788308642182 -1.86926468984 TCL: Center of mass = 9.55586694348 0.788462852388 -1.86952266409 TCL: Center of mass = 9.55923977021 0.78862306195 -1.8697781937 TCL: Center of mass = 9.56260358293 0.788780648026 -1.87001990762 TCL: Center of mass = 9.56597511651 0.78892922569 -1.87028489099 TCL: Center of mass = 9.56933809135 0.789070251935 -1.87055079398 TCL: Center of mass = 9.5726960491 0.789206508246 -1.87081980437 TCL: Center of mass = 9.57604932803 0.789357575087 -1.87107596688 TCL: Center of mass = 9.57939505731 0.789513723005 -1.87131988972 TCL: Center of mass = 9.58274276181 0.789666550252 -1.8715652026 TCL: Center of mass = 9.58609324218 0.789821386952 -1.87183140995 TCL: Center of mass = 9.58944015566 0.789983523398 -1.87210419755 TCL: Center of mass = 9.59279696638 0.790142128629 -1.87238108848 TCL: Center of mass = 9.59615501882 0.790307140566 -1.87264938621 TCL: Center of mass = 9.59951758109 0.790459081511 -1.87292419946 TCL: Center of mass = 9.60287564007 0.790614331726 -1.87318599052 TCL: Center of mass = 9.60623751491 0.79076760136 -1.87344389745 TCL: Center of mass = 9.60957982247 0.790922123669 -1.87369568491 TCL: Center of mass = 9.61291877525 0.791065425847 -1.87394057973 TCL: Center of mass = 9.61624897979 0.7912086972 -1.87418430434 TCL: Center of mass = 9.619583456 0.791351103505 -1.87443033922 TCL: Center of mass = 9.6229118176 0.791493080027 -1.87469355784 TCL: Center of mass = 9.62623723797 0.791627639393 -1.87496125579 TCL: Center of mass = 9.62955629901 0.79175972604 -1.87522041391 TCL: Center of mass = 9.63287094407 0.791888036715 -1.87549065 TCL: Center of mass = 9.63618054324 0.792015768843 -1.87576313695 TCL: Center of mass = 9.63950031276 0.792131948692 -1.87603400458 TCL: Center of mass = 9.64283797862 0.792246315123 -1.87630440817 TCL: Center of mass = 9.64617846771 0.792364669109 -1.87657815193 TCL: Center of mass = 9.64951289121 0.792481276927 -1.87684264251 TCL: Center of mass = 9.65284314854 0.792604230032 -1.8771020078 TCL: Center of mass = 9.65616822475 0.79273659568 -1.8773670891 TCL: Center of mass = 9.65949696767 0.792870870938 -1.8776438726 TCL: Center of mass = 9.66282464673 0.793010171077 -1.87791379732 TCL: Center of mass = 9.66615452988 0.793139063123 -1.87819566843 TCL: Center of mass = 9.66947745854 0.793257588863 -1.87849146091 TCL: Center of mass = 9.67280015021 0.793377040511 -1.87878829199 TCL: Center of mass = 9.67612218821 0.793496907815 -1.87908151044 TCL: Center of mass = 9.67943841476 0.793613141851 -1.87938340193 TCL: Center of mass = 9.68274913619 0.793728796464 -1.87969055211 TCL: Center of mass = 9.68606368616 0.793841116123 -1.87998379208 TCL: Center of mass = 9.68937804964 0.7939465064 -1.88028314715 TIMING: 4200 CPU: 349.088, 0.0836573/step Wall: 427.372, 0.102618/step, 0.450378 hours remaining, 20420 kB of memory in use. ENERGY: 4200 390.8848 674.6491 430.0923 48.4372 -2780.6140 -202.6630 0.0000 0.0000 1133.0827 -306.1310 308.7967 -297.2727 -297.4083 313.9594 728.8072 675.8934 64000.0000 201.4313 200.5805 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 = 9.69270156749 0.794070035978 -1.88058395174 TCL: Center of mass = 9.69603001838 0.794191085644 -1.88090167301 TCL: Center of mass = 9.69934969719 0.79430917117 -1.88121776264 TCL: Center of mass = 9.70266952475 0.794428857985 -1.88153461913 TCL: Center of mass = 9.70598359789 0.794560097636 -1.88185060992 TCL: Center of mass = 9.70930696491 0.794679951337 -1.88217270382 TCL: Center of mass = 9.71261715429 0.79479436696 -1.88248965533 TCL: Center of mass = 9.71593007468 0.794911927263 -1.88280256575 TCL: Center of mass = 9.71923894235 0.795030701125 -1.88311272514 TCL: Center of mass = 9.72254764175 0.795152053111 -1.88342567653 TCL: Center of mass = 9.72586960162 0.795276391921 -1.88373110086 TCL: Center of mass = 9.72919094696 0.795396510576 -1.88404131435 TCL: Center of mass = 9.73248998089 0.795514221933 -1.88434069712 TCL: Center of mass = 9.73577604148 0.795633349191 -1.88462919196 TCL: Center of mass = 9.73905863514 0.795752357079 -1.88489971454 TCL: Center of mass = 9.74234584747 0.795872949444 -1.88516680429 TCL: Center of mass = 9.74562974971 0.795986895598 -1.88544551835 TCL: Center of mass = 9.74890049431 0.796102471634 -1.88572692092 TCL: Center of mass = 9.75217682299 0.796214886391 -1.88601699311 TCL: Center of mass = 9.75546017686 0.796328898367 -1.88631465666 TCL: Center of mass = 9.75873748534 0.796445659893 -1.88660536334 TCL: Center of mass = 9.76203191499 0.796564516596 -1.8869013158 TCL: Center of mass = 9.76530012062 0.796685709618 -1.88718796433 TCL: Center of mass = 9.76857209531 0.796804518144 -1.88747718248 TCL: Center of mass = 9.77184880463 0.796924247555 -1.8877719534 TCL: Center of mass = 9.77512650125 0.797043176315 -1.88805368151 TCL: Center of mass = 9.77840978313 0.797162155287 -1.88833696008 TCL: Center of mass = 9.7816923136 0.797285782559 -1.88862270538 TCL: Center of mass = 9.78497134299 0.797409572578 -1.88891465593 TCL: Center of mass = 9.78825039319 0.79751647308 -1.88921418834 TCL: Center of mass = 9.79153327819 0.797614083121 -1.88951750696 TCL: Center of mass = 9.79482105009 0.797708800179 -1.88983663149 TCL: Center of mass = 9.79809728758 0.79780883473 -1.89017262701 TCL: Center of mass = 9.80137832073 0.797911826861 -1.89049162773 TCL: Center of mass = 9.80464789671 0.798030722028 -1.89080668208 TCL: Center of mass = 9.80789444946 0.798151790946 -1.89110571055 TCL: Center of mass = 9.81114663528 0.798270148687 -1.89140101103 TCL: Center of mass = 9.81440454204 0.798392281236 -1.89169830587 TCL: Center of mass = 9.81766541962 0.798519285021 -1.89199317256 TCL: Center of mass = 9.82091755692 0.798645370826 -1.892294022 TCL: Center of mass = 9.82416833759 0.798782221465 -1.89259010578 TCL: Center of mass = 9.82742722629 0.798921996002 -1.89288630945 TCL: Center of mass = 9.8306718724 0.799058292996 -1.89317731266 TCL: Center of mass = 9.83390942905 0.799193117045 -1.89346656979 TCL: Center of mass = 9.83716045381 0.799332499625 -1.89375235831 TCL: Center of mass = 9.84041030014 0.799468730283 -1.89405024216 TCL: Center of mass = 9.84367485131 0.799594554045 -1.89435847682 TCL: Center of mass = 9.84694298809 0.799716450995 -1.89468135945 TCL: Center of mass = 9.85021114405 0.799853040259 -1.89499600028 TCL: Center of mass = 9.85347716679 0.799991004429 -1.89530924844 TCL: Center of mass = 9.85673682913 0.800131389039 -1.89562607143 TCL: Center of mass = 9.85999731473 0.800276434134 -1.89593998176 TCL: Center of mass = 9.86327047244 0.800421960334 -1.89624482923 TCL: Center of mass = 9.86653548105 0.800560818372 -1.89655784018 TCL: Center of mass = 9.86979712547 0.800688381321 -1.89687474249 TCL: Center of mass = 9.87305903554 0.800814430484 -1.89718131578 TCL: Center of mass = 9.87633310743 0.800932146265 -1.89748560277 TCL: Center of mass = 9.87960547229 0.801038707466 -1.89779171981 TCL: Center of mass = 9.88287493711 0.801132752971 -1.89810565599 TCL: Center of mass = 9.88613716961 0.801227986074 -1.8984230248 TCL: Center of mass = 9.88939729025 0.80130842527 -1.89873346889 TCL: Center of mass = 9.89267468136 0.80138987927 -1.89904429411 TCL: Center of mass = 9.89594304176 0.801485466775 -1.89935081696 TCL: Center of mass = 9.89921729551 0.801588442903 -1.89965311686 TCL: Center of mass = 9.90249622841 0.801696676955 -1.8999627867 TCL: Center of mass = 9.90576382044 0.801804685616 -1.90027157905 TCL: Center of mass = 9.90903542524 0.801913849021 -1.90058393474 TCL: Center of mass = 9.91230073386 0.802019120747 -1.90088875036 TCL: Center of mass = 9.91555938953 0.802122649186 -1.90119517247 TCL: Center of mass = 9.91880203701 0.802226092237 -1.90150096927 TCL: Center of mass = 9.92204370085 0.802330451892 -1.90179754551 TCL: Center of mass = 9.92528673922 0.802442775902 -1.90210374416 TCL: Center of mass = 9.92853188918 0.802558586842 -1.90240666816 TCL: Center of mass = 9.9317794898 0.802675573033 -1.9027093535 TCL: Center of mass = 9.93502519748 0.802780275058 -1.90301634105 TCL: Center of mass = 9.93827047091 0.802897611416 -1.9033274428 TCL: Center of mass = 9.94151386075 0.80301060196 -1.90362945162 TCL: Center of mass = 9.94475957382 0.803137354586 -1.90393280111 TCL: Center of mass = 9.94800595512 0.803250938104 -1.90423320623 TCL: Center of mass = 9.95125033392 0.803374172529 -1.9045279746 TCL: Center of mass = 9.95450044456 0.803499090319 -1.90483753899 TCL: Center of mass = 9.95775034164 0.803634750507 -1.90514850605 TCL: Center of mass = 9.9610082016 0.803760823398 -1.90546408632 TCL: Center of mass = 9.96426982373 0.803890227164 -1.90577116042 TCL: Center of mass = 9.96752411238 0.804023944967 -1.90606746928 TCL: Center of mass = 9.9707682232 0.804156968373 -1.9063501824 TCL: Center of mass = 9.97401895868 0.804276171497 -1.90663832573 TCL: Center of mass = 9.97726292785 0.804405025216 -1.90694475886 TCL: Center of mass = 9.98050551214 0.804541331869 -1.90725776989 TCL: Center of mass = 9.98375395909 0.804669967557 -1.9075768312 TCL: Center of mass = 9.98699261371 0.804795162647 -1.90789806263 TCL: Center of mass = 9.9902189503 0.804916120225 -1.90821501183 TCL: Center of mass = 9.99343746753 0.805031210927 -1.90853407256 TCL: Center of mass = 9.99664625097 0.805138235681 -1.90885523214 TCL: Center of mass = 9.99986233102 0.805238843967 -1.90917661551 TCL: Center of mass = 10.0030650438 0.805335601218 -1.90948845842 TCL: Center of mass = 10.0062601285 0.805424138287 -1.90980416814 TCL: Center of mass = 10.0094466538 0.805524330473 -1.91010408029 TCL: Center of mass = 10.0126364154 0.805626903649 -1.91040715764 TCL: Center of mass = 10.0158230138 0.805728039041 -1.91070952815 TIMING: 4300 CPU: 357.513, 0.0842472/step Wall: 437.711, 0.103385/step, 0.450874 hours remaining, 20431 kB of memory in use. ENERGY: 4300 417.3597 693.9708 413.3648 45.1777 -2795.2040 -208.5015 0.0000 0.0000 1114.9138 -318.9188 303.8452 -309.8395 -310.8614 310.7232 770.0789 365.7862 64000.0000 489.0660 492.1510 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 = 10.0190063632 0.805832981256 -1.91100973773 TCL: Center of mass = 10.0221860793 0.805938332405 -1.91130583925 TCL: Center of mass = 10.025356767 0.806041608634 -1.91160134979 TCL: Center of mass = 10.0285293469 0.806145511382 -1.91190435975 TCL: Center of mass = 10.0316972721 0.806237748173 -1.91220732416 TCL: Center of mass = 10.0348652176 0.806318967874 -1.91251586 TCL: Center of mass = 10.0380201108 0.806408203664 -1.91281592977 TCL: Center of mass = 10.0411684825 0.806496517984 -1.91311777952 TCL: Center of mass = 10.0443141786 0.806589039732 -1.91342260235 TCL: Center of mass = 10.0474606313 0.806686534944 -1.91372373189 TCL: Center of mass = 10.0506148126 0.806779521566 -1.91401873649 TCL: Center of mass = 10.0537649102 0.806876519863 -1.91430980018 TCL: Center of mass = 10.0569147569 0.806982367755 -1.91460242445 TCL: Center of mass = 10.0600599437 0.807089427835 -1.91489085067 TCL: Center of mass = 10.0632098169 0.807194090577 -1.91518093619 TCL: Center of mass = 10.0663608799 0.807288959719 -1.91546959741 TCL: Center of mass = 10.0695114561 0.807381090241 -1.91576823527 TCL: Center of mass = 10.0726608985 0.807481827471 -1.91606948224 TCL: Center of mass = 10.0758087593 0.807588018951 -1.91637264843 TCL: Center of mass = 10.0789584385 0.807699932102 -1.91666598292 TCL: Center of mass = 10.0821031272 0.807823052863 -1.916969612 TCL: Center of mass = 10.0852527875 0.807945448792 -1.91728027515 TCL: Center of mass = 10.0883950358 0.808070980898 -1.91758658642 TCL: Center of mass = 10.0915284122 0.808187965185 -1.91789113858 TCL: Center of mass = 10.094655918 0.808305613635 -1.91819641171 TCL: Center of mass = 10.0977910977 0.808425472215 -1.91849494378 TCL: Center of mass = 10.1009317413 0.808549535014 -1.91879234372 TCL: Center of mass = 10.1040821552 0.808684696809 -1.91909417048 TCL: Center of mass = 10.1072284719 0.808827826613 -1.91939094703 TCL: Center of mass = 10.1103756496 0.808972166419 -1.91969278779 TCL: Center of mass = 10.1135178745 0.809099090379 -1.91999111401 TCL: Center of mass = 10.116660593 0.809223521351 -1.92029954194 TCL: Center of mass = 10.1198028152 0.809337405202 -1.92061514649 TCL: Center of mass = 10.1229392094 0.809461681749 -1.92092385588 TCL: Center of mass = 10.1260799609 0.809577973445 -1.92124535023 TCL: Center of mass = 10.1292207845 0.80969026563 -1.92155653052 TCL: Center of mass = 10.1323554031 0.809798988182 -1.92186748149 TCL: Center of mass = 10.1354750112 0.809910968293 -1.9221762399 TCL: Center of mass = 10.1385899071 0.8100109945 -1.9224723793 TCL: Center of mass = 10.1417022826 0.81011052332 -1.92276984726 TCL: Center of mass = 10.1448109931 0.810208552405 -1.92305998175 TCL: Center of mass = 10.1479221565 0.810293653223 -1.92335252871 TCL: Center of mass = 10.1510366263 0.810367459463 -1.92365101677 TCL: Center of mass = 10.154156888 0.810453044037 -1.92393229181 TCL: Center of mass = 10.1572676671 0.81053893211 -1.924207524 TCL: Center of mass = 10.1603734364 0.810605259559 -1.92448498715 TCL: Center of mass = 10.1634806602 0.810665551017 -1.92474710099 TCL: Center of mass = 10.1665896762 0.810734486943 -1.92500023078 TCL: Center of mass = 10.1697055677 0.8107982062 -1.92524981811 TCL: Center of mass = 10.1728164836 0.810855571635 -1.92550143627 TCL: Center of mass = 10.1759340754 0.81091473722 -1.9257469839 TCL: Center of mass = 10.1790543558 0.810975811983 -1.92598394222 TCL: Center of mass = 10.182183496 0.811024642369 -1.92621569717 TCL: Center of mass = 10.1853057066 0.811064850803 -1.92644636339 TCL: Center of mass = 10.188417052 0.811111063896 -1.92668434194 TCL: Center of mass = 10.191518495 0.811153026607 -1.92692754014 TCL: Center of mass = 10.1946166608 0.811206306141 -1.92717633165 TCL: Center of mass = 10.1977154685 0.811255054707 -1.92742838775 TCL: Center of mass = 10.2008156695 0.811303829903 -1.92769226845 TCL: Center of mass = 10.203925944 0.811341517029 -1.9279552731 TCL: Center of mass = 10.2070432476 0.811373832895 -1.92822805917 TCL: Center of mass = 10.2101524551 0.811402776046 -1.92849136653 TCL: Center of mass = 10.2132594356 0.811436198093 -1.92874871182 TCL: Center of mass = 10.2163735914 0.811488688333 -1.92900877455 TCL: Center of mass = 10.2194937668 0.811528356346 -1.9292705409 TCL: Center of mass = 10.2226289277 0.811560866993 -1.92952777791 TCL: Center of mass = 10.2257663531 0.81159292294 -1.92979429283 TCL: Center of mass = 10.2289108107 0.811627952851 -1.9300572008 TCL: Center of mass = 10.2320584083 0.811662122075 -1.93031761479 TCL: Center of mass = 10.2352062017 0.811690123258 -1.93058075662 TCL: Center of mass = 10.2383409259 0.811724236997 -1.93084438787 TCL: Center of mass = 10.2414831294 0.811767012657 -1.93110955513 TCL: Center of mass = 10.2446260674 0.811809190278 -1.93136734586 TCL: Center of mass = 10.2477585773 0.811862819487 -1.9316275138 TCL: Center of mass = 10.2508964029 0.811908775967 -1.93190047728 TCL: Center of mass = 10.2540258499 0.811949383206 -1.93218226911 TCL: Center of mass = 10.2571576209 0.811983105618 -1.93247476971 TCL: Center of mass = 10.2602843214 0.812020731104 -1.93276585871 TCL: Center of mass = 10.2634167691 0.81206234755 -1.93305901268 TCL: Center of mass = 10.2665584668 0.812110283331 -1.9333496028 TCL: Center of mass = 10.2696950237 0.812152970769 -1.93363754119 TCL: Center of mass = 10.2728098817 0.812194582532 -1.93391926193 TCL: Center of mass = 10.2759400443 0.812243278245 -1.93421050946 TCL: Center of mass = 10.2790782672 0.812300108319 -1.9345163941 TCL: Center of mass = 10.2822069992 0.812363717357 -1.93481328621 TCL: Center of mass = 10.2853434314 0.812416174533 -1.93509890725 TCL: Center of mass = 10.2884711159 0.81246754464 -1.93537502364 TCL: Center of mass = 10.2915971801 0.812523796728 -1.93564335656 TCL: Center of mass = 10.2947130195 0.812578507145 -1.93591396745 TCL: Center of mass = 10.2978369773 0.812628433464 -1.9361896895 TCL: Center of mass = 10.3009644956 0.812691251369 -1.93645879882 TCL: Center of mass = 10.3040965873 0.81276343601 -1.9367169015 TCL: Center of mass = 10.3072272301 0.812829736398 -1.93696728098 TCL: Center of mass = 10.3103604967 0.812894604251 -1.93721505534 TCL: Center of mass = 10.3134983239 0.812951034954 -1.93746420156 TCL: Center of mass = 10.3166332835 0.813008665969 -1.93770780259 TCL: Center of mass = 10.3197502566 0.813069492815 -1.93795912046 TCL: Center of mass = 10.3228670229 0.813134774531 -1.93820066 TCL: Center of mass = 10.3259932068 0.813204953869 -1.93845918006 TCL: Center of mass = 10.3291144317 0.813289043532 -1.93871877517 TIMING: 4400 CPU: 365.954, 0.0844172/step Wall: 448.064, 0.103529/step, 0.448624 hours remaining, 20480 kB of memory in use. ENERGY: 4400 398.5965 686.5116 421.3595 39.5677 -2802.6572 -217.4890 0.0000 0.0000 1131.0849 -343.0260 308.2523 -334.7275 -332.7061 306.5571 549.8392 585.8234 64000.0000 255.1214 255.3447 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 = 10.3322380349 0.813380490019 -1.93897498885 TCL: Center of mass = 10.3353594443 0.813473913385 -1.93922752426 TCL: Center of mass = 10.3384889232 0.813557157769 -1.93948374592 TCL: Center of mass = 10.3416265101 0.813642003272 -1.93974608569 TCL: Center of mass = 10.3447661346 0.813724619822 -1.94000482154 TCL: Center of mass = 10.3479079365 0.813808129793 -1.94025326635 TCL: Center of mass = 10.3510474044 0.813890338851 -1.94051021552 TCL: Center of mass = 10.3541736934 0.813968431184 -1.94076441946 TCL: Center of mass = 10.3573070395 0.814038532568 -1.94101237283 TCL: Center of mass = 10.3604526945 0.814101257833 -1.94125684125 TCL: Center of mass = 10.3636102503 0.814167322679 -1.94150278989 TCL: Center of mass = 10.3667827709 0.814236777914 -1.94175855799 TCL: Center of mass = 10.3699528742 0.814306805064 -1.94200968362 TCL: Center of mass = 10.3731189186 0.814378205585 -1.94226229603 TCL: Center of mass = 10.3762960133 0.814453343333 -1.94252340013 TCL: Center of mass = 10.3794756681 0.814523054438 -1.94278747507 TCL: Center of mass = 10.3826498733 0.814588742152 -1.94305399062 TCL: Center of mass = 10.385835454 0.814648617137 -1.94331092167 TCL: Center of mass = 10.3890117927 0.814711582936 -1.94357222377 TCL: Center of mass = 10.3921797709 0.814768619365 -1.94382707306 TCL: Center of mass = 10.3953556874 0.814830249419 -1.94406980875 TCL: Center of mass = 10.3985430546 0.814897911224 -1.94430828741 TCL: Center of mass = 10.4017303346 0.814957518123 -1.94454825178 TCL: Center of mass = 10.4049134974 0.815025621119 -1.94478687868 TCL: Center of mass = 10.4080903418 0.815098106974 -1.94502687521 TCL: Center of mass = 10.4112805558 0.815167130566 -1.94525197673 TCL: Center of mass = 10.4144659685 0.81524031937 -1.94548263685 TCL: Center of mass = 10.4176595364 0.815310700054 -1.9457003429 TCL: Center of mass = 10.4208537781 0.815374741784 -1.94590306381 TCL: Center of mass = 10.4240568945 0.815427982969 -1.94610999322 TCL: Center of mass = 10.4272687638 0.815483782235 -1.9463067514 TCL: Center of mass = 10.4304812343 0.815538832207 -1.94649824314 TCL: Center of mass = 10.4336880372 0.815588978536 -1.94668798488 TCL: Center of mass = 10.4368982433 0.815642130375 -1.94687208957 TCL: Center of mass = 10.4401011485 0.815696546876 -1.94705534838 TCL: Center of mass = 10.4433076421 0.815748991791 -1.94723997588 TCL: Center of mass = 10.4465091902 0.815819636192 -1.9474296998 TCL: Center of mass = 10.4497111474 0.815897189452 -1.94762094436 TCL: Center of mass = 10.4529129628 0.815976774526 -1.94781235912 TCL: Center of mass = 10.456112673 0.816052691916 -1.94800480257 TCL: Center of mass = 10.4593181289 0.816130440639 -1.94818965823 TCL: Center of mass = 10.4625205915 0.816206743591 -1.94837088971 TCL: Center of mass = 10.4657334144 0.816267377707 -1.94854625093 TCL: Center of mass = 10.4689459418 0.8163352611 -1.94871028402 TCL: Center of mass = 10.4721541003 0.816398347124 -1.94886890182 TCL: Center of mass = 10.4753625885 0.816467064618 -1.94903366851 TCL: Center of mass = 10.4785705523 0.816542702523 -1.94920939459 TCL: Center of mass = 10.4817758906 0.816617645886 -1.9493893117 TCL: Center of mass = 10.4849777342 0.816691006598 -1.94957852948 TCL: Center of mass = 10.4881694358 0.816762193472 -1.9497625712 TCL: Center of mass = 10.49137423 0.816834096648 -1.94995698593 TCL: Center of mass = 10.4945992778 0.816901979166 -1.95014724238 TCL: Center of mass = 10.4978223624 0.816975131667 -1.95032872989 TCL: Center of mass = 10.5010334655 0.817037936197 -1.95050541461 TCL: Center of mass = 10.5042512559 0.817105813162 -1.9506823049 TCL: Center of mass = 10.5074611621 0.817175593624 -1.95086535148 TCL: Center of mass = 10.5106681392 0.817240516893 -1.95104093183 TCL: Center of mass = 10.5138807474 0.817297077856 -1.95121364641 TCL: Center of mass = 10.5170913851 0.817344025151 -1.95137829574 TCL: Center of mass = 10.5202925226 0.817382250109 -1.95154152996 TCL: Center of mass = 10.5235047777 0.817429087316 -1.95171702661 TCL: Center of mass = 10.5267214792 0.817478297738 -1.95188871278 TCL: Center of mass = 10.5299355265 0.817535204633 -1.95205181725 TCL: Center of mass = 10.5331401307 0.817597530209 -1.95220358429 TCL: Center of mass = 10.536361696 0.817645804675 -1.95237062678 TCL: Center of mass = 10.5395905536 0.817692901391 -1.95253397635 TCL: Center of mass = 10.5428237216 0.817736646427 -1.95268174233 TCL: Center of mass = 10.5460599414 0.817791421127 -1.95283172272 TCL: Center of mass = 10.549310712 0.817852910017 -1.95298268444 TCL: Center of mass = 10.5525696652 0.817917262267 -1.95313962158 TCL: Center of mass = 10.555826609 0.817992333503 -1.95330436891 TCL: Center of mass = 10.5590848532 0.818071260068 -1.9534721257 TCL: Center of mass = 10.5623365049 0.818151465802 -1.9536368623 TCL: Center of mass = 10.5655785344 0.818238228435 -1.9538096809 TCL: Center of mass = 10.5688145035 0.818328462723 -1.95398769386 TCL: Center of mass = 10.5720548525 0.818438645774 -1.9541629524 TCL: Center of mass = 10.5752935814 0.818543866948 -1.95434614314 TCL: Center of mass = 10.5785351049 0.818645469762 -1.95452265127 TCL: Center of mass = 10.5817709261 0.818744024772 -1.95469574032 TCL: Center of mass = 10.5850077164 0.818834071942 -1.95487195303 TCL: Center of mass = 10.5882357894 0.818921049344 -1.95504522276 TCL: Center of mass = 10.591470301 0.819004127388 -1.95522065111 TCL: Center of mass = 10.5947064947 0.819064420982 -1.95539324604 TCL: Center of mass = 10.5979457592 0.819125296975 -1.95556211696 TCL: Center of mass = 10.6011747151 0.819198514681 -1.95573606067 TCL: Center of mass = 10.6044004848 0.81926645461 -1.95590188636 TCL: Center of mass = 10.6076325676 0.819342170095 -1.95607026628 TCL: Center of mass = 10.6108698818 0.81941936417 -1.95623261539 TCL: Center of mass = 10.6141052109 0.819496245828 -1.95639290641 TCL: Center of mass = 10.6173343669 0.819581356938 -1.95655191515 TCL: Center of mass = 10.6205620636 0.819667799581 -1.95671883383 TCL: Center of mass = 10.6237863179 0.819755932193 -1.95688811563 TCL: Center of mass = 10.6270020125 0.819838497946 -1.95705730449 TCL: Center of mass = 10.6302125138 0.819909999755 -1.95723102524 TCL: Center of mass = 10.6334217975 0.820002070262 -1.95740301642 TCL: Center of mass = 10.6366309313 0.820100341229 -1.95757370416 TCL: Center of mass = 10.6398424344 0.820203399415 -1.95775553531 TCL: Center of mass = 10.643049084 0.820304398018 -1.95794136297 TCL: Center of mass = 10.6462573416 0.8204076209 -1.9581367732 TCL: Center of mass = 10.6494528199 0.820494611099 -1.95833262342 TIMING: 4500 CPU: 374.363, 0.0840872/step Wall: 458.373, 0.10309/step, 0.443862 hours remaining, 20497 kB of memory in use. ENERGY: 4500 426.6026 669.0025 415.0856 47.8566 -2797.9935 -233.6990 0.0000 0.0000 1145.2570 -327.8883 312.1146 -319.0508 -319.4649 306.2680 200.1933 255.5724 64000.0000 214.3488 220.1283 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 = 10.6526456736 0.820595339677 -1.95852173765 TCL: Center of mass = 10.655841191 0.820691758647 -1.95870151018 TCL: Center of mass = 10.6590237175 0.820788220469 -1.95889042272 TCL: Center of mass = 10.6622149096 0.820883400961 -1.95908696046 TCL: Center of mass = 10.6654072519 0.820977555347 -1.95928129449 TCL: Center of mass = 10.6685959597 0.821064478649 -1.95947568519 TCL: Center of mass = 10.6717823603 0.821143459644 -1.95966165346 TCL: Center of mass = 10.6749630561 0.821224500734 -1.95984983128 TCL: Center of mass = 10.6781353605 0.821294216509 -1.96003296197 TCL: Center of mass = 10.6813130473 0.821382888891 -1.9602144257 TCL: Center of mass = 10.6844844447 0.821468644746 -1.96040149734 TCL: Center of mass = 10.6876560777 0.821563665685 -1.96057948797 TCL: Center of mass = 10.6908286884 0.821651660738 -1.96076505041 TCL: Center of mass = 10.6940019186 0.821736020156 -1.96093906574 TCL: Center of mass = 10.6971829794 0.821821513899 -1.96111956025 TCL: Center of mass = 10.700362127 0.821908178627 -1.96129780261 TCL: Center of mass = 10.7035468484 0.821999197201 -1.96148032536 TCL: Center of mass = 10.7067216332 0.8220903684 -1.96165282755 TCL: Center of mass = 10.7098964461 0.822182175666 -1.96182874814 TCL: Center of mass = 10.7130677471 0.822273455196 -1.96200459498 TCL: Center of mass = 10.7162572988 0.822375029335 -1.96217841723 TCL: Center of mass = 10.7194386792 0.822462495123 -1.96234749799 TCL: Center of mass = 10.7226217815 0.822546308357 -1.96251526997 TCL: Center of mass = 10.7258091874 0.822636983093 -1.96267803748 TCL: Center of mass = 10.7289927027 0.822718812514 -1.96285230786 TCL: Center of mass = 10.7321703519 0.822787471373 -1.96303021913 TCL: Center of mass = 10.735349295 0.822862051107 -1.96321861997 TCL: Center of mass = 10.7385233385 0.822935594792 -1.96340043837 TCL: Center of mass = 10.7416983229 0.823015650687 -1.96358065888 TCL: Center of mass = 10.7448804572 0.823093572935 -1.96376041828 TCL: Center of mass = 10.7480637117 0.823162469055 -1.96394547964 TCL: Center of mass = 10.7512512466 0.823238034926 -1.96412382619 TCL: Center of mass = 10.7544436438 0.823323735647 -1.96431248417 TCL: Center of mass = 10.7576362733 0.823411068228 -1.96450386717 TCL: Center of mass = 10.7608439515 0.823498162081 -1.96469258223 TCL: Center of mass = 10.7640477915 0.82359127815 -1.96487625596 TCL: Center of mass = 10.7672449014 0.823689217492 -1.96506861555 TCL: Center of mass = 10.7704469176 0.82379375542 -1.96525029343 TCL: Center of mass = 10.7736442642 0.823896101523 -1.96542204054 TCL: Center of mass = 10.776830696 0.823995072904 -1.96559705785 TCL: Center of mass = 10.7800037385 0.824082821609 -1.96577369135 TCL: Center of mass = 10.783176858 0.824182424413 -1.96595171942 TCL: Center of mass = 10.7863359534 0.824281892302 -1.96613309365 TCL: Center of mass = 10.7894864525 0.824377873343 -1.96631226652 TCL: Center of mass = 10.792650007 0.824489584221 -1.96649100702 TCL: Center of mass = 10.7958164319 0.824612645904 -1.96667381925 TCL: Center of mass = 10.7989880675 0.824745663575 -1.9668578843 TCL: Center of mass = 10.8021635362 0.824873412875 -1.96705183791 TCL: Center of mass = 10.805344452 0.8249974281 -1.96723475593 TCL: Center of mass = 10.8085197211 0.825122201882 -1.96741427625 TCL: Center of mass = 10.8116869906 0.825254441815 -1.96759469913 TCL: Center of mass = 10.8148468788 0.825384179474 -1.96777312165 TCL: Center of mass = 10.818007093 0.825513955286 -1.96795860348 TCL: Center of mass = 10.8211928646 0.825636136386 -1.96814742788 TCL: Center of mass = 10.824377374 0.825769332531 -1.96831184901 TCL: Center of mass = 10.8275532741 0.825914422092 -1.96848316818 TCL: Center of mass = 10.8307325685 0.826058193035 -1.96864525195 TCL: Center of mass = 10.8339195843 0.826200901282 -1.96880881482 TCL: Center of mass = 10.8371205243 0.826343375159 -1.96896797363 TCL: Center of mass = 10.840315552 0.826484492867 -1.96911657342 TCL: Center of mass = 10.8435126984 0.826632348655 -1.9692772746 TCL: Center of mass = 10.8467057923 0.826787372537 -1.96944037709 TCL: Center of mass = 10.849893442 0.826937843751 -1.96958985065 TCL: Center of mass = 10.8530723776 0.827088570163 -1.96974036572 TCL: Center of mass = 10.8562522705 0.827252055246 -1.96988633425 TCL: Center of mass = 10.8594360563 0.827429266274 -1.97003208653 TCL: Center of mass = 10.8626088404 0.827606429391 -1.97017674635 TCL: Center of mass = 10.8657878576 0.827781535866 -1.97032990955 TCL: Center of mass = 10.8689547175 0.82796247623 -1.97048141716 TCL: Center of mass = 10.8721155593 0.828150280803 -1.97063958844 TCL: Center of mass = 10.8752800618 0.828344613694 -1.97080438748 TCL: Center of mass = 10.8784415273 0.828542800231 -1.97095686504 TCL: Center of mass = 10.8816022341 0.828740804765 -1.97109929366 TCL: Center of mass = 10.8847666583 0.828922638283 -1.97123867387 TCL: Center of mass = 10.8879367753 0.829099368221 -1.97136727141 TCL: Center of mass = 10.8911100499 0.829281455051 -1.97148843584 TCL: Center of mass = 10.8942930477 0.829465735821 -1.97161060793 TCL: Center of mass = 10.8974701818 0.829656154886 -1.9717271395 TCL: Center of mass = 10.9006518639 0.829858961963 -1.97184219185 TCL: Center of mass = 10.9038476853 0.830064276819 -1.97196375662 TCL: Center of mass = 10.9070376635 0.830263133023 -1.97210258205 TCL: Center of mass = 10.9102216685 0.830460309212 -1.97224474371 TCL: Center of mass = 10.9134082034 0.830661907336 -1.97237903416 TCL: Center of mass = 10.9165934555 0.83085896309 -1.97251818664 TCL: Center of mass = 10.9197721601 0.831056774086 -1.97264179842 TCL: Center of mass = 10.9229502627 0.831253686207 -1.97276649497 TCL: Center of mass = 10.9261138053 0.831453070661 -1.97289566283 TCL: Center of mass = 10.9292660355 0.831646156793 -1.97303607264 TCL: Center of mass = 10.9324203975 0.831840439734 -1.97319479501 TCL: Center of mass = 10.9355821749 0.832031862902 -1.97334032107 TCL: Center of mass = 10.9387296758 0.832223341758 -1.97349219975 TCL: Center of mass = 10.9418843303 0.832429616276 -1.97363958017 TCL: Center of mass = 10.9450439201 0.832641445581 -1.97379178927 TCL: Center of mass = 10.9482002268 0.832842052434 -1.97395081933 TCL: Center of mass = 10.9513489489 0.833040222269 -1.97410587623 TCL: Center of mass = 10.9545093239 0.833217272443 -1.97426582504 TCL: Center of mass = 10.957684585 0.833398055135 -1.97443928943 TCL: Center of mass = 10.9608585065 0.833577414314 -1.97462132889 TCL: Center of mass = 10.9640245047 0.833762390102 -1.97479489937 TCL: Center of mass = 10.9671849465 0.833945455183 -1.97496713939 TIMING: 4600 CPU: 382.807, 0.0844372/step Wall: 468.719, 0.103461/step, 0.442582 hours remaining, 20512 kB of memory in use. ENERGY: 4600 384.1009 721.9791 410.7408 34.6912 -2797.6493 -227.3182 0.0000 0.0000 1141.9314 -331.5242 311.2082 -322.8915 -322.4822 308.7097 530.9259 451.0653 64000.0000 335.4161 334.7735 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 = 10.970338817 0.83412549679 -1.9751412624 TCL: Center of mass = 10.9734986183 0.834307235177 -1.97531743312 TCL: Center of mass = 10.9766624449 0.834500317326 -1.97550402357 TCL: Center of mass = 10.9798234375 0.83468452768 -1.9756815548 TCL: Center of mass = 10.9829804061 0.834861228001 -1.97586257854 TCL: Center of mass = 10.9861420484 0.835033658649 -1.97603474745 TCL: Center of mass = 10.9893038692 0.835209385817 -1.97620234178 TCL: Center of mass = 10.9924732771 0.835371817793 -1.97637586883 TCL: Center of mass = 10.9956424514 0.835543701426 -1.97655174873 TCL: Center of mass = 10.9988118997 0.835715308913 -1.97673184503 TCL: Center of mass = 11.0019871032 0.83587550479 -1.97688983128 TCL: Center of mass = 11.0051596526 0.836039019967 -1.97705332964 TCL: Center of mass = 11.008320673 0.836198954453 -1.97720804244 TCL: Center of mass = 11.0114823666 0.836357003266 -1.97735127094 TCL: Center of mass = 11.0146326674 0.836526259826 -1.97750519811 TCL: Center of mass = 11.0177896207 0.836697606826 -1.97766725539 TCL: Center of mass = 11.0209414261 0.836865478579 -1.97783571643 TCL: Center of mass = 11.0240913578 0.837025571132 -1.97800516043 TCL: Center of mass = 11.0272423542 0.837185761836 -1.9781814145 TCL: Center of mass = 11.0303792723 0.837340717612 -1.97835402433 TCL: Center of mass = 11.0335263214 0.837489036426 -1.97851512725 TCL: Center of mass = 11.0366749251 0.837633935024 -1.9786677121 TCL: Center of mass = 11.039818613 0.837771467056 -1.9788180135 TCL: Center of mass = 11.0429514114 0.837911907962 -1.97895516252 TCL: Center of mass = 11.0460906234 0.838058300231 -1.97910642929 TCL: Center of mass = 11.0492263324 0.838222619848 -1.97924751327 TCL: Center of mass = 11.052366385 0.838391342948 -1.97938030349 TCL: Center of mass = 11.0555145613 0.838570096539 -1.97950678972 TCL: Center of mass = 11.0586600358 0.838745092252 -1.97963731015 TCL: Center of mass = 11.0618167218 0.838914875792 -1.97975445341 TCL: Center of mass = 11.0649739627 0.839094225915 -1.97986973878 TCL: Center of mass = 11.0681338872 0.839289409969 -1.97998270166 TCL: Center of mass = 11.0713040341 0.839479116367 -1.98009198152 TCL: Center of mass = 11.0744647476 0.839660926017 -1.98019674506 TCL: Center of mass = 11.0776257356 0.839842500113 -1.98029914775 TCL: Center of mass = 11.0807906729 0.840025331126 -1.98041029712 TCL: Center of mass = 11.0839616011 0.840208159848 -1.98052306707 TCL: Center of mass = 11.0871498925 0.840379938738 -1.98063687805 TCL: Center of mass = 11.0903389188 0.840558076111 -1.98075995156 TCL: Center of mass = 11.0935274095 0.840746863516 -1.98088409004 TCL: Center of mass = 11.0967262927 0.840929181991 -1.98101203762 TCL: Center of mass = 11.099926952 0.841105522186 -1.98113520238 TCL: Center of mass = 11.1031325098 0.841277304579 -1.98126051253 TCL: Center of mass = 11.1063347372 0.841473909852 -1.98137907721 TCL: Center of mass = 11.1095337554 0.841684292525 -1.98149032415 TCL: Center of mass = 11.1127162551 0.841885758169 -1.98159861151 TCL: Center of mass = 11.1158837689 0.842091602851 -1.98169212372 TCL: Center of mass = 11.1190635289 0.842290177487 -1.98178943004 TCL: Center of mass = 11.122232664 0.842492356843 -1.9818877274 TCL: Center of mass = 11.1253887352 0.842693199135 -1.98200204485 TCL: Center of mass = 11.1285504642 0.842896040284 -1.98210424047 TCL: Center of mass = 11.1317120644 0.843104624976 -1.98220630832 TCL: Center of mass = 11.1348718792 0.843324597604 -1.98231511729 TCL: Center of mass = 11.1380314542 0.843546266297 -1.98242815262 TCL: Center of mass = 11.1411927516 0.843766674931 -1.98255712129 TCL: Center of mass = 11.1443563758 0.843983248046 -1.98269314826 TCL: Center of mass = 11.1475097706 0.844206532268 -1.98282029777 TCL: Center of mass = 11.1506587381 0.844426049711 -1.98294010041 TCL: Center of mass = 11.1538070357 0.844641975461 -1.98305570764 TCL: Center of mass = 11.1569357665 0.844847633227 -1.98316883817 TCL: Center of mass = 11.1600529978 0.84505409898 -1.98328373145 TCL: Center of mass = 11.1631657686 0.845246811826 -1.9834059601 TCL: Center of mass = 11.166283849 0.845450448173 -1.9835134577 TCL: Center of mass = 11.1693982079 0.845655917763 -1.98362451779 TCL: Center of mass = 11.1725058959 0.84587265805 -1.98373917287 TCL: Center of mass = 11.1756071075 0.846084754922 -1.98385587383 TCL: Center of mass = 11.1787030296 0.84630658052 -1.983972627 TCL: Center of mass = 11.1817878515 0.846527391042 -1.98409212939 TCL: Center of mass = 11.1848697069 0.846744772636 -1.98420488414 TCL: Center of mass = 11.187950906 0.846956104889 -1.98432597503 TCL: Center of mass = 11.1910422625 0.847172529759 -1.98444867814 TCL: Center of mass = 11.1941185894 0.847383121092 -1.98458567489 TCL: Center of mass = 11.1971987488 0.847591452223 -1.98472389544 TCL: Center of mass = 11.2002868027 0.847801442532 -1.98485886849 TCL: Center of mass = 11.203377786 0.848020673683 -1.9849905321 TCL: Center of mass = 11.2064627498 0.848245420199 -1.98512151866 TCL: Center of mass = 11.2095336456 0.848468883986 -1.98525270313 TCL: Center of mass = 11.2125908709 0.84868927063 -1.98538805559 TCL: Center of mass = 11.2156492687 0.848919551431 -1.98552024139 TCL: Center of mass = 11.2186961782 0.8491413626 -1.98565036994 TCL: Center of mass = 11.2217451782 0.849349871092 -1.9857730418 TCL: Center of mass = 11.2248047187 0.849557152653 -1.98589619293 TCL: Center of mass = 11.2278632967 0.849766505569 -1.98600901333 TCL: Center of mass = 11.2309088385 0.849964708372 -1.98611620633 TCL: Center of mass = 11.2339494775 0.850165597722 -1.98621403121 TCL: Center of mass = 11.236999696 0.850370047412 -1.98631012342 TCL: Center of mass = 11.2400500036 0.850578172258 -1.98640035007 TCL: Center of mass = 11.2430925767 0.850787771177 -1.98649013151 TCL: Center of mass = 11.2461480763 0.85100368965 -1.98656994502 TCL: Center of mass = 11.2492087458 0.851225474129 -1.98664935545 TCL: Center of mass = 11.2522686475 0.851439970822 -1.98673478356 TCL: Center of mass = 11.2553268957 0.851654541339 -1.98681676337 TCL: Center of mass = 11.2583707565 0.851863819446 -1.98689419344 TCL: Center of mass = 11.261407126 0.852081832308 -1.98697260912 TCL: Center of mass = 11.264439379 0.852306767575 -1.98705834953 TCL: Center of mass = 11.2674728188 0.852514960448 -1.98715029301 TCL: Center of mass = 11.2705188057 0.852729373449 -1.98724283832 TCL: Center of mass = 11.273569149 0.852932343208 -1.98733557639 TCL: Center of mass = 11.2766191191 0.853141268009 -1.9874302847 TCL: Center of mass = 11.279672389 0.853336865226 -1.98754714572 TIMING: 4700 CPU: 391.166, 0.0835873/step Wall: 478.967, 0.102477/step, 0.435526 hours remaining, 20538 kB of memory in use. ENERGY: 4700 397.8759 671.6870 425.3316 47.0207 -2778.6531 -216.8843 0.0000 0.0000 1115.6791 -337.9431 304.0538 -328.9853 -330.2084 308.5508 25.6170 177.7949 64000.0000 208.9898 206.0295 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 = 11.2827173365 0.853535762999 -1.98767537179 TCL: Center of mass = 11.285747313 0.853748322123 -1.98780457524 TCL: Center of mass = 11.2887650865 0.853962420214 -1.98793984671 TCL: Center of mass = 11.2917838115 0.854177084153 -1.98806979101 TCL: Center of mass = 11.2948167194 0.85437789913 -1.98820916647 TCL: Center of mass = 11.2978438154 0.854567794136 -1.98835311716 TCL: Center of mass = 11.3008690621 0.854755160679 -1.98851163843 TCL: Center of mass = 11.3038903481 0.854937101524 -1.98866029992 TCL: Center of mass = 11.3069143712 0.855110802653 -1.98880614744 TCL: Center of mass = 11.3099425708 0.855286881109 -1.98895906525 TCL: Center of mass = 11.3129645908 0.855467137094 -1.98911673863 TCL: Center of mass = 11.3159774525 0.855665780795 -1.98927003943 TCL: Center of mass = 11.3189909119 0.855869511402 -1.98942508568 TCL: Center of mass = 11.321992559 0.856072190298 -1.98957066121 TCL: Center of mass = 11.3249847573 0.856271978579 -1.98971227783 TCL: Center of mass = 11.3279738654 0.856468115358 -1.98984375582 TCL: Center of mass = 11.3309633665 0.856666374877 -1.98997698635 TCL: Center of mass = 11.3339458891 0.856867091705 -1.99011077998 TCL: Center of mass = 11.3369427238 0.857059759191 -1.99024053038 TCL: Center of mass = 11.3399469032 0.857256427762 -1.99036815833 TCL: Center of mass = 11.3429528452 0.857453635348 -1.9904808778 TCL: Center of mass = 11.3459614775 0.857657178858 -1.9905936945 TCL: Center of mass = 11.3489688436 0.85786768549 -1.99070921545 TCL: Center of mass = 11.3519715978 0.858075257945 -1.99083055284 TCL: Center of mass = 11.354978475 0.858282317493 -1.9909503683 TCL: Center of mass = 11.3579745828 0.858486582657 -1.99107428875 TCL: Center of mass = 11.3609730459 0.858686037625 -1.99118472915 TCL: Center of mass = 11.3639735741 0.858888854108 -1.99129637613 TCL: Center of mass = 11.366985894 0.859088648973 -1.99140100147 TCL: Center of mass = 11.369999886 0.859276899353 -1.99150705013 TCL: Center of mass = 11.3730202553 0.859481428015 -1.9916329836 TCL: Center of mass = 11.3760451125 0.859677553709 -1.99177310464 TCL: Center of mass = 11.3790758686 0.859882879023 -1.9919117931 TCL: Center of mass = 11.3821005657 0.860109614959 -1.99205796052 TCL: Center of mass = 11.385129952 0.86033908729 -1.99220295594 TCL: Center of mass = 11.3881609167 0.860565240292 -1.9923504627 TCL: Center of mass = 11.3911967811 0.860785611383 -1.99250729188 TCL: Center of mass = 11.3942311758 0.861017284729 -1.99266323432 TCL: Center of mass = 11.3972649805 0.861255630151 -1.99281977669 TCL: Center of mass = 11.4002905481 0.861500054508 -1.99298936122 TCL: Center of mass = 11.4033188276 0.861750563753 -1.99316121783 TCL: Center of mass = 11.4063510253 0.862012288167 -1.99332277164 TCL: Center of mass = 11.4093812078 0.862283799235 -1.9934892149 TCL: Center of mass = 11.412418317 0.862553017227 -1.99366187776 TCL: Center of mass = 11.415464721 0.862833526398 -1.99384404753 TCL: Center of mass = 11.4185107874 0.863120797667 -1.99402542715 TCL: Center of mass = 11.4215630176 0.863408411726 -1.99421198832 TCL: Center of mass = 11.4246212324 0.863691679702 -1.99439364145 TCL: Center of mass = 11.4276751093 0.863962959135 -1.9945778051 TCL: Center of mass = 11.4307214067 0.864231227164 -1.99474434814 TCL: Center of mass = 11.4337696234 0.864505635083 -1.99491765553 TCL: Center of mass = 11.4368180933 0.864777377432 -1.99508822222 TCL: Center of mass = 11.4398699499 0.865064558967 -1.99527843429 TCL: Center of mass = 11.4429225969 0.865348575442 -1.99544840295 TCL: Center of mass = 11.4459789408 0.865637667536 -1.99560716132 TCL: Center of mass = 11.4490287853 0.865919080367 -1.99576645082 TCL: Center of mass = 11.4520667351 0.866199985571 -1.99592317331 TCL: Center of mass = 11.455110018 0.866475705194 -1.99608381115 TCL: Center of mass = 11.4581471701 0.866741260698 -1.99625291255 TCL: Center of mass = 11.4611814502 0.867006557602 -1.99641921411 TCL: Center of mass = 11.4642145695 0.867270363315 -1.99658773805 TCL: Center of mass = 11.4672409658 0.86753456383 -1.99675465639 TCL: Center of mass = 11.4702479655 0.867802970939 -1.99692642659 TCL: Center of mass = 11.4732483983 0.868078174948 -1.99710413908 TCL: Center of mass = 11.4762469856 0.868356314603 -1.99727937932 TCL: Center of mass = 11.4792458313 0.868630442749 -1.99744967043 TCL: Center of mass = 11.4822442828 0.868904545892 -1.99762826296 TCL: Center of mass = 11.4852359672 0.869175042102 -1.99781911796 TCL: Center of mass = 11.4882395414 0.869448793741 -1.99801263703 TCL: Center of mass = 11.4912361235 0.86972942586 -1.99820788016 TCL: Center of mass = 11.4942259779 0.870011662524 -1.99839636635 TCL: Center of mass = 11.4972296811 0.870293180424 -1.99858767094 TCL: Center of mass = 11.5002343051 0.870578223755 -1.99877337704 TCL: Center of mass = 11.5032324914 0.870859722674 -1.99895114223 TCL: Center of mass = 11.5062274121 0.8711474747 -1.99913083362 TCL: Center of mass = 11.5092204335 0.871437335503 -1.99931097207 TCL: Center of mass = 11.5122292663 0.87172897196 -1.99948515759 TCL: Center of mass = 11.5152360588 0.872013653993 -1.99965675346 TCL: Center of mass = 11.5182492899 0.872292126147 -1.99982993586 TCL: Center of mass = 11.5212703633 0.872565384324 -2.00000264957 TCL: Center of mass = 11.5242979302 0.872850724268 -2.00017228311 TCL: Center of mass = 11.5273279031 0.873129756527 -2.00033515795 TCL: Center of mass = 11.5303488271 0.873405982421 -2.00049148749 TCL: Center of mass = 11.5333673617 0.87367345024 -2.00064117069 TCL: Center of mass = 11.5363863696 0.87392495755 -2.00079099931 TCL: Center of mass = 11.5394181812 0.87417443805 -2.00093752612 TCL: Center of mass = 11.5424425259 0.874437854782 -2.00107817532 TCL: Center of mass = 11.5454601872 0.874686214108 -2.00121934831 TCL: Center of mass = 11.5484738654 0.874939673388 -2.0013622926 TCL: Center of mass = 11.5514894009 0.875188279475 -2.00150892118 TCL: Center of mass = 11.5544967574 0.87543060993 -2.00165936296 TCL: Center of mass = 11.5575112112 0.875664419049 -2.00180343843 TCL: Center of mass = 11.5605210093 0.875921010796 -2.00193994192 TCL: Center of mass = 11.5635337636 0.876176914927 -2.00207719497 TCL: Center of mass = 11.5665533018 0.876448817857 -2.00221691716 TCL: Center of mass = 11.569581828 0.87672000062 -2.00236686266 TCL: Center of mass = 11.5726155444 0.8769944887 -2.00251268476 TCL: Center of mass = 11.5756501714 0.877286871305 -2.00266178717 TCL: Center of mass = 11.5786762175 0.877579553728 -2.0028115306 TCL: Center of mass = 11.5816936692 0.877877446182 -2.00295711209 TIMING: 4800 CPU: 399.573, 0.0840772/step Wall: 489.271, 0.103049/step, 0.435097 hours remaining, 20555 kB of memory in use. ENERGY: 4800 418.1490 709.0986 413.5602 35.0147 -2772.3994 -226.3109 0.0000 0.0000 1085.3260 -337.5619 295.7817 -328.4100 -330.5288 303.2806 85.0238 317.5477 64000.0000 77.2262 74.2434 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 = 11.5847039415 0.878174286105 -2.00310849886 TCL: Center of mass = 11.5877047376 0.87847644728 -2.00326800151 TCL: Center of mass = 11.5906908192 0.878790261515 -2.00343157785 TCL: Center of mass = 11.5936749749 0.879094181512 -2.00360079697 TCL: Center of mass = 11.5966573219 0.879401681841 -2.00377141943 TCL: Center of mass = 11.5996405409 0.879709462059 -2.00393575034 TCL: Center of mass = 11.6026161427 0.880008377521 -2.0041011579 TCL: Center of mass = 11.6055821984 0.880301425732 -2.00426509308 TCL: Center of mass = 11.6085550611 0.880593328021 -2.00441976965 TCL: Center of mass = 11.6115353687 0.880877067564 -2.00456538202 TCL: Center of mass = 11.6145209555 0.881156977853 -2.00470627669 TCL: Center of mass = 11.6174928416 0.881445300307 -2.00484298422 TCL: Center of mass = 11.6204728655 0.881731606491 -2.00497918097 TCL: Center of mass = 11.6234491054 0.882015937442 -2.00510305559 TCL: Center of mass = 11.6264164631 0.882297707507 -2.00522540724 TCL: Center of mass = 11.6293846456 0.882579061186 -2.00534800998 TCL: Center of mass = 11.6323577768 0.882851875202 -2.00547531334 TCL: Center of mass = 11.6353201204 0.883112965771 -2.00560489482 TCL: Center of mass = 11.6382772865 0.883379671522 -2.00573219668 TCL: Center of mass = 11.6412370448 0.883653484327 -2.00585523628 TCL: Center of mass = 11.6441992432 0.883934835448 -2.00598674571 TCL: Center of mass = 11.6471497902 0.884208585474 -2.00610854807 TCL: Center of mass = 11.6501012796 0.884483802295 -2.00621798958 TCL: Center of mass = 11.653056686 0.884761498534 -2.00632994728 TCL: Center of mass = 11.6560203714 0.88504148815 -2.00642968667 TCL: Center of mass = 11.6589787252 0.885319843966 -2.00653741291 TCL: Center of mass = 11.6619447725 0.885587876364 -2.00664615415 TCL: Center of mass = 11.6649125457 0.885852546892 -2.00675933775 TCL: Center of mass = 11.6678837374 0.886124587171 -2.00688369649 TCL: Center of mass = 11.6708492702 0.88639105681 -2.007001613 TCL: Center of mass = 11.6738124215 0.886651305927 -2.00712658525 TCL: Center of mass = 11.6767760532 0.886908843452 -2.00725850526 TCL: Center of mass = 11.6797348586 0.887151843645 -2.00739035297 TCL: Center of mass = 11.6826854232 0.887414526888 -2.00752421583 TCL: Center of mass = 11.6856290458 0.887683972656 -2.00767368397 TCL: Center of mass = 11.688566591 0.88795156684 -2.00783297147 TCL: Center of mass = 11.6915067435 0.888229342183 -2.00798770151 TCL: Center of mass = 11.694449014 0.888507936294 -2.00813920309 TCL: Center of mass = 11.6973841368 0.888799381692 -2.00829856718 TCL: Center of mass = 11.7003393168 0.889095591356 -2.00845797241 TCL: Center of mass = 11.7032990644 0.889378071734 -2.00862189399 TCL: Center of mass = 11.7062496921 0.889658935918 -2.00879903382 TCL: Center of mass = 11.7091970485 0.889939486146 -2.00896455059 TCL: Center of mass = 11.712157963 0.890215515849 -2.00912588565 TCL: Center of mass = 11.7151161765 0.890485830636 -2.00929542159 TCL: Center of mass = 11.7180659655 0.890759606312 -2.00946742818 TCL: Center of mass = 11.7210156456 0.891041966745 -2.00963147187 TCL: Center of mass = 11.7239636998 0.891318489621 -2.00979979208 TCL: Center of mass = 11.7269047509 0.891595647694 -2.00996654376 TCL: Center of mass = 11.7298413809 0.891873033743 -2.01014081363 TCL: Center of mass = 11.7327886997 0.89215051388 -2.01030251855 TCL: Center of mass = 11.7357412994 0.892435425513 -2.01045919763 TCL: Center of mass = 11.7386884207 0.892739191658 -2.01061453814 TCL: Center of mass = 11.7416312491 0.893042271369 -2.01078822494 TCL: Center of mass = 11.7445778602 0.893344669128 -2.01096547522 TCL: Center of mass = 11.7475234598 0.893641785312 -2.01114981416 TCL: Center of mass = 11.7504731504 0.893950978195 -2.01134311089 TCL: Center of mass = 11.7534234601 0.894256550503 -2.01154422008 TCL: Center of mass = 11.7563747463 0.8945525168 -2.01175096425 TCL: Center of mass = 11.759322723 0.894852060671 -2.01195081956 TCL: Center of mass = 11.7622678829 0.895151318271 -2.01215407514 TCL: Center of mass = 11.7652114695 0.895444507183 -2.01236205542 TCL: Center of mass = 11.7681544951 0.895744107034 -2.01257401337 TCL: Center of mass = 11.7711038364 0.89603239607 -2.012794775 TCL: Center of mass = 11.7740503345 0.896302373647 -2.0130180252 TCL: Center of mass = 11.7770010973 0.896568976615 -2.01325223986 TCL: Center of mass = 11.779950784 0.896855089687 -2.01349418604 TCL: Center of mass = 11.7828964355 0.897138135576 -2.01374114367 TCL: Center of mass = 11.7858347967 0.897419213039 -2.01399063265 TCL: Center of mass = 11.78877938 0.897701167652 -2.014250946 TCL: Center of mass = 11.7917199372 0.897976451146 -2.01452624506 TCL: Center of mass = 11.7946554662 0.898251734379 -2.01480571391 TCL: Center of mass = 11.7975871212 0.898535161167 -2.01509741208 TCL: Center of mass = 11.8005133369 0.898806179505 -2.01537960307 TCL: Center of mass = 11.8034294002 0.89907687479 -2.01565954864 TCL: Center of mass = 11.8063543221 0.899339247547 -2.01593502774 TCL: Center of mass = 11.8092805476 0.899597374432 -2.01621085629 TCL: Center of mass = 11.8122059673 0.899859517033 -2.01648983811 TCL: Center of mass = 11.8151403565 0.900117560782 -2.016755869 TCL: Center of mass = 11.8180748171 0.900373209097 -2.01702427163 TCL: Center of mass = 11.8210074168 0.900624981622 -2.01730757546 TCL: Center of mass = 11.8239420843 0.900883473448 -2.01758924946 TCL: Center of mass = 11.8268781184 0.901143710175 -2.01786554948 TCL: Center of mass = 11.8298267895 0.901401666317 -2.01813746316 TCL: Center of mass = 11.8327785046 0.901667968578 -2.01842103925 TCL: Center of mass = 11.8357364931 0.901936301439 -2.01869380812 TCL: Center of mass = 11.838695187 0.902207344075 -2.01896343809 TCL: Center of mass = 11.8416493631 0.902483428597 -2.01922434727 TCL: Center of mass = 11.8446024725 0.902754506391 -2.01947984011 TCL: Center of mass = 11.8475434523 0.903018829509 -2.01974399091 TCL: Center of mass = 11.850490636 0.903282210478 -2.02001749468 TCL: Center of mass = 11.8534360325 0.903560210603 -2.02028853343 TCL: Center of mass = 11.8563811642 0.903831314841 -2.02055799089 TCL: Center of mass = 11.8593177618 0.904112426556 -2.02082664245 TCL: Center of mass = 11.8622429194 0.904391686395 -2.02109880879 TCL: Center of mass = 11.8651695453 0.904676143922 -2.021372238 TCL: Center of mass = 11.8680968071 0.904963036266 -2.02164252135 TCL: Center of mass = 11.8710308767 0.905245946528 -2.0219226774 TCL: Center of mass = 11.8739668099 0.905530629705 -2.0222030853 TCL: Center of mass = 11.8769008515 0.905812527864 -2.02247170794 TIMING: 4900 CPU: 407.927, 0.0835373/step Wall: 499.516, 0.102447/step, 0.429707 hours remaining, 20574 kB of memory in use. ENERGY: 4900 411.8302 696.6972 422.3481 45.7505 -2788.7891 -231.4727 0.0000 0.0000 1105.1144 -338.5214 301.1746 -330.1966 -329.4576 307.5654 -75.0246 162.1937 64000.0000 276.7088 269.6985 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 = 11.8798435996 0.906077993835 -2.02273510981 TCL: Center of mass = 11.8827788688 0.906347401204 -2.02300049547 TCL: Center of mass = 11.8857134103 0.906619841516 -2.02326924235 TCL: Center of mass = 11.8886473797 0.906894094955 -2.02352506377 TCL: Center of mass = 11.891595218 0.907172788768 -2.02379807233 TCL: Center of mass = 11.8945559004 0.907453689333 -2.02406254647 TCL: Center of mass = 11.8975026572 0.907727941534 -2.02433454835 TCL: Center of mass = 11.9004536831 0.907998933965 -2.02460368157 TCL: Center of mass = 11.9034097535 0.908255270064 -2.02487847758 TCL: Center of mass = 11.9063612988 0.908522873909 -2.02516361036 TCL: Center of mass = 11.9093053272 0.908787640505 -2.02545410781 TCL: Center of mass = 11.9122606593 0.909054364841 -2.02574993443 TCL: Center of mass = 11.91521283 0.909326804286 -2.02604740768 TCL: Center of mass = 11.9181689437 0.909607250507 -2.02633619075 TCL: Center of mass = 11.9211391797 0.909888646827 -2.02662553495 TCL: Center of mass = 11.9241103779 0.910173094489 -2.0269208375 TCL: Center of mass = 11.9270821395 0.910458311509 -2.02721981277 TCL: Center of mass = 11.930062991 0.910736661766 -2.02752082688 TCL: Center of mass = 11.9330381197 0.911009953469 -2.02782356655 TCL: Center of mass = 11.9360160929 0.911281918929 -2.02813522899 TCL: Center of mass = 11.9389933421 0.911544207479 -2.02844202391 TCL: Center of mass = 11.9419744973 0.911788108052 -2.0287569242 TCL: Center of mass = 11.944955121 0.912055153415 -2.02906814214 TCL: Center of mass = 11.9479254913 0.912313157385 -2.02937102639 TCL: Center of mass = 11.950890384 0.912558605354 -2.02966082067 TCL: Center of mass = 11.9538500572 0.912808309311 -2.02995891043 TCL: Center of mass = 11.9568018629 0.913064978023 -2.03026529351 TCL: Center of mass = 11.959752664 0.913325107048 -2.03056733653 TCL: Center of mass = 11.9627151292 0.913597496619 -2.03085905101 TCL: Center of mass = 11.9656881752 0.913874359652 -2.03114589483 TCL: Center of mass = 11.9686660604 0.914147420979 -2.03143479138 TCL: Center of mass = 11.971640634 0.914414837361 -2.03172370826 TCL: Center of mass = 11.9746098066 0.914681367298 -2.03201402182 TCL: Center of mass = 11.9775905779 0.914940478128 -2.03230155962 TCL: Center of mass = 11.9805778573 0.915205172458 -2.0325896428 TCL: Center of mass = 11.9835762998 0.915472313442 -2.03287494117 TCL: Center of mass = 11.9865631361 0.915748471344 -2.03315478453 TCL: Center of mass = 11.9895504337 0.916023773025 -2.03342875184 TCL: Center of mass = 11.9925385247 0.916308040406 -2.0337279559 TCL: Center of mass = 11.9955313016 0.916590235421 -2.0340332481 TCL: Center of mass = 11.9985247694 0.916860222799 -2.03433755368 TCL: Center of mass = 12.0015145136 0.91712857411 -2.0346537564 TCL: Center of mass = 12.0045068144 0.917390447784 -2.0349837288 TCL: Center of mass = 12.0075006319 0.917644999588 -2.03531499934 TCL: Center of mass = 12.0104887429 0.917891360127 -2.03565460504 TCL: Center of mass = 12.0134756993 0.918120727693 -2.0359925253 TCL: Center of mass = 12.0164608599 0.918359123144 -2.03632744175 TCL: Center of mass = 12.0194454365 0.918599094771 -2.03666681252 TCL: Center of mass = 12.0224210793 0.918825415127 -2.03700076166 TCL: Center of mass = 12.0254022162 0.919059336359 -2.03733010006 TCL: Center of mass = 12.0283769277 0.919299205467 -2.03766538607 TCL: Center of mass = 12.0313528201 0.919532278209 -2.03800911096 TCL: Center of mass = 12.0343352109 0.919756832252 -2.03834922457 TCL: Center of mass = 12.0373168678 0.919983323599 -2.03867851418 TCL: Center of mass = 12.0403105681 0.920211315204 -2.03900243649 TCL: Center of mass = 12.0433057081 0.920443244096 -2.03932808935 TCL: Center of mass = 12.0463081519 0.920669304969 -2.03964859298 TCL: Center of mass = 12.0493150099 0.920886916497 -2.03995488029 TCL: Center of mass = 12.0523329021 0.921106324163 -2.04026783802 TCL: Center of mass = 12.0553359739 0.921335282216 -2.04058820061 TCL: Center of mass = 12.0583530466 0.921558294366 -2.04090634247 TCL: Center of mass = 12.0613654193 0.921788771248 -2.04123123695 TCL: Center of mass = 12.0643800602 0.922027059348 -2.04155670995 TCL: Center of mass = 12.06738159 0.922253842322 -2.04187422844 TCL: Center of mass = 12.070391405 0.922480219562 -2.04218915797 TCL: Center of mass = 12.0734021532 0.922691257808 -2.04251042156 TCL: Center of mass = 12.0764092455 0.92290977898 -2.04284285027 TCL: Center of mass = 12.0794341094 0.92312390453 -2.04316245891 TCL: Center of mass = 12.0824574032 0.923339836617 -2.04347489572 TCL: Center of mass = 12.0854898567 0.923558514843 -2.0437864108 TCL: Center of mass = 12.0885302183 0.923780618425 -2.04409473005 TCL: Center of mass = 12.0915693348 0.924002950593 -2.04440945891 TCL: Center of mass = 12.0945988801 0.92421767369 -2.04471227659 TCL: Center of mass = 12.0976232784 0.924435403322 -2.0450146456 TCL: Center of mass = 12.1006487233 0.924647482393 -2.04531431566 TCL: Center of mass = 12.103670696 0.924858534897 -2.04562313074 TCL: Center of mass = 12.1067006358 0.925069288477 -2.04592638488 TCL: Center of mass = 12.1097323727 0.925285421452 -2.04623268946 TCL: Center of mass = 12.1127694045 0.925490549382 -2.04652972605 TCL: Center of mass = 12.1158047642 0.925704632582 -2.046829521 TCL: Center of mass = 12.1188363935 0.925913869176 -2.04712682452 TCL: Center of mass = 12.1218631149 0.92611746984 -2.04742882396 TCL: Center of mass = 12.1248967596 0.926316298888 -2.04773726958 TCL: Center of mass = 12.1279302307 0.926515388013 -2.04803232185 TCL: Center of mass = 12.1309685846 0.926710159581 -2.04833096701 TCL: Center of mass = 12.1340053068 0.926891749339 -2.0486262635 TCL: Center of mass = 12.1370487305 0.927093649226 -2.04892917554 TCL: Center of mass = 12.1400849103 0.9272841164 -2.04923054551 TCL: Center of mass = 12.1431128642 0.92746575589 -2.04953231231 TCL: Center of mass = 12.1461369613 0.927649754106 -2.04984058985 TCL: Center of mass = 12.1491618769 0.927840548569 -2.05015064916 TCL: Center of mass = 12.1521856217 0.928041299968 -2.05045438938 TCL: Center of mass = 12.1552001487 0.928244611249 -2.05076140706 TCL: Center of mass = 12.1582198069 0.928443239027 -2.05106793412 TCL: Center of mass = 12.1612340957 0.928649281509 -2.05137460173 TCL: Center of mass = 12.1642375941 0.928857991551 -2.05167745577 TCL: Center of mass = 12.1672423361 0.929077007664 -2.05198177405 TCL: Center of mass = 12.1702515092 0.929291869468 -2.05228413662 TCL: Center of mass = 12.1732586228 0.929512447711 -2.05257095765 TCL: Center of mass = 12.1762679083 0.929733293774 -2.05286019439 TIMING: 5000 CPU: 416.313, 0.0838573/step Wall: 545.087, 0.455707/step, 1.89878 hours remaining, 20676 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 406.1929 668.9733 419.1749 47.6667 -2800.6287 -216.3822 0.0000 0.0000 1134.3852 -340.6178 309.1517 -332.6433 -330.5437 304.7146 377.7000 359.8425 64000.0000 368.7940 371.0100 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 = 12.1792794432 0.929949109678 -2.05313781326 TCL: Center of mass = 12.1822896388 0.930152049094 -2.05341546984 TCL: Center of mass = 12.1852979686 0.930359862397 -2.05369422419 TCL: Center of mass = 12.1882915951 0.930567341999 -2.05397096547 TCL: Center of mass = 12.1912848763 0.930766886403 -2.0542596432 TCL: Center of mass = 12.1942781062 0.930975504955 -2.05455275368 TCL: Center of mass = 12.1972662919 0.931185419672 -2.05485179657 TCL: Center of mass = 12.2002540327 0.931391712473 -2.05515341005 TCL: Center of mass = 12.2032419517 0.931581823759 -2.05544551983 TCL: Center of mass = 12.2062290114 0.931771201686 -2.05574205292 TCL: Center of mass = 12.2092171643 0.931966699397 -2.05604568047 TCL: Center of mass = 12.2122040634 0.932154658498 -2.05633787161 TCL: Center of mass = 12.2152022619 0.932343281776 -2.05663234809 TCL: Center of mass = 12.2182061003 0.932525974492 -2.05692615336 TCL: Center of mass = 12.2212062244 0.932718553026 -2.05720362293 TCL: Center of mass = 12.2242049373 0.932900946934 -2.05747656856 TCL: Center of mass = 12.2272100329 0.933089590938 -2.05774425586 TCL: Center of mass = 12.2302144004 0.933274805074 -2.05802916816 TCL: Center of mass = 12.2332189508 0.933453842726 -2.05832468169 TCL: Center of mass = 12.2362358455 0.933631279878 -2.05860698966 TCL: Center of mass = 12.2392532586 0.9338129639 -2.05889247691 TCL: Center of mass = 12.2422695958 0.933993132377 -2.05916846344 TCL: Center of mass = 12.2452873157 0.934183748035 -2.05945872936 TCL: Center of mass = 12.2483006437 0.934384252691 -2.05974207521 TCL: Center of mass = 12.2513253586 0.934576635857 -2.06004477144 TCL: Center of mass = 12.2543560216 0.934769923043 -2.0603318865 TCL: Center of mass = 12.2573851797 0.934960918476 -2.06061983486 TCL: Center of mass = 12.2604251038 0.935161509364 -2.06090004042 TCL: Center of mass = 12.2634755291 0.935365578589 -2.0611860341 TCL: Center of mass = 12.2665254758 0.93557290864 -2.06146197734 TCL: Center of mass = 12.2695745915 0.935768463096 -2.06174225239 TCL: Center of mass = 12.2726255377 0.935962969929 -2.06202473207 TCL: Center of mass = 12.2756824898 0.936159523058 -2.06229067248 TCL: Center of mass = 12.2787304254 0.936357153378 -2.06255368167 TCL: Center of mass = 12.2817864262 0.936551204574 -2.06281759459 TCL: Center of mass = 12.2848311171 0.936753019035 -2.0630786712 TCL: Center of mass = 12.2878846933 0.936963818455 -2.06334025971 TCL: Center of mass = 12.2909373679 0.937174648664 -2.06359751233 TCL: Center of mass = 12.2939875882 0.937383695813 -2.06384794193 TCL: Center of mass = 12.2970306999 0.937597775224 -2.0640945792 TCL: Center of mass = 12.3000819006 0.937818861125 -2.06434620935 TCL: Center of mass = 12.3031369051 0.938045128681 -2.06460061259 TCL: Center of mass = 12.3062025426 0.93827108191 -2.06486360505 TCL: Center of mass = 12.3092649723 0.938494401966 -2.06511359664 TCL: Center of mass = 12.3123340257 0.938724400588 -2.06534888646 TCL: Center of mass = 12.3153965676 0.938960399063 -2.06558088356 TCL: Center of mass = 12.3184484923 0.93919403002 -2.06581230496 TCL: Center of mass = 12.3214839208 0.939429212594 -2.06604727563 TCL: Center of mass = 12.3245102462 0.939669987048 -2.06627299803 TCL: Center of mass = 12.3275332219 0.939903381557 -2.06649245005 TCL: Center of mass = 12.3305590042 0.940136390508 -2.06671076185 TCL: Center of mass = 12.3335759348 0.940379055328 -2.06691898349 TCL: Center of mass = 12.3365968572 0.940608674823 -2.06713882644 TCL: Center of mass = 12.3396214381 0.940854753344 -2.06735751579 TCL: Center of mass = 12.3426511945 0.94110602891 -2.06757771024 TCL: Center of mass = 12.3456948805 0.941353255093 -2.0678033144 TCL: Center of mass = 12.3487315231 0.941589690887 -2.06802969264 TCL: Center of mass = 12.351768901 0.94182523037 -2.06825440451 TCL: Center of mass = 12.3548096866 0.94206101586 -2.06848254428 TCL: Center of mass = 12.3578535678 0.942295746272 -2.06870858578 TCL: Center of mass = 12.3609041837 0.942515379483 -2.06893163125 TCL: Center of mass = 12.363950142 0.942742667813 -2.06916026734 TCL: Center of mass = 12.3670008986 0.942957581235 -2.0693950973 TCL: Center of mass = 12.3700567985 0.943173920002 -2.06962394805 TCL: Center of mass = 12.3731160704 0.943386081293 -2.06984557848 TCL: Center of mass = 12.376182547 0.943606730981 -2.07006637545 TCL: Center of mass = 12.3792436772 0.943822643315 -2.0702831665 TCL: Center of mass = 12.3823122321 0.944036256036 -2.07049638493 TCL: Center of mass = 12.3853760287 0.944256708291 -2.07071797791 TCL: Center of mass = 12.3884357111 0.944481404914 -2.07094581272 TCL: Center of mass = 12.3915035293 0.944715321194 -2.07117134746 TCL: Center of mass = 12.3945782358 0.944945031053 -2.07139570069 TCL: Center of mass = 12.3976711981 0.945177094286 -2.07162312673 TCL: Center of mass = 12.4007710263 0.945420717627 -2.0718556939 TCL: Center of mass = 12.4038829242 0.945667919615 -2.07208498051 TCL: Center of mass = 12.4069944844 0.945893001182 -2.0723088978 TCL: Center of mass = 12.4101047499 0.946127501466 -2.07252565784 TCL: Center of mass = 12.4131910821 0.94636282312 -2.07273132804 TCL: Center of mass = 12.416272901 0.946581329006 -2.072906661 TCL: Center of mass = 12.4193518541 0.946796137907 -2.07306762363 TCL: Center of mass = 12.4224309469 0.947025843194 -2.07322464099 TCL: Center of mass = 12.4255224895 0.947246145536 -2.07338330841 TCL: Center of mass = 12.4286259679 0.947458730093 -2.07354665797 TCL: Center of mass = 12.4317283534 0.947685014023 -2.07370500565 TCL: Center of mass = 12.4348388246 0.947888243067 -2.07385208106 TCL: Center of mass = 12.4379432286 0.948088833997 -2.07400728061 TCL: Center of mass = 12.4410424518 0.94828618471 -2.07416786292 TCL: Center of mass = 12.4441312135 0.94849295188 -2.07432930021 TCL: Center of mass = 12.4472261396 0.948698371566 -2.07449313606 TCL: Center of mass = 12.4503213163 0.948912619954 -2.074660238 TCL: Center of mass = 12.4534108784 0.94911831752 -2.07482918608 TCL: Center of mass = 12.4565046807 0.949327035095 -2.07499900793 TCL: Center of mass = 12.4596024294 0.949523023713 -2.07517698428 TCL: Center of mass = 12.4627045061 0.949705545288 -2.0753525817 TCL: Center of mass = 12.4658026001 0.949888415447 -2.07552575845 TCL: Center of mass = 12.4688975812 0.950073672147 -2.07568592909 TCL: Center of mass = 12.4719853783 0.950267836061 -2.07585006221 TCL: Center of mass = 12.4750731096 0.950464464036 -2.07601193363 TCL: Center of mass = 12.478149807 0.950657886614 -2.07617187304 TCL: Center of mass = 12.4812279597 0.950844954153 -2.0763355733 TIMING: 5100 CPU: 424.899, 0.0858669/step Wall: 520.117, -0.249699/step, -1.03348 hours remaining, 20680 kB of memory in use. ENERGY: 5100 391.3478 693.3497 437.5011 43.8062 -2799.6146 -238.5422 0.0000 0.0000 1139.3549 -332.7971 310.5061 -324.3916 -324.2410 305.3989 597.8481 309.9727 64000.0000 136.3203 138.8838 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 = 12.4843074786 0.951027032385 -2.07649579994 TCL: Center of mass = 12.4873858918 0.951201955613 -2.07666103722 TCL: Center of mass = 12.4904592004 0.951373703004 -2.07681963768 TCL: Center of mass = 12.4935308339 0.951554811034 -2.07698903112 TCL: Center of mass = 12.4966126439 0.95174552 -2.07716337748 TCL: Center of mass = 12.4996868476 0.951942856486 -2.0773382442 TCL: Center of mass = 12.5027717545 0.952147455735 -2.07750652373 TCL: Center of mass = 12.5058601674 0.952348356566 -2.07767996853 TCL: Center of mass = 12.5089532772 0.952540762852 -2.07785650703 TCL: Center of mass = 12.5120395264 0.952725061337 -2.07802406129 TCL: Center of mass = 12.5151272365 0.95290257929 -2.07817344765 TCL: Center of mass = 12.5182111867 0.95307535734 -2.07831866789 TCL: Center of mass = 12.5212980613 0.953248744336 -2.07847352946 TCL: Center of mass = 12.5243926129 0.953428104499 -2.07862937574 TCL: Center of mass = 12.5274934292 0.95361347051 -2.07878792973 TCL: Center of mass = 12.5305981522 0.953798184882 -2.07894282505 TCL: Center of mass = 12.533705086 0.95397406865 -2.07909364717 TCL: Center of mass = 12.5368206611 0.954137107038 -2.07925297361 TCL: Center of mass = 12.5399339277 0.954305162833 -2.07940843937 TCL: Center of mass = 12.543053815 0.954476868021 -2.07955735896 TCL: Center of mass = 12.5461703183 0.954651438699 -2.07971114243 TCL: Center of mass = 12.5492895437 0.954821475697 -2.07986504686 TCL: Center of mass = 12.5524082482 0.954990402065 -2.08001371782 TCL: Center of mass = 12.5555212627 0.955159249439 -2.08015642359 TCL: Center of mass = 12.5586244696 0.955314049664 -2.0803069868 TCL: Center of mass = 12.5617203401 0.95546547575 -2.08045919393 TCL: Center of mass = 12.5648121845 0.95561498049 -2.08061257222 TCL: Center of mass = 12.567904439 0.955755457675 -2.08076519936 TCL: Center of mass = 12.5709865215 0.955899788445 -2.08091016891 TCL: Center of mass = 12.5740564243 0.956044262985 -2.08106088276 TCL: Center of mass = 12.5771156629 0.956192633353 -2.0811866212 TCL: Center of mass = 12.5801824823 0.956337369591 -2.08130889609 TCL: Center of mass = 12.5832498201 0.956474064664 -2.08142602752 TCL: Center of mass = 12.5863143352 0.956610469535 -2.08154761341 TCL: Center of mass = 12.5893969497 0.956742798176 -2.08167022366 TCL: Center of mass = 12.5924809663 0.956866121807 -2.0818007797 TCL: Center of mass = 12.5955740588 0.956990124568 -2.08192349457 TCL: Center of mass = 12.5986629346 0.957123060042 -2.08204170837 TCL: Center of mass = 12.6017567142 0.957262092341 -2.0821668779 TCL: Center of mass = 12.6048489324 0.957403178865 -2.08229145099 TCL: Center of mass = 12.6079465823 0.9575502124 -2.08240826273 TCL: Center of mass = 12.611050599 0.957693420237 -2.08253261667 TCL: Center of mass = 12.614155205 0.957838843834 -2.08265276244 TCL: Center of mass = 12.6172613118 0.957998176942 -2.08276969363 TCL: Center of mass = 12.6203727958 0.958168433014 -2.08288483688 TCL: Center of mass = 12.6234739839 0.958338975832 -2.08300337297 TCL: Center of mass = 12.6265706246 0.958505035283 -2.08312443711 TCL: Center of mass = 12.6296620554 0.958672127669 -2.08323758182 TCL: Center of mass = 12.6327457066 0.958844886228 -2.08336334261 TCL: Center of mass = 12.6358224147 0.959028452126 -2.08348923923 TCL: Center of mass = 12.6389050159 0.959221298806 -2.08362210097 TCL: Center of mass = 12.6419831017 0.959408286615 -2.08375906818 TCL: Center of mass = 12.6450578523 0.959587256046 -2.08388755136 TCL: Center of mass = 12.6481342791 0.959787724232 -2.08401487844 TCL: Center of mass = 12.6512104892 0.959991371766 -2.08416275082 TCL: Center of mass = 12.6542896517 0.960199454514 -2.0843120308 TCL: Center of mass = 12.6573718062 0.960407733383 -2.08447375434 TCL: Center of mass = 12.660459596 0.960608690754 -2.08462857008 TCL: Center of mass = 12.6635394466 0.960813493073 -2.08476103487 TCL: Center of mass = 12.6666295552 0.961017729674 -2.08488759058 TCL: Center of mass = 12.6697237594 0.961231643815 -2.08501718682 TCL: Center of mass = 12.6728200239 0.961444384268 -2.08514399278 TCL: Center of mass = 12.6759191914 0.961664705825 -2.08526302007 TCL: Center of mass = 12.6790265873 0.961870367939 -2.08539362748 TCL: Center of mass = 12.6821319155 0.96208056989 -2.0855150104 TCL: Center of mass = 12.6852435054 0.962292044212 -2.08564363647 TCL: Center of mass = 12.688362287 0.962496906218 -2.08577003129 TCL: Center of mass = 12.691470326 0.96270787717 -2.08590071115 TCL: Center of mass = 12.6945794061 0.962906339513 -2.08602706394 TCL: Center of mass = 12.6976895184 0.963114594798 -2.08615253907 TCL: Center of mass = 12.7007930039 0.963327782739 -2.08627710466 TCL: Center of mass = 12.7038861499 0.963555328359 -2.08639736261 TCL: Center of mass = 12.7069682066 0.963786416862 -2.08652413433 TCL: Center of mass = 12.710061723 0.964027030839 -2.08664646414 TCL: Center of mass = 12.7131434819 0.964276954349 -2.08676451426 TCL: Center of mass = 12.7162294401 0.964531107175 -2.08688444005 TCL: Center of mass = 12.7193065543 0.964776617517 -2.08700882122 TCL: Center of mass = 12.722395693 0.965033628094 -2.0871288768 TCL: Center of mass = 12.7254792513 0.965298940712 -2.08724598782 TCL: Center of mass = 12.7285637118 0.965569495175 -2.08736949786 TCL: Center of mass = 12.7316460321 0.965834890051 -2.08749443671 TCL: Center of mass = 12.7347277808 0.966097347038 -2.08763031222 TCL: Center of mass = 12.7378098179 0.966351653117 -2.08776968007 TCL: Center of mass = 12.7408972164 0.966603340095 -2.08789466256 TCL: Center of mass = 12.7439926875 0.966856295189 -2.08802145998 TCL: Center of mass = 12.7470959465 0.967123392521 -2.08814361569 TCL: Center of mass = 12.7501905671 0.967389858718 -2.08826451386 TCL: Center of mass = 12.7532897077 0.96765993736 -2.08839503529 TCL: Center of mass = 12.7563864349 0.967924769998 -2.08853121705 TCL: Center of mass = 12.7594812374 0.968185260339 -2.08867643121 TCL: Center of mass = 12.7625913889 0.968443941085 -2.08880248516 TCL: Center of mass = 12.7656959426 0.96870291459 -2.08893938741 TCL: Center of mass = 12.7687968379 0.968958297749 -2.08907977537 TCL: Center of mass = 12.7719162076 0.969214273561 -2.08922321051 TCL: Center of mass = 12.7750428182 0.969473886568 -2.08936395518 TCL: Center of mass = 12.7781764887 0.969718876668 -2.08950282022 TCL: Center of mass = 12.7813107971 0.96996489588 -2.08963966829 TCL: Center of mass = 12.784458681 0.970213282143 -2.08977487434 TCL: Center of mass = 12.7876151521 0.970460810011 -2.08992785319 TCL: Center of mass = 12.790772105 0.970703138064 -2.09006179051 TIMING: 5200 CPU: 433.291, 0.0839172/step Wall: 530.409, 0.102917/step, 0.423101 hours remaining, 20706 kB of memory in use. ENERGY: 5200 388.5376 678.6935 428.3757 42.0886 -2818.0505 -203.4913 0.0000 0.0000 1157.6570 -326.1894 315.4939 -317.6569 -317.3818 306.1405 1252.3797 976.2701 64000.0000 506.6513 503.8365 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 = 12.7939332009 0.970947982325 -2.09019455247 TCL: Center of mass = 12.7970946547 0.971196410408 -2.09032350657 TCL: Center of mass = 12.8002517784 0.971438991075 -2.09044877746 TCL: Center of mass = 12.8034242479 0.971670483302 -2.09056063285 TCL: Center of mass = 12.8065996139 0.971897553742 -2.09066966172 TCL: Center of mass = 12.8097724405 0.972130300718 -2.09077399996 TCL: Center of mass = 12.8129600864 0.972355255584 -2.09088424708 TCL: Center of mass = 12.8161361298 0.972567618483 -2.09099801808 TCL: Center of mass = 12.819315973 0.972774968757 -2.09111053448 TCL: Center of mass = 12.8224861418 0.972994706494 -2.09123051566 TCL: Center of mass = 12.8256496114 0.973211368101 -2.09136015752 TCL: Center of mass = 12.8288230938 0.973427274181 -2.09148252739 TCL: Center of mass = 12.8320012388 0.973648843175 -2.09161139141 TCL: Center of mass = 12.8351650954 0.973880133425 -2.09173400515 TCL: Center of mass = 12.8383284407 0.974108919562 -2.09184653685 TCL: Center of mass = 12.8414946155 0.974333550382 -2.0919519194 TCL: Center of mass = 12.8446789437 0.974563020981 -2.09205109661 TCL: Center of mass = 12.8478492174 0.974792613246 -2.09215415286 TCL: Center of mass = 12.8510188626 0.975016921947 -2.09225676331 TCL: Center of mass = 12.8541752604 0.975240174662 -2.09235615197 TCL: Center of mass = 12.8573293385 0.975463718128 -2.09246408685 TCL: Center of mass = 12.8604745265 0.975679204019 -2.09257010044 TCL: Center of mass = 12.863619284 0.975886861094 -2.09268364792 TCL: Center of mass = 12.866770332 0.976099395217 -2.0927976803 TCL: Center of mass = 12.8699245239 0.976317838036 -2.09290076533 TCL: Center of mass = 12.8730829396 0.976527231641 -2.09300329263 TCL: Center of mass = 12.8762488569 0.976726950979 -2.09310235424 TCL: Center of mass = 12.8794066736 0.976926375442 -2.0931932002 TCL: Center of mass = 12.8825668001 0.977117156787 -2.09328740786 TCL: Center of mass = 12.8857262817 0.977298607469 -2.09337578127 TCL: Center of mass = 12.8888863765 0.977466301189 -2.09347327543 TCL: Center of mass = 12.8920490542 0.977639602674 -2.09356409516 TCL: Center of mass = 12.8951963489 0.977806894834 -2.09365342434 TCL: Center of mass = 12.8983332159 0.977976960274 -2.0937509939 TCL: Center of mass = 12.9014717956 0.978161645297 -2.09384853869 TCL: Center of mass = 12.9046112058 0.97834751463 -2.09396413566 TCL: Center of mass = 12.907758911 0.978542156162 -2.09407437571 TCL: Center of mass = 12.9109001421 0.978735564635 -2.09417347802 TCL: Center of mass = 12.9140416097 0.978937439341 -2.09427847336 TCL: Center of mass = 12.9171918787 0.979155389122 -2.09438482095 TCL: Center of mass = 12.9203305351 0.97938319831 -2.09448462726 TCL: Center of mass = 12.9234732258 0.979612846724 -2.0945863411 TCL: Center of mass = 12.9266230828 0.979848378335 -2.09468807418 TCL: Center of mass = 12.9297672995 0.980088601361 -2.09478705972 TCL: Center of mass = 12.9329088358 0.9803279236 -2.09488219948 TCL: Center of mass = 12.9360665291 0.980563500463 -2.09498468117 TCL: Center of mass = 12.9392094602 0.980798972488 -2.09508762571 TCL: Center of mass = 12.9423454069 0.981039186201 -2.09518658057 TCL: Center of mass = 12.9454938122 0.98127613347 -2.09528552547 TCL: Center of mass = 12.9486295338 0.98152288542 -2.09537561567 TCL: Center of mass = 12.9517717409 0.981777576281 -2.09546419202 TCL: Center of mass = 12.9549088482 0.982029908134 -2.09557006362 TCL: Center of mass = 12.9580409353 0.982284549559 -2.09567846077 TCL: Center of mass = 12.9611773069 0.982553833683 -2.09578537017 TCL: Center of mass = 12.9643068765 0.982820266435 -2.09588915517 TCL: Center of mass = 12.9674309741 0.983089062785 -2.0959919027 TCL: Center of mass = 12.9705593432 0.983358862593 -2.09609520602 TCL: Center of mass = 12.9736889991 0.983633584026 -2.09620350289 TCL: Center of mass = 12.9768248273 0.983916970596 -2.09630691944 TCL: Center of mass = 12.9799665679 0.984197636098 -2.09640425876 TCL: Center of mass = 12.9831056752 0.984478453772 -2.09650114061 TCL: Center of mass = 12.9862407332 0.984752848898 -2.09658517284 TCL: Center of mass = 12.9893724808 0.985013467012 -2.09667079751 TCL: Center of mass = 12.9925090312 0.985263878358 -2.09674727365 TCL: Center of mass = 12.9956513726 0.98551014372 -2.09682426087 TCL: Center of mass = 12.9987898305 0.985771380764 -2.09688837413 TCL: Center of mass = 13.0019115444 0.986035960811 -2.09695559071 TCL: Center of mass = 13.0050379595 0.986291403491 -2.09703163304 TCL: Center of mass = 13.0081697488 0.986557588827 -2.09710532251 TCL: Center of mass = 13.0113038365 0.986821919368 -2.097180968 TCL: Center of mass = 13.0144336841 0.987088867505 -2.09724815099 TCL: Center of mass = 13.0175632099 0.987362245521 -2.09731351635 TCL: Center of mass = 13.0206959803 0.987630520212 -2.09738553011 TCL: Center of mass = 13.0238339566 0.987903929849 -2.09745371461 TCL: Center of mass = 13.0269777419 0.988182440726 -2.09751266255 TCL: Center of mass = 13.0301235919 0.988465079289 -2.09758146646 TCL: Center of mass = 13.0332781979 0.988746328237 -2.09764958017 TCL: Center of mass = 13.0364422615 0.989023343067 -2.09772152032 TCL: Center of mass = 13.0396037807 0.989293421841 -2.09779535438 TCL: Center of mass = 13.0427731731 0.989564324595 -2.09786558603 TCL: Center of mass = 13.0459406863 0.989835470234 -2.09792811798 TCL: Center of mass = 13.049117643 0.99010071578 -2.09798374053 TCL: Center of mass = 13.0522921554 0.990369753213 -2.09804170648 TCL: Center of mass = 13.0554573185 0.990651424941 -2.0980900858 TCL: Center of mass = 13.0586240741 0.990929281957 -2.09812979202 TCL: Center of mass = 13.0617998055 0.99121840764 -2.09817064489 TCL: Center of mass = 13.0649620571 0.991510583121 -2.09822555793 TCL: Center of mass = 13.0681193143 0.991793492262 -2.0982934167 TCL: Center of mass = 13.071287026 0.99207254896 -2.09834980303 TCL: Center of mass = 13.0744582352 0.992343746536 -2.09840101305 TCL: Center of mass = 13.0776284192 0.992615960542 -2.09844191806 TCL: Center of mass = 13.0807949532 0.992888555298 -2.0984801968 TCL: Center of mass = 13.0839599825 0.99316396262 -2.09851725939 TCL: Center of mass = 13.0871352928 0.99344448045 -2.09855963513 TCL: Center of mass = 13.0903047574 0.993728524787 -2.09861583935 TCL: Center of mass = 13.0934675928 0.994003469582 -2.09867395199 TCL: Center of mass = 13.0966428412 0.994270980054 -2.09873283172 TCL: Center of mass = 13.0998183876 0.994538669459 -2.09880440753 TCL: Center of mass = 13.1029986004 0.994823755477 -2.09887409015 TCL: Center of mass = 13.1061742994 0.995103731215 -2.0989470001 TIMING: 5300 CPU: 441.753, 0.0846172/step Wall: 540.783, 0.103748/step, 0.423637 hours remaining, 20748 kB of memory in use. ENERGY: 5300 404.4891 699.7815 416.5846 49.6247 -2824.9178 -199.2895 0.0000 0.0000 1148.0454 -305.6819 312.8745 -296.5101 -298.7966 311.4195 1395.5979 967.1111 64000.0000 334.9690 339.2138 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 = 13.1093450513 0.995383713229 -2.09902692319 TCL: Center of mass = 13.1125298012 0.995652386645 -2.09910980889 TCL: Center of mass = 13.1157301804 0.995913130429 -2.09918520764 TCL: Center of mass = 13.118931058 0.996175039537 -2.09925594113 TCL: Center of mass = 13.1221370122 0.996432023687 -2.09932729847 TCL: Center of mass = 13.1253420644 0.996693006891 -2.09939574565 TCL: Center of mass = 13.1285596956 0.996944072976 -2.09945900109 TCL: Center of mass = 13.1317742783 0.997188900179 -2.09953506957 TCL: Center of mass = 13.1349928882 0.997430886986 -2.09961917956 TCL: Center of mass = 13.1382137487 0.997663640393 -2.09969618842 TCL: Center of mass = 13.141440232 0.997889300987 -2.09977977643 TCL: Center of mass = 13.1446691643 0.998107953575 -2.09986684557 TCL: Center of mass = 13.1478963795 0.998335888632 -2.09994665913 TCL: Center of mass = 13.1511183001 0.998557428959 -2.10002545112 TCL: Center of mass = 13.154339031 0.998790647535 -2.10011756178 TCL: Center of mass = 13.1575622829 0.999026127076 -2.10021195988 TCL: Center of mass = 13.1607926491 0.999263488668 -2.10031380127 TCL: Center of mass = 13.1640223922 0.999505568159 -2.10039937985 TCL: Center of mass = 13.1672659193 0.999743592875 -2.10047712287 TCL: Center of mass = 13.170507217 0.999985789518 -2.1005438688 TCL: Center of mass = 13.1737472445 1.00022285731 -2.10061310484 TCL: Center of mass = 13.1769935721 1.00045653906 -2.10067804987 TCL: Center of mass = 13.1802490772 1.00069213621 -2.10073655606 TCL: Center of mass = 13.1834981898 1.00092915414 -2.1007974978 TCL: Center of mass = 13.1867303514 1.00115977265 -2.10086620339 TCL: Center of mass = 13.1899653265 1.00137943842 -2.10093573236 TCL: Center of mass = 13.1932024777 1.00160672352 -2.10101236005 TCL: Center of mass = 13.196451912 1.00183297425 -2.10110038053 TCL: Center of mass = 13.1997089693 1.00206279072 -2.10119511954 TCL: Center of mass = 13.2029629711 1.00228643681 -2.10127626353 TCL: Center of mass = 13.2062190796 1.00251167384 -2.10135588601 TCL: Center of mass = 13.2094783207 1.00273863682 -2.10143181079 TCL: Center of mass = 13.2127384952 1.00295722664 -2.10150485455 TCL: Center of mass = 13.2159965125 1.00317099164 -2.10158045103 TCL: Center of mass = 13.2192539288 1.0033913331 -2.10165739712 TCL: Center of mass = 13.2225115855 1.00361154044 -2.10174063178 TCL: Center of mass = 13.2257687317 1.00382676359 -2.10182167719 TCL: Center of mass = 13.2290337152 1.00403824707 -2.10190322975 TCL: Center of mass = 13.2323098657 1.00424697832 -2.101992014 TCL: Center of mass = 13.2355878752 1.0044513624 -2.10206552952 TCL: Center of mass = 13.2388485935 1.00465461632 -2.10215554087 TCL: Center of mass = 13.2421056408 1.00486186368 -2.10223928532 TCL: Center of mass = 13.2453502858 1.00506183539 -2.10231744608 TCL: Center of mass = 13.2485997961 1.00526114635 -2.10240055353 TCL: Center of mass = 13.2518559373 1.00546810827 -2.10247622006 TCL: Center of mass = 13.2551120199 1.00567013762 -2.10255894859 TCL: Center of mass = 13.2583724788 1.00588594911 -2.10264393077 TCL: Center of mass = 13.2616311782 1.00610384043 -2.10271904717 TCL: Center of mass = 13.2648970056 1.0063306559 -2.10279546172 TCL: Center of mass = 13.2681546906 1.00655536301 -2.10287067614 TCL: Center of mass = 13.2714150911 1.00678848877 -2.10295024722 TCL: Center of mass = 13.2746688011 1.00701932695 -2.1030341209 TCL: Center of mass = 13.2779203998 1.00724625094 -2.1031257265 TCL: Center of mass = 13.2811710742 1.00747826483 -2.10322462265 TCL: Center of mass = 13.2844156287 1.00772404074 -2.1033126306 TCL: Center of mass = 13.2876722197 1.00797257133 -2.10341001761 TCL: Center of mass = 13.2909173093 1.00821553895 -2.10351521738 TCL: Center of mass = 13.2941672247 1.00845316106 -2.10361612533 TCL: Center of mass = 13.2974067881 1.00868482823 -2.10371629044 TCL: Center of mass = 13.3006407501 1.00890404192 -2.10381833145 TCL: Center of mass = 13.3038741775 1.00911602437 -2.10392124125 TCL: Center of mass = 13.3070988384 1.00932381813 -2.10402609872 TCL: Center of mass = 13.3103221031 1.00953185147 -2.10412434855 TCL: Center of mass = 13.3135423317 1.00973282555 -2.10423145074 TCL: Center of mass = 13.3167672856 1.00991771886 -2.10433252841 TCL: Center of mass = 13.3199968325 1.01009584572 -2.10443902325 TCL: Center of mass = 13.3232295891 1.01026890702 -2.10454232724 TCL: Center of mass = 13.3264515065 1.01043558759 -2.10464061959 TCL: Center of mass = 13.3296711964 1.01059693416 -2.10474206692 TCL: Center of mass = 13.3328943703 1.01077866188 -2.10484261919 TCL: Center of mass = 13.3361204768 1.01095101843 -2.10494099693 TCL: Center of mass = 13.3393381796 1.01112800201 -2.10504353217 TCL: Center of mass = 13.3425525935 1.0112996365 -2.10514046534 TCL: Center of mass = 13.3457784448 1.01147243518 -2.10522351461 TCL: Center of mass = 13.3490063054 1.01164969602 -2.10530000501 TCL: Center of mass = 13.3522313617 1.01181207775 -2.10536392159 TCL: Center of mass = 13.3554620933 1.01197074155 -2.10541519111 TCL: Center of mass = 13.3586982191 1.01212457804 -2.10546353565 TCL: Center of mass = 13.3619321642 1.01227057571 -2.10550525116 TCL: Center of mass = 13.3651648158 1.01242475871 -2.10554361057 TCL: Center of mass = 13.3683925838 1.01257796727 -2.10558358563 TCL: Center of mass = 13.3716130998 1.01273351788 -2.10561662814 TCL: Center of mass = 13.3748336283 1.01287945648 -2.10564817354 TCL: Center of mass = 13.3780530853 1.01302385722 -2.10568967466 TCL: Center of mass = 13.3812662255 1.01317022591 -2.10573244933 TCL: Center of mass = 13.3844782602 1.01331383098 -2.1057803734 TCL: Center of mass = 13.3876736252 1.01346642456 -2.10583629326 TCL: Center of mass = 13.3908722831 1.01361943907 -2.10589416802 TCL: Center of mass = 13.3940628398 1.01377689481 -2.10595337455 TCL: Center of mass = 13.3972659944 1.01393220259 -2.10601491028 TCL: Center of mass = 13.4004823957 1.01407278297 -2.10608049318 TCL: Center of mass = 13.4036926573 1.01421177965 -2.1061523666 TCL: Center of mass = 13.4069056848 1.01433440421 -2.10623052502 TCL: Center of mass = 13.410120191 1.01445299557 -2.10631203781 TCL: Center of mass = 13.4133499874 1.01457184019 -2.10636838527 TCL: Center of mass = 13.4165695021 1.01467641661 -2.1064183161 TCL: Center of mass = 13.4197831883 1.01477237864 -2.10647360199 TCL: Center of mass = 13.4229986651 1.01485701447 -2.10652094749 TCL: Center of mass = 13.4262105571 1.01494280613 -2.10656830996 TCL: Center of mass = 13.4294225968 1.015028038 -2.10660806874 TIMING: 5400 CPU: 450.343, 0.0858969/step Wall: 586.43, 0.456464/step, 1.85121 hours remaining, 20774 kB of memory in use. ENERGY: 5400 406.5385 662.0867 421.3616 54.8938 -2791.7818 -228.1680 0.0000 0.0000 1153.4780 -321.5912 314.3550 -313.3815 -311.4356 312.8527 -230.9835 29.1963 64000.0000 410.0163 411.1712 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 = 13.4326266185 1.01512587375 -2.1066549528 TCL: Center of mass = 13.4358273074 1.01520892699 -2.10670731801 TCL: Center of mass = 13.4390285769 1.01530121722 -2.10675175498 TCL: Center of mass = 13.4422367536 1.01538910319 -2.10679985503 TCL: Center of mass = 13.4454433344 1.01548103503 -2.10683882881 TCL: Center of mass = 13.4486477117 1.0155776598 -2.10687476086 TCL: Center of mass = 13.451842237 1.01567599288 -2.10691512227 TCL: Center of mass = 13.4550414966 1.01576181509 -2.10696464186 TCL: Center of mass = 13.4582394013 1.01584142575 -2.10701022125 TCL: Center of mass = 13.4614383227 1.01590873004 -2.10705758063 TCL: Center of mass = 13.4646429126 1.01597599149 -2.10711059527 TCL: Center of mass = 13.4678539897 1.01605532081 -2.10716408996 TCL: Center of mass = 13.4710634 1.01614442108 -2.10720973791 TCL: Center of mass = 13.4742647748 1.01622865635 -2.10725378438 TCL: Center of mass = 13.4774622505 1.01631100836 -2.10728875695 TCL: Center of mass = 13.480675293 1.01639379819 -2.10732847819 TCL: Center of mass = 13.4839048381 1.01647690943 -2.10737155504 TCL: Center of mass = 13.487118528 1.01656418669 -2.10741679106 TCL: Center of mass = 13.4903178977 1.01665493014 -2.10747278594 TCL: Center of mass = 13.493511627 1.01674026506 -2.10753487885 TCL: Center of mass = 13.4967014949 1.01682528908 -2.10759752783 TCL: Center of mass = 13.4998993832 1.01691209604 -2.10766986866 TCL: Center of mass = 13.5030928979 1.01699728864 -2.10773700529 TCL: Center of mass = 13.5062864707 1.01708364191 -2.10781393804 TCL: Center of mass = 13.5094730986 1.0171761186 -2.10788956315 TCL: Center of mass = 13.5126630405 1.01726067288 -2.10795724101 TCL: Center of mass = 13.5158544656 1.01735653068 -2.10803479825 TCL: Center of mass = 13.5190501111 1.01745255515 -2.10811549514 TCL: Center of mass = 13.5222396791 1.01754386809 -2.10818369529 TCL: Center of mass = 13.5254302695 1.01762301091 -2.10825600661 TCL: Center of mass = 13.5286276056 1.01771114329 -2.10833107377 TCL: Center of mass = 13.531838816 1.01779100467 -2.10840401833 TCL: Center of mass = 13.535050021 1.01786235432 -2.1084861705 TCL: Center of mass = 13.5382690685 1.01792045825 -2.10857156418 TCL: Center of mass = 13.5414894914 1.01798325545 -2.10865195615 TCL: Center of mass = 13.5447104131 1.0180637994 -2.10873038113 TCL: Center of mass = 13.5479349079 1.01813085586 -2.10881691218 TCL: Center of mass = 13.5511624353 1.01819087734 -2.10888878085 TCL: Center of mass = 13.5543898124 1.01824752496 -2.10894639498 TCL: Center of mass = 13.5576123613 1.018293062 -2.10899831309 TCL: Center of mass = 13.5608345829 1.01834547615 -2.1090406223 TCL: Center of mass = 13.5640423704 1.01840022172 -2.10906824769 TCL: Center of mass = 13.5672410138 1.01844835328 -2.10909314554 TCL: Center of mass = 13.5704384284 1.01850436692 -2.10912096294 TCL: Center of mass = 13.5736266648 1.01856413853 -2.10914657093 TCL: Center of mass = 13.576817261 1.01862318683 -2.10916127172 TCL: Center of mass = 13.5800046298 1.01867671725 -2.10918293742 TCL: Center of mass = 13.5831949148 1.01871813877 -2.10920260359 TCL: Center of mass = 13.5863741785 1.01876259414 -2.10921349353 TCL: Center of mass = 13.5895510848 1.0188114989 -2.10923129168 TCL: Center of mass = 13.5927259754 1.01885564821 -2.10924430698 TCL: Center of mass = 13.5959096165 1.01890286222 -2.10925518971 TCL: Center of mass = 13.5990841461 1.01894961185 -2.10927425995 TCL: Center of mass = 13.6022586052 1.01899984986 -2.10930155899 TCL: Center of mass = 13.6054278396 1.01905252277 -2.10932542355 TCL: Center of mass = 13.6085986191 1.01911408653 -2.10935691428 TCL: Center of mass = 13.6117652467 1.01917514225 -2.10940027911 TCL: Center of mass = 13.6149353908 1.01922203219 -2.10945036561 TCL: Center of mass = 13.6181003135 1.01928164313 -2.10950481652 TCL: Center of mass = 13.6212543074 1.01934844429 -2.1095523346 TCL: Center of mass = 13.6244026549 1.01941342764 -2.10960334097 TCL: Center of mass = 13.627551001 1.019492456 -2.1096490088 TCL: Center of mass = 13.6306886982 1.0195717185 -2.1096922606 TCL: Center of mass = 13.6338274521 1.01964981086 -2.10973397807 TCL: Center of mass = 13.6369702916 1.0197269611 -2.10978022527 TCL: Center of mass = 13.6401053559 1.01981511341 -2.10982099267 TCL: Center of mass = 13.6432393238 1.01990386252 -2.10985944837 TCL: Center of mass = 13.6463855837 1.01999508308 -2.10990208454 TCL: Center of mass = 13.6495327127 1.0200852838 -2.10993845842 TCL: Center of mass = 13.6526842725 1.0201808099 -2.10996923008 TCL: Center of mass = 13.6558387773 1.02026407198 -2.11000469265 TCL: Center of mass = 13.6589909811 1.02035041215 -2.11003672995 TCL: Center of mass = 13.6621522341 1.02043868788 -2.11007926939 TCL: Center of mass = 13.6653136754 1.02053269664 -2.11012005136 TCL: Center of mass = 13.6684696362 1.02064304956 -2.11016915523 TCL: Center of mass = 13.6716243901 1.02074576617 -2.1102311997 TCL: Center of mass = 13.6747790389 1.02085359091 -2.11029083606 TCL: Center of mass = 13.6779373221 1.02096683724 -2.1103479784 TCL: Center of mass = 13.6810939088 1.02108102579 -2.11040307042 TCL: Center of mass = 13.684253181 1.02119722985 -2.11045751266 TCL: Center of mass = 13.687399759 1.02131387057 -2.11051565738 TCL: Center of mass = 13.6905503205 1.02143512807 -2.11058177176 TCL: Center of mass = 13.6936937684 1.02156746712 -2.11065138085 TCL: Center of mass = 13.6968391472 1.02169531156 -2.11071270047 TCL: Center of mass = 13.6999780355 1.02182270202 -2.11077135825 TCL: Center of mass = 13.703119398 1.02195097583 -2.11083596212 TCL: Center of mass = 13.706260806 1.02207908688 -2.11092024477 TCL: Center of mass = 13.7094067235 1.0222041526 -2.11099643557 TCL: Center of mass = 13.7125487483 1.02232489841 -2.1110742938 TCL: Center of mass = 13.7156747329 1.02245160168 -2.11115578871 TCL: Center of mass = 13.7187939814 1.02258397864 -2.1112303777 TCL: Center of mass = 13.7219075432 1.02272239028 -2.11129638666 TCL: Center of mass = 13.7250266925 1.02285748606 -2.11137453496 TCL: Center of mass = 13.7281491997 1.02299090692 -2.11145478722 TCL: Center of mass = 13.7312563249 1.02312416295 -2.11153178882 TCL: Center of mass = 13.7343509253 1.02325613267 -2.11160106675 TCL: Center of mass = 13.7374429399 1.02338064183 -2.11167533759 TCL: Center of mass = 13.7405407747 1.02351922444 -2.1117588569 TCL: Center of mass = 13.7436383599 1.02365948307 -2.11184278249 TCL: Center of mass = 13.7467460467 1.02380156922 -2.11193627299 TIMING: 5500 CPU: 459.065, 0.0872267/step Wall: 561.54, -0.248899/step, -1.00251 hours remaining, 20824 kB of memory in use. ENERGY: 5500 407.9611 677.0201 415.4128 43.4957 -2815.1952 -199.8349 0.0000 0.0000 1148.4633 -322.6772 312.9884 -313.5336 -315.2952 309.2547 211.0216 407.3212 64000.0000 413.5918 412.2169 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 = 13.749849826 1.02393361241 -2.11203011476 TCL: Center of mass = 13.7529502766 1.02407357336 -2.11212525606 TCL: Center of mass = 13.7560540526 1.02422033856 -2.1122279354 TCL: Center of mass = 13.7591560287 1.02435575621 -2.11233242856 TCL: Center of mass = 13.762262863 1.02448858966 -2.11243525319 TCL: Center of mass = 13.765364829 1.02461530312 -2.11253901763 TCL: Center of mass = 13.7684774147 1.02473900842 -2.11264188809 TCL: Center of mass = 13.771592564 1.02485906483 -2.1127479271 TCL: Center of mass = 13.7747043654 1.02498954462 -2.1128565796 TCL: Center of mass = 13.7778282456 1.02513371262 -2.11295268294 TCL: Center of mass = 13.7809510701 1.02528136668 -2.11306111218 TCL: Center of mass = 13.784066521 1.02543211959 -2.11316759236 TCL: Center of mass = 13.7871726678 1.02557520771 -2.11327727573 TCL: Center of mass = 13.7902859 1.02572206576 -2.11338935783 TCL: Center of mass = 13.7933923083 1.02586964187 -2.1135167377 TCL: Center of mass = 13.7964936377 1.02600541381 -2.1136443341 TCL: Center of mass = 13.7995806925 1.02614005006 -2.11375842502 TCL: Center of mass = 13.8026591401 1.02628215526 -2.11387784229 TCL: Center of mass = 13.8057328253 1.02643482727 -2.11400700511 TCL: Center of mass = 13.8088110624 1.02658504961 -2.11412524167 TCL: Center of mass = 13.8118969279 1.02673853292 -2.11424789913 TCL: Center of mass = 13.8150013595 1.02689034866 -2.11437103637 TCL: Center of mass = 13.8181173388 1.02703971655 -2.11448777981 TCL: Center of mass = 13.8212400785 1.02718583994 -2.11459810202 TCL: Center of mass = 13.8243669936 1.02732341823 -2.11471379855 TCL: Center of mass = 13.8274824334 1.02744619803 -2.11482484536 TCL: Center of mass = 13.8306038648 1.02756717232 -2.11492483674 TCL: Center of mass = 13.8337393973 1.02768573558 -2.11502431924 TCL: Center of mass = 13.8368859457 1.02780832976 -2.11512609575 TCL: Center of mass = 13.8400379085 1.02793000572 -2.11521802595 TCL: Center of mass = 13.8431927306 1.02805178795 -2.1153025314 TCL: Center of mass = 13.8463659087 1.02817131263 -2.11538147502 TCL: Center of mass = 13.8495322677 1.02828475388 -2.11546897771 TCL: Center of mass = 13.8527079534 1.02840328262 -2.11554413783 TCL: Center of mass = 13.8558836831 1.02853076012 -2.11562096286 TCL: Center of mass = 13.8590681142 1.02866949599 -2.11570092326 TCL: Center of mass = 13.8622439907 1.02881099418 -2.11578354332 TCL: Center of mass = 13.8654132715 1.02895292473 -2.11587031066 TCL: Center of mass = 13.8685960579 1.02909416923 -2.11595203981 TCL: Center of mass = 13.8717744964 1.02923807837 -2.11603859276 TCL: Center of mass = 13.8749603339 1.02937907018 -2.11612298024 TCL: Center of mass = 13.8781534201 1.02951843265 -2.11620815325 TCL: Center of mass = 13.8813414985 1.02965672912 -2.11629401858 TCL: Center of mass = 13.8845246095 1.02979526919 -2.11637541397 TCL: Center of mass = 13.8877105301 1.02992382226 -2.11645580192 TCL: Center of mass = 13.8909007986 1.03006023474 -2.11653253694 TCL: Center of mass = 13.8940967861 1.03019556209 -2.11661072302 TCL: Center of mass = 13.8972844 1.03032786487 -2.11669533467 TCL: Center of mass = 13.9004732509 1.03046114304 -2.11678141519 TCL: Center of mass = 13.9036712147 1.03058683749 -2.11687590619 TCL: Center of mass = 13.9068702397 1.0307012723 -2.11697874083 TCL: Center of mass = 13.9100610148 1.0308117137 -2.1170787323 TCL: Center of mass = 13.913253031 1.03090781099 -2.11718406903 TCL: Center of mass = 13.9164482485 1.03100129007 -2.11728011501 TCL: Center of mass = 13.9196399998 1.03109320954 -2.11737267831 TCL: Center of mass = 13.9228229426 1.0311914584 -2.11746304698 TCL: Center of mass = 13.9260039385 1.03128730422 -2.11754953352 TCL: Center of mass = 13.9291760842 1.0313827988 -2.1176402233 TCL: Center of mass = 13.932332183 1.03148081718 -2.11772727961 TCL: Center of mass = 13.9354897849 1.03157428412 -2.1178200056 TCL: Center of mass = 13.9386385606 1.03166267282 -2.11790609076 TCL: Center of mass = 13.9417974219 1.0317439012 -2.11798152636 TCL: Center of mass = 13.9449566645 1.03182627245 -2.11804553745 TCL: Center of mass = 13.9481227782 1.03191395693 -2.1181089802 TCL: Center of mass = 13.9512779761 1.03199349386 -2.11818264705 TCL: Center of mass = 13.9544308864 1.03206418499 -2.11825551941 TCL: Center of mass = 13.9575855702 1.03212178049 -2.11834201308 TCL: Center of mass = 13.9607458959 1.03218111872 -2.11841701625 TCL: Center of mass = 13.9639112619 1.0322361876 -2.11849794587 TCL: Center of mass = 13.9670636894 1.03229839201 -2.11857152737 TCL: Center of mass = 13.9702195035 1.0323608525 -2.11864756771 TCL: Center of mass = 13.973376487 1.03243657233 -2.11872675564 TCL: Center of mass = 13.9765282196 1.03251560345 -2.11881553836 TCL: Center of mass = 13.9796913904 1.03259955998 -2.11890662417 TCL: Center of mass = 13.9828524215 1.03267995975 -2.11900166351 TCL: Center of mass = 13.9860167725 1.03276423938 -2.1191140001 TCL: Center of mass = 13.9891868169 1.03284604054 -2.11922558544 TCL: Center of mass = 13.9923553525 1.03292799445 -2.11933789719 TCL: Center of mass = 13.9955199037 1.03300597927 -2.11946243023 TCL: Center of mass = 13.99868908 1.03307986633 -2.119594784 TCL: Center of mass = 14.0018512487 1.03314343267 -2.1197291724 TCL: Center of mass = 14.0050114396 1.03319908895 -2.11987658522 TCL: Center of mass = 14.0081793112 1.03326675234 -2.12002580337 TCL: Center of mass = 14.0113588508 1.03334455691 -2.1201770274 TCL: Center of mass = 14.0145430017 1.03342412654 -2.12034588342 TCL: Center of mass = 14.0177225081 1.03350226579 -2.12050262193 TCL: Center of mass = 14.020902305 1.0335891666 -2.12066146518 TCL: Center of mass = 14.0240858523 1.03367651774 -2.12081726522 TCL: Center of mass = 14.0272564361 1.03375857144 -2.12096231932 TCL: Center of mass = 14.0304191991 1.03384132723 -2.12110641425 TCL: Center of mass = 14.0335747362 1.03393257158 -2.12124048186 TCL: Center of mass = 14.0367321176 1.03400728826 -2.12138267609 TCL: Center of mass = 14.0398898668 1.03407074651 -2.12152119459 TCL: Center of mass = 14.0430490395 1.03413190288 -2.12166818195 TCL: Center of mass = 14.0462103555 1.03418154827 -2.12180996205 TCL: Center of mass = 14.049371695 1.03423162064 -2.12196736657 TCL: Center of mass = 14.0525335135 1.03427523001 -2.12212938915 TCL: Center of mass = 14.0557001304 1.03432553775 -2.12228784077 TCL: Center of mass = 14.0588753588 1.03437046087 -2.1224343021 TCL: Center of mass = 14.0620529891 1.03443143184 -2.12256823857 TIMING: 5600 CPU: 467.493, 0.0842772/step Wall: 571.878, 0.10338/step, 0.41352 hours remaining, 20892 kB of memory in use. ENERGY: 5600 397.7070 675.6413 422.3444 51.3198 -2795.1599 -215.2860 0.0000 0.0000 1142.4181 -321.0152 311.3409 -312.4755 -312.0963 311.8140 447.1980 618.2582 64000.0000 408.1354 411.2927 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 = 14.0652379944 1.03448041667 -2.12270150764 TCL: Center of mass = 14.0684282643 1.0345418273 -2.12282655854 TCL: Center of mass = 14.0716260478 1.03460311419 -2.1229521187 TCL: Center of mass = 14.0748231821 1.03466919765 -2.12307151602 TCL: Center of mass = 14.078028401 1.03472523228 -2.12319804882 TCL: Center of mass = 14.0812175098 1.03478221642 -2.12332356351 TCL: Center of mass = 14.0844239544 1.03483948292 -2.12344407286 TCL: Center of mass = 14.0876247426 1.03489951646 -2.12356216671 TCL: Center of mass = 14.0908323836 1.03496528026 -2.12367406589 TCL: Center of mass = 14.0940518173 1.03503685122 -2.12378935469 TCL: Center of mass = 14.097271113 1.03511488623 -2.12390483994 TCL: Center of mass = 14.1004838579 1.03519057079 -2.12401922516 TCL: Center of mass = 14.1037053024 1.03526296554 -2.12413320861 TCL: Center of mass = 14.1069305457 1.03533959445 -2.12424311771 TCL: Center of mass = 14.1101451897 1.03540177172 -2.12434987303 TCL: Center of mass = 14.1133571126 1.03546176615 -2.12445534482 TCL: Center of mass = 14.1165812455 1.03552216429 -2.12455128111 TCL: Center of mass = 14.1198002481 1.03557731415 -2.1246471852 TCL: Center of mass = 14.1230197621 1.03563727411 -2.12473952523 TCL: Center of mass = 14.1262334841 1.03570309099 -2.12483184733 TCL: Center of mass = 14.1294394137 1.03576381217 -2.1249240337 TCL: Center of mass = 14.1326394073 1.03581877344 -2.12502320357 TCL: Center of mass = 14.1358341371 1.03587304018 -2.12510748473 TCL: Center of mass = 14.1390286552 1.03593225782 -2.12519700198 TCL: Center of mass = 14.1422226927 1.03599709569 -2.12528814174 TCL: Center of mass = 14.1454311936 1.03606066346 -2.12538070745 TCL: Center of mass = 14.1486466931 1.03612042111 -2.12547334523 TCL: Center of mass = 14.1518575266 1.03618433093 -2.12557128248 TCL: Center of mass = 14.1550693487 1.03624369433 -2.12566457793 TCL: Center of mass = 14.1582869923 1.03630744463 -2.1257582831 TCL: Center of mass = 14.16149781 1.03636773132 -2.12586325334 TCL: Center of mass = 14.1647176772 1.0364232793 -2.12596972298 TCL: Center of mass = 14.1679408056 1.03647540436 -2.12607603915 TCL: Center of mass = 14.1711594421 1.03652842382 -2.12618329071 TCL: Center of mass = 14.174375696 1.03658979884 -2.12629572456 TCL: Center of mass = 14.1775896272 1.03664014659 -2.12640386495 TCL: Center of mass = 14.1808147099 1.0366909897 -2.12651670713 TCL: Center of mass = 14.1840287942 1.03674583994 -2.12662102282 TCL: Center of mass = 14.1872355713 1.03679917337 -2.12671825589 TCL: Center of mass = 14.1904438587 1.03685742797 -2.12682947987 TCL: Center of mass = 14.1936537802 1.03692867049 -2.12693287488 TCL: Center of mass = 14.1968699817 1.03699245963 -2.127039162 TCL: Center of mass = 14.2000720119 1.03705317689 -2.12715429702 TCL: Center of mass = 14.2032882901 1.03710626681 -2.12726779075 TCL: Center of mass = 14.2065003542 1.03715342239 -2.12739999363 TCL: Center of mass = 14.2097078498 1.03720376138 -2.12752539004 TCL: Center of mass = 14.2129135247 1.03725602635 -2.12764630554 TCL: Center of mass = 14.2161209514 1.03730055314 -2.12776483889 TCL: Center of mass = 14.2193502341 1.03733511789 -2.12788108553 TCL: Center of mass = 14.2225830291 1.03736724379 -2.12799142631 TCL: Center of mass = 14.2258153616 1.03740731197 -2.1281089856 TCL: Center of mass = 14.2290462125 1.03744828534 -2.12820565455 TCL: Center of mass = 14.2322696577 1.03749176469 -2.12830233808 TCL: Center of mass = 14.2354891612 1.03752774955 -2.12838994614 TCL: Center of mass = 14.2387156141 1.0375701133 -2.12848102018 TCL: Center of mass = 14.2419481485 1.03761841698 -2.12857935252 TCL: Center of mass = 14.2451918479 1.03765852052 -2.12867385013 TCL: Center of mass = 14.2484475409 1.03769800232 -2.12875752928 TCL: Center of mass = 14.2517065391 1.03775121141 -2.12884565893 TCL: Center of mass = 14.2549641934 1.03781908892 -2.12893443359 TCL: Center of mass = 14.2582128648 1.03788869966 -2.12902977443 TCL: Center of mass = 14.2614683322 1.03794983349 -2.12914080155 TCL: Center of mass = 14.2647233758 1.03800362369 -2.12925517294 TCL: Center of mass = 14.2679767977 1.03805093573 -2.12937012235 TCL: Center of mass = 14.2712303019 1.03808630061 -2.12948783052 TCL: Center of mass = 14.2744782411 1.0381188675 -2.1296142628 TCL: Center of mass = 14.2777237417 1.0381463698 -2.12975279809 TCL: Center of mass = 14.2809753724 1.03816743656 -2.12989990635 TCL: Center of mass = 14.2842446137 1.0381928122 -2.13004299979 TCL: Center of mass = 14.2875150179 1.03820551091 -2.13019082118 TCL: Center of mass = 14.2907853777 1.03823180145 -2.1303298929 TCL: Center of mass = 14.2940457092 1.03825939546 -2.13048842658 TCL: Center of mass = 14.2972997857 1.03829054038 -2.13064942075 TCL: Center of mass = 14.3005481112 1.0383172179 -2.13082270081 TCL: Center of mass = 14.3037877383 1.03833408087 -2.1309963789 TCL: Center of mass = 14.3070321891 1.03834859071 -2.13117309275 TCL: Center of mass = 14.3102775605 1.03835912177 -2.13133418977 TCL: Center of mass = 14.3135265881 1.03836467957 -2.13150027536 TCL: Center of mass = 14.3167769405 1.03835524678 -2.13165389115 TCL: Center of mass = 14.3200247327 1.03835126382 -2.13178998208 TCL: Center of mass = 14.3232674864 1.03835771725 -2.13193103879 TCL: Center of mass = 14.3265095597 1.03836488855 -2.13206852289 TCL: Center of mass = 14.3297513766 1.03836538096 -2.13220217496 TCL: Center of mass = 14.3329936157 1.03836793048 -2.13233825111 TCL: Center of mass = 14.3362295135 1.03836826714 -2.13247384131 TCL: Center of mass = 14.3394522915 1.0383648254 -2.13260862998 TCL: Center of mass = 14.3426776761 1.0383508698 -2.13274043909 TCL: Center of mass = 14.3459042145 1.03832925227 -2.13286855698 TCL: Center of mass = 14.3491373278 1.038293379 -2.13300167898 TCL: Center of mass = 14.3523720882 1.03825025169 -2.13313064261 TCL: Center of mass = 14.3555964383 1.03821022171 -2.13326731764 TCL: Center of mass = 14.3588143988 1.03817214881 -2.13340135075 TCL: Center of mass = 14.362030971 1.03812555239 -2.13353303741 TCL: Center of mass = 14.3652466763 1.03807382268 -2.13368265931 TCL: Center of mass = 14.3684514885 1.03802958499 -2.13382554502 TCL: Center of mass = 14.3716572676 1.03798742133 -2.13397432654 TCL: Center of mass = 14.374848922 1.03794181987 -2.13413317132 TCL: Center of mass = 14.3780414762 1.03789138777 -2.13428903133 TCL: Center of mass = 14.3812232172 1.03783126979 -2.13444556888 TCL: Center of mass = 14.3844184264 1.03776328279 -2.13459862565 TIMING: 5700 CPU: 475.945, 0.0845172/step Wall: 582.244, 0.103664/step, 0.411776 hours remaining, 20895 kB of memory in use. ENERGY: 5700 403.3716 701.8012 414.1166 45.6791 -2826.5684 -193.6845 0.0000 0.0000 1139.7110 -315.5734 310.6031 -306.9078 -307.0988 310.2667 549.9030 417.4957 64000.0000 245.9621 243.2017 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 = 14.3875991365 1.03770356804 -2.13475082636 TCL: Center of mass = 14.390779687 1.03764964282 -2.13490957145 TCL: Center of mass = 14.3939659496 1.03760431526 -2.13506404208 TCL: Center of mass = 14.3971516228 1.03755400603 -2.13521061237 TCL: Center of mass = 14.4003358652 1.03752173353 -2.13536727685 TCL: Center of mass = 14.4035054304 1.03750177907 -2.13551420971 TCL: Center of mass = 14.4066671469 1.03748480477 -2.13566416258 TCL: Center of mass = 14.4098380087 1.03746066852 -2.13580859441 TCL: Center of mass = 14.41301639 1.03743937718 -2.13594973865 TCL: Center of mass = 14.4161998937 1.03740009872 -2.13608419559 TCL: Center of mass = 14.4193656067 1.03736642044 -2.1362180509 TCL: Center of mass = 14.4225377241 1.03732186112 -2.1363568696 TCL: Center of mass = 14.4256989234 1.03728337766 -2.1364899783 TCL: Center of mass = 14.4288611241 1.03724429411 -2.13660740244 TCL: Center of mass = 14.4320278089 1.03720063286 -2.13671475849 TCL: Center of mass = 14.4351891246 1.03715661899 -2.13681212785 TCL: Center of mass = 14.4383511353 1.03710578343 -2.13693115188 TCL: Center of mass = 14.4415096164 1.03704991482 -2.1370479206 TCL: Center of mass = 14.4446771311 1.03698829222 -2.13717059911 TCL: Center of mass = 14.4478375837 1.03693215918 -2.13729112924 TCL: Center of mass = 14.4510017819 1.03685907476 -2.13739674522 TCL: Center of mass = 14.4541743404 1.03679103346 -2.13751647578 TCL: Center of mass = 14.4573529237 1.03673043271 -2.13765201834 TCL: Center of mass = 14.4605405225 1.03667822605 -2.13777300514 TCL: Center of mass = 14.4637188475 1.03663615027 -2.13789038098 TCL: Center of mass = 14.4669012227 1.03659667347 -2.1380117742 TCL: Center of mass = 14.4700840361 1.03654399998 -2.13813413799 TCL: Center of mass = 14.4732734961 1.03649961172 -2.13825633528 TCL: Center of mass = 14.4764546164 1.0364586258 -2.13838692799 TCL: Center of mass = 14.4796266297 1.03643088866 -2.13850533852 TCL: Center of mass = 14.4827914131 1.0364048306 -2.13861167593 TCL: Center of mass = 14.4859525721 1.03638507256 -2.13872220433 TCL: Center of mass = 14.4891121072 1.03635848321 -2.13883070904 TCL: Center of mass = 14.492264814 1.03631874481 -2.13894861849 TCL: Center of mass = 14.4954207614 1.0362755702 -2.13907153954 TCL: Center of mass = 14.4985814539 1.03624529308 -2.13919273605 TCL: Center of mass = 14.5017412723 1.03622416264 -2.13930673516 TCL: Center of mass = 14.5048981551 1.03620962199 -2.13942145496 TCL: Center of mass = 14.5080568358 1.03619328974 -2.13953973702 TCL: Center of mass = 14.5112285491 1.03619606682 -2.13966049847 TCL: Center of mass = 14.5143947567 1.03620316917 -2.13978123675 TCL: Center of mass = 14.5175655919 1.03621488167 -2.13990708949 TCL: Center of mass = 14.520746813 1.03623007499 -2.1400283061 TCL: Center of mass = 14.5239285958 1.03625595281 -2.140155131 TCL: Center of mass = 14.5271047058 1.03629021117 -2.14029594603 TCL: Center of mass = 14.5302783981 1.03633778121 -2.14043826299 TCL: Center of mass = 14.5334513673 1.03638087787 -2.14059158279 TCL: Center of mass = 14.5366318933 1.03641741424 -2.14075268404 TCL: Center of mass = 14.5398004609 1.0364560912 -2.14091685441 TCL: Center of mass = 14.5429647903 1.03648933398 -2.14109498218 TCL: Center of mass = 14.5461244334 1.03652342665 -2.14128086708 TCL: Center of mass = 14.5492722004 1.03656085125 -2.1414621504 TCL: Center of mass = 14.5524216668 1.03659567938 -2.14164145243 TCL: Center of mass = 14.5555730023 1.03662333023 -2.14182842325 TCL: Center of mass = 14.5587291069 1.03666164928 -2.14201439752 TCL: Center of mass = 14.5618866808 1.03669482254 -2.1421920026 TCL: Center of mass = 14.5650488618 1.03672789565 -2.14236411618 TCL: Center of mass = 14.5682229421 1.03675737266 -2.14253386832 TCL: Center of mass = 14.5713873659 1.03677345511 -2.14269521488 TCL: Center of mass = 14.574544738 1.03679227093 -2.14284865074 TCL: Center of mass = 14.5777098997 1.03680332948 -2.14299957906 TCL: Center of mass = 14.5808732407 1.03682517361 -2.14314950813 TCL: Center of mass = 14.5840323065 1.03684569875 -2.14330093065 TCL: Center of mass = 14.5872028584 1.0368760862 -2.1434514962 TCL: Center of mass = 14.5903615828 1.03689917787 -2.14359817086 TCL: Center of mass = 14.5935229551 1.0369240798 -2.14375306582 TCL: Center of mass = 14.5966914781 1.0369519824 -2.14389863422 TCL: Center of mass = 14.5998507327 1.03698451851 -2.14405575554 TCL: Center of mass = 14.603015722 1.0370171977 -2.14420783428 TCL: Center of mass = 14.6061793091 1.03706488016 -2.14436659568 TCL: Center of mass = 14.609335873 1.03711692219 -2.14452884294 TCL: Center of mass = 14.6124883889 1.03714889619 -2.14468946599 TCL: Center of mass = 14.6156437189 1.03718698056 -2.14485327265 TCL: Center of mass = 14.6187990554 1.03721596002 -2.14501878093 TCL: Center of mass = 14.6219541805 1.03724782872 -2.14518189332 TCL: Center of mass = 14.6251105129 1.03727628692 -2.14534545284 TCL: Center of mass = 14.62826165 1.03730849724 -2.14550049452 TCL: Center of mass = 14.6314146706 1.03734124521 -2.14566081054 TCL: Center of mass = 14.6345774953 1.03737994344 -2.14581783201 TCL: Center of mass = 14.637727851 1.0374192232 -2.14598113117 TCL: Center of mass = 14.6408696205 1.03745000989 -2.14613817471 TCL: Center of mass = 14.6440162114 1.03747111088 -2.14629658797 TCL: Center of mass = 14.6471644349 1.03748807123 -2.14644704232 TCL: Center of mass = 14.6503079108 1.03749951163 -2.14658038003 TCL: Center of mass = 14.6534528783 1.03750816548 -2.14671424161 TCL: Center of mass = 14.6565979135 1.03751936727 -2.14683275666 TCL: Center of mass = 14.659737739 1.03753137785 -2.14696756846 TCL: Center of mass = 14.6628618231 1.03754696545 -2.14710493878 TCL: Center of mass = 14.6659962931 1.03755471612 -2.14724455772 TCL: Center of mass = 14.669137066 1.03756484 -2.14737314113 TCL: Center of mass = 14.6722869434 1.03758071788 -2.14749405713 TCL: Center of mass = 14.6754414696 1.03758914018 -2.14760130871 TCL: Center of mass = 14.6785983453 1.03760484711 -2.14769927026 TCL: Center of mass = 14.6817472957 1.03762396345 -2.14779308163 TCL: Center of mass = 14.6848966328 1.03765057364 -2.14789285899 TCL: Center of mass = 14.6880409112 1.03766543389 -2.14798141013 TCL: Center of mass = 14.6911767869 1.03768319489 -2.14806415717 TCL: Center of mass = 14.6943181027 1.03771334963 -2.14815333758 TCL: Center of mass = 14.6974637656 1.03774249725 -2.14825311704 TCL: Center of mass = 14.7006038717 1.03776719088 -2.14836232677 TIMING: 5800 CPU: 484.414, 0.0846971/step Wall: 592.63, 0.103856/step, 0.409656 hours remaining, 20953 kB of memory in use. ENERGY: 5800 415.4487 693.7554 419.6040 50.2421 -2779.2841 -230.0102 0.0000 0.0000 1101.7317 -328.5124 300.2527 -319.9907 -319.6327 309.6684 492.0814 245.3634 64000.0000 337.8011 338.4225 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 = 14.7037379379 1.0378022535 -2.14846891744 TCL: Center of mass = 14.7068783639 1.03785348819 -2.14857505493 TCL: Center of mass = 14.710008598 1.0379069502 -2.1486684126 TCL: Center of mass = 14.7131244218 1.03796280504 -2.14876593092 TCL: Center of mass = 14.7162326939 1.03802374801 -2.14885975818 TCL: Center of mass = 14.7193367641 1.03809248114 -2.14894754994 TCL: Center of mass = 14.7224353903 1.03816534276 -2.14903896322 TCL: Center of mass = 14.7255495156 1.03823035973 -2.14912614522 TCL: Center of mass = 14.7286678682 1.0382985317 -2.14921017965 TCL: Center of mass = 14.7317918183 1.03835536686 -2.14929838039 TCL: Center of mass = 14.7349298675 1.03841507241 -2.14938693321 TCL: Center of mass = 14.7380576462 1.03847258158 -2.14946125839 TCL: Center of mass = 14.7411882853 1.03853421 -2.14954078685 TCL: Center of mass = 14.7443147173 1.03859758387 -2.14962362229 TCL: Center of mass = 14.7474509228 1.03865794369 -2.14969476674 TCL: Center of mass = 14.7505865366 1.03872389798 -2.14977160121 TCL: Center of mass = 14.7537141934 1.03879126721 -2.14984212815 TCL: Center of mass = 14.7568371946 1.03884760215 -2.14990645077 TCL: Center of mass = 14.7599634597 1.03892026434 -2.14997587529 TCL: Center of mass = 14.7630942068 1.03899110302 -2.1500474994 TCL: Center of mass = 14.7662242885 1.03906519706 -2.15012147272 TCL: Center of mass = 14.7693658174 1.03912984017 -2.15019882306 TCL: Center of mass = 14.7725058287 1.0391941096 -2.15027403717 TCL: Center of mass = 14.7756430267 1.03926051122 -2.1503300803 TCL: Center of mass = 14.7787854836 1.03931866016 -2.15037687899 TCL: Center of mass = 14.7819270455 1.03937549978 -2.15041487393 TCL: Center of mass = 14.785068479 1.03943200499 -2.15045150507 TCL: Center of mass = 14.7882199022 1.03947279086 -2.15048471757 TCL: Center of mass = 14.7913774553 1.03950824702 -2.15051734865 TCL: Center of mass = 14.7945318405 1.03953870948 -2.15055295055 TCL: Center of mass = 14.7976745164 1.03956920452 -2.15059701244 TCL: Center of mass = 14.8008194744 1.03959513521 -2.15064010649 TCL: Center of mass = 14.8039581922 1.03962638798 -2.15067090994 TCL: Center of mass = 14.8070810978 1.0396624042 -2.15070268335 TCL: Center of mass = 14.8102081453 1.03970047765 -2.15073117784 TCL: Center of mass = 14.8133511516 1.03974704223 -2.15075469455 TCL: Center of mass = 14.8164898976 1.03979231785 -2.15077618137 TCL: Center of mass = 14.819622876 1.03983930054 -2.15080665712 TCL: Center of mass = 14.8227575672 1.0398856231 -2.15083850733 TCL: Center of mass = 14.8258900172 1.03992836519 -2.15086390382 TCL: Center of mass = 14.8290326084 1.0399548579 -2.15088547246 TCL: Center of mass = 14.8321750856 1.03998170259 -2.15091772288 TCL: Center of mass = 14.8353119275 1.04000372487 -2.1509324911 TCL: Center of mass = 14.8384538631 1.04002665337 -2.15094024108 TCL: Center of mass = 14.8416010388 1.04007039471 -2.15095363175 TCL: Center of mass = 14.8447460296 1.04011251781 -2.15096558813 TCL: Center of mass = 14.8478991593 1.04016672065 -2.1509829188 TCL: Center of mass = 14.8510465421 1.04021295064 -2.15100579628 TCL: Center of mass = 14.8541956181 1.04024286513 -2.15102683268 TCL: Center of mass = 14.8573579606 1.04027437319 -2.15105825444 TCL: Center of mass = 14.8605015009 1.04031427125 -2.15110067142 TCL: Center of mass = 14.8636384971 1.04035890178 -2.15113669222 TCL: Center of mass = 14.8667748708 1.04040332606 -2.15117677746 TCL: Center of mass = 14.8699040321 1.04044028571 -2.15122082973 TCL: Center of mass = 14.8730323048 1.04046821926 -2.15127458294 TCL: Center of mass = 14.8761617308 1.04050312555 -2.15133179519 TCL: Center of mass = 14.8792919149 1.04054531143 -2.15139941002 TCL: Center of mass = 14.8824317272 1.04058286028 -2.15147331611 TCL: Center of mass = 14.8855810767 1.04062835253 -2.15154613596 TCL: Center of mass = 14.8887237845 1.04068633674 -2.15161804059 TCL: Center of mass = 14.891870875 1.04074476158 -2.15169437011 TCL: Center of mass = 14.8950072606 1.04079746954 -2.15176515973 TCL: Center of mass = 14.8981397083 1.0408583909 -2.15182984761 TCL: Center of mass = 14.901276898 1.04092123419 -2.15190367092 TCL: Center of mass = 14.9044159109 1.04097706418 -2.15197414513 TCL: Center of mass = 14.907546117 1.04103872827 -2.1520547546 TCL: Center of mass = 14.9106662623 1.04109706323 -2.15213019298 TCL: Center of mass = 14.9137864135 1.04114270759 -2.15220888766 TCL: Center of mass = 14.9169040094 1.04118747955 -2.15228950929 TCL: Center of mass = 14.920019694 1.04122522922 -2.15237606683 TCL: Center of mass = 14.9231241751 1.0412622574 -2.15245044762 TCL: Center of mass = 14.9262321052 1.04128030762 -2.15251988202 TCL: Center of mass = 14.9293260832 1.04129255901 -2.1525900928 TCL: Center of mass = 14.9324197374 1.04131288344 -2.15266171569 TCL: Center of mass = 14.9355026401 1.04133074973 -2.15272845007 TCL: Center of mass = 14.9385732391 1.04135143246 -2.15279159194 TCL: Center of mass = 14.9416515477 1.04136373145 -2.15286680301 TCL: Center of mass = 14.9447371398 1.04137383665 -2.15294722258 TCL: Center of mass = 14.9478104472 1.04138850848 -2.15302799317 TCL: Center of mass = 14.9508827888 1.04139982455 -2.15311144615 TCL: Center of mass = 14.9539395021 1.04142271967 -2.15320511069 TCL: Center of mass = 14.9569920604 1.04144289289 -2.15330834661 TCL: Center of mass = 14.960045609 1.0414679704 -2.15342454889 TCL: Center of mass = 14.9630955603 1.04149703286 -2.15354510295 TCL: Center of mass = 14.966144263 1.04153780467 -2.15366270221 TCL: Center of mass = 14.9691949994 1.04156433798 -2.15377367394 TCL: Center of mass = 14.9722493163 1.0415936875 -2.15387978484 TCL: Center of mass = 14.9753118328 1.04161445286 -2.15399896702 TCL: Center of mass = 14.9783720687 1.04163489771 -2.15412226337 TCL: Center of mass = 14.9814398361 1.0416493198 -2.1542537221 TCL: Center of mass = 14.9845099039 1.04166794911 -2.15437823226 TCL: Center of mass = 14.9875806498 1.04168831682 -2.15449091433 TCL: Center of mass = 14.9906513095 1.04170979036 -2.15459722543 TCL: Center of mass = 14.9937186671 1.0417278054 -2.15470672118 TCL: Center of mass = 14.996788749 1.0417438163 -2.15482204467 TCL: Center of mass = 14.9998530403 1.04176509395 -2.15494125247 TCL: Center of mass = 15.002916214 1.04177436042 -2.15506614355 TCL: Center of mass = 15.0059887339 1.04178075791 -2.15519461017 TCL: Center of mass = 15.0090574919 1.04177736103 -2.15534171513 TCL: Center of mass = 15.0121221706 1.04175156381 -2.15549305927 TIMING: 5900 CPU: 492.866, 0.0845171/step Wall: 602.993, 0.103633/step, 0.405896 hours remaining, 20982 kB of memory in use. ENERGY: 5900 430.7304 694.4927 411.5340 43.7843 -2784.1711 -210.9199 0.0000 0.0000 1098.3776 -316.1721 299.3386 -307.4853 -307.8506 309.2124 267.5719 263.9161 64000.0000 351.5644 352.8896 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 = 15.0151890908 1.04172420517 -2.1556579204 TCL: Center of mass = 15.0182498891 1.04168789111 -2.15582475084 TCL: Center of mass = 15.0213060292 1.04165280379 -2.15597598363 TCL: Center of mass = 15.0243576641 1.04162252177 -2.15612327421 TCL: Center of mass = 15.0274134997 1.04159900437 -2.15627354297 TCL: Center of mass = 15.0304732778 1.04158007645 -2.15641704161 TCL: Center of mass = 15.0335383356 1.04156201469 -2.156556659 TCL: Center of mass = 15.0366148748 1.04153557955 -2.15670430755 TCL: Center of mass = 15.0396689161 1.04152042277 -2.15685434031 TCL: Center of mass = 15.0427197159 1.04149723021 -2.1569998992 TCL: Center of mass = 15.0457587197 1.04148258995 -2.15715358837 TCL: Center of mass = 15.048799247 1.04145873919 -2.1573133573 TCL: Center of mass = 15.0518371947 1.04142601108 -2.15746961175 TCL: Center of mass = 15.0548713957 1.04138423448 -2.15762516333 TCL: Center of mass = 15.0579159854 1.04134627175 -2.15777717803 TCL: Center of mass = 15.0609576194 1.04131707211 -2.15792815601 TCL: Center of mass = 15.0640044151 1.04129162933 -2.15807741205 TCL: Center of mass = 15.0670590775 1.04125573859 -2.15821750454 TCL: Center of mass = 15.0701226432 1.04122088169 -2.15836591464 TCL: Center of mass = 15.0731929654 1.04118845017 -2.15851297688 TCL: Center of mass = 15.0762750423 1.04116594117 -2.15866021317 TCL: Center of mass = 15.0793708236 1.04114078334 -2.15880528232 TCL: Center of mass = 15.0824698347 1.04111421486 -2.15895305128 TCL: Center of mass = 15.0855734036 1.04108551888 -2.15911451387 TCL: Center of mass = 15.0886858172 1.04105495257 -2.15926049567 TCL: Center of mass = 15.091804198 1.04102766358 -2.15940158115 TCL: Center of mass = 15.0949184354 1.04101238536 -2.15954171044 TCL: Center of mass = 15.0980306131 1.04100184152 -2.15967661461 TCL: Center of mass = 15.1011455147 1.04100467843 -2.15981411269 TCL: Center of mass = 15.104277973 1.04100320888 -2.15996257356 TCL: Center of mass = 15.107408513 1.04100392762 -2.16011935765 TCL: Center of mass = 15.1105317366 1.04102244759 -2.16026183298 TCL: Center of mass = 15.1136649038 1.04103762793 -2.1604094884 TCL: Center of mass = 15.1168049683 1.04105133444 -2.16054883862 TCL: Center of mass = 15.1199520411 1.04106333962 -2.16068872324 TCL: Center of mass = 15.1231061792 1.04106048654 -2.16083748146 TCL: Center of mass = 15.1262589661 1.04105829271 -2.16097860117 TCL: Center of mass = 15.1294165561 1.04105743685 -2.16111886119 TCL: Center of mass = 15.132570331 1.04106264768 -2.16125259909 TCL: Center of mass = 15.135728927 1.04106320136 -2.16138976872 TCL: Center of mass = 15.1388955469 1.04105443315 -2.16151927982 TCL: Center of mass = 15.142059668 1.04104419313 -2.16164339521 TCL: Center of mass = 15.1452238221 1.04102576219 -2.16175182672 TCL: Center of mass = 15.1483948137 1.04101033053 -2.16186745293 TCL: Center of mass = 15.1515590737 1.04099770471 -2.16198335819 TCL: Center of mass = 15.1547253915 1.04099132164 -2.16211088898 TCL: Center of mass = 15.1578914852 1.04098026528 -2.16224527933 TCL: Center of mass = 15.1610747465 1.0409629289 -2.1623845859 TCL: Center of mass = 15.1642636137 1.0409547076 -2.16253549217 TCL: Center of mass = 15.1674470883 1.04094312022 -2.1626895633 TCL: Center of mass = 15.1706308941 1.04093758232 -2.16283872501 TCL: Center of mass = 15.1738200314 1.04093617103 -2.16299543466 TCL: Center of mass = 15.1770240698 1.0409332061 -2.16315935496 TCL: Center of mass = 15.1802283462 1.04092461267 -2.16332684561 TCL: Center of mass = 15.1834329226 1.04091643234 -2.16350026211 TCL: Center of mass = 15.186643901 1.04090571821 -2.1636764353 TCL: Center of mass = 15.1898493788 1.04090246297 -2.16386283369 TCL: Center of mass = 15.1930501149 1.04089911293 -2.16403931413 TCL: Center of mass = 15.1962534636 1.04090331869 -2.1642299898 TCL: Center of mass = 15.1994475469 1.04091638326 -2.16441671653 TCL: Center of mass = 15.2026456458 1.04093322131 -2.16460780289 TCL: Center of mass = 15.2058415456 1.0409586788 -2.16479257395 TCL: Center of mass = 15.2090365752 1.04098077469 -2.16498293089 TCL: Center of mass = 15.2122329814 1.04099905643 -2.16517497033 TCL: Center of mass = 15.2154252745 1.04101701889 -2.16535851036 TCL: Center of mass = 15.2186129957 1.04102858013 -2.1655513227 TCL: Center of mass = 15.2218136998 1.04102980356 -2.16575131941 TCL: Center of mass = 15.224997309 1.04102656435 -2.16595094783 TCL: Center of mass = 15.2281824344 1.04101908885 -2.16615308259 TCL: Center of mass = 15.2313725452 1.04100763286 -2.16636024819 TCL: Center of mass = 15.2345749738 1.0410072226 -2.16658047416 TCL: Center of mass = 15.2377668747 1.04100545661 -2.16679661739 TCL: Center of mass = 15.2409591783 1.04101104362 -2.1670163772 TCL: Center of mass = 15.2441507597 1.0410269934 -2.1672448337 TCL: Center of mass = 15.2473398253 1.04103993655 -2.16747507115 TCL: Center of mass = 15.2505248243 1.04105299284 -2.16769166733 TCL: Center of mass = 15.2537076123 1.04105762298 -2.1679050827 TCL: Center of mass = 15.2568829459 1.04104776497 -2.16811979138 TCL: Center of mass = 15.2600577333 1.04104583936 -2.16834047644 TCL: Center of mass = 15.2632296469 1.04104680116 -2.16856097713 TCL: Center of mass = 15.2664165076 1.04105330056 -2.16879142003 TCL: Center of mass = 15.2695978057 1.04104578791 -2.16900762534 TCL: Center of mass = 15.2727799817 1.04102941764 -2.16922982738 TCL: Center of mass = 15.2759675366 1.04099711845 -2.16944564789 TCL: Center of mass = 15.2791492195 1.04096930822 -2.16966310679 TCL: Center of mass = 15.2823289073 1.04094940945 -2.16987669821 TCL: Center of mass = 15.2855018155 1.04093583985 -2.17009878129 TCL: Center of mass = 15.2886742693 1.04091474764 -2.17031536369 TCL: Center of mass = 15.2918347934 1.04089132472 -2.17053387502 TCL: Center of mass = 15.2950004523 1.04086646397 -2.17075178172 TCL: Center of mass = 15.2981668809 1.04084369737 -2.1709825645 TCL: Center of mass = 15.3013432732 1.04081790468 -2.17120234513 TCL: Center of mass = 15.3045213073 1.04078740372 -2.17141340893 TCL: Center of mass = 15.3076986475 1.04074523238 -2.17162024601 TCL: Center of mass = 15.3108922257 1.04070094866 -2.17182510682 TCL: Center of mass = 15.3140859372 1.04065184329 -2.17202197908 TCL: Center of mass = 15.3172931758 1.04061512872 -2.17222407179 TCL: Center of mass = 15.3205069802 1.0405763016 -2.17243118456 TCL: Center of mass = 15.3237288305 1.04053358713 -2.17262621623 TCL: Center of mass = 15.3269578059 1.04049419829 -2.17281943468 TIMING: 6000 CPU: 501.379, 0.0851271/step Wall: 613.439, 0.104453/step, 0.406208 hours remaining, 21022 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 404.9296 698.6241 407.5173 45.0990 -2769.8070 -206.7848 0.0000 0.0000 1120.0174 -300.4044 305.2361 -291.6297 -292.2614 310.9253 715.7402 832.6452 64000.0000 506.7679 505.0112 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 = 15.3301907807 1.04044602389 -2.17301751572 TCL: Center of mass = 15.333415807 1.040388608 -2.17320569733 TCL: Center of mass = 15.3366405077 1.04032265519 -2.17338504661 TCL: Center of mass = 15.339869601 1.04024604188 -2.17356165783 TCL: Center of mass = 15.3430963791 1.04015230413 -2.17372634312 TCL: Center of mass = 15.3463201451 1.04006183249 -2.1738821619 TCL: Center of mass = 15.3495363611 1.03995851105 -2.17403947306 TCL: Center of mass = 15.3527581309 1.03985885555 -2.17418954415 TCL: Center of mass = 15.3559824983 1.03975998342 -2.17433870418 TCL: Center of mass = 15.3592056773 1.03967638561 -2.17449076031 TCL: Center of mass = 15.3624173018 1.03959152046 -2.1746374546 TCL: Center of mass = 15.365630193 1.03951437735 -2.17479636606 TCL: Center of mass = 15.3688644869 1.03942769011 -2.17495164243 TCL: Center of mass = 15.3721031096 1.03935127529 -2.17510136747 TCL: Center of mass = 15.3753409924 1.03928473749 -2.17524901948 TCL: Center of mass = 15.3785720019 1.03921936505 -2.17539705597 TCL: Center of mass = 15.3817982036 1.03917020971 -2.17553832741 TCL: Center of mass = 15.3850165198 1.0391302726 -2.1756841601 TCL: Center of mass = 15.3882324384 1.0390935874 -2.17582129058 TCL: Center of mass = 15.3914486425 1.03907705233 -2.17596080816 TCL: Center of mass = 15.3946745617 1.03906561003 -2.17610928431 TCL: Center of mass = 15.3979020603 1.03905210783 -2.17626166713 TCL: Center of mass = 15.4011329009 1.03904562423 -2.17641744047 TCL: Center of mass = 15.404354153 1.03903098378 -2.17656628754 TCL: Center of mass = 15.4075710941 1.03902462806 -2.17670814404 TCL: Center of mass = 15.4107781696 1.03903060435 -2.17685572699 TCL: Center of mass = 15.4139900286 1.03903562083 -2.17701154608 TCL: Center of mass = 15.4172003866 1.03904447025 -2.17716808189 TCL: Center of mass = 15.4204136634 1.03905432117 -2.17732376809 TCL: Center of mass = 15.4236298949 1.03905816622 -2.17747716737 TCL: Center of mass = 15.4268511249 1.03904982564 -2.17762518326 TCL: Center of mass = 15.4300748566 1.0390411046 -2.17776641911 TCL: Center of mass = 15.4332854997 1.0390243509 -2.17790141264 TCL: Center of mass = 15.4364902692 1.0390074848 -2.17803112106 TCL: Center of mass = 15.4396995223 1.03898547276 -2.17817068528 TCL: Center of mass = 15.4429087796 1.03896815795 -2.17830493188 TCL: Center of mass = 15.4461142308 1.03894981577 -2.17843155276 TCL: Center of mass = 15.4493219644 1.03892895816 -2.17855821606 TCL: Center of mass = 15.4525380499 1.03891017573 -2.17868530304 TCL: Center of mass = 15.4557549508 1.03888484837 -2.17882241318 TCL: Center of mass = 15.4589728925 1.0388608813 -2.17896506664 TCL: Center of mass = 15.4621943337 1.03883874757 -2.17911053751 TCL: Center of mass = 15.4654215226 1.03881088807 -2.17925128106 TCL: Center of mass = 15.4686488736 1.03879246412 -2.17939208575 TCL: Center of mass = 15.4718723679 1.03875815404 -2.17953836571 TCL: Center of mass = 15.4750937178 1.03872741011 -2.17969289707 TCL: Center of mass = 15.4783096244 1.03871142816 -2.17983682367 TCL: Center of mass = 15.4815242883 1.03869190745 -2.17997910725 TCL: Center of mass = 15.4847322248 1.03867691564 -2.18011797783 TCL: Center of mass = 15.4879413727 1.03867127986 -2.18025394453 TCL: Center of mass = 15.4911547404 1.03868006444 -2.18038465524 TCL: Center of mass = 15.4943738913 1.03869593688 -2.18052865629 TCL: Center of mass = 15.4975957635 1.03870333287 -2.18066727428 TCL: Center of mass = 15.500812087 1.03872186545 -2.1807931293 TCL: Center of mass = 15.5040310086 1.03873087196 -2.18090326494 TCL: Center of mass = 15.5072557878 1.03873359959 -2.18101829352 TCL: Center of mass = 15.5104825563 1.03873473024 -2.18113370219 TCL: Center of mass = 15.5137101521 1.03872731539 -2.18126090244 TCL: Center of mass = 15.5169363856 1.03871073591 -2.18138902982 TCL: Center of mass = 15.5201575178 1.03867442979 -2.18150202624 TCL: Center of mass = 15.523377671 1.03863375625 -2.18161377894 TCL: Center of mass = 15.5265999421 1.03859683148 -2.18171762041 TCL: Center of mass = 15.5298118878 1.03855811524 -2.18181740721 TCL: Center of mass = 15.5330313612 1.0385363196 -2.18191358016 TCL: Center of mass = 15.5362505992 1.03852251471 -2.18199340522 TCL: Center of mass = 15.539473431 1.03851466978 -2.18207885351 TCL: Center of mass = 15.5426975276 1.03851685004 -2.18215709464 TCL: Center of mass = 15.5459240915 1.03850840328 -2.18224078806 TCL: Center of mass = 15.5491606974 1.0384918942 -2.18231705656 TCL: Center of mass = 15.5524046162 1.03847530295 -2.18240087919 TCL: Center of mass = 15.5556421877 1.03845004556 -2.18247056324 TCL: Center of mass = 15.5588708583 1.0384188249 -2.1825307469 TCL: Center of mass = 15.5620905955 1.03838627747 -2.18258088113 TCL: Center of mass = 15.5653106718 1.03835995989 -2.18264018202 TCL: Center of mass = 15.5685210533 1.03834333322 -2.18270643636 TCL: Center of mass = 15.5717280959 1.03833494727 -2.18278161969 TCL: Center of mass = 15.5749308664 1.03832203893 -2.18285568104 TCL: Center of mass = 15.5781188357 1.03831584806 -2.18293526766 TCL: Center of mass = 15.5813071729 1.03831580503 -2.18301736883 TCL: Center of mass = 15.58450419 1.038316991 -2.18309523609 TCL: Center of mass = 15.5877039488 1.03831652961 -2.18316527016 TCL: Center of mass = 15.5909157138 1.03831208885 -2.18322221246 TCL: Center of mass = 15.5941313835 1.03832021421 -2.18328765992 TCL: Center of mass = 15.5973449398 1.03832702707 -2.1833530127 TCL: Center of mass = 15.600562403 1.03833205388 -2.1834023409 TCL: Center of mass = 15.6037874179 1.03834433287 -2.18344817701 TCL: Center of mass = 15.607016133 1.0383522409 -2.18348941857 TCL: Center of mass = 15.610242986 1.03834587223 -2.1835241022 TCL: Center of mass = 15.6134646796 1.0383427353 -2.18356143047 TCL: Center of mass = 15.6166921 1.03833051952 -2.18360213102 TCL: Center of mass = 15.6199267391 1.03831068826 -2.18364096112 TCL: Center of mass = 15.6231774124 1.03829854446 -2.18366142924 TCL: Center of mass = 15.6264320441 1.0382877781 -2.18368875211 TCL: Center of mass = 15.6296946732 1.0382763948 -2.18372667771 TCL: Center of mass = 15.6329468124 1.03825769478 -2.1837559974 TCL: Center of mass = 15.6362064904 1.03823575967 -2.18379251839 TCL: Center of mass = 15.6394671584 1.03820461132 -2.1838191811 TCL: Center of mass = 15.6427253388 1.03817493419 -2.18384790208 TCL: Center of mass = 15.6459814015 1.03813814861 -2.18388702478 TCL: Center of mass = 15.6492379684 1.03810035559 -2.1839252108 TIMING: 6100 CPU: 509.831, 0.0845271/step Wall: 623.806, 0.103676/step, 0.400306 hours remaining, 21062 kB of memory in use. ENERGY: 6100 404.3365 695.2109 399.3347 49.8051 -2790.8201 -209.0616 0.0000 0.0000 1144.5409 -306.6536 311.9194 -297.8011 -298.5726 307.9767 68.1567 465.0709 64000.0000 296.2255 295.5720 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 = 15.6524996184 1.0380474274 -2.18396363211 TCL: Center of mass = 15.6557595411 1.03799894378 -2.18399374415 TCL: Center of mass = 15.6590139756 1.03794888177 -2.18401748572 TCL: Center of mass = 15.6622671784 1.03787593895 -2.18402432429 TCL: Center of mass = 15.6655196601 1.03779852722 -2.18403813035 TCL: Center of mass = 15.6687670265 1.03771823953 -2.18405565609 TCL: Center of mass = 15.6720132429 1.03763661078 -2.18406254658 TCL: Center of mass = 15.6752591288 1.03755653163 -2.18408357017 TCL: Center of mass = 15.6785068163 1.03748435182 -2.18409271779 TCL: Center of mass = 15.6817610705 1.0374172457 -2.18410624391 TCL: Center of mass = 15.6850147859 1.03735664905 -2.18412100686 TCL: Center of mass = 15.6882733983 1.03730307259 -2.1841324168 TCL: Center of mass = 15.6915308706 1.03723250385 -2.18414721705 TCL: Center of mass = 15.6947774479 1.03715437517 -2.18416187833 TCL: Center of mass = 15.698021671 1.03708796469 -2.18418392644 TCL: Center of mass = 15.7012727972 1.03703495045 -2.18420078459 TCL: Center of mass = 15.7045252778 1.03696163802 -2.18423235323 TCL: Center of mass = 15.7077801953 1.03688985262 -2.18426775277 TCL: Center of mass = 15.7110185935 1.03682340323 -2.18429711732 TCL: Center of mass = 15.7142663341 1.03674890049 -2.18433267345 TCL: Center of mass = 15.7175120084 1.03667713872 -2.18436786373 TCL: Center of mass = 15.7207577634 1.03659581562 -2.1843910467 TCL: Center of mass = 15.7240039223 1.03652405955 -2.18442586943 TCL: Center of mass = 15.7272446541 1.03645861979 -2.18445171292 TCL: Center of mass = 15.730490971 1.03638393559 -2.18447759011 TCL: Center of mass = 15.7337319179 1.03630491251 -2.18451048171 TCL: Center of mass = 15.736977924 1.03621896644 -2.18454276555 TCL: Center of mass = 15.7402166166 1.03611148952 -2.18457746363 TCL: Center of mass = 15.7434530122 1.03599019303 -2.18461356036 TCL: Center of mass = 15.746695921 1.03586283204 -2.18464673919 TCL: Center of mass = 15.749928765 1.03572940278 -2.18468329622 TCL: Center of mass = 15.7531623621 1.03560316627 -2.18470844896 TCL: Center of mass = 15.7564072099 1.03547886105 -2.1847411752 TCL: Center of mass = 15.759650955 1.03536094641 -2.18477631869 TCL: Center of mass = 15.7628909402 1.03524016673 -2.18481646175 TCL: Center of mass = 15.7661236687 1.03511335028 -2.18483934991 TCL: Center of mass = 15.7693439623 1.03498603752 -2.18485019335 TCL: Center of mass = 15.7725731191 1.03485761474 -2.18486215507 TCL: Center of mass = 15.7757968516 1.03472482703 -2.18487238129 TCL: Center of mass = 15.7790206701 1.03459392983 -2.18488465282 TCL: Center of mass = 15.7822414638 1.03446115339 -2.18490455175 TCL: Center of mass = 15.7854555474 1.03433708398 -2.18491628396 TCL: Center of mass = 15.788674808 1.03421290077 -2.18491599279 TCL: Center of mass = 15.7919042449 1.03407861557 -2.18491838783 TCL: Center of mass = 15.7951285898 1.03393104746 -2.18491681558 TCL: Center of mass = 15.7983681532 1.03378457969 -2.18491682064 TCL: Center of mass = 15.8016058541 1.03363555365 -2.18490604078 TCL: Center of mass = 15.804842652 1.03348136847 -2.18490202803 TCL: Center of mass = 15.8080768849 1.03332722817 -2.1849107263 TCL: Center of mass = 15.8113257416 1.03317051755 -2.18491563864 TCL: Center of mass = 15.8145796348 1.03301107747 -2.18492172947 TCL: Center of mass = 15.8178338707 1.0328470406 -2.18492299177 TCL: Center of mass = 15.8210831083 1.03269396612 -2.18493196035 TCL: Center of mass = 15.8243187695 1.0325389858 -2.18494506507 TCL: Center of mass = 15.8275471194 1.03238440843 -2.18495355008 TCL: Center of mass = 15.8307804569 1.03223802666 -2.18497323702 TCL: Center of mass = 15.8340078229 1.03209451989 -2.18499250957 TCL: Center of mass = 15.8372269133 1.03195582712 -2.18501354447 TCL: Center of mass = 15.8404499004 1.03182257436 -2.18503754621 TCL: Center of mass = 15.8436878983 1.03168314308 -2.18506118425 TCL: Center of mass = 15.8469357264 1.03154640177 -2.18509472952 TCL: Center of mass = 15.8501815938 1.03138917478 -2.18513303624 TCL: Center of mass = 15.8534234771 1.03123028255 -2.18516418945 TCL: Center of mass = 15.8566821114 1.03107560705 -2.18519103963 TCL: Center of mass = 15.8599280942 1.03091796322 -2.18521832869 TCL: Center of mass = 15.863168842 1.03076733447 -2.18525706264 TCL: Center of mass = 15.8664119365 1.03061675208 -2.1853056146 TCL: Center of mass = 15.869665056 1.03045640266 -2.18535438019 TCL: Center of mass = 15.8729255358 1.03030067907 -2.185397208 TCL: Center of mass = 15.8761818699 1.03014290779 -2.18543689216 TCL: Center of mass = 15.8794536429 1.02999573252 -2.18547920872 TCL: Center of mass = 15.8827215887 1.02983988628 -2.18551667092 TCL: Center of mass = 15.8860050183 1.02967443868 -2.18554581956 TCL: Center of mass = 15.8892860627 1.0295096175 -2.18557376268 TCL: Center of mass = 15.8925659727 1.02934637798 -2.18559889059 TCL: Center of mass = 15.8958490131 1.02917397635 -2.18562582916 TCL: Center of mass = 15.8991109351 1.02900949132 -2.18564722095 TCL: Center of mass = 15.9023772716 1.0288419899 -2.18566968579 TCL: Center of mass = 15.9056446364 1.02866582337 -2.18569228672 TCL: Center of mass = 15.9089019792 1.02847659159 -2.18571304675 TCL: Center of mass = 15.9121700084 1.02828216991 -2.18572571368 TCL: Center of mass = 15.9154378218 1.02808742267 -2.18572964458 TCL: Center of mass = 15.918703056 1.0279006607 -2.18574220678 TCL: Center of mass = 15.9219562787 1.02769484366 -2.18575974665 TCL: Center of mass = 15.9251937534 1.02749416323 -2.18577218687 TCL: Center of mass = 15.9284313932 1.02729324724 -2.18578341163 TCL: Center of mass = 15.9316738314 1.02709957234 -2.1857945812 TCL: Center of mass = 15.9348951813 1.02691175736 -2.18581016794 TCL: Center of mass = 15.9381233604 1.02672620952 -2.18582020295 TCL: Center of mass = 15.9413465728 1.02653487237 -2.18583352184 TCL: Center of mass = 15.9445754523 1.02634144542 -2.18584126337 TCL: Center of mass = 15.9477981316 1.0261609827 -2.18583991756 TCL: Center of mass = 15.951033138 1.02598609547 -2.18583839758 TCL: Center of mass = 15.9542737141 1.02581924605 -2.18583368763 TCL: Center of mass = 15.9575081925 1.02565852715 -2.18581025406 TCL: Center of mass = 15.9607442975 1.025502162 -2.18577307356 TCL: Center of mass = 15.9639938454 1.02533921865 -2.18573399302 TCL: Center of mass = 15.9672528483 1.02517326418 -2.18570982978 TCL: Center of mass = 15.9705129876 1.0250106525 -2.18567904442 TCL: Center of mass = 15.9737692589 1.02484751582 -2.18565117763 TIMING: 6200 CPU: 518.372, 0.085407/step Wall: 634.295, 0.104885/step, 0.40206 hours remaining, 21141 kB of memory in use. ENERGY: 6200 398.4554 703.5642 420.7133 47.8112 -2787.7321 -239.2977 0.0000 0.0000 1140.1671 -316.3185 310.7274 -307.4375 -308.2240 312.1304 689.6056 803.7688 64000.0000 489.8728 485.3905 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 = 15.9770148973 1.02467587283 -2.1856143722 TCL: Center of mass = 15.9802570994 1.0244965041 -2.1855770787 TCL: Center of mass = 15.9834900945 1.02432610658 -2.18554266142 TCL: Center of mass = 15.9867281505 1.02415465668 -2.18551084488 TCL: Center of mass = 15.9899580237 1.0239919336 -2.18548321945 TCL: Center of mass = 15.9931842308 1.02384596006 -2.18545379438 TCL: Center of mass = 15.996413557 1.02368945838 -2.1854274337 TCL: Center of mass = 15.9996411575 1.02352673756 -2.1853974269 TCL: Center of mass = 16.0028647861 1.0233678823 -2.18536209328 TCL: Center of mass = 16.0060951843 1.02321491394 -2.18533795931 TCL: Center of mass = 16.0093205799 1.02305978176 -2.18531564461 TCL: Center of mass = 16.012555919 1.0228908628 -2.18529204861 TCL: Center of mass = 16.0157971828 1.02271432005 -2.18527484924 TCL: Center of mass = 16.0190380108 1.02254306146 -2.18524926367 TCL: Center of mass = 16.0222796445 1.02236764866 -2.18521040586 TCL: Center of mass = 16.0255260779 1.02220314931 -2.18517676543 TCL: Center of mass = 16.0287652805 1.02204653618 -2.18514438489 TCL: Center of mass = 16.0320099887 1.02189027448 -2.1851069936 TCL: Center of mass = 16.0352523656 1.02173619072 -2.1850637325 TCL: Center of mass = 16.0385037665 1.02157593366 -2.18501531954 TCL: Center of mass = 16.0417628292 1.02140639765 -2.18497596665 TCL: Center of mass = 16.0450288042 1.02122850997 -2.18494506694 TCL: Center of mass = 16.0483030587 1.02104178384 -2.18491607188 TCL: Center of mass = 16.0515686446 1.02084481002 -2.18489041918 TCL: Center of mass = 16.054844389 1.02065335199 -2.18486461208 TCL: Center of mass = 16.0581213514 1.02046094121 -2.18484507056 TCL: Center of mass = 16.0614044451 1.02027073347 -2.18482225902 TCL: Center of mass = 16.064701951 1.02008364015 -2.18479863496 TCL: Center of mass = 16.0680006838 1.01988114883 -2.18477233045 TCL: Center of mass = 16.0713033043 1.01967806326 -2.18474300857 TCL: Center of mass = 16.0746003639 1.01948528335 -2.18471063766 TCL: Center of mass = 16.0778987961 1.01929280515 -2.18467715516 TCL: Center of mass = 16.0812072369 1.01909355861 -2.18464782776 TCL: Center of mass = 16.0845287224 1.01889845889 -2.18462795434 TCL: Center of mass = 16.0878560233 1.01870598996 -2.18461592603 TCL: Center of mass = 16.0911846709 1.0185082425 -2.18460521044 TCL: Center of mass = 16.0945133641 1.01830983634 -2.18460280374 TCL: Center of mass = 16.0978421181 1.01811016294 -2.18460330483 TCL: Center of mass = 16.1011745181 1.01791949783 -2.18460689024 TCL: Center of mass = 16.1045125581 1.0177227687 -2.18461190914 TCL: Center of mass = 16.1078553229 1.01751550853 -2.18462404872 TCL: Center of mass = 16.1111982353 1.01731287116 -2.1846294383 TCL: Center of mass = 16.1145480109 1.01711777638 -2.1846441387 TCL: Center of mass = 16.1179122938 1.01690400891 -2.18465972823 TCL: Center of mass = 16.1212782376 1.01669473939 -2.18466595277 TCL: Center of mass = 16.1246466334 1.01649322089 -2.18467231435 TCL: Center of mass = 16.1280084159 1.01628638147 -2.18467880322 TCL: Center of mass = 16.1313658685 1.01608207678 -2.18467820621 TCL: Center of mass = 16.1347186531 1.0158746999 -2.18467916086 TCL: Center of mass = 16.1380724486 1.01566075683 -2.18467543643 TCL: Center of mass = 16.1414384353 1.01546207037 -2.18467126958 TCL: Center of mass = 16.1448157672 1.01525691058 -2.1846611105 TCL: Center of mass = 16.1481896727 1.01505840765 -2.18464539434 TCL: Center of mass = 16.1515585622 1.01484350072 -2.18462497769 TCL: Center of mass = 16.1549165625 1.01461757503 -2.18460232118 TCL: Center of mass = 16.1582864227 1.01438158417 -2.18458194755 TCL: Center of mass = 16.1616698076 1.01415610499 -2.18455483368 TCL: Center of mass = 16.1650535719 1.01393641427 -2.18451803198 TCL: Center of mass = 16.1684228582 1.01371737796 -2.18448008604 TCL: Center of mass = 16.1717906291 1.01348692417 -2.1844359232 TCL: Center of mass = 16.1751674292 1.01324824895 -2.18439248711 TCL: Center of mass = 16.1785322579 1.01301657693 -2.18435629804 TCL: Center of mass = 16.1818975915 1.01278784569 -2.18431868764 TCL: Center of mass = 16.1852655684 1.01258111068 -2.18428663517 TCL: Center of mass = 16.1886238644 1.0123839881 -2.18426243195 TCL: Center of mass = 16.1919780924 1.0121887758 -2.18423651727 TCL: Center of mass = 16.1953349196 1.01198911872 -2.18421414655 TCL: Center of mass = 16.1986878561 1.0117824502 -2.18419795963 TCL: Center of mass = 16.2020531158 1.01156557699 -2.18416858373 TCL: Center of mass = 16.2054193199 1.01136116733 -2.18413525434 TCL: Center of mass = 16.208786751 1.01114670597 -2.18410435444 TCL: Center of mass = 16.2121543712 1.01094347331 -2.18408036424 TCL: Center of mass = 16.2155288831 1.0107521491 -2.1840652216 TCL: Center of mass = 16.2189061482 1.01056209711 -2.18404881156 TCL: Center of mass = 16.2222895361 1.01036693414 -2.18402630751 TCL: Center of mass = 16.2256612387 1.01018029971 -2.18401509385 TCL: Center of mass = 16.2290221958 1.0099965684 -2.18400233221 TCL: Center of mass = 16.2323801074 1.00981704138 -2.18398814348 TCL: Center of mass = 16.2357300079 1.00963180734 -2.18397525625 TCL: Center of mass = 16.2390828558 1.00944640741 -2.18396803743 TCL: Center of mass = 16.2424345008 1.00926166988 -2.18396141973 TCL: Center of mass = 16.2457966663 1.0090820568 -2.18394476882 TCL: Center of mass = 16.2491513104 1.00891280346 -2.18392117126 TCL: Center of mass = 16.2525018022 1.00874428732 -2.18390576971 TCL: Center of mass = 16.2558479711 1.00858833947 -2.18388457406 TCL: Center of mass = 16.2591957332 1.0084444629 -2.18386795412 TCL: Center of mass = 16.2625441641 1.00831230337 -2.18384270946 TCL: Center of mass = 16.2658988095 1.00819414922 -2.18382305156 TCL: Center of mass = 16.269238621 1.00807706725 -2.18380936897 TCL: Center of mass = 16.272588578 1.0079577591 -2.18380053902 TCL: Center of mass = 16.2759465398 1.00784169963 -2.18380279523 TCL: Center of mass = 16.2792974588 1.00772886962 -2.18380385115 TCL: Center of mass = 16.2826415037 1.00761914262 -2.18378165762 TCL: Center of mass = 16.2859904644 1.0075076857 -2.18375601178 TCL: Center of mass = 16.2893503063 1.00739775148 -2.18373002131 TCL: Center of mass = 16.2927020684 1.00728892878 -2.18370625521 TCL: Center of mass = 16.2960396579 1.00717906566 -2.18368170186 TCL: Center of mass = 16.2993722884 1.00705629675 -2.18365696139 TCL: Center of mass = 16.3027073294 1.00694153939 -2.18363820586 TCL: Center of mass = 16.306044937 1.00683694611 -2.18361813193 TIMING: 6300 CPU: 526.868, 0.0849571/step Wall: 644.724, 0.104298/step, 0.39691 hours remaining, 21141 kB of memory in use. ENERGY: 6300 393.9046 677.0137 408.8230 44.5160 -2754.5877 -231.2352 0.0000 0.0000 1150.2877 -311.2779 313.4856 -302.6229 -302.0915 310.8403 832.8884 525.0424 64000.0000 302.2492 304.4349 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 = 16.3093786298 1.00673560363 -2.18359179237 TCL: Center of mass = 16.3127228435 1.0066327781 -2.1835740819 TCL: Center of mass = 16.3160671007 1.00652148405 -2.18354866068 TCL: Center of mass = 16.3194207679 1.00641868797 -2.18352835248 TCL: Center of mass = 16.3227577358 1.00631082394 -2.1835153296 TCL: Center of mass = 16.3260980673 1.00618469719 -2.18350933815 TCL: Center of mass = 16.3294400568 1.00606628173 -2.1835084003 TCL: Center of mass = 16.3327811857 1.00594879708 -2.18350193019 TCL: Center of mass = 16.3361207893 1.00583674859 -2.18349472507 TCL: Center of mass = 16.3394739854 1.00572047106 -2.183475185 TCL: Center of mass = 16.3428335506 1.00560428065 -2.18347427288 TCL: Center of mass = 16.3461891434 1.00548846863 -2.18347354307 TCL: Center of mass = 16.3495603025 1.00536068331 -2.18347430758 TCL: Center of mass = 16.3529193872 1.00522539032 -2.18347131891 TCL: Center of mass = 16.3562758174 1.00508000829 -2.18346065364 TCL: Center of mass = 16.3596289363 1.00492379751 -2.18345107768 TCL: Center of mass = 16.3629837991 1.0047603922 -2.18345506431 TCL: Center of mass = 16.3663465013 1.00459359773 -2.1834525997 TCL: Center of mass = 16.3697024098 1.00442727316 -2.18346319515 TCL: Center of mass = 16.3730512891 1.00425505988 -2.18347615236 TCL: Center of mass = 16.3764015283 1.00407443787 -2.18349219896 TCL: Center of mass = 16.37975426 1.00390497334 -2.18351788158 TCL: Center of mass = 16.3831105198 1.00373184419 -2.18355290576 TCL: Center of mass = 16.386475893 1.00356005755 -2.18359013665 TCL: Center of mass = 16.3898440979 1.00338961768 -2.18363289694 TCL: Center of mass = 16.3932109878 1.00322301887 -2.18366772239 TCL: Center of mass = 16.3965775734 1.00305771841 -2.18370462641 TCL: Center of mass = 16.3999532895 1.00288369903 -2.18373988237 TCL: Center of mass = 16.4033196768 1.0027056865 -2.1837740146 TCL: Center of mass = 16.4066991596 1.00253306433 -2.18380250588 TCL: Center of mass = 16.4100726933 1.00235026364 -2.1838428387 TCL: Center of mass = 16.4134528303 1.00216384812 -2.18388900319 TCL: Center of mass = 16.4168258474 1.00197261782 -2.18394423609 TCL: Center of mass = 16.4202110383 1.00178549987 -2.18400041633 TCL: Center of mass = 16.4235951965 1.00159506674 -2.18404484567 TCL: Center of mass = 16.4269905171 1.00140920003 -2.18408849172 TCL: Center of mass = 16.4303917338 1.0012146621 -2.18415024122 TCL: Center of mass = 16.4337861421 1.0010159478 -2.18420932701 TCL: Center of mass = 16.4371787619 1.00081981748 -2.18426700204 TCL: Center of mass = 16.4405735285 1.00062812548 -2.18431601356 TCL: Center of mass = 16.4439727247 1.00043167953 -2.18436355899 TCL: Center of mass = 16.4473678521 1.00024561354 -2.18440317035 TCL: Center of mass = 16.4507646111 1.00004706672 -2.18443577463 TCL: Center of mass = 16.4541504204 0.999846209925 -2.18447603885 TCL: Center of mass = 16.4575326162 0.999641636275 -2.18450572289 TCL: Center of mass = 16.4609112765 0.999439582416 -2.18453330962 TCL: Center of mass = 16.4642913119 0.99923615637 -2.18457212699 TCL: Center of mass = 16.4676816081 0.999044420062 -2.1846048828 TCL: Center of mass = 16.4710653693 0.99885818824 -2.18462953884 TCL: Center of mass = 16.474453524 0.99868775784 -2.18463718354 TCL: Center of mass = 16.4778413338 0.998523305478 -2.18464382382 TCL: Center of mass = 16.4812365126 0.998358882363 -2.18465366439 TCL: Center of mass = 16.4846407493 0.998198387704 -2.18466591891 TCL: Center of mass = 16.4880335992 0.998045619341 -2.1846858829 TCL: Center of mass = 16.4914176862 0.997897749077 -2.18470566443 TCL: Center of mass = 16.4947985401 0.997754365937 -2.18472774015 TCL: Center of mass = 16.4981700848 0.997609353581 -2.18474323724 TCL: Center of mass = 16.5015383331 0.997472129749 -2.18476710907 TCL: Center of mass = 16.5049117973 0.997334236791 -2.18479801196 TCL: Center of mass = 16.508282679 0.997202343879 -2.18483731726 TCL: Center of mass = 16.5116651405 0.997079921963 -2.18486324456 TCL: Center of mass = 16.5150314839 0.996941333965 -2.18488647969 TCL: Center of mass = 16.518387302 0.996798854825 -2.18490631892 TCL: Center of mass = 16.5217439857 0.99664673776 -2.18492811978 TCL: Center of mass = 16.5250911463 0.996492664965 -2.18493163221 TCL: Center of mass = 16.5284510299 0.996342146623 -2.18493763438 TCL: Center of mass = 16.531811762 0.996188908976 -2.18495032414 TCL: Center of mass = 16.5351732541 0.996033301066 -2.18495380381 TCL: Center of mass = 16.5385346439 0.995878501133 -2.18494768705 TCL: Center of mass = 16.5419027512 0.995733394235 -2.18494860346 TCL: Center of mass = 16.5452766292 0.995594317114 -2.18494406042 TCL: Center of mass = 16.5486603235 0.995449318287 -2.18494439418 TCL: Center of mass = 16.552046008 0.995289460951 -2.18494602425 TCL: Center of mass = 16.5554321192 0.995130449241 -2.18495222147 TCL: Center of mass = 16.5588103015 0.994984686422 -2.1849588231 TCL: Center of mass = 16.5621999818 0.99483874119 -2.18496293628 TCL: Center of mass = 16.5655974234 0.994682498083 -2.18497457805 TCL: Center of mass = 16.568994166 0.994522237764 -2.18499129618 TCL: Center of mass = 16.572386304 0.994371497126 -2.18500666478 TCL: Center of mass = 16.5757827003 0.994226823259 -2.18502058241 TCL: Center of mass = 16.5791842871 0.994076448715 -2.18502470431 TCL: Center of mass = 16.5825897219 0.993932599192 -2.18503314134 TCL: Center of mass = 16.5859871749 0.993766882258 -2.18502078606 TCL: Center of mass = 16.5893841686 0.993583037627 -2.18499872983 TCL: Center of mass = 16.5927830101 0.993407903277 -2.18499789157 TCL: Center of mass = 16.596184291 0.993221956911 -2.18499764933 TCL: Center of mass = 16.5995901756 0.993038276853 -2.18499951491 TCL: Center of mass = 16.6029920399 0.992853324574 -2.18499269821 TCL: Center of mass = 16.6063992977 0.992657096431 -2.1849748765 TCL: Center of mass = 16.6098120703 0.992469337351 -2.18495679233 TCL: Center of mass = 16.6132208324 0.992283311681 -2.18494195567 TCL: Center of mass = 16.6166337614 0.992096558802 -2.18491709463 TCL: Center of mass = 16.6200574365 0.991907423855 -2.1848898786 TCL: Center of mass = 16.6234771395 0.991713327742 -2.18487292329 TCL: Center of mass = 16.6268873146 0.991517283599 -2.18485685937 TCL: Center of mass = 16.630296112 0.991318449081 -2.1848252888 TCL: Center of mass = 16.6337027884 0.991118386456 -2.18479131235 TCL: Center of mass = 16.6370923478 0.990912825674 -2.18475508109 TCL: Center of mass = 16.640473115 0.990711922194 -2.18471237843 TCL: Center of mass = 16.6438458312 0.99050213524 -2.18466901193 TIMING: 6400 CPU: 535.394, 0.085257/step Wall: 655.19, 0.104655/step, 0.395364 hours remaining, 21231 kB of memory in use. ENERGY: 6400 377.3603 685.3499 392.6848 39.5218 -2768.1091 -202.8083 0.0000 0.0000 1171.9288 -304.0717 319.3834 -295.8724 -293.8103 312.9048 949.7960 661.0181 64000.0000 350.4112 351.0792 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 = 16.647218782 0.990287664424 -2.1846198867 TCL: Center of mass = 16.6505939822 0.990078551683 -2.18457600174 TCL: Center of mass = 16.6539756871 0.989862755199 -2.18453385033 TCL: Center of mass = 16.6573444707 0.98964602774 -2.18450136373 TCL: Center of mass = 16.660718322 0.989431662052 -2.1844647297 TCL: Center of mass = 16.6640836467 0.989214346683 -2.18443180341 TCL: Center of mass = 16.6674499614 0.989002010433 -2.18439210731 TCL: Center of mass = 16.6708061127 0.98878544154 -2.18435888358 TCL: Center of mass = 16.6741559857 0.988572297036 -2.1843215163 TCL: Center of mass = 16.6775132526 0.988352276275 -2.18428486585 TCL: Center of mass = 16.6808760536 0.988144101688 -2.18424953309 TCL: Center of mass = 16.6842541884 0.987934065129 -2.18421715435 TCL: Center of mass = 16.6876407339 0.987716927066 -2.18418216911 TCL: Center of mass = 16.6910233578 0.987496657903 -2.18414732057 TCL: Center of mass = 16.6944003409 0.987264458107 -2.18411895033 TCL: Center of mass = 16.6977741603 0.987026009596 -2.18408749103 TCL: Center of mass = 16.7011506183 0.98677404619 -2.18406205631 TCL: Center of mass = 16.7045138727 0.986524113872 -2.18402705978 TCL: Center of mass = 16.7078769345 0.986270785699 -2.18398952488 TCL: Center of mass = 16.7112381007 0.986019122619 -2.18394219603 TCL: Center of mass = 16.7145983811 0.985764972425 -2.18390412056 TCL: Center of mass = 16.7179645576 0.985519761987 -2.18386514536 TCL: Center of mass = 16.7213311228 0.985268761868 -2.18382224678 TCL: Center of mass = 16.7246871916 0.985023416337 -2.18379471994 TCL: Center of mass = 16.7280303608 0.984772908598 -2.18375189896 TCL: Center of mass = 16.7313764466 0.984522384487 -2.18369955141 TCL: Center of mass = 16.7347289908 0.984283637387 -2.18365174628 TCL: Center of mass = 16.7380823175 0.984042902414 -2.18360121522 TCL: Center of mass = 16.7414238601 0.983803668074 -2.18354729698 TCL: Center of mass = 16.7447753172 0.983556742252 -2.18348361203 TCL: Center of mass = 16.7481323568 0.98331948023 -2.18343219797 TCL: Center of mass = 16.7514821919 0.983092595408 -2.1833776786 TCL: Center of mass = 16.7548447187 0.982850368842 -2.18331829302 TCL: Center of mass = 16.7582075811 0.98261216136 -2.18327279541 TCL: Center of mass = 16.7615676928 0.982374473289 -2.18321202895 TCL: Center of mass = 16.7649188979 0.982143926258 -2.18316541435 TCL: Center of mass = 16.7682661977 0.981918645637 -2.18312260085 TCL: Center of mass = 16.7716079913 0.981691438066 -2.18307855152 TCL: Center of mass = 16.7749559814 0.981461242092 -2.18303435506 TCL: Center of mass = 16.7782981451 0.981243663245 -2.18298373785 TCL: Center of mass = 16.7816461121 0.981032383288 -2.18293092566 TCL: Center of mass = 16.7849948856 0.980816130629 -2.18287931989 TCL: Center of mass = 16.7883371551 0.980597310546 -2.18283669175 TCL: Center of mass = 16.7916713125 0.980371289093 -2.18280033415 TCL: Center of mass = 16.794996704 0.980134146428 -2.18276438432 TCL: Center of mass = 16.7983156411 0.979892007032 -2.18272983865 TCL: Center of mass = 16.8016375989 0.979653407077 -2.18270033369 TCL: Center of mass = 16.8049597347 0.979420058916 -2.18267576104 TCL: Center of mass = 16.8082871785 0.979181684776 -2.18266135713 TCL: Center of mass = 16.8116096626 0.978941222632 -2.18264582542 TCL: Center of mass = 16.8149424852 0.978684572295 -2.18263354295 TCL: Center of mass = 16.8182717183 0.978426653638 -2.18262366763 TCL: Center of mass = 16.8215941294 0.978175603584 -2.18262415644 TCL: Center of mass = 16.8249191898 0.977929502282 -2.18262161299 TCL: Center of mass = 16.8282379995 0.977680528696 -2.18262474887 TCL: Center of mass = 16.8315611947 0.977432640786 -2.18264360633 TCL: Center of mass = 16.8348817452 0.977179522243 -2.18266885119 TCL: Center of mass = 16.8382090696 0.97693262506 -2.18270368738 TCL: Center of mass = 16.8415291262 0.976684807657 -2.18274895931 TCL: Center of mass = 16.8448387261 0.976436263164 -2.18278844654 TCL: Center of mass = 16.8481542889 0.976188823963 -2.18283215137 TCL: Center of mass = 16.8514675576 0.975952883175 -2.18287464845 TCL: Center of mass = 16.8547697234 0.975707660195 -2.18290341291 TCL: Center of mass = 16.8580654639 0.975470561978 -2.18292412669 TCL: Center of mass = 16.8613592257 0.975222780813 -2.18294832357 TCL: Center of mass = 16.8646576136 0.974976452513 -2.18296590112 TCL: Center of mass = 16.8679672729 0.97472463468 -2.1829844898 TCL: Center of mass = 16.8712835841 0.974469393099 -2.18299980635 TCL: Center of mass = 16.8745947286 0.97422660812 -2.18302185601 TCL: Center of mass = 16.8779024847 0.973982554112 -2.18303760466 TCL: Center of mass = 16.8812080489 0.973752215127 -2.18303413083 TCL: Center of mass = 16.8845157251 0.973526506818 -2.18303309414 TCL: Center of mass = 16.8878273484 0.97330592949 -2.18303807981 TCL: Center of mass = 16.891141833 0.973084824733 -2.18303596539 TCL: Center of mass = 16.8944513693 0.972862536308 -2.18303744437 TCL: Center of mass = 16.8977614567 0.972645610504 -2.18304062765 TCL: Center of mass = 16.9010808538 0.972427983132 -2.18304933914 TCL: Center of mass = 16.9044126528 0.97221151637 -2.18305393072 TCL: Center of mass = 16.9077448548 0.971999964944 -2.18305477113 TCL: Center of mass = 16.9110824753 0.971778857643 -2.18305716646 TCL: Center of mass = 16.9144181682 0.971559684088 -2.18305796646 TCL: Center of mass = 16.9177540165 0.971347477764 -2.18305634875 TCL: Center of mass = 16.9210833168 0.971122975151 -2.18305920539 TCL: Center of mass = 16.9244145839 0.97089929506 -2.18306395761 TCL: Center of mass = 16.9277513215 0.97067695574 -2.18306829066 TCL: Center of mass = 16.9310899571 0.970456280125 -2.1830706551 TCL: Center of mass = 16.9344368818 0.970225612967 -2.18308236784 TCL: Center of mass = 16.9377868213 0.969995579093 -2.18308916672 TCL: Center of mass = 16.9411517319 0.96976918656 -2.18309904917 TCL: Center of mass = 16.9445189567 0.969541674049 -2.18311014304 TCL: Center of mass = 16.9478675041 0.969321153603 -2.18310888479 TCL: Center of mass = 16.9512260003 0.969100056439 -2.18312168971 TCL: Center of mass = 16.9546033736 0.968875865984 -2.18313743314 TCL: Center of mass = 16.9579810054 0.968665582379 -2.18315075876 TCL: Center of mass = 16.9613577344 0.968452513916 -2.18315918193 TCL: Center of mass = 16.9647363454 0.968239401389 -2.18316826454 TCL: Center of mass = 16.9681308962 0.968005761686 -2.18318166219 TCL: Center of mass = 16.9715227181 0.967754216041 -2.18319503749 TCL: Center of mass = 16.9749211728 0.96751143469 -2.18320957364 TCL: Center of mass = 16.9783162805 0.967267888257 -2.18322477135 TIMING: 6500 CPU: 543.933, 0.085397/step Wall: 665.668, 0.104779/step, 0.39292 hours remaining, 21296 kB of memory in use. ENERGY: 6500 396.3852 703.0152 412.5536 47.0377 -2782.0883 -216.9985 0.0000 0.0000 1156.3834 -283.7116 315.1468 -275.2277 -274.8873 313.4734 672.8084 360.2796 64000.0000 431.4476 433.8347 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 = 16.9817121643 0.967031504887 -2.1832416046 TCL: Center of mass = 16.9851071102 0.966798134167 -2.18325907675 TCL: Center of mass = 16.9884996727 0.966571205874 -2.18327927185 TCL: Center of mass = 16.9918947481 0.966333172075 -2.18330331676 TCL: Center of mass = 16.9952980708 0.966094637599 -2.18332770879 TCL: Center of mass = 16.9986947736 0.965855278262 -2.18336431708 TCL: Center of mass = 17.0020993208 0.965612097178 -2.18340583352 TCL: Center of mass = 17.0054831102 0.965361906817 -2.18344797861 TCL: Center of mass = 17.0088618139 0.965100215425 -2.18349114057 TCL: Center of mass = 17.0122439461 0.964837392926 -2.18353258 TCL: Center of mass = 17.0156273367 0.964565362728 -2.18357227548 TCL: Center of mass = 17.0190141631 0.964294188747 -2.18360464758 TCL: Center of mass = 17.0224075406 0.964030216207 -2.18364018788 TCL: Center of mass = 17.0257931504 0.963768043875 -2.18368084033 TCL: Center of mass = 17.0291820226 0.963510320041 -2.18372141416 TCL: Center of mass = 17.0325727326 0.963246794642 -2.18376851034 TCL: Center of mass = 17.03596547 0.962978838306 -2.18382851117 TCL: Center of mass = 17.0393631288 0.962709027779 -2.1838853997 TCL: Center of mass = 17.0427366086 0.962435075068 -2.18394122675 TCL: Center of mass = 17.0461183578 0.962168269374 -2.18398860187 TCL: Center of mass = 17.0495213414 0.961915622031 -2.18404382643 TCL: Center of mass = 17.0529275755 0.961660220706 -2.18408808407 TCL: Center of mass = 17.0563364173 0.961401716318 -2.18414607579 TCL: Center of mass = 17.0597428783 0.961146509719 -2.18420242287 TCL: Center of mass = 17.0631572454 0.960886827249 -2.18426486909 TCL: Center of mass = 17.0665785753 0.960625812267 -2.18433350965 TCL: Center of mass = 17.0699928807 0.96036582526 -2.18439906762 TCL: Center of mass = 17.0734054338 0.960109196059 -2.18447363802 TCL: Center of mass = 17.0768234087 0.959869641386 -2.18455680402 TCL: Center of mass = 17.0802420817 0.959633049481 -2.18463187421 TCL: Center of mass = 17.0836542876 0.959400952753 -2.18470513937 TCL: Center of mass = 17.0870545843 0.959177895094 -2.18478684602 TCL: Center of mass = 17.090445269 0.958950779342 -2.18486322326 TCL: Center of mass = 17.0938349736 0.958717500785 -2.1849485442 TCL: Center of mass = 17.09722246 0.958494057683 -2.18503593663 TCL: Center of mass = 17.1006038971 0.958279745983 -2.18513326925 TCL: Center of mass = 17.1039997796 0.958072772774 -2.18523039418 TCL: Center of mass = 17.1073950017 0.957873840059 -2.18532540181 TCL: Center of mass = 17.1107830664 0.957684065545 -2.18543045342 TCL: Center of mass = 17.1141714865 0.957506944303 -2.18553802621 TCL: Center of mass = 17.1175585793 0.957333248302 -2.18565247156 TCL: Center of mass = 17.1209530239 0.957160461073 -2.18577306133 TCL: Center of mass = 17.1243590109 0.956993609968 -2.18589745534 TCL: Center of mass = 17.1277737613 0.956825918576 -2.18601789631 TCL: Center of mass = 17.1311762891 0.956663101011 -2.18615045109 TCL: Center of mass = 17.1345657498 0.956502498268 -2.18627624877 TCL: Center of mass = 17.1379557188 0.956342302075 -2.18641253077 TCL: Center of mass = 17.1413512382 0.956186975155 -2.18655594318 TCL: Center of mass = 17.1447440743 0.95603184529 -2.18670459489 TCL: Center of mass = 17.1481421518 0.955865654722 -2.18684693201 TCL: Center of mass = 17.1515396374 0.955706894986 -2.18698552643 TCL: Center of mass = 17.1549308836 0.955552653839 -2.18712816698 TCL: Center of mass = 17.1583268598 0.955395678706 -2.18726758022 TCL: Center of mass = 17.1617256902 0.955245515582 -2.18740583562 TCL: Center of mass = 17.1651197617 0.955091191714 -2.18753443108 TCL: Center of mass = 17.1685152784 0.954928390509 -2.187661698 TCL: Center of mass = 17.1719035598 0.954772214437 -2.1877734936 TCL: Center of mass = 17.1752876327 0.954621541924 -2.18788196033 TCL: Center of mass = 17.1786659411 0.95448182589 -2.18797244857 TCL: Center of mass = 17.1820542228 0.954348909598 -2.18806611662 TCL: Center of mass = 17.1854406729 0.954209411272 -2.18815335783 TCL: Center of mass = 17.1888266923 0.95405940621 -2.188237661 TCL: Center of mass = 17.1922318069 0.953920818365 -2.18831903324 TCL: Center of mass = 17.1956450849 0.953783492006 -2.18839925667 TCL: Center of mass = 17.1990502438 0.953650006922 -2.1884681739 TCL: Center of mass = 17.2024503649 0.953506978595 -2.18853927397 TCL: Center of mass = 17.205842999 0.95336753391 -2.18861325253 TCL: Center of mass = 17.2092335604 0.953234089013 -2.18868822565 TCL: Center of mass = 17.2126269475 0.953106325455 -2.18877153821 TCL: Center of mass = 17.2160154705 0.952981178273 -2.18885689161 TCL: Center of mass = 17.2193942275 0.952859107856 -2.1889561958 TCL: Center of mass = 17.2227833743 0.952747674649 -2.18904917602 TCL: Center of mass = 17.2261665208 0.952630751716 -2.18915902624 TCL: Center of mass = 17.229552608 0.952510413208 -2.18927973048 TCL: Center of mass = 17.2329417439 0.952378655695 -2.1894004945 TCL: Center of mass = 17.2363292405 0.952253374053 -2.18952205236 TCL: Center of mass = 17.2397078496 0.952132777198 -2.1896425278 TCL: Center of mass = 17.2430919286 0.952016122179 -2.18976827298 TCL: Center of mass = 17.2464648094 0.951904483285 -2.18989409753 TCL: Center of mass = 17.2498352444 0.951797253955 -2.19001143344 TCL: Center of mass = 17.2532064722 0.951697724386 -2.19014122577 TCL: Center of mass = 17.2565806507 0.951595580328 -2.19026748607 TCL: Center of mass = 17.259940058 0.951477644709 -2.19039462593 TCL: Center of mass = 17.2632958839 0.951365258692 -2.19052816287 TCL: Center of mass = 17.2666598848 0.9512457295 -2.19066022266 TCL: Center of mass = 17.270029776 0.951127578121 -2.19080463029 TCL: Center of mass = 17.2733933436 0.95100174835 -2.19094457134 TCL: Center of mass = 17.2767724278 0.950871839976 -2.19109420888 TCL: Center of mass = 17.2801592243 0.95074978962 -2.19125309894 TCL: Center of mass = 17.2835266978 0.95064348908 -2.19140699385 TCL: Center of mass = 17.2868916282 0.950536844848 -2.19156091553 TCL: Center of mass = 17.2902571451 0.950432044177 -2.19171987092 TCL: Center of mass = 17.2936057172 0.950324549557 -2.19188583137 TCL: Center of mass = 17.2969485395 0.950209384737 -2.19205065319 TCL: Center of mass = 17.3002901129 0.950076803543 -2.19221748802 TCL: Center of mass = 17.3036389006 0.949948906072 -2.19238989836 TCL: Center of mass = 17.3069880943 0.949820160785 -2.192555134 TCL: Center of mass = 17.3103433242 0.949689224288 -2.19272729291 TCL: Center of mass = 17.3136968497 0.949554764612 -2.19289517218 TCL: Center of mass = 17.3170468927 0.949423002146 -2.19304988294 TIMING: 6600 CPU: 552.447, 0.0851371/step Wall: 676.113, 0.104456/step, 0.388808 hours remaining, 21330 kB of memory in use. ENERGY: 6600 381.5431 677.8284 428.9122 47.0051 -2807.6638 -207.2588 0.0000 0.0000 1189.1956 -290.4382 324.0891 -282.4265 -280.0491 314.0606 745.0640 595.6965 64000.0000 638.3221 633.8513 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 = 17.3204073866 0.949301248626 -2.19320169446 TCL: Center of mass = 17.3237628525 0.949183956685 -2.19335697187 TCL: Center of mass = 17.3271188147 0.949064603076 -2.19350935427 TCL: Center of mass = 17.3304688662 0.948943940322 -2.19365507768 TCL: Center of mass = 17.3338137043 0.948833469147 -2.19380009698 TCL: Center of mass = 17.3371694816 0.94871760734 -2.19394631496 TCL: Center of mass = 17.3405228223 0.948601351097 -2.19409485903 TCL: Center of mass = 17.3438644999 0.948491385723 -2.19425609784 TCL: Center of mass = 17.3472061431 0.948381319025 -2.19442137597 TCL: Center of mass = 17.3505517031 0.948277491321 -2.19457944212 TCL: Center of mass = 17.3538902262 0.948167295239 -2.19472783842 TCL: Center of mass = 17.3572388803 0.948042211926 -2.19487891203 TCL: Center of mass = 17.3605866495 0.947894206174 -2.19503730857 TCL: Center of mass = 17.3639356708 0.947754632287 -2.19519603254 TCL: Center of mass = 17.3672781675 0.947615788772 -2.1953481254 TCL: Center of mass = 17.3706274033 0.947466731911 -2.19550168364 TCL: Center of mass = 17.3739706845 0.947302981275 -2.19565540596 TCL: Center of mass = 17.3773215187 0.947134305645 -2.19582332788 TCL: Center of mass = 17.3806669857 0.946976759143 -2.19599383806 TCL: Center of mass = 17.3840079133 0.946810578103 -2.19615785478 TCL: Center of mass = 17.387350465 0.94664203737 -2.19632233637 TCL: Center of mass = 17.3906943289 0.94648047146 -2.19648090532 TCL: Center of mass = 17.3940320445 0.946311443498 -2.19663458616 TCL: Center of mass = 17.3973733493 0.946149578819 -2.19680114756 TCL: Center of mass = 17.4007073208 0.945979173686 -2.19697136492 TCL: Center of mass = 17.4040506765 0.945805413865 -2.1971373501 TCL: Center of mass = 17.4074006903 0.945632065427 -2.1972998623 TCL: Center of mass = 17.4107470154 0.945457048375 -2.19744358698 TCL: Center of mass = 17.41409614 0.945279510911 -2.19759206065 TCL: Center of mass = 17.4174555874 0.945095588843 -2.19775278835 TCL: Center of mass = 17.4208198858 0.944919352826 -2.19791185131 TCL: Center of mass = 17.4241773199 0.944734444632 -2.19806941534 TCL: Center of mass = 17.4275373148 0.944550745618 -2.19822053042 TCL: Center of mass = 17.4308977575 0.944365628775 -2.19837104006 TCL: Center of mass = 17.4342630478 0.944183758259 -2.19851640084 TCL: Center of mass = 17.4376302749 0.944006486711 -2.19866039585 TCL: Center of mass = 17.4410027745 0.94384108767 -2.19881861018 TCL: Center of mass = 17.444365425 0.94366782034 -2.19897123857 TCL: Center of mass = 17.4477237147 0.943491201614 -2.19913149345 TCL: Center of mass = 17.4510750316 0.943307180621 -2.19930092766 TCL: Center of mass = 17.4544097173 0.943135190411 -2.19945465593 TCL: Center of mass = 17.4577471159 0.942960828312 -2.19961023929 TCL: Center of mass = 17.4610719499 0.942794181934 -2.19976286264 TCL: Center of mass = 17.4644002096 0.942634631892 -2.19991221972 TCL: Center of mass = 17.4677206541 0.942474221927 -2.20005235132 TCL: Center of mass = 17.471048101 0.942311492981 -2.20018596568 TCL: Center of mass = 17.4743839172 0.942148045163 -2.20033250873 TCL: Center of mass = 17.4777238243 0.941987446649 -2.20047600836 TCL: Center of mass = 17.4810533598 0.941834431169 -2.20060981116 TCL: Center of mass = 17.4843812614 0.941680264059 -2.20074375061 TCL: Center of mass = 17.4877103108 0.941528637275 -2.20087468435 TCL: Center of mass = 17.4910414534 0.941385180914 -2.20101416796 TCL: Center of mass = 17.4943782949 0.941229208565 -2.2011428443 TCL: Center of mass = 17.4977097022 0.941074964117 -2.20127988469 TCL: Center of mass = 17.5010348937 0.94091345942 -2.2014125776 TCL: Center of mass = 17.5043649331 0.940754037693 -2.20153750253 TCL: Center of mass = 17.5076977417 0.940592522851 -2.2016592107 TCL: Center of mass = 17.511032561 0.940430013964 -2.20178900568 TCL: Center of mass = 17.51435283 0.940262186157 -2.20192110975 TCL: Center of mass = 17.5176636301 0.940083083696 -2.20205330852 TCL: Center of mass = 17.5209775291 0.939895511585 -2.20219715057 TCL: Center of mass = 17.5242856782 0.939706658598 -2.20233555156 TCL: Center of mass = 17.5275883703 0.939517861918 -2.20246804338 TCL: Center of mass = 17.5308947467 0.939324486184 -2.20260062331 TCL: Center of mass = 17.5342035883 0.939119461331 -2.20272127478 TCL: Center of mass = 17.5375210846 0.938915816165 -2.20283665057 TCL: Center of mass = 17.5408475025 0.938728344906 -2.20294568726 TCL: Center of mass = 17.5441792142 0.938540805241 -2.20305874809 TCL: Center of mass = 17.5475157849 0.93834483673 -2.20315629875 TCL: Center of mass = 17.5508403106 0.938143587819 -2.20324538419 TCL: Center of mass = 17.554167898 0.937946487246 -2.20333944172 TCL: Center of mass = 17.5575069648 0.937735972467 -2.20343182378 TCL: Center of mass = 17.56085092 0.937532974542 -2.20351709859 TCL: Center of mass = 17.5641910416 0.937317794409 -2.20360515281 TCL: Center of mass = 17.5675407346 0.937096702194 -2.20369863633 TCL: Center of mass = 17.5708865846 0.936885518338 -2.2037796627 TCL: Center of mass = 17.5742296964 0.936664275733 -2.20386157638 TCL: Center of mass = 17.5775661552 0.936442530197 -2.20393317429 TCL: Center of mass = 17.5809029295 0.936221132096 -2.20399914437 TCL: Center of mass = 17.5842331552 0.935999262351 -2.20406660966 TCL: Center of mass = 17.5875590756 0.935778101354 -2.20413592793 TCL: Center of mass = 17.5908846823 0.935554865787 -2.20419856719 TCL: Center of mass = 17.5942154027 0.935325424681 -2.20426143359 TCL: Center of mass = 17.5975414076 0.935093629868 -2.20431728277 TCL: Center of mass = 17.6008633108 0.934856914039 -2.20436723522 TCL: Center of mass = 17.6041947806 0.934625893829 -2.20440686359 TCL: Center of mass = 17.6075203929 0.9344129469 -2.20443959601 TCL: Center of mass = 17.6108454797 0.934211669349 -2.2044716758 TCL: Center of mass = 17.6141631866 0.934021091984 -2.20451401967 TCL: Center of mass = 17.6174856634 0.933824598026 -2.20455083458 TCL: Center of mass = 17.6207997214 0.933626670522 -2.20459489959 TCL: Center of mass = 17.6241181268 0.933426274407 -2.20462638158 TCL: Center of mass = 17.6274228779 0.933223478143 -2.20465017094 TCL: Center of mass = 17.6307251188 0.933025917913 -2.20467031823 TCL: Center of mass = 17.6340337523 0.932835175867 -2.20469521036 TCL: Center of mass = 17.6373311216 0.932647123367 -2.20471095875 TCL: Center of mass = 17.640637237 0.932468915818 -2.20472798664 TCL: Center of mass = 17.6439445357 0.932293414415 -2.20475745376 TCL: Center of mass = 17.6472458748 0.932111620643 -2.20479146876 TCL: Center of mass = 17.6505485181 0.931940401806 -2.20481905135 TIMING: 6700 CPU: 561.025, 0.085777/step Wall: 686.636, 0.105226/step, 0.38875 hours remaining, 21368 kB of memory in use. ENERGY: 6700 411.4517 709.5947 409.5719 47.1466 -2808.0746 -209.9118 0.0000 0.0000 1138.4505 -301.7710 310.2596 -293.6612 -291.5293 317.6069 597.4397 498.9436 64000.0000 498.5089 492.7739 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 = 17.6538514695 0.93176011009 -2.20484632762 TCL: Center of mass = 17.6571514156 0.931574970221 -2.20487012844 TCL: Center of mass = 17.6604518239 0.931380668453 -2.20489643813 TCL: Center of mass = 17.6637422955 0.931189328416 -2.20492321285 TCL: Center of mass = 17.6670361853 0.931009982879 -2.20496259549 TCL: Center of mass = 17.6703276973 0.930840811911 -2.20500996394 TCL: Center of mass = 17.6736175652 0.930687613443 -2.20505295658 TCL: Center of mass = 17.6769018037 0.930534864507 -2.20509765045 TCL: Center of mass = 17.6801864587 0.930387913581 -2.20516037648 TCL: Center of mass = 17.6834791459 0.930233591169 -2.20522268692 TCL: Center of mass = 17.686773872 0.930079576958 -2.20528859553 TCL: Center of mass = 17.6900652681 0.929933027331 -2.20534846259 TCL: Center of mass = 17.6933579485 0.929789103236 -2.20541550301 TCL: Center of mass = 17.6966567125 0.929636152484 -2.20548146568 TCL: Center of mass = 17.6999641477 0.929491971172 -2.20556539359 TCL: Center of mass = 17.7032676569 0.929350376209 -2.20565517926 TCL: Center of mass = 17.7065758464 0.929213432122 -2.20575112888 TCL: Center of mass = 17.7098770339 0.929075664606 -2.20585444629 TCL: Center of mass = 17.7131601869 0.928929551439 -2.2059549548 TCL: Center of mass = 17.7164521291 0.928784520847 -2.20605560067 TCL: Center of mass = 17.7197470931 0.928647492089 -2.20614944763 TCL: Center of mass = 17.7230414035 0.928513269486 -2.20624863265 TCL: Center of mass = 17.7263262547 0.928375692563 -2.20634758191 TCL: Center of mass = 17.7296099794 0.928256446705 -2.20644940869 TCL: Center of mass = 17.7328937624 0.928138796082 -2.20655927376 TCL: Center of mass = 17.7361715468 0.928012838119 -2.2066660564 TCL: Center of mass = 17.7394566935 0.927883612075 -2.20676510506 TCL: Center of mass = 17.7427341227 0.927750943562 -2.20685702251 TCL: Center of mass = 17.7460096237 0.927613118117 -2.20696523621 TCL: Center of mass = 17.7492836085 0.927477666227 -2.20707646151 TCL: Center of mass = 17.7525627266 0.927339004729 -2.20718226305 TCL: Center of mass = 17.7558472411 0.927205508259 -2.20728938799 TCL: Center of mass = 17.7591331329 0.927068844934 -2.20739972535 TCL: Center of mass = 17.762410761 0.926927704033 -2.20751384486 TCL: Center of mass = 17.7656855332 0.926783301136 -2.20763410037 TCL: Center of mass = 17.768963474 0.926648525076 -2.20777180281 TCL: Center of mass = 17.7722324231 0.926512199452 -2.20790738233 TCL: Center of mass = 17.7754941827 0.92637708753 -2.20805589262 TCL: Center of mass = 17.7787472412 0.926245138322 -2.20820786426 TCL: Center of mass = 17.7819959277 0.926105666566 -2.2083533946 TCL: Center of mass = 17.7852373872 0.925966048425 -2.2085117773 TCL: Center of mass = 17.7884872348 0.925822968662 -2.20866173873 TCL: Center of mass = 17.7917405026 0.925673622987 -2.2088068037 TCL: Center of mass = 17.7949846908 0.92553169637 -2.20895520316 TCL: Center of mass = 17.7982350597 0.925395840847 -2.2090901456 TCL: Center of mass = 17.8014958723 0.925249645479 -2.20922642947 TCL: Center of mass = 17.8047543123 0.925104626076 -2.20935236911 TCL: Center of mass = 17.8080039443 0.924953275706 -2.20946917499 TCL: Center of mass = 17.8112475793 0.924798956663 -2.20958978255 TCL: Center of mass = 17.8144924891 0.924649328695 -2.20971361812 TCL: Center of mass = 17.817744144 0.924500608648 -2.20982585408 TCL: Center of mass = 17.8210008952 0.924348363913 -2.20993622975 TCL: Center of mass = 17.8242578004 0.924196032696 -2.21003789644 TCL: Center of mass = 17.827503199 0.924036627315 -2.21014173843 TCL: Center of mass = 17.8307474473 0.923887650354 -2.21024291801 TCL: Center of mass = 17.8339987594 0.923743399999 -2.2103480247 TCL: Center of mass = 17.837249897 0.923603706571 -2.21046608058 TCL: Center of mass = 17.8405041108 0.923470171539 -2.21057693791 TCL: Center of mass = 17.8437609185 0.92332789256 -2.21069400053 TCL: Center of mass = 17.8470144366 0.923181206388 -2.21080668785 TCL: Center of mass = 17.8502673378 0.923035620028 -2.21091972622 TCL: Center of mass = 17.8535215672 0.922897159389 -2.21103870097 TCL: Center of mass = 17.8567805355 0.922758765473 -2.21116706667 TCL: Center of mass = 17.8600525077 0.922619852424 -2.21128523442 TCL: Center of mass = 17.863327807 0.922483378441 -2.21140310304 TCL: Center of mass = 17.8666085595 0.922350324578 -2.21152033767 TCL: Center of mass = 17.8698943669 0.922212726856 -2.21163479261 TCL: Center of mass = 17.8731671215 0.922070870392 -2.21175544692 TCL: Center of mass = 17.8764396813 0.921927313932 -2.21185886271 TCL: Center of mass = 17.879700436 0.921783322626 -2.21196347367 TCL: Center of mass = 17.8829572873 0.921644544948 -2.21206362314 TCL: Center of mass = 17.8862240609 0.921496871095 -2.21216520575 TCL: Center of mass = 17.8894833075 0.921353088212 -2.21226223168 TCL: Center of mass = 17.8927441618 0.921208513007 -2.21236770327 TCL: Center of mass = 17.8960006216 0.921052308139 -2.2124730831 TCL: Center of mass = 17.8992558748 0.920893440146 -2.21258075266 TCL: Center of mass = 17.9025175619 0.920740344655 -2.21268187227 TCL: Center of mass = 17.9057882863 0.920594081737 -2.21279256003 TCL: Center of mass = 17.9090711143 0.920446283397 -2.21290705475 TCL: Center of mass = 17.9123706738 0.920284003708 -2.213026116 TCL: Center of mass = 17.9156670439 0.920120104115 -2.21314178735 TCL: Center of mass = 17.9189479862 0.919967490646 -2.21324412536 TCL: Center of mass = 17.9222279179 0.919805315503 -2.2133493922 TCL: Center of mass = 17.9255076036 0.919646004605 -2.21346019865 TCL: Center of mass = 17.9287803803 0.919490672169 -2.21355944327 TCL: Center of mass = 17.932042933 0.919335035439 -2.21366900045 TCL: Center of mass = 17.9353088082 0.919183387139 -2.21377539176 TCL: Center of mass = 17.9385743295 0.919029976277 -2.21387898251 TCL: Center of mass = 17.9418458101 0.918881566513 -2.21398611123 TCL: Center of mass = 17.945117753 0.918735413463 -2.21410553813 TCL: Center of mass = 17.9483898865 0.918581063457 -2.21422821684 TCL: Center of mass = 17.9516652827 0.918428106565 -2.21435171117 TCL: Center of mass = 17.9549474506 0.918280491891 -2.21447893622 TCL: Center of mass = 17.9582198375 0.918119537748 -2.21460860997 TCL: Center of mass = 17.9614893428 0.917968177102 -2.2147385239 TCL: Center of mass = 17.9647466596 0.917824451744 -2.21487115118 TCL: Center of mass = 17.9680060886 0.917693272571 -2.21500931322 TCL: Center of mass = 17.9712599447 0.917558298969 -2.21514473451 TCL: Center of mass = 17.9745137068 0.917419891171 -2.21528339811 TCL: Center of mass = 17.9777684584 0.917282460985 -2.21542414456 TIMING: 6800 CPU: 569.532, 0.0850771/step Wall: 697.084, 0.10448/step, 0.383094 hours remaining, 21479 kB of memory in use. ENERGY: 6800 400.1142 710.7847 418.2105 44.8454 -2802.7418 -222.8379 0.0000 0.0000 1144.8240 -306.8009 311.9966 -298.8513 -296.6049 310.1520 37.8169 3.0223 64000.0000 410.8570 420.6035 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 = 17.9810299099 0.91713788603 -2.21556736543 TCL: Center of mass = 17.9842883303 0.916995480384 -2.21570647294 TCL: Center of mass = 17.9875548534 0.916855343194 -2.21584064908 TCL: Center of mass = 17.9908323944 0.916711434802 -2.21597245932 TCL: Center of mass = 17.9941051545 0.916568822075 -2.21610793768 TCL: Center of mass = 17.9973776758 0.916422741954 -2.2162425675 TCL: Center of mass = 18.0006440276 0.916290889329 -2.21636919591 TCL: Center of mass = 18.0039092002 0.916155529792 -2.2164956893 TCL: Center of mass = 18.0071804384 0.916019959567 -2.21662629321 TCL: Center of mass = 18.0104287999 0.915890264266 -2.21676165952 TCL: Center of mass = 18.013671956 0.915770153337 -2.21689181501 TCL: Center of mass = 18.0169108571 0.915659559583 -2.21702046121 TCL: Center of mass = 18.0201367813 0.915524210036 -2.21715260889 TCL: Center of mass = 18.023365708 0.915370629615 -2.21728970819 TCL: Center of mass = 18.0266010753 0.915212185591 -2.21742971594 TCL: Center of mass = 18.0298199427 0.915066396148 -2.21755947646 TCL: Center of mass = 18.0330399508 0.914924120597 -2.21768422781 TCL: Center of mass = 18.0362584945 0.914778477157 -2.21781229465 TCL: Center of mass = 18.0394694515 0.914621187331 -2.2179464147 TCL: Center of mass = 18.0426752811 0.914457345421 -2.21809216479 TCL: Center of mass = 18.0458880326 0.914285495697 -2.21822898665 TCL: Center of mass = 18.0490903325 0.914105724015 -2.21836170523 TCL: Center of mass = 18.0522949723 0.913926840003 -2.21849919853 TCL: Center of mass = 18.0554994023 0.913760460691 -2.21862853723 TCL: Center of mass = 18.0586971151 0.913608365564 -2.21875858586 TCL: Center of mass = 18.0618948337 0.913468682157 -2.21888706181 TCL: Center of mass = 18.0650932425 0.913335770264 -2.21900777863 TCL: Center of mass = 18.0682844388 0.913197638359 -2.21913113505 TCL: Center of mass = 18.0714687644 0.913064890173 -2.2192616161 TCL: Center of mass = 18.0746433947 0.912943150501 -2.21939525841 TCL: Center of mass = 18.0778231258 0.912812032095 -2.21952814522 TCL: Center of mass = 18.0810005927 0.912688461114 -2.21965727922 TCL: Center of mass = 18.0841777147 0.912562161798 -2.21978590475 TCL: Center of mass = 18.0873504351 0.912425708073 -2.21992393197 TCL: Center of mass = 18.0905175634 0.912297377874 -2.22007133347 TCL: Center of mass = 18.0936814338 0.912164768365 -2.22021688663 TCL: Center of mass = 18.0968386794 0.912042390203 -2.22035562269 TCL: Center of mass = 18.099978447 0.911926473211 -2.22049604239 TCL: Center of mass = 18.1031297838 0.911807075814 -2.22064484865 TCL: Center of mass = 18.1062873112 0.91167902192 -2.22077984962 TCL: Center of mass = 18.1094388752 0.911550995556 -2.22090747112 TCL: Center of mass = 18.1125865774 0.911425587214 -2.2210278608 TCL: Center of mass = 18.1157307839 0.911297916362 -2.22115317809 TCL: Center of mass = 18.1188840198 0.91116626007 -2.22128161451 TCL: Center of mass = 18.1220348396 0.911033653416 -2.22140403741 TCL: Center of mass = 18.1251878661 0.910899847581 -2.22152745289 TCL: Center of mass = 18.1283442345 0.910764343797 -2.22166169111 TCL: Center of mass = 18.1315079173 0.91063272084 -2.22179611057 TCL: Center of mass = 18.1346839099 0.910503309082 -2.22192983014 TCL: Center of mass = 18.1378589049 0.910379558792 -2.22205133135 TCL: Center of mass = 18.1410257762 0.910255702933 -2.22217637387 TCL: Center of mass = 18.1441885236 0.910138074221 -2.22230393704 TCL: Center of mass = 18.1473623096 0.910014376663 -2.22242840198 TCL: Center of mass = 18.1505307848 0.909890612997 -2.22255625067 TCL: Center of mass = 18.1536974928 0.909773945524 -2.22267733554 TCL: Center of mass = 18.1568670909 0.909649648676 -2.22280641173 TCL: Center of mass = 18.1600400718 0.909520079918 -2.22293387044 TCL: Center of mass = 18.1632152342 0.909390494165 -2.22307058154 TCL: Center of mass = 18.1663860922 0.909268581461 -2.2232116288 TCL: Center of mass = 18.1695624747 0.909151268294 -2.22333765827 TCL: Center of mass = 18.1727443335 0.909028102319 -2.22346924039 TCL: Center of mass = 18.1759226898 0.908899741449 -2.22359323306 TCL: Center of mass = 18.1790953481 0.908767840219 -2.22371756277 TCL: Center of mass = 18.1822678979 0.908637814725 -2.22384507233 TCL: Center of mass = 18.1854367303 0.908508976936 -2.22397292091 TCL: Center of mass = 18.1885965332 0.908374443682 -2.22408726904 TCL: Center of mass = 18.1917448021 0.908241956707 -2.22419869286 TCL: Center of mass = 18.1948898057 0.908108992072 -2.22431090604 TCL: Center of mass = 18.1980418095 0.907967190447 -2.22442983281 TCL: Center of mass = 18.2011835193 0.907814466346 -2.224546056 TCL: Center of mass = 18.2043199241 0.907664910343 -2.22465378011 TCL: Center of mass = 18.2074449532 0.907521987839 -2.22476349738 TCL: Center of mass = 18.2105583965 0.907377108123 -2.22488013988 TCL: Center of mass = 18.2136831521 0.907227202709 -2.22499341686 TCL: Center of mass = 18.2168099643 0.907083356525 -2.22510809702 TCL: Center of mass = 18.219936768 0.906955045049 -2.22522718821 TCL: Center of mass = 18.2230501032 0.906834468366 -2.22534213627 TCL: Center of mass = 18.2261749543 0.906714110259 -2.22545785442 TCL: Center of mass = 18.2293096753 0.906597261653 -2.22556711131 TCL: Center of mass = 18.2324473132 0.906490310229 -2.2256820442 TCL: Center of mass = 18.2355639404 0.906392155435 -2.22578952147 TCL: Center of mass = 18.2386787498 0.906292882021 -2.22589810795 TCL: Center of mass = 18.2417915591 0.906193814989 -2.22600266083 TCL: Center of mass = 18.2449001514 0.906098450404 -2.22610170879 TCL: Center of mass = 18.2479987306 0.90600286831 -2.22620214218 TCL: Center of mass = 18.2510961924 0.905915284915 -2.22630728818 TCL: Center of mass = 18.2542009794 0.905823313227 -2.22641486531 TCL: Center of mass = 18.257299984 0.905724364949 -2.22652508763 TCL: Center of mass = 18.2604006404 0.905614634604 -2.22664150954 TCL: Center of mass = 18.2635073433 0.905517073845 -2.2267574248 TCL: Center of mass = 18.2666155831 0.905417250251 -2.2268741376 TCL: Center of mass = 18.2697095779 0.905310074152 -2.22698454422 TCL: Center of mass = 18.2727940681 0.905198263389 -2.22707190957 TCL: Center of mass = 18.2758791518 0.905080076987 -2.22717027599 TCL: Center of mass = 18.2789743591 0.904954050639 -2.22726821386 TCL: Center of mass = 18.2820648854 0.904831755075 -2.22736734411 TCL: Center of mass = 18.2851530936 0.90471484475 -2.22745428822 TCL: Center of mass = 18.2882343127 0.904616189562 -2.22753558437 TCL: Center of mass = 18.291311755 0.904518560119 -2.22762241757 TCL: Center of mass = 18.2943835967 0.904432263968 -2.22771077973 TIMING: 6900 CPU: 578.131, 0.0859869/step Wall: 707.625, 0.10541/step, 0.383577 hours remaining, 21490 kB of memory in use. ENERGY: 6900 392.1007 671.2441 413.1781 43.4535 -2758.9276 -224.1175 0.0000 0.0000 1155.6813 -307.3875 314.9555 -298.6570 -299.0853 311.3360 622.1677 675.4633 64000.0000 382.2712 384.9156 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 = 18.2974605378 0.904337887311 -2.22779439868 TCL: Center of mass = 18.3005312512 0.904254015617 -2.22788316545 TCL: Center of mass = 18.3036076341 0.904170007365 -2.22797403957 TCL: Center of mass = 18.3066767702 0.904074803241 -2.22804774635 TCL: Center of mass = 18.3097511244 0.903977396269 -2.22812035916 TCL: Center of mass = 18.3128322154 0.903881416088 -2.22820511743 TCL: Center of mass = 18.3159185414 0.903781419088 -2.22829365472 TCL: Center of mass = 18.3190197392 0.903681061513 -2.22838692525 TCL: Center of mass = 18.3221299863 0.903572136809 -2.22848022295 TCL: Center of mass = 18.3252513617 0.903467216313 -2.22856943027 TCL: Center of mass = 18.3283722051 0.903362877944 -2.22865250708 TCL: Center of mass = 18.3314892083 0.903259535879 -2.22874210225 TCL: Center of mass = 18.3346047385 0.903173448453 -2.22883284779 TCL: Center of mass = 18.3377199202 0.903107037979 -2.22893355626 TCL: Center of mass = 18.3408266864 0.90304607571 -2.22902406782 TCL: Center of mass = 18.343927069 0.90297779459 -2.22911896538 TCL: Center of mass = 18.3470326134 0.902915653098 -2.22921514383 TCL: Center of mass = 18.3501365944 0.902848556305 -2.22931124138 TCL: Center of mass = 18.3532324336 0.902781448591 -2.22940364659 TCL: Center of mass = 18.356336585 0.902699468725 -2.22949312105 TCL: Center of mass = 18.3594456667 0.902625378075 -2.22958433244 TCL: Center of mass = 18.362556529 0.902541873229 -2.22967165824 TCL: Center of mass = 18.365671051 0.902449031513 -2.22975964661 TCL: Center of mass = 18.3687930864 0.902350948522 -2.22984304248 TCL: Center of mass = 18.3719072098 0.902252667343 -2.22992253221 TCL: Center of mass = 18.375020041 0.902166877144 -2.23000068816 TCL: Center of mass = 18.3781260984 0.902085756872 -2.23007638388 TCL: Center of mass = 18.381237917 0.90200208937 -2.23016145398 TCL: Center of mass = 18.3843461192 0.901912891208 -2.23023888628 TCL: Center of mass = 18.3874497131 0.901825568715 -2.23032209792 TCL: Center of mass = 18.3905695031 0.901741188745 -2.23042051692 TCL: Center of mass = 18.3936819506 0.901665865833 -2.23050822018 TCL: Center of mass = 18.3967932456 0.901595926637 -2.23059420518 TCL: Center of mass = 18.3998945217 0.901524675174 -2.23068227206 TCL: Center of mass = 18.4030033518 0.90145359038 -2.23076611217 TCL: Center of mass = 18.4061053441 0.901367539327 -2.2308551024 TCL: Center of mass = 18.4092006638 0.901277812778 -2.23095358881 TCL: Center of mass = 18.4122844178 0.901188403183 -2.23105699737 TCL: Center of mass = 18.4153803286 0.901099491595 -2.23116665004 TCL: Center of mass = 18.4184855455 0.901018612409 -2.23127192046 TCL: Center of mass = 18.4215912377 0.900924756961 -2.23138224628 TCL: Center of mass = 18.4246948084 0.900836299293 -2.23150766199 TCL: Center of mass = 18.427794514 0.900742305233 -2.2316393497 TCL: Center of mass = 18.4309067032 0.900654661461 -2.23176047772 TCL: Center of mass = 18.4340224747 0.900564299086 -2.23188336615 TCL: Center of mass = 18.4371308359 0.900465655429 -2.2320078562 TCL: Center of mass = 18.4402441003 0.900370869892 -2.23213481253 TCL: Center of mass = 18.4433610817 0.900291366924 -2.23226536423 TCL: Center of mass = 18.4464720972 0.900212935571 -2.23239413104 TCL: Center of mass = 18.4495834376 0.900141534412 -2.23253063864 TCL: Center of mass = 18.4526987591 0.900075704715 -2.2326623082 TCL: Center of mass = 18.4558195313 0.900014490891 -2.23279077409 TCL: Center of mass = 18.4589491744 0.899951368956 -2.23290903395 TCL: Center of mass = 18.4620795982 0.89988663912 -2.23302760814 TCL: Center of mass = 18.4652225103 0.899820478086 -2.23315344042 TCL: Center of mass = 18.4683696197 0.899743722793 -2.23328500644 TCL: Center of mass = 18.4715325068 0.899662092329 -2.23340852863 TCL: Center of mass = 18.4746992564 0.899587477711 -2.23352930346 TCL: Center of mass = 18.4778572415 0.899508051479 -2.23365843471 TCL: Center of mass = 18.4810109533 0.899421226944 -2.23378487207 TCL: Center of mass = 18.4841615903 0.899327555149 -2.23391458962 TCL: Center of mass = 18.4873135165 0.899209689165 -2.23405560052 TCL: Center of mass = 18.4904759029 0.899097524793 -2.23418717075 TCL: Center of mass = 18.493640761 0.898988921674 -2.23432144797 TCL: Center of mass = 18.496791489 0.898880048729 -2.23446084672 TCL: Center of mass = 18.4999439829 0.898773340346 -2.23460736665 TCL: Center of mass = 18.5030949706 0.898657440039 -2.23475291591 TCL: Center of mass = 18.5062622034 0.898530431172 -2.2349096112 TCL: Center of mass = 18.5094307151 0.898411161186 -2.23506544525 TCL: Center of mass = 18.5126038108 0.898300520078 -2.23521770708 TCL: Center of mass = 18.5157827943 0.898191905682 -2.23535631027 TCL: Center of mass = 18.5189623586 0.898075566901 -2.23549055772 TCL: Center of mass = 18.5221438766 0.897969257957 -2.23562773113 TCL: Center of mass = 18.525329421 0.897861840585 -2.23576277035 TCL: Center of mass = 18.5285057261 0.897753552355 -2.23589628935 TCL: Center of mass = 18.5316934133 0.897652091952 -2.23602708196 TCL: Center of mass = 18.5348775201 0.897552977069 -2.23616815789 TCL: Center of mass = 18.5380576648 0.897453967099 -2.23630663896 TCL: Center of mass = 18.5412429859 0.897357151615 -2.2364522372 TCL: Center of mass = 18.5444230765 0.897272585946 -2.23660534457 TCL: Center of mass = 18.5475855177 0.897187875681 -2.23675698184 TCL: Center of mass = 18.5507539917 0.897087349007 -2.236911453 TCL: Center of mass = 18.5539265222 0.896994448949 -2.23706008031 TCL: Center of mass = 18.5570954975 0.896906644765 -2.23720969554 TCL: Center of mass = 18.560270326 0.89682558697 -2.23735632322 TCL: Center of mass = 18.5634472983 0.896748244259 -2.23749705558 TCL: Center of mass = 18.5666202634 0.896682407493 -2.23762713458 TCL: Center of mass = 18.5697992416 0.89662209384 -2.23775208922 TCL: Center of mass = 18.5729825165 0.896556412661 -2.23788063505 TCL: Center of mass = 18.5761696983 0.896491092931 -2.23801495392 TCL: Center of mass = 18.5793455494 0.896426398517 -2.23815047019 TCL: Center of mass = 18.5825092638 0.896358760149 -2.23828975742 TCL: Center of mass = 18.5856703142 0.896286822213 -2.23842739919 TCL: Center of mass = 18.5888324699 0.896214814408 -2.23854777265 TCL: Center of mass = 18.5919901829 0.896145605275 -2.23866804887 TCL: Center of mass = 18.5951602172 0.896068439603 -2.23878806359 TCL: Center of mass = 18.5983278956 0.895986689565 -2.23890702379 TCL: Center of mass = 18.6014980352 0.895902813785 -2.23902034942 TCL: Center of mass = 18.6046799307 0.895825601113 -2.23913421795 TCL: Center of mass = 18.6078565357 0.895747903423 -2.23924905402 TIMING: 7000 CPU: 586.679, 0.085477/step Wall: 718.114, 0.104895/step, 0.378787 hours remaining, 21513 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 413.6499 686.1628 416.0727 51.3604 -2791.7806 -222.0783 0.0000 0.0000 1122.8371 -323.7760 306.0045 -314.8124 -316.1249 309.7506 973.6463 786.9816 64000.0000 516.7985 515.9529 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 = 18.6110429741 0.895672240225 -2.2393614448 TCL: Center of mass = 18.6142381385 0.895598929391 -2.23946837632 TCL: Center of mass = 18.6174300082 0.895524944885 -2.23957371339 TCL: Center of mass = 18.6206333473 0.895447609393 -2.23968482234 TCL: Center of mass = 18.623842612 0.89536772272 -2.23978752747 TCL: Center of mass = 18.6270529657 0.895291543428 -2.23988893992 TCL: Center of mass = 18.6302535584 0.895211573128 -2.2399937108 TCL: Center of mass = 18.6334545553 0.895132757113 -2.2401014031 TCL: Center of mass = 18.6366616017 0.895056522057 -2.24019325642 TCL: Center of mass = 18.639870299 0.894976222974 -2.24027831153 TCL: Center of mass = 18.6430684189 0.894889446364 -2.2403649462 TCL: Center of mass = 18.6462596579 0.894815061848 -2.24045123818 TCL: Center of mass = 18.649440594 0.89474896307 -2.24052873401 TCL: Center of mass = 18.6526149221 0.894679359779 -2.24061600478 TCL: Center of mass = 18.6557763197 0.894611945283 -2.24070266809 TCL: Center of mass = 18.658937752 0.894537548628 -2.24078583128 TCL: Center of mass = 18.6621033981 0.89446964912 -2.24087533568 TCL: Center of mass = 18.6652695727 0.894398597016 -2.2409640537 TCL: Center of mass = 18.6684506689 0.894319294219 -2.241056916 TCL: Center of mass = 18.6716189733 0.894232616677 -2.24113454356 TCL: Center of mass = 18.6747995664 0.894155096461 -2.24121401824 TCL: Center of mass = 18.677985802 0.89407819544 -2.24128623136 TCL: Center of mass = 18.681172401 0.894003208918 -2.24136466363 TCL: Center of mass = 18.6843633159 0.893927658297 -2.24144866696 TCL: Center of mass = 18.6875648954 0.893856150689 -2.24154217402 TCL: Center of mass = 18.6907655459 0.893790611133 -2.24163083261 TCL: Center of mass = 18.6939707029 0.893723433166 -2.24171477885 TCL: Center of mass = 18.6971613006 0.89366925208 -2.24180734811 TCL: Center of mass = 18.7003551245 0.893626356043 -2.24190263662 TCL: Center of mass = 18.7035537855 0.893574067098 -2.24200853381 TCL: Center of mass = 18.7067507861 0.893523909605 -2.24210877989 TCL: Center of mass = 18.7099533781 0.893468211402 -2.24221085877 TCL: Center of mass = 18.7131653315 0.893411603916 -2.24230833246 TCL: Center of mass = 18.7163725031 0.893354055914 -2.24240598501 TCL: Center of mass = 18.7195674678 0.893298484047 -2.24251634577 TCL: Center of mass = 18.7227528833 0.893243387033 -2.24264783112 TCL: Center of mass = 18.725929355 0.893179788781 -2.24277443328 TCL: Center of mass = 18.7291132039 0.893108455004 -2.24290517807 TCL: Center of mass = 18.7322983189 0.893055710986 -2.24304538809 TCL: Center of mass = 18.7354793002 0.893005201859 -2.24319403579 TCL: Center of mass = 18.7386495404 0.892955923796 -2.24333596999 TCL: Center of mass = 18.7418099902 0.892893508739 -2.24346636653 TCL: Center of mass = 18.7449703733 0.892825972881 -2.24359464706 TCL: Center of mass = 18.7481282965 0.892760903314 -2.24371634992 TCL: Center of mass = 18.7512777275 0.892682311208 -2.24384336179 TCL: Center of mass = 18.7544196431 0.892597643875 -2.2439683959 TCL: Center of mass = 18.7575632114 0.892521703788 -2.24408656277 TCL: Center of mass = 18.7606940016 0.8924441122 -2.24420490747 TCL: Center of mass = 18.7638288426 0.89237728113 -2.24433844725 TCL: Center of mass = 18.7669417644 0.892319592466 -2.24447750238 TCL: Center of mass = 18.7700626592 0.892259352944 -2.24462103361 TCL: Center of mass = 18.7731794353 0.892210677096 -2.24477078741 TCL: Center of mass = 18.776304243 0.89215756746 -2.2449287061 TCL: Center of mass = 18.7794358151 0.89210381955 -2.24509378674 TCL: Center of mass = 18.7825654913 0.892055733874 -2.24526059655 TCL: Center of mass = 18.785692851 0.892011429078 -2.2454218811 TCL: Center of mass = 18.7888131994 0.891952288721 -2.2455864692 TCL: Center of mass = 18.7919371879 0.891896883699 -2.24575450463 TCL: Center of mass = 18.7950558882 0.891851433059 -2.24591929041 TCL: Center of mass = 18.7981773429 0.891803785873 -2.24607088729 TCL: Center of mass = 18.8012994557 0.891750875527 -2.24622935095 TCL: Center of mass = 18.8044196243 0.891695662261 -2.24638909696 TCL: Center of mass = 18.8075276887 0.891640269942 -2.24654930203 TCL: Center of mass = 18.8106455469 0.891576508806 -2.24671513234 TCL: Center of mass = 18.8137599732 0.891510499191 -2.24688023303 TCL: Center of mass = 18.8168710675 0.891431144562 -2.24704507427 TCL: Center of mass = 18.8199742502 0.891346576773 -2.24720138016 TCL: Center of mass = 18.8230775823 0.891266178948 -2.24735804702 TCL: Center of mass = 18.8261637162 0.891191713815 -2.24751937605 TCL: Center of mass = 18.8292317521 0.891112078045 -2.24768233735 TCL: Center of mass = 18.8322857697 0.891025283889 -2.24783819762 TCL: Center of mass = 18.8353436024 0.89092504971 -2.24800881356 TCL: Center of mass = 18.8383928134 0.890819655179 -2.24817141684 TCL: Center of mass = 18.8414339464 0.890720543726 -2.24833774746 TCL: Center of mass = 18.8444704175 0.890621235109 -2.24851609994 TCL: Center of mass = 18.8475196262 0.890521082888 -2.24869219061 TCL: Center of mass = 18.8505789253 0.89042237246 -2.24886455448 TCL: Center of mass = 18.853635428 0.890312953815 -2.24903708593 TCL: Center of mass = 18.8566954518 0.890205697438 -2.2492064728 TCL: Center of mass = 18.859753215 0.890090695387 -2.24938730278 TCL: Center of mass = 18.8628042993 0.889984127484 -2.24957554901 TCL: Center of mass = 18.8658587693 0.889894351825 -2.24976602385 TCL: Center of mass = 18.8689144569 0.889799834417 -2.24997304008 TCL: Center of mass = 18.8719800609 0.889700480643 -2.25018305916 TCL: Center of mass = 18.875053919 0.889597808986 -2.25039662261 TCL: Center of mass = 18.8781428012 0.889492184169 -2.25060812321 TCL: Center of mass = 18.881228092 0.889374124046 -2.25080960353 TCL: Center of mass = 18.8843180888 0.889254654159 -2.25101654646 TCL: Center of mass = 18.8874153384 0.889145417475 -2.25121955532 TCL: Center of mass = 18.8905116507 0.889032405954 -2.25141572205 TCL: Center of mass = 18.8935994185 0.888907638551 -2.25159940075 TCL: Center of mass = 18.896680038 0.888779951207 -2.25178286032 TCL: Center of mass = 18.8997585673 0.888654113372 -2.25195755882 TCL: Center of mass = 18.9028519115 0.888516788453 -2.25213641028 TCL: Center of mass = 18.9059354443 0.888386065316 -2.2523147611 TCL: Center of mass = 18.9090262198 0.888241686372 -2.25248622718 TCL: Center of mass = 18.9121206125 0.888090497355 -2.25265971686 TCL: Center of mass = 18.9152079566 0.887944338662 -2.25282509429 TCL: Center of mass = 18.9183024199 0.887801511305 -2.25298758631 TCL: Center of mass = 18.9213965669 0.887657293732 -2.25313994879 TIMING: 7100 CPU: 595.255, 0.0857569/step Wall: 763.893, 0.457783/step, 1.64039 hours remaining, 21514 kB of memory in use. ENERGY: 7100 409.8133 671.7424 410.5781 44.1407 -2752.5608 -231.2832 0.0000 0.0000 1116.7678 -330.8017 304.3505 -321.4096 -324.5107 307.6329 247.5548 104.7578 64000.0000 286.5204 284.4571 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 = 18.9244943517 0.887506487874 -2.25329781709 TCL: Center of mass = 18.9275911017 0.887359821479 -2.25344622975 TCL: Center of mass = 18.9306949059 0.887209986252 -2.25359638019 TCL: Center of mass = 18.933808186 0.887057498866 -2.25374964558 TCL: Center of mass = 18.9369311447 0.886907621775 -2.2538972105 TCL: Center of mass = 18.9400586451 0.886760449032 -2.25404534373 TCL: Center of mass = 18.9431890379 0.88661446205 -2.25418959666 TCL: Center of mass = 18.9463212947 0.886475201663 -2.25434184302 TCL: Center of mass = 18.9494511062 0.886336575097 -2.25449538346 TCL: Center of mass = 18.9525777733 0.886191317168 -2.25465508754 TCL: Center of mass = 18.9557130012 0.886044735204 -2.25482098232 TCL: Center of mass = 18.9588635013 0.885901055377 -2.25499379096 TCL: Center of mass = 18.9620119165 0.885754904606 -2.25516919565 TCL: Center of mass = 18.9651585853 0.885607029518 -2.2553389856 TCL: Center of mass = 18.9683077705 0.885458437448 -2.25550259344 TCL: Center of mass = 18.9714565 0.885332947894 -2.25566780174 TCL: Center of mass = 18.9745880197 0.885195329023 -2.25582741398 TCL: Center of mass = 18.9777164038 0.885048987223 -2.25599167639 TCL: Center of mass = 18.9808529703 0.884904973844 -2.25616344132 TCL: Center of mass = 18.9839948804 0.884747781651 -2.25632955263 TCL: Center of mass = 18.987143777 0.884585510822 -2.2564948422 TCL: Center of mass = 18.9902982734 0.884418117593 -2.25665064671 TCL: Center of mass = 18.9934615337 0.884258391292 -2.25680280832 TCL: Center of mass = 18.9966217523 0.884091434655 -2.25696044407 TCL: Center of mass = 18.9997908602 0.883917338569 -2.25711141795 TCL: Center of mass = 19.0029621043 0.883742185359 -2.25726311088 TCL: Center of mass = 19.0061312802 0.883572632735 -2.25741082885 TCL: Center of mass = 19.0093065075 0.883390999284 -2.25755260009 TCL: Center of mass = 19.0124834814 0.883205213543 -2.25769165514 TCL: Center of mass = 19.0156725241 0.883014631978 -2.25782954607 TCL: Center of mass = 19.0188635311 0.882819271116 -2.25797116404 TCL: Center of mass = 19.0220550527 0.882626747409 -2.25810990876 TCL: Center of mass = 19.0252568051 0.882437282983 -2.25824161173 TCL: Center of mass = 19.0284540229 0.88224808597 -2.25837972557 TCL: Center of mass = 19.0316558046 0.882055161574 -2.258519287 TCL: Center of mass = 19.0348596274 0.881859246632 -2.25865935757 TCL: Center of mass = 19.038055339 0.881673467981 -2.25880544404 TCL: Center of mass = 19.041253686 0.881502141316 -2.25896078534 TCL: Center of mass = 19.0444337749 0.881348681745 -2.25912373365 TCL: Center of mass = 19.0476160778 0.881214685876 -2.25927292608 TCL: Center of mass = 19.0507999511 0.881080072176 -2.25944190076 TCL: Center of mass = 19.0539978864 0.880954687752 -2.25961181146 TCL: Center of mass = 19.0571910258 0.880838156582 -2.25977905479 TCL: Center of mass = 19.0603682708 0.880724415504 -2.25995371864 TCL: Center of mass = 19.063556074 0.88061451784 -2.26012062645 TCL: Center of mass = 19.0667446886 0.880503687373 -2.26028993546 TCL: Center of mass = 19.0699243971 0.880398782529 -2.26046012867 TCL: Center of mass = 19.0731098177 0.880297939294 -2.2606333216 TCL: Center of mass = 19.0762958291 0.880200933656 -2.26080114588 TCL: Center of mass = 19.0794786826 0.880104049797 -2.26097580869 TCL: Center of mass = 19.0826652904 0.880011665871 -2.26114902218 TCL: Center of mass = 19.0858466611 0.879919298827 -2.26131204051 TCL: Center of mass = 19.089034242 0.879815798711 -2.26147466723 TCL: Center of mass = 19.0922221445 0.879721711855 -2.26162941037 TCL: Center of mass = 19.0954190719 0.879620038565 -2.26178327897 TCL: Center of mass = 19.098625092 0.87951458466 -2.26193916349 TCL: Center of mass = 19.1018364345 0.879411733588 -2.26209299348 TCL: Center of mass = 19.1050443359 0.879303182264 -2.26225039761 TCL: Center of mass = 19.1082448819 0.879198120601 -2.26241254115 TCL: Center of mass = 19.1114598183 0.879100478563 -2.26258036518 TCL: Center of mass = 19.1146763881 0.878999213145 -2.26274733837 TCL: Center of mass = 19.1178952182 0.878918075036 -2.26291167812 TCL: Center of mass = 19.1211187625 0.878842304087 -2.26307311426 TCL: Center of mass = 19.1243526143 0.878773172141 -2.26324599154 TCL: Center of mass = 19.1275882452 0.878707826816 -2.26342453597 TCL: Center of mass = 19.1308311501 0.8786419429 -2.26360675245 TCL: Center of mass = 19.134077254 0.878568787596 -2.26378473669 TCL: Center of mass = 19.1373222258 0.878497903013 -2.26395369025 TCL: Center of mass = 19.1405707984 0.878432674003 -2.26412880955 TCL: Center of mass = 19.1438262126 0.878370587744 -2.26431011674 TCL: Center of mass = 19.1470923952 0.878302418682 -2.26450035054 TCL: Center of mass = 19.1503571251 0.878236721833 -2.26468389177 TCL: Center of mass = 19.1536256681 0.878172844532 -2.26486564859 TCL: Center of mass = 19.1568767954 0.878098082187 -2.26504595854 TCL: Center of mass = 19.1601155459 0.878016578619 -2.26522373634 TCL: Center of mass = 19.1633526125 0.877940569274 -2.2653995683 TCL: Center of mass = 19.166601441 0.877860803064 -2.26557637659 TCL: Center of mass = 19.1698556384 0.87776788173 -2.26575582602 TCL: Center of mass = 19.1731226029 0.87767856955 -2.26594556977 TCL: Center of mass = 19.1763839903 0.877595008414 -2.26613061572 TCL: Center of mass = 19.1796451571 0.87751880944 -2.26631575532 TCL: Center of mass = 19.1828973487 0.87745013233 -2.26650729665 TCL: Center of mass = 19.1861550502 0.877383028593 -2.26668541239 TCL: Center of mass = 19.1894066613 0.877319052918 -2.26686607952 TCL: Center of mass = 19.1926553266 0.877254927825 -2.26704785599 TCL: Center of mass = 19.1958998683 0.877186496417 -2.26722478491 TCL: Center of mass = 19.1991496236 0.877111801231 -2.26740368677 TCL: Center of mass = 19.2024019773 0.877035801015 -2.26758847448 TCL: Center of mass = 19.2056546812 0.876949268683 -2.26776660012 TCL: Center of mass = 19.2089204024 0.876860459989 -2.26793849522 TCL: Center of mass = 19.2121743363 0.87676827303 -2.26811939277 TCL: Center of mass = 19.2154260511 0.876668492249 -2.26829776644 TCL: Center of mass = 19.218670468 0.876573060017 -2.26847968983 TCL: Center of mass = 19.2219072745 0.876477215048 -2.26867217415 TCL: Center of mass = 19.2251529385 0.87637212483 -2.26885951886 TCL: Center of mass = 19.2283914214 0.876276656168 -2.26902491102 TCL: Center of mass = 19.2316289131 0.876173055247 -2.26918421551 TCL: Center of mass = 19.2348697566 0.876074059574 -2.26933737176 TCL: Center of mass = 19.238112637 0.875977064594 -2.26947244012 TCL: Center of mass = 19.2413576535 0.875880788211 -2.26959998287 TIMING: 7200 CPU: 603.983, 0.0872867/step Wall: 739.125, -0.247678/step, -0.880633 hours remaining, 21574 kB of memory in use. ENERGY: 7200 420.1387 672.6403 421.5327 41.4728 -2781.5410 -220.4231 0.0000 0.0000 1131.5369 -314.6427 308.3754 -305.7414 -306.9289 310.0597 379.5302 723.4792 64000.0000 440.5908 439.2031 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 = 19.2445981962 0.875776579132 -2.26973313728 TCL: Center of mass = 19.247847018 0.875679722501 -2.26986583615 TCL: Center of mass = 19.2510917471 0.875580039375 -2.27000243462 TCL: Center of mass = 19.254345624 0.875474420789 -2.27013132412 TCL: Center of mass = 19.2576001526 0.875364437129 -2.27025374698 TCL: Center of mass = 19.2608431218 0.87524691257 -2.27038617519 TCL: Center of mass = 19.26409847 0.875136274562 -2.27051618988 TCL: Center of mass = 19.2673516889 0.875033058735 -2.27064818301 TCL: Center of mass = 19.2706122487 0.874927949174 -2.2707900704 TCL: Center of mass = 19.2738717495 0.874844216195 -2.27092077523 TCL: Center of mass = 19.2771273631 0.874756699816 -2.27105353779 TCL: Center of mass = 19.2803855353 0.874663747405 -2.27118259978 TCL: Center of mass = 19.2836500678 0.874570844286 -2.2713117817 TCL: Center of mass = 19.2869167896 0.874471124721 -2.27143304252 TCL: Center of mass = 19.2901881498 0.874370754812 -2.27154784182 TCL: Center of mass = 19.2934570493 0.874286515549 -2.27166415831 TCL: Center of mass = 19.2967265527 0.874216349524 -2.27178170829 TCL: Center of mass = 19.2999951738 0.874145314065 -2.27189204527 TCL: Center of mass = 19.3032601475 0.874070578603 -2.27199641219 TCL: Center of mass = 19.3065330424 0.873995777421 -2.27209189908 TCL: Center of mass = 19.309798613 0.87391684122 -2.27218525622 TCL: Center of mass = 19.3130689508 0.873834083399 -2.27225922196 TCL: Center of mass = 19.3163305205 0.873752206347 -2.27234415523 TCL: Center of mass = 19.3195836258 0.873672163946 -2.27242903495 TCL: Center of mass = 19.3228375236 0.873596109469 -2.27251737284 TCL: Center of mass = 19.326088363 0.873530039358 -2.27261600797 TCL: Center of mass = 19.3293347757 0.873472363841 -2.27271425735 TCL: Center of mass = 19.332572626 0.873409993185 -2.27280558037 TCL: Center of mass = 19.3358085493 0.873353902074 -2.27290681892 TCL: Center of mass = 19.3390483852 0.873303578075 -2.27300789737 TCL: Center of mass = 19.3422833543 0.873249489223 -2.27312081353 TCL: Center of mass = 19.3455139134 0.873178433716 -2.27323750138 TCL: Center of mass = 19.3487530968 0.87310977601 -2.27335115918 TCL: Center of mass = 19.3519817383 0.873050392128 -2.27345642541 TCL: Center of mass = 19.3552182641 0.872993139829 -2.27355466258 TCL: Center of mass = 19.3584598391 0.872919184448 -2.27363909365 TCL: Center of mass = 19.3616916841 0.872841499252 -2.27372429617 TCL: Center of mass = 19.3649186296 0.872751959246 -2.27380401607 TCL: Center of mass = 19.3681502691 0.872658384819 -2.27388661674 TCL: Center of mass = 19.3713851101 0.872564655052 -2.27397387698 TCL: Center of mass = 19.3746283701 0.872466008335 -2.27406689466 TCL: Center of mass = 19.3778700842 0.872364702809 -2.27417149159 TCL: Center of mass = 19.3811190766 0.872268048628 -2.27428341147 TCL: Center of mass = 19.3843640825 0.87217694803 -2.27437300881 TCL: Center of mass = 19.3876073205 0.872091645256 -2.27446554842 TCL: Center of mass = 19.3908474789 0.872011088247 -2.27455895859 TCL: Center of mass = 19.3940997726 0.871931269909 -2.27465123817 TCL: Center of mass = 19.3973519021 0.871844915081 -2.27474063074 TCL: Center of mass = 19.4006075015 0.871760297344 -2.27483597478 TCL: Center of mass = 19.4038661983 0.871675237516 -2.27492611129 TCL: Center of mass = 19.407115391 0.871572207766 -2.27502104343 TCL: Center of mass = 19.4103678422 0.871469870219 -2.27511124899 TCL: Center of mass = 19.4136242521 0.871366712327 -2.2751894414 TCL: Center of mass = 19.4168895817 0.871262224494 -2.27526540655 TCL: Center of mass = 19.4201634844 0.871161137851 -2.27534671074 TCL: Center of mass = 19.4234393989 0.871062633744 -2.27543408443 TCL: Center of mass = 19.4267052365 0.870960769867 -2.2755292011 TCL: Center of mass = 19.4299690822 0.870865766289 -2.27560173769 TCL: Center of mass = 19.4332249051 0.870765091018 -2.27565183162 TCL: Center of mass = 19.4364821476 0.870661917903 -2.27570131124 TCL: Center of mass = 19.4397474259 0.87054676925 -2.27575483013 TCL: Center of mass = 19.4430207039 0.870420523315 -2.27581007515 TCL: Center of mass = 19.446297252 0.870295779575 -2.27587314808 TCL: Center of mass = 19.4495654652 0.870172784894 -2.27592458352 TCL: Center of mass = 19.452829419 0.870044447886 -2.27597534857 TCL: Center of mass = 19.4560875374 0.869918610291 -2.27603051958 TCL: Center of mass = 19.4593613173 0.869792051612 -2.27609634769 TCL: Center of mass = 19.4626280698 0.869663118253 -2.27616297232 TCL: Center of mass = 19.4658931526 0.869527104084 -2.27622594927 TCL: Center of mass = 19.4691639306 0.869394189528 -2.27628831103 TCL: Center of mass = 19.4724259574 0.869255456836 -2.27634867781 TCL: Center of mass = 19.4756944616 0.869113551349 -2.27641525192 TCL: Center of mass = 19.4789630659 0.868974727792 -2.27648780766 TCL: Center of mass = 19.4822372665 0.86883818703 -2.2765685207 TCL: Center of mass = 19.4855198433 0.868702562789 -2.27666300939 TCL: Center of mass = 19.4888018233 0.868565567033 -2.27676130866 TCL: Center of mass = 19.4920837632 0.868428995434 -2.27684771847 TCL: Center of mass = 19.4953644246 0.868299193837 -2.27692832826 TCL: Center of mass = 19.4986469355 0.868162553328 -2.277003645 TCL: Center of mass = 19.5019271638 0.868023207758 -2.27708925778 TCL: Center of mass = 19.5052146311 0.867895191128 -2.2771747188 TCL: Center of mass = 19.5084894971 0.867770142747 -2.27725106487 TCL: Center of mass = 19.5117785943 0.86764210411 -2.27733324939 TCL: Center of mass = 19.5150713202 0.867515786893 -2.27741716398 TCL: Center of mass = 19.5183795758 0.867381700075 -2.27749909857 TCL: Center of mass = 19.5216749642 0.867239332285 -2.27758543675 TCL: Center of mass = 19.5249808492 0.867101592266 -2.27767764567 TCL: Center of mass = 19.528287361 0.866961457126 -2.2777691757 TCL: Center of mass = 19.5315941859 0.866811567422 -2.27785676127 TCL: Center of mass = 19.5348942999 0.866668042798 -2.2779451552 TCL: Center of mass = 19.5382005652 0.866520752236 -2.27803312261 TCL: Center of mass = 19.5415107752 0.866386124127 -2.27812395122 TCL: Center of mass = 19.5448243485 0.866260486825 -2.2782128521 TCL: Center of mass = 19.5481419117 0.866138567682 -2.27830074713 TCL: Center of mass = 19.5514636852 0.866026193656 -2.2783976192 TCL: Center of mass = 19.5547866387 0.865919892099 -2.27848882159 TCL: Center of mass = 19.5581015185 0.86581536559 -2.27858624209 TCL: Center of mass = 19.5614215515 0.865724880539 -2.27869949777 TCL: Center of mass = 19.5647394554 0.865616934151 -2.27881730765 TCL: Center of mass = 19.5680569617 0.865509512125 -2.27893588835 TIMING: 7300 CPU: 612.544, 0.085607/step Wall: 749.621, 0.10496/step, 0.370277 hours remaining, 21732 kB of memory in use. ENERGY: 7300 408.0716 707.7025 407.9249 41.8946 -2773.6421 -229.5305 0.0000 0.0000 1129.6055 -307.9735 307.8491 -299.5252 -298.6619 311.9791 433.8318 435.0890 64000.0000 599.1304 590.9774 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 = 19.5713750639 0.86539698355 -2.27906224003 TCL: Center of mass = 19.574703997 0.865293041579 -2.27918689798 TCL: Center of mass = 19.5780362258 0.86519552795 -2.27931215553 TCL: Center of mass = 19.5813762266 0.86509810177 -2.27943321614 TCL: Center of mass = 19.5847166625 0.865002441756 -2.27954615002 TCL: Center of mass = 19.5880538053 0.864907395935 -2.27965409981 TCL: Center of mass = 19.5913896369 0.86480674418 -2.27976947493 TCL: Center of mass = 19.5947224787 0.86470492148 -2.27987480663 TCL: Center of mass = 19.5980566207 0.864603193207 -2.27997015223 TCL: Center of mass = 19.6013875208 0.864505158944 -2.2800709441 TCL: Center of mass = 19.6047125094 0.864406493823 -2.28016938855 TCL: Center of mass = 19.6080381721 0.86431033069 -2.28026850044 TCL: Center of mass = 19.611357071 0.864197281052 -2.28036782595 TCL: Center of mass = 19.614673985 0.86407740058 -2.28047900889 TCL: Center of mass = 19.6179907521 0.863969236457 -2.28058842726 TCL: Center of mass = 19.6213013052 0.863874699625 -2.28070097225 TCL: Center of mass = 19.6246117293 0.863782894559 -2.28081952819 TCL: Center of mass = 19.6279312745 0.863698802418 -2.28093468121 TCL: Center of mass = 19.6312538582 0.863605703659 -2.28104577234 TCL: Center of mass = 19.6345856955 0.863519739906 -2.28115002603 TCL: Center of mass = 19.6379106911 0.863437913753 -2.28124796201 TCL: Center of mass = 19.6412465288 0.863353927961 -2.28134474385 TCL: Center of mass = 19.6445802023 0.86327030725 -2.28144644146 TCL: Center of mass = 19.647911304 0.863175946327 -2.28155284353 TCL: Center of mass = 19.6512418228 0.863091049093 -2.28165824152 TCL: Center of mass = 19.6545604915 0.863011890744 -2.28176065804 TCL: Center of mass = 19.6578803624 0.862933263929 -2.28186012953 TCL: Center of mass = 19.6612003983 0.86285397376 -2.28196030028 TCL: Center of mass = 19.6645261019 0.862769789333 -2.2820629199 TCL: Center of mass = 19.6678606334 0.862685525089 -2.28216392577 TCL: Center of mass = 19.6711987929 0.862601083735 -2.28227785167 TCL: Center of mass = 19.6745350401 0.862514570557 -2.2823795961 TCL: Center of mass = 19.6778800245 0.862423605854 -2.28248238568 TCL: Center of mass = 19.6812310601 0.862327945402 -2.28258187651 TCL: Center of mass = 19.6845738013 0.862223895026 -2.2826759722 TCL: Center of mass = 19.6879119121 0.862125825422 -2.2827758564 TCL: Center of mass = 19.6912407659 0.862034458488 -2.28288966496 TCL: Center of mass = 19.6945682391 0.861944939967 -2.28301016672 TCL: Center of mass = 19.6978811983 0.861860910506 -2.28312521738 TCL: Center of mass = 19.7011802529 0.86178650152 -2.28322372135 TCL: Center of mass = 19.7044819191 0.86170717712 -2.28332666677 TCL: Center of mass = 19.7077822948 0.86162015305 -2.28342904365 TCL: Center of mass = 19.7110731674 0.861542304945 -2.28353270118 TCL: Center of mass = 19.7143631228 0.861471464519 -2.28363138183 TCL: Center of mass = 19.7176522763 0.861407221896 -2.28373916497 TCL: Center of mass = 19.7209419538 0.861353161102 -2.28385042623 TCL: Center of mass = 19.7242329991 0.861295781794 -2.28394580659 TCL: Center of mass = 19.727533702 0.861230538673 -2.28404458325 TCL: Center of mass = 19.7308325832 0.861151507213 -2.28412895537 TCL: Center of mass = 19.7341345729 0.861071557269 -2.28420679642 TCL: Center of mass = 19.7374427196 0.860985731748 -2.28428028326 TCL: Center of mass = 19.7407451707 0.860892445118 -2.28435515197 TCL: Center of mass = 19.7440453114 0.860797827244 -2.28442615481 TCL: Center of mass = 19.7473556212 0.860707383887 -2.28449998637 TCL: Center of mass = 19.7506724657 0.860613769707 -2.28457291627 TCL: Center of mass = 19.753987351 0.860504158734 -2.28465013405 TCL: Center of mass = 19.7572978809 0.860399275513 -2.28473144146 TCL: Center of mass = 19.7606047239 0.860294921548 -2.28480711308 TCL: Center of mass = 19.7639098973 0.860190426915 -2.28488520159 TCL: Center of mass = 19.7672045892 0.860097543148 -2.28497530141 TCL: Center of mass = 19.7704986294 0.859996709923 -2.28505076268 TCL: Center of mass = 19.7737894712 0.859890066191 -2.28511922718 TCL: Center of mass = 19.7770705015 0.859785918253 -2.28518162228 TCL: Center of mass = 19.780354387 0.859687027527 -2.28524572236 TCL: Center of mass = 19.7836319394 0.859583898001 -2.28530509998 TCL: Center of mass = 19.7869214794 0.859476669903 -2.28534674097 TCL: Center of mass = 19.7902154832 0.859367742751 -2.28538750871 TCL: Center of mass = 19.7935186318 0.859269596119 -2.28543072617 TCL: Center of mass = 19.7968363116 0.859177332989 -2.2854692117 TCL: Center of mass = 19.8001677834 0.859076678092 -2.28550380426 TCL: Center of mass = 19.8034892542 0.858979772831 -2.28553838106 TCL: Center of mass = 19.8068091946 0.858887742592 -2.28558137558 TCL: Center of mass = 19.8101370663 0.858793348841 -2.28562670923 TCL: Center of mass = 19.8134801779 0.858693108919 -2.28568434749 TCL: Center of mass = 19.8168210634 0.858596937787 -2.28574974831 TCL: Center of mass = 19.8201593206 0.85849037523 -2.28581308218 TCL: Center of mass = 19.8235049578 0.858396421564 -2.28588180102 TCL: Center of mass = 19.8268597301 0.858302910377 -2.28595500476 TCL: Center of mass = 19.8302251632 0.858221118889 -2.28603493739 TCL: Center of mass = 19.8335906565 0.858144330321 -2.28611191366 TCL: Center of mass = 19.8369530257 0.858074234774 -2.28618193945 TCL: Center of mass = 19.8403223007 0.858006334108 -2.28624490009 TCL: Center of mass = 19.8436978126 0.857944103069 -2.28630904792 TCL: Center of mass = 19.8470810904 0.857883339725 -2.28637749053 TCL: Center of mass = 19.8504651312 0.857829797027 -2.28644912416 TCL: Center of mass = 19.8538472965 0.857771736798 -2.28651535457 TCL: Center of mass = 19.8572349417 0.857704398827 -2.28657291655 TCL: Center of mass = 19.8606195335 0.857629227058 -2.28662048605 TCL: Center of mass = 19.86401147 0.857560022741 -2.28665933688 TCL: Center of mass = 19.8674006109 0.857487001289 -2.28668612533 TCL: Center of mass = 19.8707959635 0.857420239105 -2.28671381209 TCL: Center of mass = 19.8741894897 0.857345678727 -2.28673629225 TCL: Center of mass = 19.8775946956 0.857272831301 -2.28675688585 TCL: Center of mass = 19.8810095742 0.857207830847 -2.28678976553 TCL: Center of mass = 19.8844192431 0.857136969756 -2.28681907327 TCL: Center of mass = 19.8878191829 0.85706803225 -2.28685251234 TCL: Center of mass = 19.8912250404 0.856987479041 -2.2868874109 TCL: Center of mass = 19.8946194073 0.856906791397 -2.28692844991 TCL: Center of mass = 19.8980155409 0.856820667933 -2.28696197779 TCL: Center of mass = 19.9014124084 0.856738292452 -2.28699435032 TIMING: 7400 CPU: 621.18, 0.0863569/step Wall: 760.214, 0.105926/step, 0.37074 hours remaining, 21775 kB of memory in use. ENERGY: 7400 379.8926 692.6062 408.7324 55.1325 -2765.2610 -237.3967 0.0000 0.0000 1165.3433 -300.9508 317.5886 -292.8125 -291.5374 313.7160 857.9317 697.3954 64000.0000 456.5791 456.3368 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 = 19.9048085735 0.856640902925 -2.28703332642 TCL: Center of mass = 19.9082140194 0.856529129787 -2.28708575352 TCL: Center of mass = 19.9116232213 0.85643589099 -2.28713845586 TCL: Center of mass = 19.915025463 0.856338702185 -2.28718449743 TCL: Center of mass = 19.9184265675 0.856246057898 -2.28722448225 TCL: Center of mass = 19.9218285826 0.856148116196 -2.28725953527 TCL: Center of mass = 19.9252144673 0.856055263277 -2.28730801626 TCL: Center of mass = 19.9286032748 0.85594024625 -2.28734871945 TCL: Center of mass = 19.9319980129 0.855830710139 -2.28739989143 TCL: Center of mass = 19.9353907188 0.855713452988 -2.28745553449 TCL: Center of mass = 19.9387840094 0.855595081493 -2.28751066608 TCL: Center of mass = 19.9421794632 0.855454973238 -2.28757664729 TCL: Center of mass = 19.9455753974 0.855308884839 -2.28763667881 TCL: Center of mass = 19.9489879148 0.855155010009 -2.28770441635 TCL: Center of mass = 19.9524077335 0.854989303405 -2.28778071498 TCL: Center of mass = 19.955813482 0.854814214246 -2.28786113386 TCL: Center of mass = 19.9592143522 0.854633312314 -2.2879504933 TCL: Center of mass = 19.9626136999 0.854455112841 -2.28803532831 TCL: Center of mass = 19.966010304 0.854279381503 -2.28811325773 TCL: Center of mass = 19.9694215964 0.854100205064 -2.28819453848 TCL: Center of mass = 19.9728278817 0.85391610476 -2.28827615526 TCL: Center of mass = 19.9762289851 0.853730995479 -2.28836001242 TCL: Center of mass = 19.9796333622 0.853545431855 -2.28844000161 TCL: Center of mass = 19.9830292352 0.853359067913 -2.28851377663 TCL: Center of mass = 19.9864203505 0.853179377716 -2.28859135048 TCL: Center of mass = 19.98980708 0.853002025162 -2.28866586052 TCL: Center of mass = 19.9931834667 0.852820683862 -2.28873069777 TCL: Center of mass = 19.9965554457 0.852644492032 -2.28879398251 TCL: Center of mass = 19.9999207815 0.852470004313 -2.28886482218 TCL: Center of mass = 20.0032854629 0.852292218993 -2.28892154185 TCL: Center of mass = 20.0066409003 0.852123599086 -2.28897144349 TCL: Center of mass = 20.0100063195 0.851946624865 -2.28900767728 TCL: Center of mass = 20.0133787035 0.851780200331 -2.28904084925 TCL: Center of mass = 20.016747302 0.851610801982 -2.28907476624 TCL: Center of mass = 20.0201309779 0.851429574011 -2.28911084116 TCL: Center of mass = 20.0235116456 0.851249063592 -2.28915266131 TCL: Center of mass = 20.0268869561 0.851066206607 -2.28918367667 TCL: Center of mass = 20.0302631017 0.850885004413 -2.28920544729 TCL: Center of mass = 20.0336510316 0.850693227727 -2.28922448193 TCL: Center of mass = 20.0370423822 0.850503371522 -2.28924718002 TCL: Center of mass = 20.0404396184 0.850301625252 -2.28927436204 TCL: Center of mass = 20.0438347073 0.85010145589 -2.28928882654 TCL: Center of mass = 20.0472139906 0.849902086381 -2.28930965429 TCL: Center of mass = 20.0505840161 0.849701709162 -2.28932207216 TCL: Center of mass = 20.0539485829 0.849512807629 -2.28933734304 TCL: Center of mass = 20.0573099535 0.849321757882 -2.28936288578 TCL: Center of mass = 20.0606641436 0.849123900936 -2.2893845377 TCL: Center of mass = 20.0640202371 0.848916888531 -2.28940733771 TCL: Center of mass = 20.0673791373 0.848708204439 -2.28942615043 TCL: Center of mass = 20.0707371566 0.84850726439 -2.28944817483 TCL: Center of mass = 20.0741020189 0.84830276492 -2.28946966295 TCL: Center of mass = 20.0774661993 0.848106615434 -2.28948492058 TCL: Center of mass = 20.0808261233 0.847917298245 -2.28950037959 TCL: Center of mass = 20.0841852973 0.847737068706 -2.28950549182 TCL: Center of mass = 20.0875306327 0.847556831094 -2.28952549096 TCL: Center of mass = 20.0908757481 0.847379729625 -2.2895590908 TCL: Center of mass = 20.0942114746 0.847206697074 -2.28960115029 TCL: Center of mass = 20.0975405864 0.847028086054 -2.28965732341 TCL: Center of mass = 20.100875152 0.846850720665 -2.28972133638 TCL: Center of mass = 20.1042141226 0.846679532818 -2.28977893267 TCL: Center of mass = 20.1075435811 0.846514475414 -2.28984157188 TCL: Center of mass = 20.1108754902 0.846354029257 -2.28991128189 TCL: Center of mass = 20.1142015223 0.84619610071 -2.28998621553 TCL: Center of mass = 20.1175203069 0.846039251058 -2.29004691176 TCL: Center of mass = 20.1208240621 0.845882843764 -2.29010406182 TCL: Center of mass = 20.1241244492 0.845716723428 -2.29016369969 TCL: Center of mass = 20.1274250123 0.845549647921 -2.29022972398 TCL: Center of mass = 20.130724228 0.845384938579 -2.29029154276 TCL: Center of mass = 20.1340219485 0.845210545533 -2.29035165823 TCL: Center of mass = 20.1373136781 0.845040022106 -2.29040493543 TCL: Center of mass = 20.140596089 0.844875171928 -2.29045295773 TCL: Center of mass = 20.1438784117 0.844719099781 -2.29051439012 TCL: Center of mass = 20.1471563693 0.844556541156 -2.29058056064 TCL: Center of mass = 20.1504398828 0.844389426958 -2.29064986253 TCL: Center of mass = 20.1537212779 0.844213997998 -2.29072662921 TCL: Center of mass = 20.1569975783 0.844029317702 -2.29081009058 TCL: Center of mass = 20.1602737525 0.843847313602 -2.29090035806 TCL: Center of mass = 20.1635565236 0.843673382988 -2.29098525172 TCL: Center of mass = 20.1668566831 0.843506723952 -2.29107679626 TCL: Center of mass = 20.1701516317 0.843345405018 -2.29116831311 TCL: Center of mass = 20.1734463649 0.843190993049 -2.29125032133 TCL: Center of mass = 20.1767423762 0.843040090079 -2.29133688143 TCL: Center of mass = 20.1800507945 0.842883915994 -2.2914155147 TCL: Center of mass = 20.1833509312 0.84272493903 -2.29149745472 TCL: Center of mass = 20.1866503839 0.842562503074 -2.29158116058 TCL: Center of mass = 20.1899618844 0.842398100656 -2.29165484481 TCL: Center of mass = 20.1932860953 0.842217751327 -2.29173405526 TCL: Center of mass = 20.1965959256 0.842042194803 -2.29181457154 TCL: Center of mass = 20.1999062266 0.841861270909 -2.29188300105 TCL: Center of mass = 20.203217772 0.841685905962 -2.29196495193 TCL: Center of mass = 20.2065250778 0.841496201009 -2.29205028087 TCL: Center of mass = 20.2098271682 0.841308872857 -2.29213746131 TCL: Center of mass = 20.2131153292 0.841129433424 -2.29222100812 TCL: Center of mass = 20.2164127752 0.840962744755 -2.29230351245 TCL: Center of mass = 20.2197036545 0.840796928198 -2.29239675806 TCL: Center of mass = 20.2229958678 0.840638189858 -2.29248148619 TCL: Center of mass = 20.2262954689 0.840466643552 -2.29257301196 TCL: Center of mass = 20.22958524 0.840291907352 -2.2926559362 TCL: Center of mass = 20.2328783695 0.840122255776 -2.29272984665 TCL: Center of mass = 20.2361893315 0.83994562748 -2.2928097158 TIMING: 7500 CPU: 629.743, 0.085637/step Wall: 770.715, 0.105012/step, 0.364626 hours remaining, 21786 kB of memory in use. ENERGY: 7500 411.2781 688.9977 409.0797 43.7586 -2764.8147 -236.0608 0.0000 0.0000 1142.5770 -305.1845 311.3842 -296.2728 -298.0019 313.3043 587.4116 217.7895 64000.0000 367.9608 372.5149 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 = 20.2394868403 0.839770066591 -2.29288501041 TCL: Center of mass = 20.2427846189 0.839582627389 -2.29295802253 TCL: Center of mass = 20.2460812282 0.83939278621 -2.2930284278 TCL: Center of mass = 20.2493760219 0.839210074133 -2.29309440655 TCL: Center of mass = 20.2526592648 0.839029054936 -2.29315115616 TCL: Center of mass = 20.2559417201 0.838845129197 -2.2932058806 TCL: Center of mass = 20.259229613 0.838658772243 -2.29325464271 TCL: Center of mass = 20.2625210028 0.838473878806 -2.2933062143 TCL: Center of mass = 20.2658197794 0.838282216603 -2.29336684397 TCL: Center of mass = 20.2691239876 0.838080746441 -2.29343653776 TCL: Center of mass = 20.2724270871 0.837885422133 -2.29350825174 TCL: Center of mass = 20.2757265172 0.837688261126 -2.29357367394 TCL: Center of mass = 20.2790285173 0.837499367592 -2.2936393991 TCL: Center of mass = 20.2823278682 0.837307873457 -2.29369992508 TCL: Center of mass = 20.2856154497 0.837113570907 -2.29376874705 TCL: Center of mass = 20.2889024742 0.836917454009 -2.29384137961 TCL: Center of mass = 20.292180809 0.836724056457 -2.29390798201 TCL: Center of mass = 20.2954609947 0.83653510764 -2.29397959155 TCL: Center of mass = 20.298728751 0.836331471357 -2.29405022559 TCL: Center of mass = 20.3019977385 0.836139663559 -2.29412424725 TCL: Center of mass = 20.3052669311 0.83594180385 -2.29419490766 TCL: Center of mass = 20.3085357065 0.835745347352 -2.29426406879 TCL: Center of mass = 20.3118014253 0.835546488534 -2.29432035614 TCL: Center of mass = 20.3150636483 0.835352147458 -2.29438424836 TCL: Center of mass = 20.3183042428 0.835174022702 -2.2944472985 TCL: Center of mass = 20.3215434621 0.834992003127 -2.2945104285 TCL: Center of mass = 20.324783965 0.834811743531 -2.29457006436 TCL: Center of mass = 20.3280325623 0.834642390663 -2.29463337715 TCL: Center of mass = 20.3312793725 0.834469369576 -2.29470680505 TCL: Center of mass = 20.3345190335 0.834301530576 -2.29478952725 TCL: Center of mass = 20.3377684417 0.834124068805 -2.29486465228 TCL: Center of mass = 20.3410077073 0.833948240243 -2.29495469459 TCL: Center of mass = 20.3442377063 0.833772050614 -2.29504396102 TCL: Center of mass = 20.3474589235 0.833602846869 -2.29513008823 TCL: Center of mass = 20.3506792177 0.833427983023 -2.29522558038 TCL: Center of mass = 20.353894252 0.833249507327 -2.29530736466 TCL: Center of mass = 20.3571118318 0.833080872365 -2.29538744469 TCL: Center of mass = 20.3603223771 0.832912284406 -2.29547716947 TCL: Center of mass = 20.3635403035 0.832750785684 -2.29557361828 TCL: Center of mass = 20.3667551932 0.832585722375 -2.2956764912 TCL: Center of mass = 20.369970305 0.832433084094 -2.2957800481 TCL: Center of mass = 20.3731830922 0.832279113083 -2.29589077518 TCL: Center of mass = 20.3763831565 0.83212030303 -2.29599324404 TCL: Center of mass = 20.3795820334 0.831967137948 -2.2960936773 TCL: Center of mass = 20.3827771427 0.831805545325 -2.2961918004 TCL: Center of mass = 20.3859604841 0.83164576405 -2.29630247168 TCL: Center of mass = 20.3891400184 0.831494981115 -2.29641109422 TCL: Center of mass = 20.3923249661 0.831356191767 -2.29652445141 TCL: Center of mass = 20.3955068627 0.831212570961 -2.29664036476 TCL: Center of mass = 20.3986815824 0.831061865688 -2.29674610837 TCL: Center of mass = 20.4018663349 0.83091337805 -2.29685036411 TCL: Center of mass = 20.4050558008 0.830759471427 -2.29695151212 TCL: Center of mass = 20.4082495267 0.830611993825 -2.29705796179 TCL: Center of mass = 20.4114465623 0.830465475244 -2.29716023364 TCL: Center of mass = 20.4146419259 0.830318333848 -2.29724787581 TCL: Center of mass = 20.4178461998 0.830170238998 -2.29732927963 TCL: Center of mass = 20.4210485849 0.830020331532 -2.29741045069 TCL: Center of mass = 20.4242607344 0.82986823104 -2.29748746936 TCL: Center of mass = 20.4274682804 0.829718513605 -2.29757721289 TCL: Center of mass = 20.4306840491 0.829563995254 -2.29766003861 TCL: Center of mass = 20.4338995803 0.829406887871 -2.29774113837 TCL: Center of mass = 20.4371135554 0.829252214939 -2.29782511963 TCL: Center of mass = 20.4403267825 0.829092967823 -2.29790672708 TCL: Center of mass = 20.4435233274 0.828940246887 -2.29799759139 TCL: Center of mass = 20.4467227964 0.828784707789 -2.29808785795 TCL: Center of mass = 20.4499165965 0.828630284909 -2.29817342059 TCL: Center of mass = 20.4531046206 0.8284808875 -2.2982524915 TCL: Center of mass = 20.4562862732 0.828337700701 -2.298334567 TCL: Center of mass = 20.4594714187 0.828185598277 -2.29842542511 TCL: Center of mass = 20.4626547068 0.828035621126 -2.29852240122 TCL: Center of mass = 20.4658420367 0.8278868353 -2.29862925577 TCL: Center of mass = 20.4690131592 0.82772699784 -2.29874127417 TCL: Center of mass = 20.4721786422 0.827562512214 -2.29885549247 TCL: Center of mass = 20.4753389452 0.82739731844 -2.29897251461 TCL: Center of mass = 20.4785032242 0.827221182088 -2.2990853456 TCL: Center of mass = 20.481668686 0.827036381758 -2.29919916344 TCL: Center of mass = 20.4848480457 0.826853082036 -2.29930632047 TCL: Center of mass = 20.4880244161 0.826661272082 -2.29941996502 TCL: Center of mass = 20.4911981816 0.826470590558 -2.29952059597 TCL: Center of mass = 20.4943605614 0.826272527007 -2.29961259184 TCL: Center of mass = 20.4975265939 0.826082125877 -2.29969628914 TCL: Center of mass = 20.5006854009 0.825878679019 -2.29978792208 TCL: Center of mass = 20.5038467487 0.825669067734 -2.29987075539 TCL: Center of mass = 20.5070049705 0.825464280058 -2.29995044477 TCL: Center of mass = 20.5101580904 0.825258555566 -2.30001731062 TCL: Center of mass = 20.5132926418 0.825045519779 -2.30008887464 TCL: Center of mass = 20.5164248715 0.824825036435 -2.3001534749 TCL: Center of mass = 20.5195515263 0.82459774849 -2.3002160964 TCL: Center of mass = 20.5226743708 0.824371605419 -2.30026918855 TCL: Center of mass = 20.5257946247 0.824148699015 -2.30031728099 TCL: Center of mass = 20.5289106611 0.823931266978 -2.30035689116 TCL: Center of mass = 20.5320201137 0.823727697419 -2.30040446426 TCL: Center of mass = 20.535124235 0.823524095358 -2.30045091753 TCL: Center of mass = 20.5382358861 0.823317155809 -2.30050634835 TCL: Center of mass = 20.5413426588 0.823116363814 -2.30056772161 TCL: Center of mass = 20.5444566443 0.822922954567 -2.30062777431 TCL: Center of mass = 20.5475657871 0.82273834035 -2.30067362594 TCL: Center of mass = 20.5506958832 0.822563232975 -2.30072560899 TCL: Center of mass = 20.5538298583 0.822387953676 -2.30077427332 TCL: Center of mass = 20.556971014 0.822219470758 -2.30081604117 TIMING: 7600 CPU: 638.38, 0.0863669/step Wall: 781.305, 0.105901/step, 0.364771 hours remaining, 21802 kB of memory in use. ENERGY: 7600 387.4794 689.6303 402.1629 39.6914 -2752.6495 -236.0054 0.0000 0.0000 1152.4575 -317.2334 314.0769 -308.6396 -308.8020 310.3404 1121.6593 585.2127 64000.0000 422.2421 425.1481 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 = 20.5601118591 0.822049962032 -2.30085481497 TCL: Center of mass = 20.5632444007 0.821887424107 -2.30090041073 TCL: Center of mass = 20.5663702542 0.821717092463 -2.30094625218 TCL: Center of mass = 20.5694920594 0.821557142887 -2.30097966998 TCL: Center of mass = 20.5726137076 0.821394899461 -2.30101744311 TCL: Center of mass = 20.5757341853 0.821230781863 -2.30105129417 TCL: Center of mass = 20.5788531345 0.821067471259 -2.30109135638 TCL: Center of mass = 20.581966181 0.820893417398 -2.30113070289 TCL: Center of mass = 20.5850835532 0.820722325439 -2.30116671722 TCL: Center of mass = 20.5881899819 0.820554193042 -2.30121771685 TCL: Center of mass = 20.5912858765 0.820386429137 -2.30126296179 TCL: Center of mass = 20.5943763641 0.820227948444 -2.30130851923 TCL: Center of mass = 20.5974650558 0.820077906809 -2.30134647964 TCL: Center of mass = 20.6005421739 0.819927028168 -2.30138216932 TCL: Center of mass = 20.6036112148 0.819770371747 -2.30141545689 TCL: Center of mass = 20.6066733108 0.819609846704 -2.3014478882 TCL: Center of mass = 20.6097334444 0.819454562744 -2.30147955359 TCL: Center of mass = 20.6127913203 0.819299817983 -2.30150647866 TCL: Center of mass = 20.6158609316 0.819143724249 -2.30154011725 TCL: Center of mass = 20.6189385139 0.8189939057 -2.30156819701 TCL: Center of mass = 20.6220134756 0.818838967255 -2.30159362118 TCL: Center of mass = 20.6250902375 0.818680896384 -2.30159808091 TCL: Center of mass = 20.6281654948 0.818530037376 -2.30161068304 TCL: Center of mass = 20.6312416096 0.818383813491 -2.30162469045 TCL: Center of mass = 20.6343214137 0.81824674717 -2.30163156053 TCL: Center of mass = 20.6374018225 0.818111356154 -2.30163373947 TCL: Center of mass = 20.6404931542 0.817963105279 -2.30163562786 TCL: Center of mass = 20.6435807906 0.817798749179 -2.30163681928 TCL: Center of mass = 20.6466820728 0.817614099946 -2.3016384548 TCL: Center of mass = 20.6497906372 0.817426178877 -2.3016344413 TCL: Center of mass = 20.6528922134 0.817249830337 -2.30161915869 TCL: Center of mass = 20.6559918351 0.817065072661 -2.30159843409 TCL: Center of mass = 20.6590893998 0.816884835972 -2.30157617011 TCL: Center of mass = 20.6621871483 0.816698627646 -2.301552205 TCL: Center of mass = 20.6652839939 0.816515104731 -2.3015281965 TCL: Center of mass = 20.6683833475 0.816326461124 -2.30149873942 TCL: Center of mass = 20.6714745751 0.816146816168 -2.30146550776 TCL: Center of mass = 20.6745570472 0.815967183073 -2.30142544517 TCL: Center of mass = 20.6776539053 0.815794561158 -2.30138605941 TCL: Center of mass = 20.6807539184 0.81563372552 -2.30134330854 TCL: Center of mass = 20.6838606965 0.815468080494 -2.30128477035 TCL: Center of mass = 20.68696435 0.815301609651 -2.30122675605 TCL: Center of mass = 20.690066584 0.81513672355 -2.30116615125 TCL: Center of mass = 20.69316288 0.814971849336 -2.30110317859 TCL: Center of mass = 20.6962581426 0.814806108377 -2.30103148845 TCL: Center of mass = 20.6993477033 0.814635818679 -2.30095711941 TCL: Center of mass = 20.7024337762 0.814454435433 -2.30089079141 TCL: Center of mass = 20.7055226339 0.81426655652 -2.30082416796 TCL: Center of mass = 20.708625708 0.814080720538 -2.30075733031 TCL: Center of mass = 20.7117223695 0.81389871243 -2.30068255321 TCL: Center of mass = 20.714814823 0.813713278432 -2.30061434187 TCL: Center of mass = 20.7179139906 0.813528493578 -2.30055717749 TCL: Center of mass = 20.7210080485 0.813337886879 -2.30049844659 TCL: Center of mass = 20.7241083149 0.813151653432 -2.30043527313 TCL: Center of mass = 20.7272098183 0.812969839079 -2.30037449695 TCL: Center of mass = 20.7303100776 0.812793518409 -2.30031902052 TCL: Center of mass = 20.7333993855 0.812641068332 -2.3002635508 TCL: Center of mass = 20.7364696721 0.812498150707 -2.30020699524 TCL: Center of mass = 20.7395365669 0.812369650104 -2.30015890092 TCL: Center of mass = 20.7425949581 0.812250116229 -2.30010846456 TCL: Center of mass = 20.745655759 0.812136450235 -2.30006553631 TCL: Center of mass = 20.74872318 0.812032990437 -2.300009638 TCL: Center of mass = 20.7518032024 0.81193443346 -2.29995423566 TCL: Center of mass = 20.7548940703 0.811853607893 -2.29989184558 TCL: Center of mass = 20.7579757308 0.811760044994 -2.29982652113 TCL: Center of mass = 20.7610535316 0.811675001043 -2.29975050355 TCL: Center of mass = 20.76411801 0.811600874758 -2.29967220532 TCL: Center of mass = 20.7671793579 0.811523179762 -2.29958739452 TCL: Center of mass = 20.77023836 0.811444555385 -2.2994999899 TCL: Center of mass = 20.7732949645 0.811371263443 -2.29941609615 TCL: Center of mass = 20.7763541933 0.811297147445 -2.29933424408 TCL: Center of mass = 20.7794219416 0.811219559114 -2.29925867324 TCL: Center of mass = 20.7824829266 0.811138692303 -2.29917951291 TCL: Center of mass = 20.7855393342 0.811061612145 -2.29909933982 TCL: Center of mass = 20.7885979996 0.810985838049 -2.29901163961 TCL: Center of mass = 20.7916563577 0.810902294349 -2.29892589313 TCL: Center of mass = 20.7947172063 0.81082208299 -2.29883459171 TCL: Center of mass = 20.7977804852 0.810743037676 -2.29874336132 TCL: Center of mass = 20.8008375071 0.810667026412 -2.29864892859 TCL: Center of mass = 20.803892279 0.810592703008 -2.29855180936 TCL: Center of mass = 20.8069431088 0.810522255734 -2.29844244878 TCL: Center of mass = 20.8099876848 0.810462308234 -2.29832400368 TCL: Center of mass = 20.8130303164 0.810409598157 -2.29819493285 TCL: Center of mass = 20.8160821103 0.810373682632 -2.29806541763 TCL: Center of mass = 20.8191393932 0.810348855822 -2.29792781364 TCL: Center of mass = 20.8221974231 0.810315113772 -2.29779706948 TCL: Center of mass = 20.825267987 0.810283997222 -2.29765846771 TCL: Center of mass = 20.8283420988 0.810255411484 -2.29752597649 TCL: Center of mass = 20.8314178156 0.810233602323 -2.29738556864 TCL: Center of mass = 20.8344977619 0.810204216919 -2.29725013331 TCL: Center of mass = 20.8375848742 0.810192805723 -2.29709714969 TCL: Center of mass = 20.8406795765 0.810170839962 -2.2969536574 TCL: Center of mass = 20.8437708078 0.810153883707 -2.29681443765 TCL: Center of mass = 20.8468695135 0.810143830499 -2.29667674804 TCL: Center of mass = 20.849962187 0.810135024779 -2.29653084278 TCL: Center of mass = 20.8530564294 0.810106229822 -2.29637882016 TCL: Center of mass = 20.8561461484 0.810087850382 -2.29622438282 TCL: Center of mass = 20.8592416728 0.810079175761 -2.29606483778 TCL: Center of mass = 20.8623475839 0.810071798018 -2.29589857383 TCL: Center of mass = 20.8654623535 0.81005651784 -2.29573060236 TIMING: 7700 CPU: 646.982, 0.0860169/step Wall: 791.856, 0.105507/step, 0.360482 hours remaining, 21804 kB of memory in use. ENERGY: 7700 409.0022 676.9565 405.1738 46.9145 -2755.8968 -216.7636 0.0000 0.0000 1124.5902 -310.0233 306.4823 -301.1491 -302.1809 309.8174 1033.1966 605.7559 64000.0000 510.5722 518.2691 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 = 20.8685800065 0.81003365615 -2.29557165664 TCL: Center of mass = 20.8716976148 0.810011346825 -2.29541242498 TCL: Center of mass = 20.8748278755 0.810001111491 -2.29524898758 TCL: Center of mass = 20.8779564303 0.809982758667 -2.29508867827 TCL: Center of mass = 20.8810886621 0.809963804862 -2.29493991437 TCL: Center of mass = 20.8842220609 0.809947683648 -2.2947941972 TCL: Center of mass = 20.8873596924 0.809926519606 -2.29464285813 TCL: Center of mass = 20.8905013334 0.809898925856 -2.29449403786 TCL: Center of mass = 20.8936461422 0.809871651601 -2.29434337864 TCL: Center of mass = 20.8967890626 0.809854136995 -2.29420107034 TCL: Center of mass = 20.8999393208 0.809834226365 -2.29405929941 TCL: Center of mass = 20.9031042424 0.809827437444 -2.29390451071 TCL: Center of mass = 20.9062652497 0.80981682024 -2.29375397521 TCL: Center of mass = 20.9094221704 0.80980499657 -2.29360412132 TCL: Center of mass = 20.9125884964 0.80978767428 -2.29345241777 TCL: Center of mass = 20.9157637367 0.809768334463 -2.29330514209 TCL: Center of mass = 20.9189318975 0.809748663124 -2.29314144856 TCL: Center of mass = 20.9220962046 0.809736845754 -2.29296757983 TCL: Center of mass = 20.9252515243 0.809736504169 -2.2927845194 TCL: Center of mass = 20.9284072163 0.809737296136 -2.29259691091 TCL: Center of mass = 20.9315510989 0.809733722323 -2.29240390735 TCL: Center of mass = 20.9346843345 0.809725717723 -2.29221682613 TCL: Center of mass = 20.937827831 0.809721927149 -2.29204004676 TCL: Center of mass = 20.9409728718 0.80971545644 -2.29185727991 TCL: Center of mass = 20.9441197787 0.809702960083 -2.29168136432 TCL: Center of mass = 20.9472758305 0.809701275556 -2.29150085155 TCL: Center of mass = 20.9504341797 0.809702070085 -2.2913027292 TCL: Center of mass = 20.9535926733 0.80970146789 -2.29110384947 TCL: Center of mass = 20.9567538229 0.80970217739 -2.29089771592 TCL: Center of mass = 20.9599074376 0.809714400584 -2.29070175733 TCL: Center of mass = 20.963052298 0.809721408108 -2.29050287521 TCL: Center of mass = 20.9661987658 0.809721303718 -2.29030310357 TCL: Center of mass = 20.9693376561 0.809718486839 -2.29010118949 TCL: Center of mass = 20.9724704015 0.80970239335 -2.28990386099 TCL: Center of mass = 20.975610779 0.80968732743 -2.28969958695 TCL: Center of mass = 20.9787457006 0.809673863404 -2.28949069332 TCL: Center of mass = 20.9818786314 0.809677907743 -2.28928919558 TCL: Center of mass = 20.9850230997 0.809691666257 -2.28908156098 TCL: Center of mass = 20.9881692998 0.809706899124 -2.28887476289 TCL: Center of mass = 20.9913179221 0.809718941533 -2.28866704337 TCL: Center of mass = 20.9944705536 0.809735163759 -2.28846374267 TCL: Center of mass = 20.9976286063 0.809750895871 -2.28826663295 TCL: Center of mass = 21.0007880309 0.809768959781 -2.28806982216 TCL: Center of mass = 21.0039426246 0.809779719956 -2.28787821808 TCL: Center of mass = 21.0070926911 0.809783414928 -2.28768769764 TCL: Center of mass = 21.0102440775 0.809791519189 -2.28748606722 TCL: Center of mass = 21.0133948073 0.809803084189 -2.28727841113 TCL: Center of mass = 21.0165418252 0.809803193548 -2.28708214461 TCL: Center of mass = 21.0196873664 0.809810988219 -2.28688251942 TCL: Center of mass = 21.0228320284 0.80981948733 -2.28668711605 TCL: Center of mass = 21.025981262 0.809827336572 -2.28649632484 TCL: Center of mass = 21.029121231 0.809827820924 -2.28629492467 TCL: Center of mass = 21.0322639219 0.809830827181 -2.28609207202 TCL: Center of mass = 21.0354098599 0.809831470139 -2.28587432844 TCL: Center of mass = 21.0385505581 0.809836735226 -2.28565785619 TCL: Center of mass = 21.0417008364 0.809848140996 -2.28544549286 TCL: Center of mass = 21.0448593283 0.809850838571 -2.28522874947 TCL: Center of mass = 21.0480226475 0.809856349693 -2.28500850044 TCL: Center of mass = 21.0511911992 0.809855393376 -2.2848029318 TCL: Center of mass = 21.0543588348 0.809853090579 -2.28458841837 TCL: Center of mass = 21.0575252392 0.809840431146 -2.28438328726 TCL: Center of mass = 21.060700485 0.809823192231 -2.28419377739 TCL: Center of mass = 21.0638774111 0.809807361444 -2.28401421226 TCL: Center of mass = 21.0670533467 0.80979170814 -2.28383728793 TCL: Center of mass = 21.0702440168 0.809771492873 -2.28366506102 TCL: Center of mass = 21.0734260254 0.809753111091 -2.28350574992 TCL: Center of mass = 21.0766058924 0.809733971696 -2.28335336652 TCL: Center of mass = 21.0797808864 0.809711878517 -2.28320345795 TCL: Center of mass = 21.0829627591 0.809685036545 -2.28305110811 TCL: Center of mass = 21.086149436 0.80965218631 -2.28289191983 TCL: Center of mass = 21.0893291092 0.809628669656 -2.28273043179 TCL: Center of mass = 21.0924987363 0.809603393032 -2.28256253338 TCL: Center of mass = 21.0956614213 0.809586303272 -2.28239581529 TCL: Center of mass = 21.0988171207 0.809571806057 -2.28222116768 TCL: Center of mass = 21.1019668011 0.809559905106 -2.28207078697 TCL: Center of mass = 21.105123267 0.809550375462 -2.28190985733 TCL: Center of mass = 21.1082842101 0.809539056211 -2.28175449029 TCL: Center of mass = 21.1114409402 0.809522389209 -2.28159466594 TCL: Center of mass = 21.114596312 0.809504219667 -2.28143490224 TCL: Center of mass = 21.1177536516 0.809487860681 -2.28128249476 TCL: Center of mass = 21.1209240045 0.80946391277 -2.28112618926 TCL: Center of mass = 21.1240884533 0.809440000313 -2.28097519637 TCL: Center of mass = 21.127242717 0.809422679444 -2.28081113781 TCL: Center of mass = 21.1303948457 0.809411062797 -2.28064782503 TCL: Center of mass = 21.1335554959 0.80939776127 -2.28046808282 TCL: Center of mass = 21.1367132801 0.809383284145 -2.28028845353 TCL: Center of mass = 21.1398785789 0.809354283834 -2.28011069728 TCL: Center of mass = 21.1430350351 0.809324325468 -2.27993190418 TCL: Center of mass = 21.1461957101 0.809289185511 -2.27973653504 TCL: Center of mass = 21.1493576858 0.809251812853 -2.27954664782 TCL: Center of mass = 21.1525139296 0.809214278839 -2.2793649593 TCL: Center of mass = 21.1556644546 0.809180820854 -2.27917677155 TCL: Center of mass = 21.1588150747 0.809148580303 -2.27898236617 TCL: Center of mass = 21.161962846 0.809106149237 -2.27879467482 TCL: Center of mass = 21.1651020807 0.809062452447 -2.27860996129 TCL: Center of mass = 21.1682363397 0.809014909143 -2.27841084109 TCL: Center of mass = 21.1713682006 0.808967744087 -2.27820910007 TCL: Center of mass = 21.1745141614 0.808921713479 -2.27799518854 TCL: Center of mass = 21.177644594 0.808870251951 -2.27777481592 TCL: Center of mass = 21.180772373 0.808811823193 -2.2775579194 TIMING: 7800 CPU: 655.614, 0.0863269/step Wall: 802.443, 0.105873/step, 0.358793 hours remaining, 21806 kB of memory in use. ENERGY: 7800 386.8324 732.6251 398.8731 50.4403 -2757.9329 -219.5313 0.0000 0.0000 1105.3601 -303.3333 301.2416 -293.9752 -297.0060 310.1079 1024.7605 813.1716 64000.0000 562.7115 563.1022 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 = 21.1839047524 0.808746800544 -2.27733322213 TCL: Center of mass = 21.1870327078 0.808679588271 -2.2771142808 TCL: Center of mass = 21.1901630554 0.808609518355 -2.27689692731 TCL: Center of mass = 21.193296516 0.808540315462 -2.27668600079 TCL: Center of mass = 21.1964123356 0.808475429482 -2.27648320361 TCL: Center of mass = 21.1995231536 0.808411151258 -2.27627764297 TCL: Center of mass = 21.2026276216 0.808346573253 -2.27606328842 TCL: Center of mass = 21.2057472608 0.808274115743 -2.27584967156 TCL: Center of mass = 21.2088691122 0.80821033803 -2.27563454302 TCL: Center of mass = 21.2119836721 0.808161613897 -2.27541844127 TCL: Center of mass = 21.2151059575 0.808120529889 -2.27520353153 TCL: Center of mass = 21.2182230699 0.808086902607 -2.27497709219 TCL: Center of mass = 21.2213535357 0.808063019926 -2.27475616906 TCL: Center of mass = 21.2244966495 0.808041047423 -2.2745414336 TCL: Center of mass = 21.2276282048 0.808021404827 -2.27432181741 TCL: Center of mass = 21.2307653182 0.808002849971 -2.27408814773 TCL: Center of mass = 21.2338880071 0.807983426779 -2.2738677107 TCL: Center of mass = 21.2370193892 0.807969272137 -2.27365646239 TCL: Center of mass = 21.2401374822 0.807959232148 -2.27344388726 TCL: Center of mass = 21.2432533478 0.807951899964 -2.27323199835 TCL: Center of mass = 21.2463771401 0.807942092879 -2.27302768986 TCL: Center of mass = 21.2494906717 0.807933861599 -2.27284196933 TCL: Center of mass = 21.2526183514 0.807917245214 -2.27266600685 TCL: Center of mass = 21.2557380833 0.80790572423 -2.27249117265 TCL: Center of mass = 21.2588670699 0.807902424617 -2.27232045778 TCL: Center of mass = 21.2619913738 0.807893267136 -2.27215156196 TCL: Center of mass = 21.2651193468 0.807880181199 -2.27197252973 TCL: Center of mass = 21.2682468798 0.807854844719 -2.27180298506 TCL: Center of mass = 21.2713739962 0.807828520393 -2.2716319059 TCL: Center of mass = 21.2744993797 0.807813544426 -2.27146070867 TCL: Center of mass = 21.2776353093 0.80780240146 -2.2712973636 TCL: Center of mass = 21.2807737039 0.807805734846 -2.27111924035 TCL: Center of mass = 21.2838948934 0.807799362905 -2.2709513116 TCL: Center of mass = 21.2870194303 0.807803150821 -2.27078876689 TCL: Center of mass = 21.2901438787 0.807804602805 -2.27061563442 TCL: Center of mass = 21.2932611915 0.807804127343 -2.27043953288 TCL: Center of mass = 21.2963840523 0.807806273151 -2.27026181422 TCL: Center of mass = 21.2995033707 0.807811455224 -2.27009073817 TCL: Center of mass = 21.3026315579 0.807832282499 -2.26992932436 TCL: Center of mass = 21.3057662586 0.807849042013 -2.26977251057 TCL: Center of mass = 21.3089000977 0.807866495712 -2.26960494625 TCL: Center of mass = 21.3120377881 0.80787737826 -2.26944142384 TCL: Center of mass = 21.3151802844 0.807880600376 -2.26926608588 TCL: Center of mass = 21.3183260812 0.807889758709 -2.26909129273 TCL: Center of mass = 21.3214740286 0.807898344808 -2.26890705387 TCL: Center of mass = 21.3246259089 0.807918382536 -2.268709723 TCL: Center of mass = 21.3277770131 0.807945007323 -2.26850843823 TCL: Center of mass = 21.3309241701 0.807970630274 -2.26831287009 TCL: Center of mass = 21.3340766687 0.80799205873 -2.26811612257 TCL: Center of mass = 21.3372220405 0.807994665053 -2.26790585323 TCL: Center of mass = 21.3403681169 0.808020411817 -2.26770518245 TCL: Center of mass = 21.3435009873 0.808043364599 -2.26750168576 TCL: Center of mass = 21.3466381768 0.808065648182 -2.26730215023 TCL: Center of mass = 21.3497734265 0.80809875628 -2.26710462549 TCL: Center of mass = 21.3529075563 0.808126692379 -2.26690824127 TCL: Center of mass = 21.3560417366 0.808152893898 -2.26671139201 TCL: Center of mass = 21.3591710127 0.808181133389 -2.26650593043 TCL: Center of mass = 21.3623068814 0.808212960011 -2.2663006523 TCL: Center of mass = 21.3654403451 0.808243053053 -2.2661072681 TCL: Center of mass = 21.368566661 0.80827049969 -2.26591685878 TCL: Center of mass = 21.3716938628 0.808290154273 -2.26571879387 TCL: Center of mass = 21.3748227238 0.808308677394 -2.26551657117 TCL: Center of mass = 21.3779440845 0.808326499392 -2.2653194692 TCL: Center of mass = 21.3810697485 0.808357161703 -2.26511426794 TCL: Center of mass = 21.3841947995 0.808383544342 -2.26490503338 TCL: Center of mass = 21.3873254114 0.808414808026 -2.26470847399 TCL: Center of mass = 21.3904614117 0.808463023004 -2.26452031719 TCL: Center of mass = 21.3935844604 0.808499663315 -2.26434538079 TCL: Center of mass = 21.396701628 0.808540350391 -2.26417627994 TCL: Center of mass = 21.3998179837 0.808571506545 -2.26399906665 TCL: Center of mass = 21.4029353801 0.808606377841 -2.26381959201 TCL: Center of mass = 21.4060517149 0.808647896169 -2.26363707588 TCL: Center of mass = 21.4091725795 0.808691194204 -2.26345967847 TCL: Center of mass = 21.4122899394 0.808729786498 -2.26329265868 TCL: Center of mass = 21.4154032471 0.808764463143 -2.26312115822 TCL: Center of mass = 21.418511498 0.808797000089 -2.26294400093 TCL: Center of mass = 21.4216236281 0.808828466962 -2.26277081863 TCL: Center of mass = 21.4247459867 0.808855469919 -2.26259905822 TCL: Center of mass = 21.427861813 0.808889570475 -2.26243234247 TCL: Center of mass = 21.4309856451 0.808912401534 -2.26227109254 TCL: Center of mass = 21.4341091422 0.808926490193 -2.26210809862 TCL: Center of mass = 21.4372314143 0.808940132362 -2.26194635642 TCL: Center of mass = 21.4403494377 0.808951157455 -2.26178253815 TCL: Center of mass = 21.4434669925 0.808975914833 -2.26161406493 TCL: Center of mass = 21.4465928293 0.808999575354 -2.26145095682 TCL: Center of mass = 21.4497350415 0.809014543378 -2.26127814807 TCL: Center of mass = 21.4528875361 0.809024566882 -2.26110347672 TCL: Center of mass = 21.4560476321 0.809021954839 -2.26092392735 TCL: Center of mass = 21.4592181301 0.809018362901 -2.26074536023 TCL: Center of mass = 21.4623935488 0.809014599034 -2.26056682209 TCL: Center of mass = 21.4655657046 0.809008979394 -2.2604015657 TCL: Center of mass = 21.4687348606 0.80901703374 -2.26022509991 TCL: Center of mass = 21.4719039947 0.80902685983 -2.26004970089 TCL: Center of mass = 21.475077973 0.809038816154 -2.2598865533 TCL: Center of mass = 21.4782592283 0.809049191741 -2.25972479962 TCL: Center of mass = 21.4814310399 0.80905553218 -2.25957025531 TCL: Center of mass = 21.4845962028 0.809067106759 -2.25940586217 TCL: Center of mass = 21.4877552233 0.809072404178 -2.25925707624 TCL: Center of mass = 21.4909112118 0.809074866267 -2.25910522528 TCL: Center of mass = 21.494050019 0.809069983548 -2.25895082473 TIMING: 7900 CPU: 664.252, 0.0863769/step Wall: 813.034, 0.105913/step, 0.355985 hours remaining, 21862 kB of memory in use. ENERGY: 7900 415.3556 703.4214 399.1211 46.7773 -2809.6662 -191.9164 0.0000 0.0000 1125.0203 -311.8869 306.5995 -303.1122 -303.6837 312.0766 596.9109 967.4159 64000.0000 671.8575 671.7078 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 = 21.4971955263 0.809055377638 -2.25879458592 TCL: Center of mass = 21.5003383313 0.809039511187 -2.25863880875 TCL: Center of mass = 21.5034838101 0.809014247607 -2.2584753338 TCL: Center of mass = 21.5066368704 0.808990326311 -2.25830761689 TCL: Center of mass = 21.509788869 0.808970003653 -2.25814014742 TCL: Center of mass = 21.5129459649 0.808945794562 -2.25798045022 TCL: Center of mass = 21.5160870112 0.808923533561 -2.25781502137 TCL: Center of mass = 21.5192327034 0.808919188154 -2.25764740707 TCL: Center of mass = 21.522380325 0.80890510645 -2.25748172548 TCL: Center of mass = 21.5255290899 0.808885828501 -2.25731555484 TCL: Center of mass = 21.5286746077 0.808862014578 -2.25714724767 TCL: Center of mass = 21.5318230313 0.808836682101 -2.25698578293 TCL: Center of mass = 21.5349714038 0.808808709852 -2.25681569926 TCL: Center of mass = 21.5381154078 0.808778548622 -2.2566529943 TCL: Center of mass = 21.5412637081 0.808727384052 -2.25649619417 TCL: Center of mass = 21.5444167208 0.808689269721 -2.2563363921 TCL: Center of mass = 21.547568327 0.808651840527 -2.25617259821 TCL: Center of mass = 21.5507217062 0.80859898222 -2.25601384195 TCL: Center of mass = 21.5538696059 0.808550752683 -2.25585782278 TCL: Center of mass = 21.5570258903 0.808501649692 -2.25570459439 TCL: Center of mass = 21.5601971913 0.808458632714 -2.25555748883 TCL: Center of mass = 21.5633704671 0.808408869855 -2.255405393 TCL: Center of mass = 21.5665532991 0.808350798461 -2.25524855952 TCL: Center of mass = 21.5697405533 0.808301564745 -2.25507584081 TCL: Center of mass = 21.5729253514 0.808254256575 -2.25490674846 TCL: Center of mass = 21.5761100808 0.808215059477 -2.25473950515 TCL: Center of mass = 21.5792857411 0.808184761808 -2.25457316513 TCL: Center of mass = 21.5824720326 0.808152390686 -2.25440687604 TCL: Center of mass = 21.5856597238 0.808116465333 -2.25423326145 TCL: Center of mass = 21.5888497289 0.808087385435 -2.25405505119 TCL: Center of mass = 21.5920388674 0.808052997212 -2.25386886251 TCL: Center of mass = 21.5952182304 0.808021960535 -2.25367479078 TCL: Center of mass = 21.5983932829 0.807996221859 -2.25346227078 TCL: Center of mass = 21.6015778927 0.807969918788 -2.25326284547 TCL: Center of mass = 21.6047613343 0.807943764239 -2.25305458607 TCL: Center of mass = 21.6079471047 0.807923830861 -2.25284913359 TCL: Center of mass = 21.6111349989 0.807902815305 -2.25263692552 TCL: Center of mass = 21.6143171613 0.807878535496 -2.2524270279 TCL: Center of mass = 21.6175019223 0.807845807425 -2.25221503727 TCL: Center of mass = 21.6206801248 0.80781617627 -2.2520030689 TCL: Center of mass = 21.6238465973 0.807777219796 -2.25179261005 TCL: Center of mass = 21.6270120921 0.80772772576 -2.25158900948 TCL: Center of mass = 21.6301860474 0.807687730498 -2.2513910233 TCL: Center of mass = 21.633350849 0.807647914946 -2.25119718658 TCL: Center of mass = 21.6365192566 0.807606667169 -2.25099621577 TCL: Center of mass = 21.6396923511 0.807580746077 -2.25078476828 TCL: Center of mass = 21.642862776 0.807569529353 -2.25056206757 TCL: Center of mass = 21.6460245111 0.80755720358 -2.25034785565 TCL: Center of mass = 21.6491992407 0.80753496417 -2.25013172445 TCL: Center of mass = 21.6523695771 0.807521918147 -2.24989449471 TCL: Center of mass = 21.6555407442 0.807506452672 -2.24965573298 TCL: Center of mass = 21.6587046115 0.80749720336 -2.24941696015 TCL: Center of mass = 21.6618698513 0.807484142519 -2.24919602865 TCL: Center of mass = 21.6650318728 0.807460056051 -2.24896716958 TCL: Center of mass = 21.6682023093 0.807432447478 -2.24874363949 TCL: Center of mass = 21.6713797752 0.807398979569 -2.24852169154 TCL: Center of mass = 21.6745570621 0.807363442529 -2.2483078998 TCL: Center of mass = 21.6777353345 0.807318944614 -2.24808903128 TCL: Center of mass = 21.6809026182 0.807281772008 -2.24785348805 TCL: Center of mass = 21.6840728231 0.807241213097 -2.24761440675 TCL: Center of mass = 21.6872555588 0.807199539065 -2.24737800259 TCL: Center of mass = 21.6904488355 0.807170513143 -2.24714716346 TCL: Center of mass = 21.693641238 0.807141818491 -2.24690856964 TCL: Center of mass = 21.6968404501 0.807118814657 -2.24666962016 TCL: Center of mass = 21.7000383295 0.807097803283 -2.24643256929 TCL: Center of mass = 21.7032312586 0.807082613009 -2.24620037629 TCL: Center of mass = 21.7064253393 0.807062110336 -2.245976519 TCL: Center of mass = 21.7096241176 0.807038350236 -2.24573712236 TCL: Center of mass = 21.7128158792 0.806994469072 -2.24549455635 TCL: Center of mass = 21.7160123457 0.806955684926 -2.24526417594 TCL: Center of mass = 21.7192098996 0.806917229505 -2.24503960521 TCL: Center of mass = 21.7224137361 0.80688586413 -2.24481581128 TCL: Center of mass = 21.7256147477 0.806854552269 -2.24459460975 TCL: Center of mass = 21.7288104213 0.806814919489 -2.24437295146 TCL: Center of mass = 21.7320033281 0.806779271059 -2.24414546967 TCL: Center of mass = 21.7352002909 0.806747573677 -2.24392503715 TCL: Center of mass = 21.7383921742 0.806709950392 -2.24370173684 TCL: Center of mass = 21.7415743281 0.806670083571 -2.24346622418 TCL: Center of mass = 21.7447521624 0.806626322186 -2.24322765761 TCL: Center of mass = 21.7479291524 0.806583056709 -2.24298533026 TCL: Center of mass = 21.7511160629 0.80654166283 -2.2427500826 TCL: Center of mass = 21.7543088135 0.806490360072 -2.24251917568 TCL: Center of mass = 21.757507932 0.806439457739 -2.24229549806 TCL: Center of mass = 21.7607006218 0.806398403568 -2.24207460765 TCL: Center of mass = 21.7638828735 0.806352143467 -2.24183908814 TCL: Center of mass = 21.7670632536 0.806308876175 -2.24160509181 TCL: Center of mass = 21.7702511118 0.806265154697 -2.24137080858 TCL: Center of mass = 21.7734415037 0.806213680943 -2.24113249645 TCL: Center of mass = 21.7766252177 0.806173126453 -2.24089008956 TCL: Center of mass = 21.7798153963 0.806144266972 -2.24065472364 TCL: Center of mass = 21.783010177 0.806108357082 -2.24040780303 TCL: Center of mass = 21.7862073136 0.806059564735 -2.24015433813 TCL: Center of mass = 21.7894083453 0.806023032183 -2.239902122 TCL: Center of mass = 21.7926112166 0.805990144526 -2.23964728816 TCL: Center of mass = 21.7958193339 0.805957461961 -2.23938763228 TCL: Center of mass = 21.7990339725 0.805921982006 -2.23913745946 TCL: Center of mass = 21.8022416888 0.805889049331 -2.23888398813 TCL: Center of mass = 21.8054453401 0.805859376018 -2.23863663318 TCL: Center of mass = 21.8086605574 0.805829781948 -2.23837893486 TCL: Center of mass = 21.8118769815 0.805795644828 -2.23811936006 TIMING: 8000 CPU: 672.886, 0.0863369/step Wall: 823.621, 0.105867/step, 0.352889 hours remaining, 21920 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 400.4599 689.3207 422.3894 41.4752 -2778.3227 -208.6233 0.0000 0.0000 1127.1536 -306.1472 307.1809 -297.4131 -297.6595 309.4279 420.7254 615.2506 64000.0000 591.7015 582.3408 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 = 21.8150872106 0.805761246136 -2.23786245185 TCL: Center of mass = 21.8182939763 0.805727565166 -2.23760553466 TCL: Center of mass = 21.8215086161 0.805694397108 -2.23733800527 TCL: Center of mass = 21.8247174863 0.805670467103 -2.237077133 TCL: Center of mass = 21.8279325437 0.805640944981 -2.23681792384 TCL: Center of mass = 21.8311534142 0.805601331308 -2.23657411813 TCL: Center of mass = 21.8343749781 0.805546710967 -2.23632846379 TCL: Center of mass = 21.8376081706 0.805491738003 -2.23608621335 TCL: Center of mass = 21.8408354341 0.80543644447 -2.23584450524 TCL: Center of mass = 21.8440643627 0.80538767718 -2.23560734328 TCL: Center of mass = 21.8472986124 0.80533559843 -2.23537716507 TCL: Center of mass = 21.8505291395 0.805292859825 -2.23514119216 TCL: Center of mass = 21.8537710663 0.805258557286 -2.23489781718 TCL: Center of mass = 21.8570015639 0.805227017827 -2.23467753526 TCL: Center of mass = 21.860226856 0.805196101838 -2.23445715296 TCL: Center of mass = 21.863442706 0.805167072499 -2.23422779129 TCL: Center of mass = 21.8666625412 0.805140165579 -2.23401630803 TCL: Center of mass = 21.8698769326 0.805119724055 -2.23380611641 TCL: Center of mass = 21.8730964244 0.805096031401 -2.233601156 TCL: Center of mass = 21.8763314139 0.805073665719 -2.23339138452 TCL: Center of mass = 21.8795625591 0.805048924011 -2.23317912871 TCL: Center of mass = 21.8827883855 0.805020869018 -2.23297187353 TCL: Center of mass = 21.8860052301 0.804995855121 -2.23275063501 TCL: Center of mass = 21.8892291697 0.804954782301 -2.23253208697 TCL: Center of mass = 21.8924491735 0.804900784752 -2.23231544924 TCL: Center of mass = 21.8956728402 0.804856282435 -2.23210240169 TCL: Center of mass = 21.8989091655 0.804809795178 -2.23189167245 TCL: Center of mass = 21.9021580176 0.80475963694 -2.23167630719 TCL: Center of mass = 21.905410653 0.804705364316 -2.23147092254 TCL: Center of mass = 21.9086722695 0.804657173053 -2.23126244274 TCL: Center of mass = 21.9119323143 0.804606779835 -2.2310545873 TCL: Center of mass = 21.9151962453 0.804553420596 -2.23084263418 TCL: Center of mass = 21.9184584539 0.804503367428 -2.23060906429 TCL: Center of mass = 21.9217228814 0.804460579265 -2.23038569341 TCL: Center of mass = 21.9249916725 0.804413077172 -2.2301531578 TCL: Center of mass = 21.928265588 0.804378076294 -2.22993068711 TCL: Center of mass = 21.9315364696 0.804353215254 -2.22971957734 TCL: Center of mass = 21.934807064 0.80432016458 -2.22949604825 TCL: Center of mass = 21.9380831569 0.804295482707 -2.22926803257 TCL: Center of mass = 21.941355561 0.804273451221 -2.22905628107 TCL: Center of mass = 21.9446198785 0.804254614284 -2.22882865459 TCL: Center of mass = 21.9478919392 0.804236586073 -2.22861065227 TCL: Center of mass = 21.9511563909 0.804231472358 -2.22837801459 TCL: Center of mass = 21.9544127107 0.80422963096 -2.22813853392 TCL: Center of mass = 21.9576659586 0.804216732041 -2.22790140059 TCL: Center of mass = 21.96092103 0.804205206194 -2.22765614685 TCL: Center of mass = 21.9641942599 0.80419493144 -2.22741821579 TCL: Center of mass = 21.967471228 0.804182246457 -2.22717325298 TCL: Center of mass = 21.9707505454 0.804170087077 -2.22692283401 TCL: Center of mass = 21.974028843 0.804166572991 -2.22667099861 TCL: Center of mass = 21.9773025716 0.804158431171 -2.22641851259 TCL: Center of mass = 21.9805773385 0.804149735331 -2.22616599491 TCL: Center of mass = 21.9838448924 0.804135124533 -2.22591847369 TCL: Center of mass = 21.9871197077 0.804128951627 -2.2256787051 TCL: Center of mass = 21.9903980293 0.804125030605 -2.22542959714 TCL: Center of mass = 21.9936714079 0.80412811997 -2.22517454956 TCL: Center of mass = 21.9969404397 0.804133327707 -2.22492255905 TCL: Center of mass = 22.000201823 0.804138764919 -2.22466646022 TCL: Center of mass = 22.0034629718 0.804139216406 -2.22440325777 TCL: Center of mass = 22.006718546 0.804133290857 -2.22413856635 TCL: Center of mass = 22.0099784862 0.804131365787 -2.22386712806 TCL: Center of mass = 22.0132446615 0.804134112499 -2.22359052773 TCL: Center of mass = 22.0165152142 0.804149517663 -2.2233154098 TCL: Center of mass = 22.0197759418 0.804153244182 -2.22304387145 TCL: Center of mass = 22.0230434502 0.804155210275 -2.22277297663 TCL: Center of mass = 22.0263104046 0.804162781611 -2.22249352113 TCL: Center of mass = 22.0295761333 0.804177364072 -2.22221220387 TCL: Center of mass = 22.0328419561 0.804184831892 -2.22194015748 TCL: Center of mass = 22.0361119278 0.804195310985 -2.22166670781 TCL: Center of mass = 22.0393912818 0.804218741888 -2.2213905592 TCL: Center of mass = 22.0426618396 0.804244960034 -2.22112160855 TCL: Center of mass = 22.0459441331 0.804273645525 -2.22085410159 TCL: Center of mass = 22.0492230065 0.804306432251 -2.22059349924 TCL: Center of mass = 22.0525069755 0.804347589005 -2.22033238152 TCL: Center of mass = 22.0558026272 0.804387014794 -2.22007819162 TCL: Center of mass = 22.0591039484 0.804434175114 -2.21984533874 TCL: Center of mass = 22.0624083887 0.804475103741 -2.21960054879 TCL: Center of mass = 22.0657212818 0.80451179167 -2.21937168688 TCL: Center of mass = 22.0690250155 0.804558530118 -2.21915284105 TCL: Center of mass = 22.0723347329 0.804602033486 -2.21894194602 TCL: Center of mass = 22.0756445274 0.804647706591 -2.21873115959 TCL: Center of mass = 22.0789497267 0.804701628354 -2.21852524236 TCL: Center of mass = 22.0822503831 0.804760305653 -2.21832135429 TCL: Center of mass = 22.0855406074 0.804806527838 -2.21811989095 TCL: Center of mass = 22.0888368382 0.804846268236 -2.2179097572 TCL: Center of mass = 22.0921285724 0.804890544776 -2.2176982588 TCL: Center of mass = 22.0954219502 0.804939312808 -2.21747263483 TCL: Center of mass = 22.0987141582 0.804991053241 -2.21724830881 TCL: Center of mass = 22.1020005716 0.805029200636 -2.21701515924 TCL: Center of mass = 22.1052865903 0.805069827185 -2.21679146833 TCL: Center of mass = 22.1085708328 0.80510609393 -2.21656286218 TCL: Center of mass = 22.1118575507 0.805145829492 -2.21633194555 TCL: Center of mass = 22.1151598148 0.805194856796 -2.2161082429 TCL: Center of mass = 22.118446872 0.805227203892 -2.21588578408 TCL: Center of mass = 22.1217450464 0.805247704398 -2.21567038889 TCL: Center of mass = 22.1250339878 0.805261567832 -2.21545210595 TCL: Center of mass = 22.1283230868 0.805274441674 -2.21523926534 TCL: Center of mass = 22.1316045181 0.805280838756 -2.21503341298 TCL: Center of mass = 22.1348825857 0.805285130753 -2.2148345945 TCL: Center of mass = 22.1381660836 0.805275394587 -2.21463819866 TIMING: 8100 CPU: 681.555, 0.0866968/step Wall: 834.253, 0.106323/step, 0.351455 hours remaining, 21921 kB of memory in use. ENERGY: 8100 406.8198 695.8224 401.4352 45.8449 -2762.9753 -229.5010 0.0000 0.0000 1145.0330 -297.5210 312.0535 -288.6340 -289.3619 312.1498 -119.1882 103.9719 64000.0000 397.1826 394.5899 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 = 22.1414615433 0.80527505198 -2.21444546956 TCL: Center of mass = 22.1447694677 0.805257794334 -2.21425017811 TCL: Center of mass = 22.1480683584 0.805241743774 -2.21405820238 TCL: Center of mass = 22.1513760868 0.80523170575 -2.2138817746 TCL: Center of mass = 22.1546805418 0.805227309293 -2.2137048846 TCL: Center of mass = 22.1579852888 0.805228397848 -2.21352854044 TCL: Center of mass = 22.1612790734 0.80522602232 -2.21334877206 TCL: Center of mass = 22.1645850118 0.80522516171 -2.21317316725 TCL: Center of mass = 22.1678877585 0.805214107462 -2.21300219396 TCL: Center of mass = 22.1712053945 0.805196519179 -2.21283401039 TCL: Center of mass = 22.1745156139 0.805188690405 -2.21266149964 TCL: Center of mass = 22.1778194756 0.805176583842 -2.21248185387 TCL: Center of mass = 22.181141234 0.805169040438 -2.21231002493 TCL: Center of mass = 22.1844466722 0.805153202434 -2.21214286693 TCL: Center of mass = 22.1877640978 0.805145395876 -2.2119780761 TCL: Center of mass = 22.1910763064 0.805153270426 -2.21181965485 TCL: Center of mass = 22.1943870271 0.805162736425 -2.21167026134 TCL: Center of mass = 22.1976944028 0.8051724939 -2.21151875725 TCL: Center of mass = 22.2010058613 0.805194991149 -2.21138378089 TCL: Center of mass = 22.2043214872 0.805221579857 -2.2112410572 TCL: Center of mass = 22.2076351879 0.805245591515 -2.21110069191 TCL: Center of mass = 22.2109574009 0.805246357536 -2.21096842741 TCL: Center of mass = 22.2142822855 0.805232718927 -2.21083007448 TCL: Center of mass = 22.2175996284 0.805218690699 -2.21067883214 TCL: Center of mass = 22.2209302803 0.805201353879 -2.21053079465 TCL: Center of mass = 22.2242574356 0.80518657123 -2.21040227096 TCL: Center of mass = 22.2275787635 0.805166927692 -2.21027259884 TCL: Center of mass = 22.2308986754 0.805157234018 -2.21015060116 TCL: Center of mass = 22.2342266774 0.805149809656 -2.21002030068 TCL: Center of mass = 22.2375587632 0.805144214213 -2.20989668995 TCL: Center of mass = 22.2408896575 0.805153909813 -2.20978295823 TCL: Center of mass = 22.2442260112 0.805167161957 -2.20966754086 TCL: Center of mass = 22.2475599999 0.805175501171 -2.20955333266 TCL: Center of mass = 22.2509113753 0.805178767576 -2.20944023169 TCL: Center of mass = 22.2542534954 0.805181905768 -2.20932736295 TCL: Center of mass = 22.2575929673 0.805172532853 -2.20922125895 TCL: Center of mass = 22.2609465461 0.805164264448 -2.2091080372 TCL: Center of mass = 22.2642889069 0.805147012754 -2.20900090815 TCL: Center of mass = 22.2676259356 0.805140946006 -2.20888088986 TCL: Center of mass = 22.2709634703 0.805123033334 -2.20876047646 TCL: Center of mass = 22.2742958015 0.805098550073 -2.20862635315 TCL: Center of mass = 22.2776305242 0.805072492003 -2.20848565808 TCL: Center of mass = 22.2809682338 0.805032648126 -2.20834157611 TCL: Center of mass = 22.2842995468 0.804980277091 -2.20819386828 TCL: Center of mass = 22.2876306037 0.804920806526 -2.20804750036 TCL: Center of mass = 22.2909545963 0.804864938761 -2.2078943113 TCL: Center of mass = 22.2942694529 0.804814409008 -2.2077446237 TCL: Center of mass = 22.2975789565 0.804766226048 -2.20759165158 TCL: Center of mass = 22.3008753405 0.804719664345 -2.20743299785 TCL: Center of mass = 22.304188668 0.804667796516 -2.20727378288 TCL: Center of mass = 22.3074954412 0.804625914621 -2.20711455938 TCL: Center of mass = 22.3107992031 0.804583645763 -2.20695209616 TCL: Center of mass = 22.3141174218 0.804536709797 -2.20679195191 TCL: Center of mass = 22.3174308101 0.804483796677 -2.20662954069 TCL: Center of mass = 22.3207368195 0.804438866469 -2.20646342316 TCL: Center of mass = 22.3240514707 0.804384779259 -2.20628832024 TCL: Center of mass = 22.327356649 0.804338674017 -2.20610244857 TCL: Center of mass = 22.3306605471 0.804284645176 -2.20591657812 TCL: Center of mass = 22.333964572 0.804231795173 -2.20573339752 TCL: Center of mass = 22.3372701321 0.804167340745 -2.20556330277 TCL: Center of mass = 22.3405833752 0.804098188006 -2.20539668504 TCL: Center of mass = 22.3438932293 0.804032595279 -2.20522120149 TCL: Center of mass = 22.3471971594 0.803976663016 -2.20505133025 TCL: Center of mass = 22.3505044727 0.803926052713 -2.20487600248 TCL: Center of mass = 22.3538110435 0.803877263727 -2.20469934447 TCL: Center of mass = 22.3571101917 0.80382125932 -2.20453517923 TCL: Center of mass = 22.3604122995 0.803753132999 -2.20436971954 TCL: Center of mass = 22.3637172034 0.803704424964 -2.20421299217 TCL: Center of mass = 22.3670301065 0.803657402291 -2.20405641715 TCL: Center of mass = 22.3703363947 0.803603359148 -2.203902096 TCL: Center of mass = 22.3736566387 0.803544472643 -2.20375035686 TCL: Center of mass = 22.3769710643 0.803486908654 -2.20358314189 TCL: Center of mass = 22.3802765011 0.803427557992 -2.20341484179 TCL: Center of mass = 22.3835892703 0.803372550644 -2.20324347269 TCL: Center of mass = 22.3868963438 0.803324250045 -2.20307917665 TCL: Center of mass = 22.3901978368 0.803279949782 -2.20290533212 TCL: Center of mass = 22.3935036728 0.803244022928 -2.20272857204 TCL: Center of mass = 22.3968081351 0.803212365065 -2.20255832702 TCL: Center of mass = 22.4001063548 0.803186529239 -2.20237634416 TCL: Center of mass = 22.4034030206 0.803161973914 -2.20217930986 TCL: Center of mass = 22.4067022057 0.803145369893 -2.20198501852 TCL: Center of mass = 22.4100065586 0.803129861257 -2.20178413944 TCL: Center of mass = 22.413316317 0.803126271393 -2.20158528257 TCL: Center of mass = 22.4166214467 0.803121943678 -2.20138999613 TCL: Center of mass = 22.419938666 0.803102854343 -2.20119030248 TCL: Center of mass = 22.4232524272 0.803089680948 -2.20098808842 TCL: Center of mass = 22.4265678576 0.803079427461 -2.20079418878 TCL: Center of mass = 22.4298836622 0.803061917143 -2.2006002043 TCL: Center of mass = 22.4331998535 0.803049692485 -2.20041297939 TCL: Center of mass = 22.4365245486 0.80304825733 -2.20022547576 TCL: Center of mass = 22.4398651592 0.803044536241 -2.20005017866 TCL: Center of mass = 22.4432036641 0.803038170635 -2.1998786717 TCL: Center of mass = 22.4465411635 0.803025312419 -2.19969601584 TCL: Center of mass = 22.4498683544 0.803016136991 -2.19951463609 TCL: Center of mass = 22.4531973076 0.803013857731 -2.19933869493 TCL: Center of mass = 22.4565397269 0.803014382549 -2.19915197678 TCL: Center of mass = 22.4598933847 0.803011042893 -2.19897200483 TCL: Center of mass = 22.4632328362 0.803003230368 -2.19879485793 TCL: Center of mass = 22.466582643 0.802979249739 -2.19861401174 TCL: Center of mass = 22.469933638 0.802953766844 -2.19843494567 TIMING: 8200 CPU: 690.353, 0.0879766/step Wall: 880.166, 0.459127/step, 1.50492 hours remaining, 21924 kB of memory in use. ENERGY: 8200 411.7847 692.1607 418.2677 48.4072 -2838.1907 -189.2627 0.0000 0.0000 1141.8398 -314.9932 311.1833 -305.6963 -307.7254 312.2512 -146.7856 270.8359 64000.0000 583.3140 589.7552 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 = 22.4732730704 0.802921569649 -2.19825173064 TCL: Center of mass = 22.4766119588 0.802891830891 -2.19806010596 TCL: Center of mass = 22.4799524175 0.802863762755 -2.19785657054 TCL: Center of mass = 22.4832945975 0.80284534095 -2.19764850565 TCL: Center of mass = 22.4866293112 0.802821870486 -2.19744003454 TCL: Center of mass = 22.4899642188 0.802794860761 -2.19723520153 TCL: Center of mass = 22.493296896 0.802770766611 -2.19701541784 TCL: Center of mass = 22.4966190829 0.802748830668 -2.19679135415 TCL: Center of mass = 22.4999468351 0.80272952306 -2.19657528267 TCL: Center of mass = 22.5032754256 0.802721840633 -2.19636658067 TCL: Center of mass = 22.5065943217 0.802712501382 -2.19616141796 TCL: Center of mass = 22.5098988458 0.802703458885 -2.19594885527 TCL: Center of mass = 22.5132111559 0.802691998422 -2.19575491725 TCL: Center of mass = 22.5165280019 0.802683514005 -2.19557078282 TCL: Center of mass = 22.5198441465 0.802669678055 -2.1953900331 TCL: Center of mass = 22.5231610418 0.802661578355 -2.19520702787 TCL: Center of mass = 22.5264774464 0.802658320343 -2.19501426936 TCL: Center of mass = 22.5297958822 0.802653867272 -2.19482500292 TCL: Center of mass = 22.5331168919 0.802652187582 -2.19462249055 TCL: Center of mass = 22.5364410048 0.802652251366 -2.19441585921 TCL: Center of mass = 22.5397730763 0.802635005925 -2.19420089957 TCL: Center of mass = 22.5431023466 0.802600397474 -2.19399257087 TCL: Center of mass = 22.546430844 0.802549170938 -2.19377583205 TCL: Center of mass = 22.549762146 0.80250659625 -2.19354991411 TCL: Center of mass = 22.5530704278 0.802471267544 -2.19333510385 TCL: Center of mass = 22.5563832203 0.802427703072 -2.19312635682 TCL: Center of mass = 22.5596943675 0.802393547382 -2.19292945494 TCL: Center of mass = 22.563002748 0.802361994918 -2.19271927369 TCL: Center of mass = 22.5663061527 0.80232845948 -2.19251861143 TCL: Center of mass = 22.5696147152 0.802284205881 -2.19230765885 TCL: Center of mass = 22.5729183676 0.802244708618 -2.19209519905 TCL: Center of mass = 22.5762185223 0.802209243562 -2.19187022008 TCL: Center of mass = 22.5795169864 0.802163829646 -2.19163086151 TCL: Center of mass = 22.5828186884 0.802122982087 -2.19139034246 TCL: Center of mass = 22.5861159265 0.802084914275 -2.1911574203 TCL: Center of mass = 22.5894130155 0.802036653177 -2.19092829357 TCL: Center of mass = 22.5927028398 0.801982847947 -2.19070028506 TCL: Center of mass = 22.5959921712 0.801920972878 -2.19048253492 TCL: Center of mass = 22.5992903145 0.801862474683 -2.19027167374 TCL: Center of mass = 22.6025878615 0.801798842602 -2.19006496095 TCL: Center of mass = 22.6058863902 0.80175185198 -2.18986179816 TCL: Center of mass = 22.6091881532 0.801692809971 -2.18967188869 TCL: Center of mass = 22.6124967885 0.801634118033 -2.18947600474 TCL: Center of mass = 22.6157941385 0.801576562907 -2.18928707712 TCL: Center of mass = 22.6190873799 0.801513952699 -2.18908768851 TCL: Center of mass = 22.6223720556 0.801455030617 -2.18888801685 TCL: Center of mass = 22.6256512301 0.801401609673 -2.18868084306 TCL: Center of mass = 22.6289194757 0.801350548159 -2.18847233387 TCL: Center of mass = 22.6321945924 0.801295777621 -2.18826089875 TCL: Center of mass = 22.6354717186 0.801256939596 -2.18805752538 TCL: Center of mass = 22.6387460215 0.801212118504 -2.18786093873 TCL: Center of mass = 22.6420200955 0.801159669027 -2.18765734926 TCL: Center of mass = 22.6452943562 0.801110865131 -2.18744931905 TCL: Center of mass = 22.6485753386 0.801064298444 -2.18723211686 TCL: Center of mass = 22.6518597512 0.801016404781 -2.1870156044 TCL: Center of mass = 22.6551447389 0.800970366938 -2.18679836827 TCL: Center of mass = 22.658433602 0.800926551489 -2.18655682227 TCL: Center of mass = 22.6617222111 0.800876474397 -2.18631591565 TCL: Center of mass = 22.6650099639 0.800819581432 -2.18608495933 TCL: Center of mass = 22.6683150253 0.80075664403 -2.1858533037 TCL: Center of mass = 22.6716234911 0.800688408363 -2.18562080031 TCL: Center of mass = 22.6749341106 0.800618017255 -2.18538315145 TCL: Center of mass = 22.6782440128 0.800536603201 -2.18514638867 TCL: Center of mass = 22.6815406115 0.800445624586 -2.18490540151 TCL: Center of mass = 22.6848528478 0.80035833296 -2.18466715373 TCL: Center of mass = 22.6881604232 0.80028348113 -2.18443161513 TCL: Center of mass = 22.6914675534 0.800201489961 -2.18420011903 TCL: Center of mass = 22.6947737247 0.800121105493 -2.18395135958 TCL: Center of mass = 22.6980757783 0.800044379767 -2.18370955004 TCL: Center of mass = 22.7013647417 0.79997222256 -2.18346577933 TCL: Center of mass = 22.7046505689 0.799904579055 -2.18321863023 TCL: Center of mass = 22.7079409732 0.799838601556 -2.18297496148 TCL: Center of mass = 22.7112327155 0.799771465593 -2.18272854049 TCL: Center of mass = 22.7145103875 0.799708838149 -2.18248614658 TCL: Center of mass = 22.7177785183 0.799644967652 -2.18224141343 TCL: Center of mass = 22.7210500022 0.799584672399 -2.1820019366 TCL: Center of mass = 22.7243295161 0.799522156157 -2.18175533377 TCL: Center of mass = 22.7275984156 0.799462266137 -2.18150980742 TCL: Center of mass = 22.7308772472 0.799399566745 -2.18124986607 TCL: Center of mass = 22.7341574337 0.799337041868 -2.18100067388 TCL: Center of mass = 22.737435224 0.799277430285 -2.1807422489 TCL: Center of mass = 22.7407172002 0.799203669509 -2.18049032394 TCL: Center of mass = 22.7439947961 0.799115775376 -2.18023989858 TCL: Center of mass = 22.7472689777 0.799029443769 -2.17999879163 TCL: Center of mass = 22.750537135 0.798950830539 -2.17975808044 TCL: Center of mass = 22.7538002576 0.798860303833 -2.17951759853 TCL: Center of mass = 22.7570659557 0.798767987873 -2.17927345852 TCL: Center of mass = 22.7603399358 0.798660925754 -2.17903919857 TCL: Center of mass = 22.7636093266 0.798559478268 -2.17881335668 TCL: Center of mass = 22.7668752371 0.79845190082 -2.1785937228 TCL: Center of mass = 22.7701440745 0.798335187634 -2.17838569184 TCL: Center of mass = 22.7734009272 0.798218117112 -2.17818436536 TCL: Center of mass = 22.776653321 0.798107759664 -2.17798076505 TCL: Center of mass = 22.779899789 0.798005531455 -2.17777751995 TCL: Center of mass = 22.7831303785 0.797904897828 -2.17755913499 TCL: Center of mass = 22.7863487542 0.797805687713 -2.17733122207 TCL: Center of mass = 22.7895638276 0.797718007643 -2.17711130154 TCL: Center of mass = 22.7927971333 0.797636656199 -2.17689875384 TCL: Center of mass = 22.7960290176 0.79754844151 -2.1766835229 TCL: Center of mass = 22.7992644087 0.797459618632 -2.17646740731 TIMING: 8300 CPU: 699.072, 0.0871867/step Wall: 855.509, -0.24657/step, -0.801354 hours remaining, 21926 kB of memory in use. ENERGY: 8300 396.9273 682.6446 405.8227 44.4365 -2775.5169 -225.5624 0.0000 0.0000 1155.9816 -315.2665 315.0373 -306.8546 -305.7603 311.4074 286.0812 238.6048 64000.0000 393.1110 392.1996 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 = 22.8024950785 0.797362963024 -2.17625682257 TCL: Center of mass = 22.8057320564 0.797262736186 -2.17603785916 TCL: Center of mass = 22.8089665357 0.797165537479 -2.17581846798 TCL: Center of mass = 22.8122023155 0.797065879574 -2.17559426934 TCL: Center of mass = 22.815443329 0.796969257218 -2.1753638249 TCL: Center of mass = 22.8186964269 0.796867284856 -2.17513621105 TCL: Center of mass = 22.821936592 0.796756864822 -2.17491938158 TCL: Center of mass = 22.8251854585 0.796640557282 -2.17471678522 TCL: Center of mass = 22.8284365347 0.796525445532 -2.17452000876 TCL: Center of mass = 22.831693237 0.796417126476 -2.17432772096 TCL: Center of mass = 22.8349508995 0.796304203934 -2.1741384898 TCL: Center of mass = 22.8381972761 0.796188600843 -2.17395588959 TCL: Center of mass = 22.8414453482 0.796079441732 -2.17377399477 TCL: Center of mass = 22.8446907178 0.795975983659 -2.17359533247 TCL: Center of mass = 22.8479363156 0.795868412391 -2.17342015249 TCL: Center of mass = 22.8512000475 0.795745941167 -2.17323575848 TCL: Center of mass = 22.8544689979 0.795630366733 -2.17305042774 TCL: Center of mass = 22.8577393278 0.795510885134 -2.17286002781 TCL: Center of mass = 22.8610063409 0.795392521035 -2.17267024474 TCL: Center of mass = 22.8642962054 0.795274895015 -2.17247879125 TCL: Center of mass = 22.8675794377 0.795158875609 -2.17228617214 TCL: Center of mass = 22.8708658829 0.795038872576 -2.17210351613 TCL: Center of mass = 22.8741430215 0.794920311375 -2.17192283361 TCL: Center of mass = 22.8774168907 0.794814760113 -2.17174319412 TCL: Center of mass = 22.880695667 0.794710801377 -2.17156353882 TCL: Center of mass = 22.883976001 0.79459731907 -2.1713871035 TCL: Center of mass = 22.8872516716 0.794479793055 -2.17121487443 TCL: Center of mass = 22.8905241593 0.794369402079 -2.17102513889 TCL: Center of mass = 22.8937971553 0.794269442337 -2.17084105448 TCL: Center of mass = 22.8970790446 0.794176526853 -2.17065907847 TCL: Center of mass = 22.9003731576 0.794076402374 -2.17048636858 TCL: Center of mass = 22.9036641032 0.793976124173 -2.17031410715 TCL: Center of mass = 22.9069617889 0.793875104257 -2.17013791835 TCL: Center of mass = 22.9102501448 0.793766333943 -2.16995952617 TCL: Center of mass = 22.9135387146 0.793652270647 -2.16976889945 TCL: Center of mass = 22.916828684 0.793532583537 -2.16958182647 TCL: Center of mass = 22.9201208978 0.793414595787 -2.1693982477 TCL: Center of mass = 22.9234373909 0.793295713351 -2.1692149854 TCL: Center of mass = 22.9267561449 0.79317353272 -2.16903389738 TCL: Center of mass = 22.9300868436 0.793059956791 -2.16886345149 TCL: Center of mass = 22.9334208926 0.792954305459 -2.16869848675 TCL: Center of mass = 22.9367513025 0.792835257745 -2.16852764097 TCL: Center of mass = 22.9400790179 0.792725558546 -2.16835477405 TCL: Center of mass = 22.9434035552 0.79262067733 -2.16817803491 TCL: Center of mass = 22.9467263942 0.792513542129 -2.16801468882 TCL: Center of mass = 22.950043864 0.792414357553 -2.16785653222 TCL: Center of mass = 22.9533682263 0.792316723208 -2.1677053036 TCL: Center of mass = 22.9566866623 0.792215197439 -2.16755172862 TCL: Center of mass = 22.9600041107 0.792120342102 -2.16739196389 TCL: Center of mass = 22.9633188896 0.792018532263 -2.16724240397 TCL: Center of mass = 22.9666420638 0.791920362007 -2.16708330786 TCL: Center of mass = 22.969964131 0.791821820099 -2.16691514121 TCL: Center of mass = 22.9732823021 0.79170408529 -2.16674215089 TCL: Center of mass = 22.9765812287 0.79159679086 -2.16656062112 TCL: Center of mass = 22.9798823102 0.791492856637 -2.1663811545 TCL: Center of mass = 22.9831827756 0.791391299441 -2.1661978511 TCL: Center of mass = 22.9864863015 0.791288151577 -2.16600892127 TCL: Center of mass = 22.9897911684 0.791185326041 -2.16582321072 TCL: Center of mass = 22.9931090548 0.791079266626 -2.1656290042 TCL: Center of mass = 22.9964390359 0.790969045027 -2.16544157017 TCL: Center of mass = 22.9997654065 0.790854718941 -2.16525902849 TCL: Center of mass = 23.0030929298 0.790733444363 -2.16507493808 TCL: Center of mass = 23.0064219784 0.790603086576 -2.164891988 TCL: Center of mass = 23.0097438435 0.790465633755 -2.16470829269 TCL: Center of mass = 23.0130756736 0.790328245862 -2.16452155168 TCL: Center of mass = 23.0164090258 0.790187599018 -2.16434684205 TCL: Center of mass = 23.0197341438 0.79005130115 -2.16417381326 TCL: Center of mass = 23.0230600084 0.789926382556 -2.16400543949 TCL: Center of mass = 23.0263862303 0.789801679493 -2.16382847303 TCL: Center of mass = 23.0297081529 0.789674481858 -2.16365213629 TCL: Center of mass = 23.0330369797 0.78954401898 -2.163475172 TCL: Center of mass = 23.0363623485 0.789401663133 -2.16330303714 TCL: Center of mass = 23.0396857654 0.789261232154 -2.16314087174 TCL: Center of mass = 23.0430253653 0.78911231346 -2.16298517852 TCL: Center of mass = 23.0463718466 0.788965071219 -2.16282525759 TCL: Center of mass = 23.0497112481 0.78882169515 -2.16266178633 TCL: Center of mass = 23.0530537463 0.788680451227 -2.1624972525 TCL: Center of mass = 23.0563931813 0.788547617819 -2.16233514472 TCL: Center of mass = 23.0597398246 0.788415393724 -2.16217701765 TCL: Center of mass = 23.0630902096 0.788282678087 -2.16201694272 TCL: Center of mass = 23.0664327419 0.788155139894 -2.16185333067 TCL: Center of mass = 23.0697666867 0.788030407652 -2.16167957284 TCL: Center of mass = 23.0731104357 0.787920595779 -2.1614984935 TCL: Center of mass = 23.0764548196 0.787813529753 -2.16131876105 TCL: Center of mass = 23.0797832429 0.787707873323 -2.16113177475 TCL: Center of mass = 23.0831146701 0.787607763933 -2.16094101717 TCL: Center of mass = 23.0864483553 0.787512372779 -2.16075467381 TCL: Center of mass = 23.0897694953 0.787406785103 -2.16056338125 TCL: Center of mass = 23.0930777856 0.787292768526 -2.16037227596 TCL: Center of mass = 23.096379196 0.787189727857 -2.16018120783 TCL: Center of mass = 23.099684637 0.787089143877 -2.15999608215 TCL: Center of mass = 23.1029904202 0.786993242292 -2.15981234084 TCL: Center of mass = 23.1063032256 0.786892106844 -2.15962560712 TCL: Center of mass = 23.1096098125 0.786806499428 -2.15943308389 TCL: Center of mass = 23.1129238876 0.786720838927 -2.15924770375 TCL: Center of mass = 23.1162425736 0.78664419775 -2.15906051713 TCL: Center of mass = 23.1195622889 0.786579651024 -2.15886370759 TCL: Center of mass = 23.1228875557 0.786504948395 -2.1586579589 TCL: Center of mass = 23.1262112684 0.78642549789 -2.1584554702 TCL: Center of mass = 23.1295381485 0.786362377311 -2.15825313254 TIMING: 8400 CPU: 707.708, 0.0863669/step Wall: 866.105, 0.105959/step, 0.341425 hours remaining, 22017 kB of memory in use. ENERGY: 8400 390.0908 710.2445 406.2291 40.7215 -2758.9316 -236.5865 0.0000 0.0000 1140.0706 -308.1617 310.7011 -299.5116 -299.2694 311.6837 837.1669 736.5780 64000.0000 266.6098 262.3550 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 = 23.1328794366 0.78630687711 -2.15805990859 TCL: Center of mass = 23.1362291285 0.786241374878 -2.1578566381 TCL: Center of mass = 23.139576411 0.786188738045 -2.15764746025 TCL: Center of mass = 23.1429265485 0.786129797626 -2.15744351994 TCL: Center of mass = 23.1462724172 0.786070182751 -2.15723955295 TCL: Center of mass = 23.1496292577 0.786017232817 -2.15702998622 TCL: Center of mass = 23.1529849939 0.785968955492 -2.15682146332 TCL: Center of mass = 23.1563435636 0.785920200931 -2.15661733867 TCL: Center of mass = 23.1596913607 0.785874603552 -2.15639880405 TCL: Center of mass = 23.1630375906 0.785825802911 -2.15617692167 TCL: Center of mass = 23.1663789503 0.78575933515 -2.15595852949 TCL: Center of mass = 23.1697212324 0.785697624866 -2.15574578606 TCL: Center of mass = 23.1730711857 0.785639851102 -2.15553007237 TCL: Center of mass = 23.1764193239 0.785578141728 -2.15530981323 TCL: Center of mass = 23.1797701558 0.785513820596 -2.15508855255 TCL: Center of mass = 23.1831244791 0.785463877362 -2.15486802688 TCL: Center of mass = 23.1864880772 0.785410450442 -2.15465211421 TCL: Center of mass = 23.1898535801 0.785352732129 -2.1544275043 TCL: Center of mass = 23.1932125687 0.785307409405 -2.15419602369 TCL: Center of mass = 23.1965730117 0.785259507127 -2.15396334125 TCL: Center of mass = 23.1999528157 0.785217103326 -2.15374069706 TCL: Center of mass = 23.2033331955 0.785178423546 -2.1535203958 TCL: Center of mass = 23.2067165208 0.785123735207 -2.15329311037 TCL: Center of mass = 23.2101018312 0.78506626202 -2.15306012602 TCL: Center of mass = 23.2134935685 0.785010779116 -2.15283726677 TCL: Center of mass = 23.2168904022 0.784955081402 -2.1526228306 TCL: Center of mass = 23.2202827025 0.78489762996 -2.15240824098 TCL: Center of mass = 23.2236651997 0.784835867878 -2.15219453979 TCL: Center of mass = 23.2270469253 0.784777619277 -2.15198655255 TCL: Center of mass = 23.2304288086 0.784725402591 -2.15177169566 TCL: Center of mass = 23.2338120042 0.784676230119 -2.15155704378 TCL: Center of mass = 23.237208136 0.784621066596 -2.15134105941 TCL: Center of mass = 23.240609251 0.784565864197 -2.15112453467 TCL: Center of mass = 23.2440247308 0.784495652059 -2.15091379543 TCL: Center of mass = 23.2474469217 0.784432333607 -2.15069557576 TCL: Center of mass = 23.25086556 0.784369941367 -2.15048315226 TCL: Center of mass = 23.254275184 0.784308195208 -2.15026190139 TCL: Center of mass = 23.2576840186 0.784243038068 -2.15003560146 TCL: Center of mass = 23.2610881981 0.78419114981 -2.14980574227 TCL: Center of mass = 23.2644892346 0.784138300022 -2.14957564906 TCL: Center of mass = 23.2678839946 0.784088269594 -2.14934173326 TCL: Center of mass = 23.271268895 0.784046576229 -2.14910300722 TCL: Center of mass = 23.2746493956 0.784013710227 -2.14886403161 TCL: Center of mass = 23.2780170383 0.783976739741 -2.14863332468 TCL: Center of mass = 23.2813921573 0.783940369985 -2.14839664984 TCL: Center of mass = 23.2847687113 0.783905797037 -2.14816620277 TCL: Center of mass = 23.2881414349 0.783870920623 -2.14793808138 TCL: Center of mass = 23.2915059994 0.783841855797 -2.14771591785 TCL: Center of mass = 23.2948687744 0.783807762678 -2.14749442454 TCL: Center of mass = 23.2982371169 0.783777378725 -2.14728182776 TCL: Center of mass = 23.3015991482 0.783741802715 -2.14706949321 TCL: Center of mass = 23.3049544887 0.783710993836 -2.14685492122 TCL: Center of mass = 23.3083094919 0.783677901026 -2.14664246761 TCL: Center of mass = 23.3116715432 0.783642479717 -2.14643540356 TCL: Center of mass = 23.3150294618 0.78360138098 -2.14622138033 TCL: Center of mass = 23.318386895 0.783565912807 -2.14599630347 TCL: Center of mass = 23.3217383471 0.783524908438 -2.14577799202 TCL: Center of mass = 23.325084935 0.783481826715 -2.14555760839 TCL: Center of mass = 23.3284296036 0.783440829983 -2.14533964857 TCL: Center of mass = 23.3317713325 0.783399740464 -2.14514430812 TCL: Center of mass = 23.3351119987 0.783362298393 -2.14494440426 TCL: Center of mass = 23.3384472282 0.783334496187 -2.14475898161 TCL: Center of mass = 23.3417772533 0.783305732584 -2.14456870631 TCL: Center of mass = 23.345096254 0.783272170915 -2.14438071434 TCL: Center of mass = 23.3484176619 0.783233282586 -2.14418937602 TCL: Center of mass = 23.3517493265 0.783192607364 -2.14400324557 TCL: Center of mass = 23.3550906795 0.783155098456 -2.14380849221 TCL: Center of mass = 23.3584266884 0.78312636188 -2.14362549031 TCL: Center of mass = 23.3617564331 0.7830916901 -2.14344109436 TCL: Center of mass = 23.3650821962 0.783058057902 -2.14325737066 TCL: Center of mass = 23.3683978126 0.783034963722 -2.1430687132 TCL: Center of mass = 23.3717107644 0.783019699184 -2.14287605612 TCL: Center of mass = 23.3750171169 0.783015822566 -2.14268570723 TCL: Center of mass = 23.378315896 0.783017463437 -2.14248465893 TCL: Center of mass = 23.3816163143 0.783023922377 -2.14228592521 TCL: Center of mass = 23.3849221046 0.783022754497 -2.14209074631 TCL: Center of mass = 23.3882187431 0.783021712043 -2.14189383692 TCL: Center of mass = 23.3915064906 0.783015872526 -2.14170276682 TCL: Center of mass = 23.3947991643 0.783007727875 -2.14152859381 TCL: Center of mass = 23.3981028305 0.78299938345 -2.14136517058 TCL: Center of mass = 23.4013970645 0.782976882783 -2.14120836714 TCL: Center of mass = 23.4047020984 0.782964048983 -2.14104728266 TCL: Center of mass = 23.4080155731 0.782958057225 -2.14087418155 TCL: Center of mass = 23.4113249966 0.782961851475 -2.14069403888 TCL: Center of mass = 23.4146306306 0.782965137239 -2.1405170676 TCL: Center of mass = 23.417933439 0.782973479478 -2.14034864922 TCL: Center of mass = 23.421229516 0.782971693386 -2.14017743372 TCL: Center of mass = 23.4245140881 0.782958324527 -2.14000884472 TCL: Center of mass = 23.4277989106 0.782937999123 -2.13983939616 TCL: Center of mass = 23.4310775171 0.78292073453 -2.13968286397 TCL: Center of mass = 23.4343663565 0.782895109639 -2.13951251326 TCL: Center of mass = 23.4376451871 0.782877571018 -2.1393521857 TCL: Center of mass = 23.4409302726 0.782857057375 -2.13918416967 TCL: Center of mass = 23.4442103784 0.78283288085 -2.1390164742 TCL: Center of mass = 23.4474968436 0.78281067754 -2.13886094509 TCL: Center of mass = 23.4507813652 0.782774125045 -2.13871452521 TCL: Center of mass = 23.4540662131 0.782735016836 -2.13857390427 TCL: Center of mass = 23.457355163 0.782688601685 -2.13844000925 TCL: Center of mass = 23.4606427218 0.782640509489 -2.13829705081 TCL: Center of mass = 23.4639301146 0.782601167194 -2.1381496139 TIMING: 8500 CPU: 716.372, 0.0866368/step Wall: 876.731, 0.106263/step, 0.33945 hours remaining, 22020 kB of memory in use. ENERGY: 8500 380.4728 692.6785 392.0455 36.2010 -2770.8059 -206.5285 0.0000 0.0000 1162.8264 -313.1104 316.9027 -304.9438 -302.7249 311.0145 780.8699 418.1733 64000.0000 726.9488 726.9636 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 = 23.4672135468 0.782549473519 -2.13799287552 TCL: Center of mass = 23.4705055437 0.782503386423 -2.13782862206 TCL: Center of mass = 23.4737939595 0.782442131138 -2.13766188965 TCL: Center of mass = 23.4770997116 0.782380048142 -2.13748195939 TCL: Center of mass = 23.4804046562 0.782318880634 -2.13730978871 TCL: Center of mass = 23.483705156 0.782263488215 -2.13714835437 TCL: Center of mass = 23.4869999578 0.782216449487 -2.13699020222 TCL: Center of mass = 23.490294613 0.782172128432 -2.13684202477 TCL: Center of mass = 23.4935983222 0.782119916038 -2.13668679548 TCL: Center of mass = 23.4969130204 0.782066314244 -2.13652725448 TCL: Center of mass = 23.5002232568 0.782011605153 -2.13636536544 TCL: Center of mass = 23.5035514672 0.781956050298 -2.13619206308 TCL: Center of mass = 23.506882668 0.781900006409 -2.13601138366 TCL: Center of mass = 23.5102184771 0.781839984387 -2.13582597102 TCL: Center of mass = 23.5135499091 0.781777397867 -2.13564389374 TCL: Center of mass = 23.5168811063 0.78171800891 -2.13547575043 TCL: Center of mass = 23.5202178862 0.781653810671 -2.13531952194 TCL: Center of mass = 23.5235608139 0.781580485145 -2.13517023384 TCL: Center of mass = 23.5268942354 0.781502566693 -2.13501145522 TCL: Center of mass = 23.5302149713 0.781420360205 -2.13484079665 TCL: Center of mass = 23.5335380602 0.781349995651 -2.13466735961 TCL: Center of mass = 23.5368608692 0.781276763329 -2.13450381423 TCL: Center of mass = 23.540191554 0.781197129756 -2.13433803223 TCL: Center of mass = 23.5435352828 0.781121382879 -2.1341725801 TCL: Center of mass = 23.5468805907 0.781053312429 -2.13401015171 TCL: Center of mass = 23.5502289538 0.780986052662 -2.1338538454 TCL: Center of mass = 23.5535900847 0.780916267408 -2.13369213049 TCL: Center of mass = 23.5569523426 0.780828342081 -2.13353827398 TCL: Center of mass = 23.5603167532 0.780735318311 -2.1333933894 TCL: Center of mass = 23.5636786134 0.780645700255 -2.13325919505 TCL: Center of mass = 23.5670492962 0.780558254664 -2.133128601 TCL: Center of mass = 23.5704258945 0.780480549889 -2.13301236355 TCL: Center of mass = 23.5738073136 0.780409246243 -2.13289864599 TCL: Center of mass = 23.5771876155 0.780338286568 -2.13278712716 TCL: Center of mass = 23.58056263 0.78025383131 -2.13267449895 TCL: Center of mass = 23.5839325293 0.780182686832 -2.13256028973 TCL: Center of mass = 23.5873077976 0.780117698737 -2.13245059354 TCL: Center of mass = 23.5906788891 0.780047228893 -2.13233327604 TCL: Center of mass = 23.5940491597 0.779976251674 -2.13221779918 TCL: Center of mass = 23.5974204694 0.77989932702 -2.13211380394 TCL: Center of mass = 23.600793021 0.779818958728 -2.13200429645 TCL: Center of mass = 23.6041861898 0.779726702921 -2.1318911012 TCL: Center of mass = 23.6075749091 0.779628319647 -2.13179571012 TCL: Center of mass = 23.6109695489 0.779536523404 -2.13169958329 TCL: Center of mass = 23.6143667858 0.779443516732 -2.13160032156 TCL: Center of mass = 23.6177646474 0.779349275364 -2.13152461128 TCL: Center of mass = 23.6211573967 0.779266394004 -2.13144922267 TCL: Center of mass = 23.6245610323 0.779184216979 -2.13138042364 TCL: Center of mass = 23.6279595682 0.779093125822 -2.13129498227 TCL: Center of mass = 23.6313592832 0.779008167593 -2.13120363613 TCL: Center of mass = 23.6347674298 0.778929194309 -2.13110226316 TCL: Center of mass = 23.6381794317 0.778853393709 -2.13098493383 TCL: Center of mass = 23.641587806 0.778778323493 -2.13086448474 TCL: Center of mass = 23.6449853179 0.778706535952 -2.13073982544 TCL: Center of mass = 23.6483716141 0.778624711098 -2.13061702841 TCL: Center of mass = 23.6517609797 0.778548516851 -2.13049273101 TCL: Center of mass = 23.6551576443 0.778481668776 -2.13037301018 TCL: Center of mass = 23.6585553048 0.778412524749 -2.13025823454 TCL: Center of mass = 23.6619515422 0.778342199186 -2.13014527188 TCL: Center of mass = 23.6653589922 0.778266993213 -2.13001819761 TCL: Center of mass = 23.6687583365 0.778194493676 -2.12990102217 TCL: Center of mass = 23.6721759558 0.778118444959 -2.12979624812 TCL: Center of mass = 23.6755885081 0.778046347303 -2.12969148258 TCL: Center of mass = 23.6790018435 0.777965268473 -2.12958000963 TCL: Center of mass = 23.6824032836 0.777869050051 -2.12947790511 TCL: Center of mass = 23.6858144949 0.777766048361 -2.12936921254 TCL: Center of mass = 23.6892258908 0.777665875978 -2.12926499413 TCL: Center of mass = 23.6926455437 0.77755719884 -2.12916763515 TCL: Center of mass = 23.6960734792 0.7774470452 -2.12906086988 TCL: Center of mass = 23.6995109872 0.777333088362 -2.12893975812 TCL: Center of mass = 23.7029477169 0.777228464562 -2.12881583548 TCL: Center of mass = 23.7063900753 0.777120532863 -2.12870115512 TCL: Center of mass = 23.7098342847 0.777009644103 -2.12857863294 TCL: Center of mass = 23.7132874566 0.776898057629 -2.12845115663 TCL: Center of mass = 23.7167355116 0.776790247216 -2.12833520812 TCL: Center of mass = 23.7201835107 0.776680644481 -2.12822652088 TCL: Center of mass = 23.723621433 0.776567785252 -2.12811371383 TCL: Center of mass = 23.7270522344 0.776450949234 -2.1279940392 TCL: Center of mass = 23.7304747818 0.776344618184 -2.12787295907 TCL: Center of mass = 23.733899491 0.776234116512 -2.12775390474 TCL: Center of mass = 23.7373269613 0.776129280616 -2.1276375419 TCL: Center of mass = 23.7407596829 0.776020140774 -2.12752194981 TCL: Center of mass = 23.744195657 0.775911916243 -2.12739989519 TCL: Center of mass = 23.7476234525 0.775811038676 -2.12728255668 TCL: Center of mass = 23.7510383465 0.775705018744 -2.1271728156 TCL: Center of mass = 23.7544615866 0.775614613525 -2.12706316456 TCL: Center of mass = 23.7578748248 0.775529924259 -2.12695152388 TCL: Center of mass = 23.7612903357 0.775454046055 -2.12683951103 TCL: Center of mass = 23.7646965948 0.775383272536 -2.12672926443 TCL: Center of mass = 23.7681019639 0.775302115735 -2.12661426982 TCL: Center of mass = 23.7715103626 0.775216482439 -2.12649511047 TCL: Center of mass = 23.7749288036 0.775129502907 -2.1263692254 TCL: Center of mass = 23.7783431246 0.775037321239 -2.12624182743 TCL: Center of mass = 23.7817529661 0.774941546448 -2.12610565211 TCL: Center of mass = 23.7851574259 0.774840062781 -2.12597680621 TCL: Center of mass = 23.7885615713 0.774742981838 -2.12584131115 TCL: Center of mass = 23.7919760653 0.774658341102 -2.12570444369 TCL: Center of mass = 23.7953834927 0.774576140885 -2.12557559746 TCL: Center of mass = 23.7987860786 0.774492646686 -2.12545178066 TCL: Center of mass = 23.8021894825 0.774405018241 -2.12532877659 TIMING: 8600 CPU: 725.021, 0.0864868/step Wall: 887.334, 0.106025/step, 0.335745 hours remaining, 22020 kB of memory in use. ENERGY: 8600 422.8900 701.0845 404.0470 41.8656 -2796.5150 -200.8802 0.0000 0.0000 1135.8029 -291.7052 309.5381 -282.2565 -284.6388 316.4152 1100.5643 732.8074 64000.0000 548.3491 553.0770 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 = 23.8055949493 0.774317064633 -2.12520731537 TCL: Center of mass = 23.8090051593 0.774230998899 -2.12509419982 TCL: Center of mass = 23.8124036738 0.77414948218 -2.12498604467 TCL: Center of mass = 23.8157849552 0.774064689577 -2.12487567261 TCL: Center of mass = 23.8191666842 0.773985243241 -2.1247625302 TCL: Center of mass = 23.8225401106 0.773894987032 -2.124656788 TCL: Center of mass = 23.8259075344 0.773809141331 -2.12454240235 TCL: Center of mass = 23.8292853048 0.773732698339 -2.12442952566 TCL: Center of mass = 23.8326763414 0.773658129477 -2.12432519981 TCL: Center of mass = 23.8360749063 0.773584497019 -2.12422418252 TCL: Center of mass = 23.8394754192 0.773519672025 -2.12413032438 TCL: Center of mass = 23.842874995 0.773451997217 -2.12402850268 TCL: Center of mass = 23.8462672943 0.773390856289 -2.12391693049 TCL: Center of mass = 23.8496486473 0.773319761475 -2.12379938248 TCL: Center of mass = 23.8530235392 0.773251152452 -2.12368627615 TCL: Center of mass = 23.8563980583 0.773174358925 -2.12359032423 TCL: Center of mass = 23.8597684237 0.773103675243 -2.12350518436 TCL: Center of mass = 23.863154899 0.773033709952 -2.12341508417 TCL: Center of mass = 23.8665522325 0.772967982302 -2.12332812112 TCL: Center of mass = 23.8699429276 0.772898029031 -2.12324304645 TCL: Center of mass = 23.8733374391 0.772838596742 -2.1231477613 TCL: Center of mass = 23.8767409332 0.772783681971 -2.12306092761 TCL: Center of mass = 23.8801422179 0.772724820503 -2.12298014822 TCL: Center of mass = 23.8835404572 0.772654985784 -2.12290826292 TCL: Center of mass = 23.8869326396 0.772586357666 -2.1228387631 TCL: Center of mass = 23.8903337899 0.772526430337 -2.12277865204 TCL: Center of mass = 23.8937388997 0.772470784998 -2.12272193272 TCL: Center of mass = 23.8971454377 0.772428609384 -2.12266297667 TCL: Center of mass = 23.9005646266 0.772382745759 -2.12261326338 TCL: Center of mass = 23.9039809068 0.772351968538 -2.122552467 TCL: Center of mass = 23.907399115 0.772323218589 -2.12249710279 TCL: Center of mass = 23.9108116144 0.772282185109 -2.12243375541 TCL: Center of mass = 23.9142196745 0.772229225703 -2.12236523245 TCL: Center of mass = 23.9176274218 0.772171834104 -2.12229521474 TCL: Center of mass = 23.9210328721 0.772114533236 -2.12223085452 TCL: Center of mass = 23.9244417989 0.772057134359 -2.12217067825 TCL: Center of mass = 23.9278571882 0.771990146888 -2.12211363299 TCL: Center of mass = 23.9312681201 0.771921838828 -2.12204637437 TCL: Center of mass = 23.9346857264 0.771854864095 -2.12197967464 TCL: Center of mass = 23.938098767 0.771788415368 -2.12190601326 TCL: Center of mass = 23.9415053996 0.771717130513 -2.12183390598 TCL: Center of mass = 23.944903259 0.771648217856 -2.12176343496 TCL: Center of mass = 23.9483087654 0.771583103872 -2.12170109539 TCL: Center of mass = 23.9517135004 0.771511695627 -2.12163332326 TCL: Center of mass = 23.9551151244 0.771446041399 -2.12155632832 TCL: Center of mass = 23.9585211884 0.771383456579 -2.12147476285 TCL: Center of mass = 23.9619221071 0.771323993006 -2.12139756701 TCL: Center of mass = 23.9653225614 0.771261158024 -2.12131733301 TCL: Center of mass = 23.9687193773 0.771182196554 -2.12124165132 TCL: Center of mass = 23.9721200619 0.77111541143 -2.12116158073 TCL: Center of mass = 23.9755129159 0.771055634789 -2.12106453884 TCL: Center of mass = 23.978909102 0.771002187942 -2.12096710791 TCL: Center of mass = 23.9823066318 0.770952908642 -2.12087002078 TCL: Center of mass = 23.9857080678 0.770891590106 -2.12077417978 TCL: Center of mass = 23.9891093618 0.770830794633 -2.12066998883 TCL: Center of mass = 23.9924970474 0.770768622052 -2.12055829851 TCL: Center of mass = 23.995874388 0.770692270145 -2.12044318137 TCL: Center of mass = 23.9992534702 0.770618337208 -2.12033978311 TCL: Center of mass = 24.0026293032 0.770548434904 -2.12022842139 TCL: Center of mass = 24.0060090152 0.770472997674 -2.12011543215 TCL: Center of mass = 24.009387805 0.770397301974 -2.11999692152 TCL: Center of mass = 24.012763602 0.770312605487 -2.11988151803 TCL: Center of mass = 24.0161356173 0.770227583025 -2.11975877977 TCL: Center of mass = 24.0195030812 0.770143556059 -2.11963550867 TCL: Center of mass = 24.0228820204 0.770052103015 -2.11951176971 TCL: Center of mass = 24.0262641373 0.769960815624 -2.11938809553 TCL: Center of mass = 24.029646233 0.769868672653 -2.11925066999 TCL: Center of mass = 24.0330262608 0.769784922601 -2.11910769576 TCL: Center of mass = 24.0364134962 0.769691744181 -2.11896771199 TCL: Center of mass = 24.0398013183 0.769599991681 -2.11883981673 TCL: Center of mass = 24.0431829616 0.769511147719 -2.11871247001 TCL: Center of mass = 24.0465692331 0.769420509267 -2.11858341957 TCL: Center of mass = 24.0499709526 0.769327652586 -2.1184476165 TCL: Center of mass = 24.0533690617 0.769233547459 -2.11831487488 TCL: Center of mass = 24.0567614105 0.769133040195 -2.11817365653 TCL: Center of mass = 24.0601433824 0.769027271395 -2.11802286332 TCL: Center of mass = 24.0635297712 0.768913996278 -2.11787429956 TCL: Center of mass = 24.0669157176 0.768801559733 -2.11773661167 TCL: Center of mass = 24.0702964739 0.768669696229 -2.11759203757 TCL: Center of mass = 24.0736830695 0.7685448461 -2.11743571357 TCL: Center of mass = 24.0770614718 0.768409995867 -2.11728340182 TCL: Center of mass = 24.0804311038 0.768286336237 -2.11712113041 TCL: Center of mass = 24.0837940027 0.768176843855 -2.11696318882 TCL: Center of mass = 24.0871576143 0.768060218017 -2.11680259913 TCL: Center of mass = 24.0905208627 0.767950382353 -2.11664977555 TCL: Center of mass = 24.0938686314 0.767828261465 -2.11649211504 TCL: Center of mass = 24.0972105536 0.767716128047 -2.11633827464 TCL: Center of mass = 24.100556605 0.767609603524 -2.11619100847 TCL: Center of mass = 24.1039002355 0.767497800834 -2.11605286707 TCL: Center of mass = 24.1072469005 0.767386644331 -2.11592157029 TCL: Center of mass = 24.1105899788 0.767278165092 -2.11579359294 TCL: Center of mass = 24.1139305862 0.767173435444 -2.11566084747 TCL: Center of mass = 24.1172699171 0.767072394046 -2.11552475013 TCL: Center of mass = 24.1206209384 0.766973928918 -2.11538202263 TCL: Center of mass = 24.1239784853 0.766876383632 -2.11523389308 TCL: Center of mass = 24.1273345713 0.766784949133 -2.11509083708 TCL: Center of mass = 24.1306808921 0.766692861927 -2.11493614606 TCL: Center of mass = 24.1340156528 0.766608513811 -2.11479522399 TCL: Center of mass = 24.1373532913 0.766523359314 -2.11464853673 TCL: Center of mass = 24.1407008931 0.766432417916 -2.11451879632 TIMING: 8700 CPU: 733.663, 0.0864269/step Wall: 897.932, 0.105985/step, 0.332675 hours remaining, 22021 kB of memory in use. ENERGY: 8700 401.9377 681.0966 414.6600 52.2334 -2789.7750 -219.0450 0.0000 0.0000 1164.7435 -294.1488 317.4252 -284.6246 -287.0934 316.0592 359.4554 523.2553 64000.0000 622.6770 625.8508 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 = 24.1440370455 0.76633942225 -2.11439667697 TCL: Center of mass = 24.1473673947 0.766242466225 -2.11428366303 TCL: Center of mass = 24.1506924883 0.766144698664 -2.11417042232 TCL: Center of mass = 24.1540187579 0.766039696817 -2.11405233464 TCL: Center of mass = 24.1573596498 0.765929847202 -2.11394196924 TCL: Center of mass = 24.1606984027 0.765820539382 -2.11382888909 TCL: Center of mass = 24.1640377199 0.765713252705 -2.11371466015 TCL: Center of mass = 24.1673746676 0.76560624818 -2.11359917276 TCL: Center of mass = 24.1706990537 0.765504447294 -2.11348673025 TCL: Center of mass = 24.1740179435 0.76539619735 -2.11338379691 TCL: Center of mass = 24.1773299607 0.765292859378 -2.11329225086 TCL: Center of mass = 24.180636456 0.765177364477 -2.11320248083 TCL: Center of mass = 24.1839397171 0.765067790791 -2.11311889487 TCL: Center of mass = 24.1872576159 0.764961284583 -2.11302490145 TCL: Center of mass = 24.1905706624 0.764857552669 -2.11293339927 TCL: Center of mass = 24.1938947711 0.764746210746 -2.11284907378 TCL: Center of mass = 24.1972071105 0.764635295475 -2.11276113909 TCL: Center of mass = 24.2005275619 0.764523965369 -2.1126649127 TCL: Center of mass = 24.2038464165 0.764412282002 -2.11256609192 TCL: Center of mass = 24.2071683056 0.76429248415 -2.11246946386 TCL: Center of mass = 24.2104850828 0.764175410385 -2.11236730129 TCL: Center of mass = 24.2137884353 0.764060285227 -2.11226769169 TCL: Center of mass = 24.2170948833 0.763935438314 -2.11216951811 TCL: Center of mass = 24.2203931429 0.763810767997 -2.11207502037 TCL: Center of mass = 24.2236896148 0.763692097898 -2.11197855898 TCL: Center of mass = 24.226990372 0.763565005695 -2.11189544713 TCL: Center of mass = 24.2302697714 0.763432585644 -2.1118174403 TCL: Center of mass = 24.2335542695 0.763297841762 -2.11174649996 TCL: Center of mass = 24.2368240944 0.763153384081 -2.11167529739 TCL: Center of mass = 24.2400936286 0.763006561042 -2.11159661013 TCL: Center of mass = 24.2433671594 0.762858020345 -2.11152298463 TCL: Center of mass = 24.2466333625 0.762714157504 -2.11144376299 TCL: Center of mass = 24.2499075202 0.762576547643 -2.1113570072 TCL: Center of mass = 24.253178804 0.762442259768 -2.11127244 TCL: Center of mass = 24.2564439213 0.762303720222 -2.11118605141 TCL: Center of mass = 24.259707961 0.762166738748 -2.11109922701 TCL: Center of mass = 24.2629649467 0.762020313306 -2.11102151385 TCL: Center of mass = 24.2662233888 0.761865406313 -2.11094344657 TCL: Center of mass = 24.2694796335 0.761716031128 -2.11086801983 TCL: Center of mass = 24.2727386243 0.761553171078 -2.11079616701 TCL: Center of mass = 24.2759824195 0.76139611688 -2.11073244465 TCL: Center of mass = 24.2792244333 0.761236235383 -2.11067184177 TCL: Center of mass = 24.2824627581 0.761084369014 -2.11061321117 TCL: Center of mass = 24.2856993768 0.760949819568 -2.11054572781 TCL: Center of mass = 24.2889309762 0.760811974502 -2.11046308802 TCL: Center of mass = 24.2921595382 0.760674810258 -2.11038372396 TCL: Center of mass = 24.2954050036 0.760536430899 -2.11030314138 TCL: Center of mass = 24.2986452888 0.760397429572 -2.11021777192 TCL: Center of mass = 24.3018885029 0.760259791924 -2.11013953123 TCL: Center of mass = 24.3051207625 0.760117909727 -2.11006559282 TCL: Center of mass = 24.3083473399 0.759971692013 -2.10999974801 TCL: Center of mass = 24.3115564449 0.759830785914 -2.10993890281 TCL: Center of mass = 24.3147717256 0.759692234777 -2.10987229404 TCL: Center of mass = 24.3179768074 0.759557193567 -2.10980511927 TCL: Center of mass = 24.321177642 0.759408654266 -2.10972507194 TCL: Center of mass = 24.3243735902 0.759263859599 -2.10965428502 TCL: Center of mass = 24.3275560697 0.759111496676 -2.10958932039 TCL: Center of mass = 24.3307381598 0.758966711154 -2.10951526703 TCL: Center of mass = 24.3339236332 0.758812804627 -2.1094409099 TCL: Center of mass = 24.3371342523 0.758651795623 -2.1093688261 TCL: Center of mass = 24.3403518481 0.758491702814 -2.10928674591 TCL: Center of mass = 24.3435790055 0.758326390104 -2.10920143777 TCL: Center of mass = 24.3468039471 0.758154975068 -2.10912214584 TCL: Center of mass = 24.3500191288 0.757989975408 -2.10904538982 TCL: Center of mass = 24.3532428611 0.757837103316 -2.10896779683 TCL: Center of mass = 24.3564681309 0.757678624171 -2.10889880026 TCL: Center of mass = 24.3597032705 0.757525253083 -2.10883933749 TCL: Center of mass = 24.3629510863 0.757365493923 -2.10876947661 TCL: Center of mass = 24.3661797682 0.757210920349 -2.10869215271 TCL: Center of mass = 24.3694068393 0.757058134789 -2.10861282338 TCL: Center of mass = 24.3726308675 0.756909951352 -2.10854002691 TCL: Center of mass = 24.375843834 0.756748221261 -2.10847286748 TCL: Center of mass = 24.3790428083 0.756586844805 -2.1084074367 TCL: Center of mass = 24.3822497953 0.756417822798 -2.10833257477 TCL: Center of mass = 24.3854501585 0.756244917897 -2.10824774398 TCL: Center of mass = 24.3886447849 0.756076352479 -2.10814982121 TCL: Center of mass = 24.3918340969 0.755911692743 -2.10804537946 TCL: Center of mass = 24.3950233332 0.755746821442 -2.1079432741 TCL: Center of mass = 24.3982229171 0.755586140989 -2.10784353009 TCL: Center of mass = 24.4014292968 0.755424756549 -2.10774873719 TCL: Center of mass = 24.4046406075 0.755258034818 -2.10765126622 TCL: Center of mass = 24.4078575391 0.755092069158 -2.10756632833 TCL: Center of mass = 24.4110781169 0.754920166954 -2.10748027701 TCL: Center of mass = 24.4143114657 0.754740585514 -2.10738754882 TCL: Center of mass = 24.4175407357 0.754561460152 -2.10730108546 TCL: Center of mass = 24.4207748452 0.754386204632 -2.10721677994 TCL: Center of mass = 24.4240079689 0.754216310669 -2.1071306654 TCL: Center of mass = 24.4272387457 0.754049830776 -2.10703513195 TCL: Center of mass = 24.4304751793 0.753891219042 -2.10693789705 TCL: Center of mass = 24.4337254618 0.753741276015 -2.10683617146 TCL: Center of mass = 24.4369736974 0.753577810068 -2.10673854721 TCL: Center of mass = 24.4402171975 0.753407388029 -2.10664359915 TCL: Center of mass = 24.44345021 0.753244135613 -2.10654508835 TCL: Center of mass = 24.4466805253 0.753088080477 -2.10643957529 TCL: Center of mass = 24.4499090291 0.752928433333 -2.10633950283 TCL: Center of mass = 24.4531276002 0.752762116234 -2.10624717613 TCL: Center of mass = 24.4563590505 0.752587239874 -2.10614631599 TCL: Center of mass = 24.4595929275 0.752416244585 -2.10603406839 TCL: Center of mass = 24.4628238658 0.75225338991 -2.10592156172 TCL: Center of mass = 24.4660617666 0.752077551339 -2.10581976699 TIMING: 8800 CPU: 742.326, 0.0866268/step Wall: 908.57, 0.106379/step, 0.330957 hours remaining, 22022 kB of memory in use. ENERGY: 8800 432.4695 723.2074 390.4984 41.8481 -2764.3211 -239.4560 0.0000 0.0000 1120.8590 -294.8948 305.4654 -285.2589 -287.7764 316.5338 18.3909 377.2420 64000.0000 622.0395 619.3835 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 = 24.4692921829 0.751902559771 -2.10571714232 TCL: Center of mass = 24.4725235226 0.751737698822 -2.10562121244 TCL: Center of mass = 24.4757543045 0.751584992446 -2.10551666947 TCL: Center of mass = 24.4789806256 0.751430837284 -2.10540803621 TCL: Center of mass = 24.4821955981 0.751285859569 -2.1052934315 TCL: Center of mass = 24.4854114456 0.751123260159 -2.10517579869 TCL: Center of mass = 24.4886257519 0.750971026776 -2.10505041982 TCL: Center of mass = 24.4918298617 0.750827560342 -2.10491945073 TCL: Center of mass = 24.4950341673 0.75068002507 -2.10478642236 TCL: Center of mass = 24.4982382554 0.750540605653 -2.10465509179 TCL: Center of mass = 24.5014467831 0.750402728895 -2.10451961046 TCL: Center of mass = 24.5046534394 0.750265859049 -2.10437914978 TCL: Center of mass = 24.5078642329 0.75012967901 -2.10424377736 TCL: Center of mass = 24.5110895338 0.749988740913 -2.10410360383 TCL: Center of mass = 24.5143200081 0.749853378204 -2.10396466091 TCL: Center of mass = 24.5175508798 0.749736674844 -2.10382898941 TCL: Center of mass = 24.5207738906 0.749618976817 -2.10368623936 TCL: Center of mass = 24.5239916611 0.749500849049 -2.10354040802 TCL: Center of mass = 24.5272102278 0.749388347235 -2.10340120891 TCL: Center of mass = 24.5304296521 0.74927539555 -2.10325538248 TCL: Center of mass = 24.5336503379 0.749159800238 -2.10310591278 TCL: Center of mass = 24.5368794414 0.749054236938 -2.10295240975 TCL: Center of mass = 24.540111807 0.748954293294 -2.10279698088 TCL: Center of mass = 24.5433440285 0.74885013663 -2.10264160539 TCL: Center of mass = 24.5465820035 0.748741833564 -2.10247367968 TCL: Center of mass = 24.5498212532 0.748630750176 -2.10230505109 TCL: Center of mass = 24.5530785282 0.748525634039 -2.10212960372 TCL: Center of mass = 24.5563451603 0.748426967406 -2.10192921991 TCL: Center of mass = 24.5596219042 0.748329854238 -2.10172425092 TCL: Center of mass = 24.5629021161 0.748233342941 -2.1015112905 TCL: Center of mass = 24.5661832004 0.748122318361 -2.10130104252 TCL: Center of mass = 24.5694680383 0.74800354348 -2.10109534575 TCL: Center of mass = 24.5727488718 0.74788610752 -2.10089473603 TCL: Center of mass = 24.576037188 0.747772078916 -2.10068119401 TCL: Center of mass = 24.5793128509 0.747647825903 -2.10046612972 TCL: Center of mass = 24.5825949451 0.74751877585 -2.10026739242 TCL: Center of mass = 24.5858825802 0.747393160273 -2.10007332132 TCL: Center of mass = 24.5891756588 0.747268497848 -2.09988508226 TCL: Center of mass = 24.5924665358 0.74715068307 -2.0997095229 TCL: Center of mass = 24.5957679752 0.747023213825 -2.09953123551 TCL: Center of mass = 24.5990702095 0.746891874862 -2.09935605672 TCL: Center of mass = 24.6023726414 0.746756070993 -2.09917345708 TCL: Center of mass = 24.6056772524 0.746630235903 -2.09898383299 TCL: Center of mass = 24.6089807476 0.746508297372 -2.09878433211 TCL: Center of mass = 24.6122932118 0.746388858356 -2.09858818831 TCL: Center of mass = 24.6156045227 0.746270680149 -2.09840013409 TCL: Center of mass = 24.6189123586 0.746155678017 -2.09821166394 TCL: Center of mass = 24.6222078905 0.746044409873 -2.09803683926 TCL: Center of mass = 24.6254909446 0.745928385751 -2.09787028076 TCL: Center of mass = 24.6287764412 0.745802756518 -2.09770952112 TCL: Center of mass = 24.6320546477 0.745667943286 -2.09754194118 TCL: Center of mass = 24.6353336857 0.745548767243 -2.09738315681 TCL: Center of mass = 24.6386151295 0.745427802683 -2.0972213594 TCL: Center of mass = 24.6419028888 0.745303208328 -2.09707092459 TCL: Center of mass = 24.6451877068 0.745168648164 -2.09691482608 TCL: Center of mass = 24.6484762581 0.745044904668 -2.09676607565 TCL: Center of mass = 24.6517684077 0.744930061153 -2.09662605246 TCL: Center of mass = 24.6550571959 0.744810732382 -2.09649844651 TCL: Center of mass = 24.6583609626 0.744688340447 -2.09636324048 TCL: Center of mass = 24.6616627659 0.744558701881 -2.09622514488 TCL: Center of mass = 24.6649645742 0.744427388276 -2.09608631901 TCL: Center of mass = 24.6682718493 0.74430421944 -2.09594807284 TCL: Center of mass = 24.6715677382 0.744188388392 -2.095818929 TCL: Center of mass = 24.6748652113 0.744068671976 -2.09568965101 TCL: Center of mass = 24.6781487501 0.743951697064 -2.09555530941 TCL: Center of mass = 24.6814250234 0.743823698013 -2.09541339469 TCL: Center of mass = 24.6847030657 0.743690381704 -2.0952542028 TCL: Center of mass = 24.6879865299 0.743548554773 -2.09510306593 TCL: Center of mass = 24.6912715689 0.743401572027 -2.09495017055 TCL: Center of mass = 24.6945647074 0.743252014317 -2.09478898725 TCL: Center of mass = 24.6978523796 0.743104233827 -2.09462364932 TCL: Center of mass = 24.7011369637 0.742953029419 -2.09444631348 TCL: Center of mass = 24.7044208029 0.742795412721 -2.09427480245 TCL: Center of mass = 24.7077114309 0.7426343368 -2.0941078548 TCL: Center of mass = 24.7110099505 0.742475660862 -2.09392973824 TCL: Center of mass = 24.7142924095 0.742319998733 -2.09375691496 TCL: Center of mass = 24.7175804125 0.7421612263 -2.09357621628 TCL: Center of mass = 24.7208760357 0.742009245882 -2.09339748389 TCL: Center of mass = 24.7241769301 0.741863710508 -2.09321878507 TCL: Center of mass = 24.7274801813 0.741710003689 -2.09303919336 TCL: Center of mass = 24.7307677009 0.741547262516 -2.09286166749 TCL: Center of mass = 24.7340607998 0.741382414486 -2.09267725238 TCL: Center of mass = 24.7373593185 0.741215596253 -2.09248397371 TCL: Center of mass = 24.740650764 0.741050485734 -2.09229913554 TCL: Center of mass = 24.7439342242 0.740890406139 -2.09211462811 TCL: Center of mass = 24.7472203229 0.740740040986 -2.09194336041 TCL: Center of mass = 24.7505099285 0.740588514114 -2.09178137279 TCL: Center of mass = 24.7537995108 0.740432615826 -2.09161555222 TCL: Center of mass = 24.7570925875 0.740281693975 -2.09144685437 TCL: Center of mass = 24.760369895 0.740133282555 -2.09127541861 TCL: Center of mass = 24.7636384222 0.739986895363 -2.09110479804 TCL: Center of mass = 24.7669052347 0.739845668416 -2.09093272146 TCL: Center of mass = 24.770169242 0.739698122061 -2.09074391129 TCL: Center of mass = 24.7734320844 0.739552225521 -2.0905536512 TCL: Center of mass = 24.7767021223 0.739402845381 -2.09036839896 TCL: Center of mass = 24.7799830494 0.739256645136 -2.09018995948 TCL: Center of mass = 24.7832558127 0.739109274714 -2.09002910715 TCL: Center of mass = 24.7865288597 0.738951902861 -2.08987152476 TCL: Center of mass = 24.7898089832 0.738791077502 -2.08970893966 TCL: Center of mass = 24.7930840029 0.738640515238 -2.08954917304 TIMING: 8900 CPU: 751.132, 0.0880566/step Wall: 954.491, 0.459207/step, 1.41589 hours remaining, 22022 kB of memory in use. ENERGY: 8900 395.4364 713.3280 399.3155 47.8940 -2780.4817 -235.0556 0.0000 0.0000 1171.4997 -288.0637 319.2664 -279.1410 -278.8150 315.4336 1296.2664 1493.0062 64000.0000 649.7035 651.4885 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 = 24.7963620627 0.738505827565 -2.08939626358 TCL: Center of mass = 24.7996310561 0.738363196093 -2.08924642743 TCL: Center of mass = 24.8029023606 0.738222455339 -2.08908961758 TCL: Center of mass = 24.8061725397 0.73808680767 -2.08894089757 TCL: Center of mass = 24.8094317171 0.737938202434 -2.08880250117 TCL: Center of mass = 24.8126941942 0.737788144508 -2.08865795368 TCL: Center of mass = 24.8159534533 0.737632440779 -2.08852170912 TCL: Center of mass = 24.8192176668 0.737469581465 -2.08836982751 TCL: Center of mass = 24.8224673037 0.73730102119 -2.08820921775 TCL: Center of mass = 24.8257158011 0.737122362404 -2.08804066473 TCL: Center of mass = 24.8289633621 0.736939082808 -2.08786445984 TCL: Center of mass = 24.8322131118 0.736749342721 -2.08770146586 TCL: Center of mass = 24.835447616 0.736554916779 -2.08753619464 TCL: Center of mass = 24.8386846138 0.736363281585 -2.0873676635 TCL: Center of mass = 24.8419226326 0.736177233696 -2.08720988004 TCL: Center of mass = 24.8451608135 0.735994975191 -2.08706318646 TCL: Center of mass = 24.8484101696 0.735810027081 -2.08691648145 TCL: Center of mass = 24.8516562983 0.735644982056 -2.08675739823 TCL: Center of mass = 24.8549090562 0.735472270255 -2.08660155835 TCL: Center of mass = 24.8581572431 0.735298229723 -2.08644757217 TCL: Center of mass = 24.8613972749 0.73511934058 -2.08630280251 TCL: Center of mass = 24.8646360727 0.734939658744 -2.08615248632 TCL: Center of mass = 24.8678798741 0.734767768039 -2.08601236325 TCL: Center of mass = 24.8711277324 0.734598074239 -2.08587395443 TCL: Center of mass = 24.874361667 0.734433160338 -2.08573936026 TCL: Center of mass = 24.8775829469 0.734275317422 -2.0856125427 TCL: Center of mass = 24.8808165539 0.734110714586 -2.0854784292 TCL: Center of mass = 24.8840530311 0.733940764367 -2.08535461688 TCL: Center of mass = 24.8872892215 0.733773856815 -2.08522213968 TCL: Center of mass = 24.8905093047 0.733607242237 -2.08509768344 TCL: Center of mass = 24.8937323297 0.733432471334 -2.0849770678 TCL: Center of mass = 24.8969494507 0.733263884614 -2.08485550618 TCL: Center of mass = 24.9001756508 0.733100080907 -2.08473961673 TCL: Center of mass = 24.9034122235 0.732927606774 -2.08461966008 TCL: Center of mass = 24.906668111 0.732747516389 -2.08449299097 TCL: Center of mass = 24.9099238872 0.732560819841 -2.08435990672 TCL: Center of mass = 24.9131883041 0.732380879286 -2.08422899789 TCL: Center of mass = 24.9164490946 0.732181191065 -2.08410189963 TCL: Center of mass = 24.9197191762 0.731995993854 -2.08396569391 TCL: Center of mass = 24.9229878423 0.731816078313 -2.08381889297 TCL: Center of mass = 24.9262626182 0.731627336887 -2.08366449852 TCL: Center of mass = 24.9295370419 0.731440971831 -2.08349983662 TCL: Center of mass = 24.9328178545 0.731259055619 -2.08333845846 TCL: Center of mass = 24.9360872483 0.731085762246 -2.08317852031 TCL: Center of mass = 24.93935207 0.730917560293 -2.0830136639 TCL: Center of mass = 24.942623402 0.730743292046 -2.08284897831 TCL: Center of mass = 24.9458952936 0.730570750833 -2.08268883448 TCL: Center of mass = 24.9491710221 0.73040521502 -2.08253002717 TCL: Center of mass = 24.9524555649 0.730245198702 -2.08236375964 TCL: Center of mass = 24.9557433262 0.730090462639 -2.08221083538 TCL: Center of mass = 24.9590379195 0.729944973299 -2.08205922357 TCL: Center of mass = 24.9623338807 0.729800460234 -2.08190987249 TCL: Center of mass = 24.9656362923 0.729664100243 -2.08176694787 TCL: Center of mass = 24.9689406796 0.729521868347 -2.08163048061 TCL: Center of mass = 24.9722479686 0.729383387442 -2.08150396813 TCL: Center of mass = 24.9755490329 0.729251073354 -2.08137835939 TCL: Center of mass = 24.9788444658 0.729111371944 -2.08125697242 TCL: Center of mass = 24.9821384476 0.728965741704 -2.08112363503 TCL: Center of mass = 24.9854373139 0.728817819437 -2.08100028834 TCL: Center of mass = 24.9887393659 0.728665888958 -2.08088177684 TCL: Center of mass = 24.9920410831 0.728505026425 -2.08077766943 TCL: Center of mass = 24.995337641 0.728351858215 -2.08067469441 TCL: Center of mass = 24.9986479728 0.728192226036 -2.08056447235 TCL: Center of mass = 25.0019623876 0.728029968202 -2.08044977323 TCL: Center of mass = 25.0052836371 0.727873059152 -2.08033071582 TCL: Center of mass = 25.0086042143 0.727720148022 -2.08020948279 TCL: Center of mass = 25.0119188881 0.72756231286 -2.08007398979 TCL: Center of mass = 25.0152348618 0.727414220049 -2.07993090455 TCL: Center of mass = 25.0185494286 0.727266411079 -2.07978706263 TCL: Center of mass = 25.0218640745 0.727113675515 -2.07965149945 TCL: Center of mass = 25.0251753743 0.726967260487 -2.07950576537 TCL: Center of mass = 25.0284905335 0.726820372931 -2.07934630349 TCL: Center of mass = 25.0318077533 0.726689405559 -2.07919956145 TCL: Center of mass = 25.0351245928 0.726559241847 -2.07904030787 TCL: Center of mass = 25.0384286033 0.726438606279 -2.07888169894 TCL: Center of mass = 25.0417253326 0.726313500429 -2.07872081224 TCL: Center of mass = 25.0450227329 0.72619242904 -2.0785650561 TCL: Center of mass = 25.0483174963 0.726068830608 -2.07841127125 TCL: Center of mass = 25.0516194019 0.725934530601 -2.07826293727 TCL: Center of mass = 25.0549181174 0.725794563419 -2.07811780332 TCL: Center of mass = 25.0582106402 0.725655267762 -2.07797182947 TCL: Center of mass = 25.0615074596 0.725526189135 -2.07783845519 TCL: Center of mass = 25.064819966 0.725402081676 -2.07770419811 TCL: Center of mass = 25.0681356293 0.725283394931 -2.07756791058 TCL: Center of mass = 25.0714589631 0.725166119753 -2.07742658063 TCL: Center of mass = 25.0747760303 0.725046131366 -2.07728133223 TCL: Center of mass = 25.0781138707 0.724928137743 -2.07714285327 TCL: Center of mass = 25.0814496297 0.724807191267 -2.07700315832 TCL: Center of mass = 25.0847993776 0.724703680933 -2.07686179427 TCL: Center of mass = 25.0881363559 0.724609454484 -2.07671674756 TCL: Center of mass = 25.0914834754 0.724514236064 -2.07657426644 TCL: Center of mass = 25.094843055 0.724427287599 -2.07642481075 TCL: Center of mass = 25.0982026435 0.724328345788 -2.07628882832 TCL: Center of mass = 25.1015511921 0.724224316172 -2.07614623309 TCL: Center of mass = 25.1048973627 0.724113252146 -2.07601276566 TCL: Center of mass = 25.1082452518 0.724003492137 -2.07587043339 TCL: Center of mass = 25.1115976988 0.723893385568 -2.07572306047 TCL: Center of mass = 25.1149486052 0.723776725385 -2.07557006255 TCL: Center of mass = 25.1182888947 0.72366958136 -2.07541563249 TCL: Center of mass = 25.1216226735 0.723560281593 -2.07525382834 TIMING: 9000 CPU: 760.076, 0.0894464/step Wall: 929.825, -0.246652/step, -0.753658 hours remaining, 22024 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 407.9823 708.1474 408.1444 41.3140 -2782.7993 -227.5322 0.0000 0.0000 1175.5151 -269.2284 320.3607 -260.6330 -258.8720 316.4617 466.0546 602.5187 64000.0000 763.2538 759.8353 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 = 25.1249592226 0.723443517423 -2.07509464591 TCL: Center of mass = 25.1282815844 0.723318917981 -2.07492593363 TCL: Center of mass = 25.1315942011 0.723208119277 -2.07476399143 TCL: Center of mass = 25.1349047271 0.723102237327 -2.07459524465 TCL: Center of mass = 25.1381951317 0.723001609046 -2.07442009416 TCL: Center of mass = 25.1414946768 0.722906438898 -2.07423743541 TCL: Center of mass = 25.1447982079 0.722809392983 -2.07405558434 TCL: Center of mass = 25.1481095533 0.722709972564 -2.07387499629 TCL: Center of mass = 25.1514241087 0.722603619952 -2.07368421757 TCL: Center of mass = 25.1547458719 0.722494485002 -2.07350507404 TCL: Center of mass = 25.1580562994 0.722385402726 -2.07332298228 TCL: Center of mass = 25.1613668603 0.722279065123 -2.07313777754 TCL: Center of mass = 25.1646739173 0.722154728438 -2.07295691089 TCL: Center of mass = 25.1679843095 0.722029405897 -2.07277410839 TCL: Center of mass = 25.1713007614 0.721901356402 -2.07258360804 TCL: Center of mass = 25.1746192149 0.721775020785 -2.07239145367 TCL: Center of mass = 25.1779403607 0.721647655391 -2.07219571282 TCL: Center of mass = 25.1812725376 0.721520501739 -2.07199896662 TCL: Center of mass = 25.1846098884 0.721387400763 -2.07180723306 TCL: Center of mass = 25.1879602239 0.721261171142 -2.07161732549 TCL: Center of mass = 25.1912954748 0.72112899172 -2.07144077067 TCL: Center of mass = 25.1946419895 0.720979624727 -2.07126656703 TCL: Center of mass = 25.1979923941 0.720838535799 -2.07108816346 TCL: Center of mass = 25.2013415509 0.720695973077 -2.07090878999 TCL: Center of mass = 25.2046940698 0.720553742059 -2.07073380066 TCL: Center of mass = 25.2080558793 0.720400670995 -2.07057664098 TCL: Center of mass = 25.2114195683 0.720243863099 -2.07042015787 TCL: Center of mass = 25.2147769081 0.720094168287 -2.07026716027 TCL: Center of mass = 25.2181229873 0.719940357758 -2.07011036184 TCL: Center of mass = 25.2214613858 0.719783460854 -2.06995245656 TCL: Center of mass = 25.2247940453 0.719638498583 -2.0697887424 TCL: Center of mass = 25.2281199676 0.719482267842 -2.06962202006 TCL: Center of mass = 25.2314358 0.719327463619 -2.0694415272 TCL: Center of mass = 25.2347403666 0.719178991743 -2.06925387331 TCL: Center of mass = 25.2380542158 0.719040996981 -2.06907241896 TCL: Center of mass = 25.2413817181 0.718907243239 -2.06889674502 TCL: Center of mass = 25.244711993 0.718771462417 -2.06872154768 TCL: Center of mass = 25.2480290131 0.718634320528 -2.06854161896 TCL: Center of mass = 25.251348934 0.718491866584 -2.06837145273 TCL: Center of mass = 25.2546904066 0.718345800402 -2.06820017238 TCL: Center of mass = 25.2580510768 0.718196225213 -2.06803459306 TCL: Center of mass = 25.2614083947 0.718042765359 -2.06787079974 TCL: Center of mass = 25.2647607424 0.717887494479 -2.06770249103 TCL: Center of mass = 25.2681130943 0.717733026818 -2.06754496024 TCL: Center of mass = 25.2714706794 0.717581074952 -2.06738970348 TCL: Center of mass = 25.2748320083 0.717429580875 -2.06724185025 TCL: Center of mass = 25.2781850056 0.717285343833 -2.06710866801 TCL: Center of mass = 25.2815356845 0.717132866716 -2.06698410337 TCL: Center of mass = 25.2848817462 0.716993640765 -2.06685739481 TCL: Center of mass = 25.2882220692 0.71685388007 -2.06673626148 TCL: Center of mass = 25.2915690091 0.716712029603 -2.06661765619 TCL: Center of mass = 25.2949051014 0.716575381983 -2.06650454313 TCL: Center of mass = 25.2982507847 0.716442103676 -2.06639583758 TCL: Center of mass = 25.3015900337 0.716316535704 -2.06629463279 TCL: Center of mass = 25.3049341994 0.71618761936 -2.06618760209 TCL: Center of mass = 25.3082723135 0.716049972144 -2.06607459059 TCL: Center of mass = 25.3115959208 0.71590831991 -2.0659572423 TCL: Center of mass = 25.3149255834 0.715767446794 -2.06584400135 TCL: Center of mass = 25.3182488316 0.715639046118 -2.06573144199 TCL: Center of mass = 25.3215738634 0.715498374679 -2.06562534309 TCL: Center of mass = 25.3248837852 0.715352875212 -2.06552550273 TCL: Center of mass = 25.328194947 0.715210379982 -2.06541692893 TCL: Center of mass = 25.331516452 0.715066577028 -2.06530943637 TCL: Center of mass = 25.3348479845 0.714920100561 -2.06519793296 TCL: Center of mass = 25.3381784323 0.714764247449 -2.06509141126 TCL: Center of mass = 25.3415079797 0.714605562489 -2.06498337276 TCL: Center of mass = 25.3448316848 0.714454046376 -2.06488286359 TCL: Center of mass = 25.3481523903 0.714313381533 -2.06478435625 TCL: Center of mass = 25.3514779777 0.714172168474 -2.06467893195 TCL: Center of mass = 25.3548051181 0.714028178248 -2.06457382357 TCL: Center of mass = 25.3581335427 0.713889562885 -2.0644732054 TCL: Center of mass = 25.3614612311 0.713753744144 -2.06436376651 TCL: Center of mass = 25.3647788787 0.713622724823 -2.06424912197 TCL: Center of mass = 25.3680834858 0.713497555074 -2.06414244646 TCL: Center of mass = 25.3713909166 0.713372953958 -2.0640378618 TCL: Center of mass = 25.3747023638 0.713249348447 -2.06393863617 TCL: Center of mass = 25.3780187008 0.713120192356 -2.06384514394 TCL: Center of mass = 25.3813371364 0.712984550303 -2.06374499634 TCL: Center of mass = 25.3846644937 0.712858415572 -2.06364145421 TCL: Center of mass = 25.3879949452 0.712739332631 -2.06352426172 TCL: Center of mass = 25.3913341767 0.712616992827 -2.0634112092 TCL: Center of mass = 25.394677736 0.712507209735 -2.0633081914 TCL: Center of mass = 25.3980249232 0.712403868258 -2.06320194201 TCL: Center of mass = 25.4013685264 0.712295524483 -2.06309084814 TCL: Center of mass = 25.4047142111 0.71217802774 -2.06298163238 TCL: Center of mass = 25.4080495482 0.712056786885 -2.06287481789 TCL: Center of mass = 25.4113894292 0.711924029227 -2.0627610006 TCL: Center of mass = 25.4147355939 0.71180155355 -2.06264601526 TCL: Center of mass = 25.4180707014 0.71166257368 -2.06252409632 TCL: Center of mass = 25.421404826 0.711524919033 -2.06241586153 TCL: Center of mass = 25.4247385991 0.711396109781 -2.06230747509 TCL: Center of mass = 25.4280733986 0.711277308194 -2.06219008136 TCL: Center of mass = 25.4314054206 0.711168796302 -2.06207088885 TCL: Center of mass = 25.4347425456 0.7110553234 -2.06194243839 TCL: Center of mass = 25.4380813768 0.71093141517 -2.06180773075 TCL: Center of mass = 25.441420585 0.710811668297 -2.06167405016 TCL: Center of mass = 25.4447497738 0.710694248448 -2.06154038825 TCL: Center of mass = 25.4480773426 0.710577595804 -2.06140341878 TCL: Center of mass = 25.451399544 0.710458104017 -2.06126612273 TCL: Center of mass = 25.4547153524 0.710336245115 -2.06113814372 TIMING: 9100 CPU: 768.668, 0.0859169/step Wall: 940.371, 0.10546/step, 0.319309 hours remaining, 22033 kB of memory in use. ENERGY: 9100 439.7620 672.5217 413.3018 35.3915 -2783.0687 -200.7676 0.0000 0.0000 1146.9317 -275.9275 312.5710 -266.6970 -267.2431 317.1924 -25.0463 35.5630 64000.0000 550.4489 546.5600 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 = 25.4580450287 0.710214547148 -2.06100747639 TCL: Center of mass = 25.4613840146 0.710090743348 -2.06088568915 TCL: Center of mass = 25.4647381665 0.709966096131 -2.06076644228 TCL: Center of mass = 25.4680905649 0.709837564472 -2.060658558 TCL: Center of mass = 25.4714404945 0.709710373133 -2.06054461332 TCL: Center of mass = 25.4747913688 0.709575957254 -2.06042178047 TCL: Center of mass = 25.4781407525 0.709444083194 -2.06030327215 TCL: Center of mass = 25.4814854933 0.709305842259 -2.06018739434 TCL: Center of mass = 25.4848229938 0.709171821292 -2.06006669468 TCL: Center of mass = 25.4881668465 0.709036819213 -2.05994298518 TCL: Center of mass = 25.4915114308 0.708895042359 -2.05982040624 TCL: Center of mass = 25.4948507612 0.708742538215 -2.05970035383 TCL: Center of mass = 25.4981855697 0.708581541451 -2.05958867515 TCL: Center of mass = 25.5015096203 0.708430243158 -2.05947812267 TCL: Center of mass = 25.5048404317 0.708278140987 -2.05938965404 TCL: Center of mass = 25.5081805817 0.708140215488 -2.05930459611 TCL: Center of mass = 25.5115183455 0.708002863834 -2.0592134061 TCL: Center of mass = 25.514858826 0.707855558852 -2.05911009912 TCL: Center of mass = 25.5181949295 0.707703589514 -2.05900647459 TCL: Center of mass = 25.5215308571 0.707553947699 -2.05889657202 TCL: Center of mass = 25.5248714332 0.707393939496 -2.05878788019 TCL: Center of mass = 25.5282093988 0.707239522348 -2.0586857818 TCL: Center of mass = 25.531554837 0.70707705817 -2.05858186939 TCL: Center of mass = 25.5348915965 0.706909059071 -2.05848010172 TCL: Center of mass = 25.5382194708 0.706733524042 -2.05836995011 TCL: Center of mass = 25.5415438648 0.706552905715 -2.05825389203 TCL: Center of mass = 25.5448665661 0.706369401703 -2.05813439171 TCL: Center of mass = 25.5481907702 0.706183711217 -2.05800693332 TCL: Center of mass = 25.5515218014 0.706005157756 -2.05788350036 TCL: Center of mass = 25.5548420514 0.705828656241 -2.05776190685 TCL: Center of mass = 25.5581746446 0.705653464682 -2.0576379243 TCL: Center of mass = 25.5615123062 0.705474314708 -2.05751844486 TCL: Center of mass = 25.5648520565 0.705314058584 -2.05738922738 TCL: Center of mass = 25.568203782 0.705158197493 -2.05726597918 TCL: Center of mass = 25.5715614433 0.704997447561 -2.0571172676 TCL: Center of mass = 25.5749226035 0.704831962811 -2.05696974808 TCL: Center of mass = 25.5782890845 0.704669292502 -2.05680906898 TCL: Center of mass = 25.5816512653 0.704510864749 -2.05665083787 TCL: Center of mass = 25.5850151347 0.704354425229 -2.05648883488 TCL: Center of mass = 25.5883780453 0.704194574333 -2.05632395725 TCL: Center of mass = 25.5917417412 0.704027291298 -2.05616249752 TCL: Center of mass = 25.5951180389 0.703860223228 -2.0559860747 TCL: Center of mass = 25.5984877364 0.703707436368 -2.05580274166 TCL: Center of mass = 25.6018556439 0.703560716752 -2.05562562063 TCL: Center of mass = 25.6052205672 0.703416026135 -2.05545301887 TCL: Center of mass = 25.6085887976 0.703258067655 -2.05528209548 TCL: Center of mass = 25.6119477817 0.703101351083 -2.05511595457 TCL: Center of mass = 25.6153156016 0.702935422813 -2.05495147441 TCL: Center of mass = 25.6186825046 0.702761548223 -2.05479222435 TCL: Center of mass = 25.6220418877 0.702588433736 -2.0546294209 TCL: Center of mass = 25.6254076996 0.702410577763 -2.05446624013 TCL: Center of mass = 25.6287719965 0.70223433477 -2.05429246874 TCL: Center of mass = 25.6321352138 0.702067220495 -2.05412750062 TCL: Center of mass = 25.6355044564 0.701902129785 -2.05396290336 TCL: Center of mass = 25.6388710055 0.701735005389 -2.05380017497 TCL: Center of mass = 25.6422372911 0.701577808412 -2.05363206183 TCL: Center of mass = 25.6456109382 0.701418687473 -2.05347438411 TCL: Center of mass = 25.6489837497 0.701261202798 -2.05332403142 TCL: Center of mass = 25.6523636823 0.701108121417 -2.05317825774 TCL: Center of mass = 25.6557506528 0.70094137638 -2.05303188406 TCL: Center of mass = 25.6591425285 0.700769243696 -2.05288651178 TCL: Center of mass = 25.6625274682 0.700601702819 -2.05274938223 TCL: Center of mass = 25.6659028341 0.70044075688 -2.05261681055 TCL: Center of mass = 25.669278959 0.700285860792 -2.05248172781 TCL: Center of mass = 25.6726555036 0.700127897633 -2.05233947351 TCL: Center of mass = 25.6760352998 0.699957248136 -2.05220834312 TCL: Center of mass = 25.679409564 0.699790297983 -2.05207217121 TCL: Center of mass = 25.6827901169 0.699620088579 -2.05193873575 TCL: Center of mass = 25.6861734127 0.699441110185 -2.05180629073 TCL: Center of mass = 25.6895519285 0.699267775019 -2.05167843307 TCL: Center of mass = 25.6929308067 0.699096133811 -2.0515458246 TCL: Center of mass = 25.6963058452 0.698920501002 -2.05140422512 TCL: Center of mass = 25.6996865958 0.698747398144 -2.05124994683 TCL: Center of mass = 25.7030760572 0.698582491868 -2.05109599988 TCL: Center of mass = 25.706461476 0.698411258993 -2.05094382113 TCL: Center of mass = 25.7098295145 0.698247806761 -2.05077626722 TCL: Center of mass = 25.7131986868 0.698077787455 -2.05060864756 TCL: Center of mass = 25.7165672387 0.697918030762 -2.05042330925 TCL: Center of mass = 25.7199461004 0.697756919763 -2.0502442083 TCL: Center of mass = 25.7233137871 0.697583477904 -2.05006785134 TCL: Center of mass = 25.72668308 0.697428106443 -2.04988472667 TCL: Center of mass = 25.7300484564 0.697276525072 -2.04971097952 TCL: Center of mass = 25.7333964708 0.697114046797 -2.04953893557 TCL: Center of mass = 25.7367518078 0.696955829915 -2.04937089998 TCL: Center of mass = 25.7401031405 0.696804982515 -2.0492060825 TCL: Center of mass = 25.7434470976 0.696647654298 -2.04904085102 TCL: Center of mass = 25.7467954937 0.696484311362 -2.04887440556 TCL: Center of mass = 25.7501525504 0.696316262478 -2.04871809337 TCL: Center of mass = 25.7534986173 0.696151066566 -2.04855518516 TCL: Center of mass = 25.7568467936 0.695992051408 -2.0483996644 TCL: Center of mass = 25.7601897824 0.69583707998 -2.04824020439 TCL: Center of mass = 25.763529786 0.695679657897 -2.04807901469 TCL: Center of mass = 25.7668751215 0.695509488724 -2.04792137236 TCL: Center of mass = 25.7702302554 0.695345774899 -2.04775616166 TCL: Center of mass = 25.7735794074 0.695187676791 -2.0475941584 TCL: Center of mass = 25.7769230233 0.695031080016 -2.04742517937 TCL: Center of mass = 25.780275409 0.694872089695 -2.04725031717 TCL: Center of mass = 25.7836374261 0.694707356177 -2.04707835678 TCL: Center of mass = 25.7869890183 0.69454342239 -2.04689797526 TCL: Center of mass = 25.7903479694 0.694377153009 -2.04673204242 TIMING: 9200 CPU: 777.323, 0.0865468/step Wall: 950.993, 0.106218/step, 0.318654 hours remaining, 22034 kB of memory in use. ENERGY: 9200 399.9008 678.4244 401.6066 43.6081 -2756.9138 -225.2442 0.0000 0.0000 1175.0776 -283.5406 320.2415 -274.3849 -274.9880 316.6510 494.8148 546.4031 64000.0000 661.4576 663.4753 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 = 25.7937048235 0.694211384822 -2.046561774 TCL: Center of mass = 25.7970661079 0.694053445327 -2.04638908931 TCL: Center of mass = 25.8004245351 0.693905235443 -2.04621392038 TCL: Center of mass = 25.8037828993 0.693749217991 -2.04603550748 TCL: Center of mass = 25.8071556588 0.693593675378 -2.04584848896 TCL: Center of mass = 25.8105302553 0.693432650721 -2.04566339837 TCL: Center of mass = 25.813907756 0.693270332149 -2.0454879051 TCL: Center of mass = 25.8172975309 0.693100609981 -2.04532603879 TCL: Center of mass = 25.8206880237 0.692940691232 -2.0451608134 TCL: Center of mass = 25.8240641965 0.692787119322 -2.04498719668 TCL: Center of mass = 25.8274439122 0.692641322621 -2.04481603406 TCL: Center of mass = 25.8308178095 0.692491533753 -2.04463357606 TCL: Center of mass = 25.8341867861 0.692347125207 -2.04444781308 TCL: Center of mass = 25.8375652552 0.692201731173 -2.04426700485 TCL: Center of mass = 25.8409488772 0.692068662536 -2.04407532148 TCL: Center of mass = 25.8443271876 0.691936611924 -2.04388568878 TCL: Center of mass = 25.8477106129 0.691800007222 -2.04369733746 TCL: Center of mass = 25.8510947716 0.691669887626 -2.04350568713 TCL: Center of mass = 25.8544757542 0.691539875347 -2.04332711687 TCL: Center of mass = 25.8578498593 0.691405259613 -2.04314729716 TCL: Center of mass = 25.8612232433 0.691262897807 -2.04297248179 TCL: Center of mass = 25.864601812 0.691114487555 -2.04279930086 TCL: Center of mass = 25.8679961794 0.69096440865 -2.04263575181 TCL: Center of mass = 25.8713907715 0.690827069197 -2.04246658604 TCL: Center of mass = 25.8747827983 0.690710974885 -2.04230279538 TCL: Center of mass = 25.8781763595 0.690596826774 -2.0421499507 TCL: Center of mass = 25.8815703652 0.690483895209 -2.04200368012 TCL: Center of mass = 25.8849532369 0.690379301755 -2.04186838863 TCL: Center of mass = 25.8883271775 0.690268534997 -2.04173063099 TCL: Center of mass = 25.8916958517 0.690148396334 -2.04158376758 TCL: Center of mass = 25.8950680935 0.69001670453 -2.04143905635 TCL: Center of mass = 25.8984400486 0.689877550779 -2.0412866598 TCL: Center of mass = 25.9018051356 0.689740131797 -2.04113937854 TCL: Center of mass = 25.9051642623 0.689603700662 -2.04099338914 TCL: Center of mass = 25.9085415034 0.689457481081 -2.0408372635 TCL: Center of mass = 25.9119169474 0.68932183267 -2.04068242367 TCL: Center of mass = 25.9152783796 0.689189512562 -2.04052290153 TCL: Center of mass = 25.9186321629 0.689067856284 -2.04036496082 TCL: Center of mass = 25.921968434 0.688940841539 -2.04020304626 TCL: Center of mass = 25.9253085958 0.688820171564 -2.04003970278 TCL: Center of mass = 25.9286441699 0.688690249365 -2.03987553213 TCL: Center of mass = 25.9319908813 0.688567933735 -2.03971096492 TCL: Center of mass = 25.9353421371 0.688442155693 -2.03954025553 TCL: Center of mass = 25.9386893894 0.68832303022 -2.03936647849 TCL: Center of mass = 25.94204901 0.688214203146 -2.03918624835 TCL: Center of mass = 25.9454076708 0.688108512841 -2.03899994505 TCL: Center of mass = 25.9487819475 0.688007903725 -2.03881725936 TCL: Center of mass = 25.9521594502 0.687912075131 -2.03863959539 TCL: Center of mass = 25.9555288554 0.687826346646 -2.03845184785 TCL: Center of mass = 25.9588922087 0.68773778517 -2.03827171733 TCL: Center of mass = 25.9622578263 0.68765668425 -2.03810452616 TCL: Center of mass = 25.9656247276 0.687588842415 -2.03793843194 TCL: Center of mass = 25.9689897588 0.687521312837 -2.03777730652 TCL: Center of mass = 25.972364094 0.687459496489 -2.03761272287 TCL: Center of mass = 25.9757574162 0.687384887564 -2.03743706572 TCL: Center of mass = 25.9791531289 0.687312905754 -2.0372758514 TCL: Center of mass = 25.9825451306 0.687237622592 -2.03711151907 TCL: Center of mass = 25.9859448106 0.687150506955 -2.03694944542 TCL: Center of mass = 25.989350174 0.687062636864 -2.0367761357 TCL: Center of mass = 25.9927638965 0.686993306202 -2.03660429559 TCL: Center of mass = 25.9961762101 0.686931598979 -2.03642500995 TCL: Center of mass = 25.9995802258 0.686859483797 -2.03624276118 TCL: Center of mass = 26.0029869881 0.686777317936 -2.03605579266 TCL: Center of mass = 26.0063892101 0.686696012839 -2.03587640425 TCL: Center of mass = 26.0097834085 0.686619812217 -2.03568956948 TCL: Center of mass = 26.0131796333 0.686542208489 -2.03550783324 TCL: Center of mass = 26.0165804614 0.686463166847 -2.03534358367 TCL: Center of mass = 26.0199992648 0.686382687047 -2.0351679769 TCL: Center of mass = 26.0234154374 0.686307176702 -2.03499366316 TCL: Center of mass = 26.0268298432 0.686233473306 -2.0348055812 TCL: Center of mass = 26.0302432208 0.686165435829 -2.0346225457 TCL: Center of mass = 26.0336527274 0.686096228564 -2.03444508725 TCL: Center of mass = 26.0370636548 0.68603967726 -2.03425145485 TCL: Center of mass = 26.0404863907 0.685981676171 -2.03405626441 TCL: Center of mass = 26.0439110246 0.685906631367 -2.03385401254 TCL: Center of mass = 26.0473390311 0.685829101454 -2.03364404591 TCL: Center of mass = 26.0507604772 0.685743897955 -2.03343156392 TCL: Center of mass = 26.054181652 0.68566400267 -2.03323068055 TCL: Center of mass = 26.0576015441 0.685571449664 -2.03303330052 TCL: Center of mass = 26.0610197916 0.685473812118 -2.03283924895 TCL: Center of mass = 26.0644277531 0.685384749805 -2.03265705726 TCL: Center of mass = 26.0678273564 0.685296832693 -2.03247802908 TCL: Center of mass = 26.0712244312 0.685206790099 -2.03229256352 TCL: Center of mass = 26.0746145648 0.68513366643 -2.03209792168 TCL: Center of mass = 26.0780054641 0.685062602888 -2.03190849102 TCL: Center of mass = 26.0813969333 0.684994100261 -2.03172442082 TCL: Center of mass = 26.0847859367 0.684921720904 -2.0315364643 TCL: Center of mass = 26.0881719546 0.684850830118 -2.03135656845 TCL: Center of mass = 26.0915617475 0.684781091127 -2.03118111989 TCL: Center of mass = 26.0949449641 0.684703020784 -2.0310162062 TCL: Center of mass = 26.0983354711 0.684625864701 -2.03086323584 TCL: Center of mass = 26.1017176574 0.684548212462 -2.03071637583 TCL: Center of mass = 26.1050977775 0.684467466036 -2.03057292632 TCL: Center of mass = 26.108477678 0.684392096766 -2.03042776798 TCL: Center of mass = 26.1118677052 0.684328365105 -2.03028519225 TCL: Center of mass = 26.1152609061 0.684267331205 -2.03014866579 TCL: Center of mass = 26.1186479702 0.684210774523 -2.02999274164 TCL: Center of mass = 26.1220298394 0.684148827794 -2.02983965747 TCL: Center of mass = 26.125411823 0.684081764626 -2.02968941778 TCL: Center of mass = 26.1287989014 0.684024662733 -2.02954271627 TIMING: 9300 CPU: 785.932, 0.0860869/step Wall: 961.563, 0.105695/step, 0.31415 hours remaining, 22034 kB of memory in use. ENERGY: 9300 410.6933 675.7340 424.4201 46.6089 -2770.3162 -235.8405 0.0000 0.0000 1174.4145 -274.2858 320.0608 -265.5049 -264.7244 316.9043 768.0941 809.0623 64000.0000 437.7743 434.4185 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 = 26.1321845921 0.683958630167 -2.02940827629 TCL: Center of mass = 26.1355756466 0.683882453156 -2.02928243467 TCL: Center of mass = 26.1389714603 0.683814941248 -2.02915971275 TCL: Center of mass = 26.1423627411 0.683750203429 -2.02902704793 TCL: Center of mass = 26.1457661294 0.683689644805 -2.02888941907 TCL: Center of mass = 26.1491773316 0.683637983283 -2.02875116347 TCL: Center of mass = 26.152599605 0.68358441406 -2.02861788951 TCL: Center of mass = 26.156033626 0.683535451742 -2.02848006916 TCL: Center of mass = 26.1594646962 0.683486885667 -2.02835166144 TCL: Center of mass = 26.1628968053 0.683438818663 -2.02821110125 TCL: Center of mass = 26.1663217172 0.683384807936 -2.0280714715 TCL: Center of mass = 26.1697272526 0.683335104548 -2.02792824604 TCL: Center of mass = 26.1731309111 0.683287381381 -2.02778271673 TCL: Center of mass = 26.1765387166 0.683238491123 -2.02762659555 TCL: Center of mass = 26.1799492767 0.683200215431 -2.02747694287 TCL: Center of mass = 26.1833643621 0.683171566893 -2.02732381836 TCL: Center of mass = 26.1867774152 0.683151564274 -2.02717077661 TCL: Center of mass = 26.1901923941 0.683128959617 -2.02702772399 TCL: Center of mass = 26.193621976 0.683104675187 -2.02688644222 TCL: Center of mass = 26.1970511417 0.683072060751 -2.02675076594 TCL: Center of mass = 26.2004768975 0.683055356685 -2.02662470197 TCL: Center of mass = 26.2039061595 0.683045500353 -2.02649599382 TCL: Center of mass = 26.2073347769 0.683041319698 -2.02636359845 TCL: Center of mass = 26.2107610271 0.68304710329 -2.02623426385 TCL: Center of mass = 26.214191165 0.683059273961 -2.02610197628 TCL: Center of mass = 26.2176193293 0.683076873031 -2.02597089847 TCL: Center of mass = 26.2210464935 0.683100259961 -2.02583717098 TCL: Center of mass = 26.2244815395 0.68312410731 -2.02569763344 TCL: Center of mass = 26.2279181861 0.683142498544 -2.02555291223 TCL: Center of mass = 26.2313510332 0.683159921464 -2.02541927305 TCL: Center of mass = 26.2347870838 0.683175570453 -2.0252730726 TCL: Center of mass = 26.2382036527 0.68319023095 -2.02512358445 TCL: Center of mass = 26.2416177095 0.683204780626 -2.02496885125 TCL: Center of mass = 26.2450247587 0.683233639148 -2.02481797896 TCL: Center of mass = 26.2484417415 0.683257028996 -2.0246625889 TCL: Center of mass = 26.2518622087 0.683275910374 -2.02450910957 TCL: Center of mass = 26.25528078 0.683289329602 -2.02435199574 TCL: Center of mass = 26.2587000524 0.68329457116 -2.02418932829 TCL: Center of mass = 26.2621374865 0.683302235764 -2.02402692575 TCL: Center of mass = 26.2655690322 0.683301701792 -2.02388056843 TCL: Center of mass = 26.2689982296 0.683309601228 -2.02372838971 TCL: Center of mass = 26.2724357786 0.683322649672 -2.023583063 TCL: Center of mass = 26.2758866145 0.683333948029 -2.02343927753 TCL: Center of mass = 26.2793357452 0.683341375177 -2.02330130606 TCL: Center of mass = 26.2827867774 0.68335037889 -2.02316594187 TCL: Center of mass = 26.2862501093 0.683356217207 -2.02303344003 TCL: Center of mass = 26.2897106373 0.683370574856 -2.02290448623 TCL: Center of mass = 26.293152735 0.683374699137 -2.02277509141 TCL: Center of mass = 26.2965986588 0.683376053198 -2.02264658332 TCL: Center of mass = 26.3000412613 0.683372517723 -2.02251716787 TCL: Center of mass = 26.3034875703 0.683363385134 -2.02239172782 TCL: Center of mass = 26.306926378 0.68336828897 -2.02227027238 TCL: Center of mass = 26.3103706299 0.68337308606 -2.02215276894 TCL: Center of mass = 26.313823246 0.683388291059 -2.0220442009 TCL: Center of mass = 26.3172853943 0.683402797999 -2.02194642599 TCL: Center of mass = 26.3207458533 0.683406853274 -2.02185163351 TCL: Center of mass = 26.3241944465 0.683416013271 -2.02175613306 TCL: Center of mass = 26.3276463749 0.683431358197 -2.02166276205 TCL: Center of mass = 26.3310996559 0.683452546405 -2.02157105145 TCL: Center of mass = 26.3345418047 0.683481545005 -2.0214756505 TCL: Center of mass = 26.3379939718 0.683509553183 -2.02138773863 TCL: Center of mass = 26.3414410896 0.683548077466 -2.02130071348 TCL: Center of mass = 26.344887262 0.683590762595 -2.02120313487 TCL: Center of mass = 26.3483329318 0.683632818835 -2.02110445267 TCL: Center of mass = 26.3517806424 0.683682681856 -2.02100866126 TCL: Center of mass = 26.3552255335 0.683735648634 -2.02091829294 TCL: Center of mass = 26.3586959803 0.683780881156 -2.02082750298 TCL: Center of mass = 26.3621630136 0.683814484059 -2.02072483578 TCL: Center of mass = 26.3656298086 0.683844651896 -2.02062692662 TCL: Center of mass = 26.3690936301 0.683885137703 -2.02052439244 TCL: Center of mass = 26.3725585265 0.683923226614 -2.02042131665 TCL: Center of mass = 26.376016792 0.683958544352 -2.02030821192 TCL: Center of mass = 26.3794755697 0.68398825445 -2.02019288396 TCL: Center of mass = 26.3829239852 0.684022916697 -2.02007784932 TCL: Center of mass = 26.3863621911 0.684047152889 -2.0199677883 TCL: Center of mass = 26.3898157267 0.684070166061 -2.01986758747 TCL: Center of mass = 26.3932585378 0.684085518765 -2.01976915057 TCL: Center of mass = 26.3967006617 0.684098588985 -2.01967482518 TCL: Center of mass = 26.4001474676 0.684107310953 -2.01957383408 TCL: Center of mass = 26.4035949028 0.684116954518 -2.01948363804 TCL: Center of mass = 26.4070438781 0.684120857386 -2.01938581696 TCL: Center of mass = 26.4104920451 0.68412391923 -2.01928418597 TCL: Center of mass = 26.4139380906 0.684128093939 -2.01918236886 TCL: Center of mass = 26.4173754153 0.684132814257 -2.01907985001 TCL: Center of mass = 26.4208067962 0.6841321252 -2.01897438344 TCL: Center of mass = 26.42422158 0.684121943053 -2.01887443953 TCL: Center of mass = 26.4276322165 0.684113555752 -2.01877917456 TCL: Center of mass = 26.4310346182 0.68410229774 -2.01866374877 TCL: Center of mass = 26.4344293614 0.68408698811 -2.01855122395 TCL: Center of mass = 26.4378166597 0.684065413519 -2.018438404 TCL: Center of mass = 26.4412015721 0.684040945364 -2.01833173254 TCL: Center of mass = 26.4445847269 0.684025660462 -2.01822431552 TCL: Center of mass = 26.4479696465 0.684009151091 -2.01811180109 TCL: Center of mass = 26.4513569744 0.683992356019 -2.01800569167 TCL: Center of mass = 26.4547481973 0.683984768156 -2.01789571181 TCL: Center of mass = 26.458147585 0.683969148317 -2.01778060236 TCL: Center of mass = 26.4615506984 0.683949782262 -2.0176693944 TCL: Center of mass = 26.4649592539 0.683928839342 -2.01755979957 TCL: Center of mass = 26.4683702642 0.683917034702 -2.0174521975 TCL: Center of mass = 26.4717698593 0.683897681484 -2.01733743449 TIMING: 9400 CPU: 794.558, 0.0862669/step Wall: 972.134, 0.105708/step, 0.311251 hours remaining, 22035 kB of memory in use. ENERGY: 9400 422.3328 704.5215 403.2920 42.6334 -2775.6457 -223.9075 0.0000 0.0000 1157.5011 -269.2725 315.4514 -260.2147 -260.5726 317.4405 743.3507 608.7348 64000.0000 796.8252 804.6580 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 = 26.4751702463 0.683874932176 -2.01722699362 TCL: Center of mass = 26.4785450775 0.683857940944 -2.01712320952 TCL: Center of mass = 26.4819244947 0.683835849717 -2.01701109865 TCL: Center of mass = 26.4852959135 0.68379771888 -2.01689858572 TCL: Center of mass = 26.4886578835 0.683758923107 -2.016796571 TCL: Center of mass = 26.4920178745 0.683716585928 -2.01668731652 TCL: Center of mass = 26.4953745121 0.683678655442 -2.01656682568 TCL: Center of mass = 26.4987254822 0.683648462695 -2.01643217013 TCL: Center of mass = 26.5020741923 0.683615580528 -2.0162979317 TCL: Center of mass = 26.5054197869 0.68358325372 -2.0161698709 TCL: Center of mass = 26.5087622958 0.683554492808 -2.01603536939 TCL: Center of mass = 26.5121051398 0.683525543407 -2.01589684756 TCL: Center of mass = 26.5154409206 0.683499515624 -2.0157472086 TCL: Center of mass = 26.5187751655 0.683468881561 -2.015602659 TCL: Center of mass = 26.5221151382 0.68342589637 -2.01545265985 TCL: Center of mass = 26.5254633182 0.683387587628 -2.01530532369 TCL: Center of mass = 26.5288013643 0.68334053816 -2.01515353999 TCL: Center of mass = 26.5321309574 0.68329730586 -2.01499925669 TCL: Center of mass = 26.535461507 0.683250605559 -2.01483827094 TCL: Center of mass = 26.5387920457 0.683203900269 -2.01468117299 TCL: Center of mass = 26.5421125926 0.683161375046 -2.0145248075 TCL: Center of mass = 26.545431518 0.68312674866 -2.01437035365 TCL: Center of mass = 26.5487537631 0.683096108987 -2.01420890882 TCL: Center of mass = 26.5520779605 0.68307816623 -2.01404498033 TCL: Center of mass = 26.555405743 0.683063196264 -2.01387745605 TCL: Center of mass = 26.5587273191 0.683048041925 -2.01372474766 TCL: Center of mass = 26.5620442143 0.683031286639 -2.0135691753 TCL: Center of mass = 26.5653620004 0.683017703923 -2.01342183022 TCL: Center of mass = 26.5686888639 0.68301262858 -2.01327517321 TCL: Center of mass = 26.5720155619 0.683009462862 -2.01312409625 TCL: Center of mass = 26.575361923 0.683014816116 -2.01297142584 TCL: Center of mass = 26.5787015482 0.683020788046 -2.0128100963 TCL: Center of mass = 26.5820389916 0.683025709892 -2.01266026752 TCL: Center of mass = 26.5853752426 0.683041261075 -2.01251027349 TCL: Center of mass = 26.5887132125 0.683058099615 -2.01234931867 TCL: Center of mass = 26.5920585917 0.683063536666 -2.01219651531 TCL: Center of mass = 26.5954079224 0.68306620136 -2.01203559163 TCL: Center of mass = 26.598757061 0.68306869436 -2.01188305142 TCL: Center of mass = 26.6020987506 0.683062679853 -2.01172639918 TCL: Center of mass = 26.6054401263 0.683064425941 -2.01156767737 TCL: Center of mass = 26.6087723935 0.683062230132 -2.01139910267 TCL: Center of mass = 26.6121010277 0.683050806738 -2.01123634026 TCL: Center of mass = 26.6154329424 0.683050825644 -2.01107149099 TCL: Center of mass = 26.6187538685 0.6830592559 -2.01089585424 TCL: Center of mass = 26.6220791983 0.683073669606 -2.01073269449 TCL: Center of mass = 26.6254103299 0.683090661127 -2.01056461878 TCL: Center of mass = 26.6287339703 0.683106323755 -2.01038539913 TCL: Center of mass = 26.6320495269 0.683122045697 -2.01019478428 TCL: Center of mass = 26.6353647611 0.683133523286 -2.01001429655 TCL: Center of mass = 26.6386833919 0.683142142182 -2.00983674119 TCL: Center of mass = 26.641988369 0.683138083302 -2.00965098846 TCL: Center of mass = 26.6452854874 0.683119744964 -2.00946690441 TCL: Center of mass = 26.6485846341 0.683112603499 -2.00928654711 TCL: Center of mass = 26.6518800118 0.683105626361 -2.00910757108 TCL: Center of mass = 26.6551664368 0.683095162174 -2.00892753946 TCL: Center of mass = 26.6584388249 0.683081327118 -2.00874955283 TCL: Center of mass = 26.6617199296 0.683056270132 -2.00857967058 TCL: Center of mass = 26.6649935981 0.683042229577 -2.00840470539 TCL: Center of mass = 26.6682684988 0.683022004179 -2.00821617439 TCL: Center of mass = 26.6715345932 0.683004497225 -2.00801748198 TCL: Center of mass = 26.6747906248 0.682982073376 -2.00780986434 TCL: Center of mass = 26.6780483927 0.682964888113 -2.00760193334 TCL: Center of mass = 26.6813035931 0.682947383138 -2.00740380844 TCL: Center of mass = 26.6845434585 0.68292346921 -2.00720472542 TCL: Center of mass = 26.6877907126 0.682909346397 -2.00700507815 TCL: Center of mass = 26.6910335204 0.682884939846 -2.00680263127 TCL: Center of mass = 26.6942635316 0.682864388993 -2.00660601944 TCL: Center of mass = 26.6974885357 0.682842675687 -2.00640947298 TCL: Center of mass = 26.7007159952 0.682820636016 -2.00622055013 TCL: Center of mass = 26.7039399196 0.682779199209 -2.0060297505 TCL: Center of mass = 26.707168069 0.682736422839 -2.00584728134 TCL: Center of mass = 26.7104037903 0.682702151939 -2.00566104883 TCL: Center of mass = 26.7136468025 0.682667564237 -2.00548286707 TCL: Center of mass = 26.7168836574 0.68263894523 -2.00530077425 TCL: Center of mass = 26.7201203806 0.682609965386 -2.00511359427 TCL: Center of mass = 26.7233579175 0.682561464781 -2.00492719193 TCL: Center of mass = 26.7265921337 0.682497468502 -2.00473305113 TCL: Center of mass = 26.7298299034 0.682441389562 -2.00454035729 TCL: Center of mass = 26.7330679601 0.682382576022 -2.00434632727 TCL: Center of mass = 26.7363076423 0.68231295396 -2.0041649708 TCL: Center of mass = 26.7395498006 0.682254808503 -2.00397419484 TCL: Center of mass = 26.7427892977 0.682204368396 -2.00379195895 TCL: Center of mass = 26.7460307173 0.682146349289 -2.00360278914 TCL: Center of mass = 26.7492704269 0.682077634631 -2.00341119446 TCL: Center of mass = 26.7525057089 0.682010426082 -2.00321606514 TCL: Center of mass = 26.7557447006 0.681945693871 -2.00303147984 TCL: Center of mass = 26.7589791928 0.681878069838 -2.00285369395 TCL: Center of mass = 26.7622066063 0.681808096236 -2.00266148755 TCL: Center of mass = 26.7654213185 0.681739798114 -2.00247288416 TCL: Center of mass = 26.7686287616 0.681666278619 -2.00228938123 TCL: Center of mass = 26.7718608122 0.681603744743 -2.00210750655 TCL: Center of mass = 26.7750957959 0.681536574222 -2.00193088578 TCL: Center of mass = 26.7783382969 0.681473472633 -2.00176295528 TCL: Center of mass = 26.781575957 0.681417439286 -2.00159038315 TCL: Center of mass = 26.7848107596 0.681364661296 -2.00142608341 TCL: Center of mass = 26.7880572654 0.681300037199 -2.00126394218 TCL: Center of mass = 26.7913018862 0.681225242215 -2.0010956341 TCL: Center of mass = 26.7945558256 0.681151725934 -2.00093589114 TCL: Center of mass = 26.7978120266 0.681075023313 -2.0007771511 TCL: Center of mass = 26.8010758775 0.680999695901 -2.00062255718 TIMING: 9500 CPU: 803.189, 0.0863069/step Wall: 982.722, 0.105888/step, 0.30884 hours remaining, 22045 kB of memory in use. ENERGY: 9500 405.6404 687.0700 401.0802 43.3174 -2772.2478 -229.1935 0.0000 0.0000 1161.5984 -302.7348 316.5680 -294.0610 -293.0726 315.6745 1309.2915 933.1687 64000.0000 497.4106 497.2556 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 = 26.8043527944 0.680928206132 -2.00047087514 TCL: Center of mass = 26.8076254546 0.680842803315 -2.00031768186 TCL: Center of mass = 26.8108951288 0.680764752524 -2.00016536926 TCL: Center of mass = 26.8141611327 0.680681286963 -2.00000793402 TCL: Center of mass = 26.817442101 0.680588379819 -1.99984818167 TCL: Center of mass = 26.82072779 0.680492656027 -1.99969091894 TCL: Center of mass = 26.8240037778 0.680389457351 -1.99953262057 TCL: Center of mass = 26.8272747868 0.680295273834 -1.99937677125 TCL: Center of mass = 26.8305433357 0.680193434514 -1.99922425491 TCL: Center of mass = 26.833815879 0.680087662686 -1.99908109366 TCL: Center of mass = 26.83708329 0.67999140675 -1.99894053419 TCL: Center of mass = 26.8403515891 0.67988127705 -1.99880546961 TCL: Center of mass = 26.8436140822 0.679767572377 -1.99866540571 TCL: Center of mass = 26.8468850491 0.679658687517 -1.99852802563 TCL: Center of mass = 26.850152117 0.679545206465 -1.99838027373 TCL: Center of mass = 26.8534056873 0.679420128406 -1.99822840584 TCL: Center of mass = 26.8566490315 0.679303415824 -1.99807514105 TCL: Center of mass = 26.8598978166 0.679193197215 -1.99791252985 TCL: Center of mass = 26.8631472937 0.679079329933 -1.99775410135 TCL: Center of mass = 26.8663926777 0.678959834904 -1.99760419076 TCL: Center of mass = 26.8696397071 0.678847117133 -1.99745100317 TCL: Center of mass = 26.8728825232 0.678732277957 -1.9972863386 TCL: Center of mass = 26.8761200078 0.678626854673 -1.99711906338 TCL: Center of mass = 26.8793494099 0.678523520121 -1.99696736409 TCL: Center of mass = 26.8825815013 0.678419326889 -1.99683397747 TCL: Center of mass = 26.8858088562 0.678323246911 -1.99670544105 TCL: Center of mass = 26.8890379202 0.678226395831 -1.99658307491 TCL: Center of mass = 26.8922665218 0.678125306362 -1.99645194961 TCL: Center of mass = 26.8954976326 0.678013775316 -1.99633474978 TCL: Center of mass = 26.8987363078 0.677905129073 -1.99622055022 TCL: Center of mass = 26.9019704899 0.677789623293 -1.99609857351 TCL: Center of mass = 26.9052104626 0.677676151359 -1.99597658581 TCL: Center of mass = 26.9084540428 0.677559932905 -1.99584666687 TCL: Center of mass = 26.9116828691 0.677441020619 -1.99571619404 TCL: Center of mass = 26.9149080234 0.677321574224 -1.99558931545 TCL: Center of mass = 26.9181268416 0.677213056068 -1.99546337228 TCL: Center of mass = 26.9213535731 0.677113641998 -1.99535202975 TCL: Center of mass = 26.9245865556 0.67701596282 -1.99523696321 TCL: Center of mass = 26.9278158728 0.676911440956 -1.99511424472 TCL: Center of mass = 26.9310467805 0.676807279938 -1.99499178933 TCL: Center of mass = 26.9342630098 0.676697779466 -1.9948865555 TCL: Center of mass = 26.9374887525 0.676595671212 -1.99478022537 TCL: Center of mass = 26.9407185068 0.676497728088 -1.99468112718 TCL: Center of mass = 26.9439501917 0.676396432387 -1.99458011812 TCL: Center of mass = 26.9471747566 0.676301227608 -1.99447513893 TCL: Center of mass = 26.9504011861 0.676204560054 -1.99439132616 TCL: Center of mass = 26.9536262073 0.676101559383 -1.99430690701 TCL: Center of mass = 26.9568475923 0.676004305092 -1.99422816492 TCL: Center of mass = 26.9600731512 0.675912709107 -1.99415284407 TCL: Center of mass = 26.9633040255 0.675813007485 -1.99406971863 TCL: Center of mass = 26.9665366073 0.675709204714 -1.99397073585 TCL: Center of mass = 26.9697670106 0.675603668342 -1.99387057215 TCL: Center of mass = 26.9730060936 0.675490584387 -1.99378546302 TCL: Center of mass = 26.9762523907 0.675397454118 -1.99369737702 TCL: Center of mass = 26.9795019366 0.675297643573 -1.99360134214 TCL: Center of mass = 26.9827539864 0.675193900119 -1.99350098725 TCL: Center of mass = 26.9860053428 0.675082860859 -1.99339864691 TCL: Center of mass = 26.9892558928 0.674972144871 -1.99328684345 TCL: Center of mass = 26.9925088201 0.674858792006 -1.9931828734 TCL: Center of mass = 26.9957707952 0.674733288324 -1.99306757966 TCL: Center of mass = 26.9990363327 0.674615206009 -1.99295607252 TCL: Center of mass = 27.0023107648 0.67449624953 -1.99286068905 TCL: Center of mass = 27.0055899783 0.67438625872 -1.99276245635 TCL: Center of mass = 27.0088671707 0.674276765762 -1.9926731642 TCL: Center of mass = 27.0121471812 0.674162751861 -1.99259114382 TCL: Center of mass = 27.0154280216 0.674049341591 -1.9925186129 TCL: Center of mass = 27.018710878 0.673930424072 -1.99245547447 TCL: Center of mass = 27.0219927286 0.673804818866 -1.99240306487 TCL: Center of mass = 27.0252708826 0.673683940952 -1.99234918628 TCL: Center of mass = 27.028542773 0.673567750889 -1.99228558788 TCL: Center of mass = 27.0318175591 0.673452999746 -1.99223190506 TCL: Center of mass = 27.0351027143 0.673352206274 -1.99218920996 TCL: Center of mass = 27.0383899444 0.673244013593 -1.9921320793 TCL: Center of mass = 27.0416838482 0.673134588156 -1.9920790796 TCL: Center of mass = 27.044964363 0.673017804143 -1.992026819 TCL: Center of mass = 27.0482423011 0.672887714237 -1.99196806839 TCL: Center of mass = 27.0515336143 0.672755768204 -1.99190000915 TCL: Center of mass = 27.0548270415 0.672632440754 -1.99184038777 TCL: Center of mass = 27.0581299623 0.672511865634 -1.99178344509 TCL: Center of mass = 27.061448573 0.672395224937 -1.99173027679 TCL: Center of mass = 27.0647675461 0.672283910528 -1.9916784813 TCL: Center of mass = 27.0680912425 0.672180268637 -1.99163484381 TCL: Center of mass = 27.07139997 0.672085752517 -1.99159415986 TCL: Center of mass = 27.074700492 0.671998363748 -1.99156188366 TCL: Center of mass = 27.0779958933 0.671912236428 -1.99153673825 TCL: Center of mass = 27.0812931202 0.671830947805 -1.99151459597 TCL: Center of mass = 27.0846017978 0.671757793711 -1.99149167368 TCL: Center of mass = 27.0879063913 0.671678018231 -1.99147169744 TCL: Center of mass = 27.0912020667 0.671588476446 -1.99145346387 TCL: Center of mass = 27.0945147804 0.671499492839 -1.99143352226 TCL: Center of mass = 27.0978360156 0.671409214658 -1.99140176207 TCL: Center of mass = 27.1011569848 0.671313716772 -1.99137063154 TCL: Center of mass = 27.1044782197 0.671217438789 -1.99132461397 TCL: Center of mass = 27.1078008637 0.671125579044 -1.99128290055 TCL: Center of mass = 27.1111084311 0.671027355133 -1.99124002645 TCL: Center of mass = 27.1144247677 0.670929957779 -1.99119717443 TCL: Center of mass = 27.1177369851 0.670839147788 -1.99114815142 TCL: Center of mass = 27.121045722 0.670744376905 -1.99109916732 TCL: Center of mass = 27.1243246361 0.670648592029 -1.99104668807 TCL: Center of mass = 27.127601519 0.670545327256 -1.99099018435 TIMING: 9600 CPU: 811.789, 0.0859969/step Wall: 993.267, 0.105451/step, 0.304637 hours remaining, 22045 kB of memory in use. ENERGY: 9600 379.3104 706.2799 401.7810 43.2089 -2770.7563 -219.1487 0.0000 0.0000 1156.2752 -303.0496 315.1173 -294.1845 -294.2198 312.8899 1082.2805 749.2615 64000.0000 844.8432 843.1223 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 = 27.1308770821 0.670438025539 -1.9909377055 TCL: Center of mass = 27.134167984 0.670334684114 -1.99088264164 TCL: Center of mass = 27.1374580492 0.670231178894 -1.99081753715 TCL: Center of mass = 27.1407510373 0.670127482769 -1.99075364846 TCL: Center of mass = 27.144045752 0.670015117844 -1.99068600809 TCL: Center of mass = 27.1473358784 0.669899730847 -1.9906191425 TCL: Center of mass = 27.1506367831 0.669786609054 -1.99054272475 TCL: Center of mass = 27.1539397145 0.669664120615 -1.9904582918 TCL: Center of mass = 27.1572552414 0.669535985808 -1.99037358732 TCL: Center of mass = 27.1605734866 0.669407408673 -1.99029178189 TCL: Center of mass = 27.1638986678 0.669278701465 -1.9902026078 TCL: Center of mass = 27.167226728 0.66915433793 -1.99010273508 TCL: Center of mass = 27.170549806 0.66902931888 -1.99001285858 TCL: Center of mass = 27.1738681626 0.668889028669 -1.98993367349 TCL: Center of mass = 27.1771865402 0.668751376062 -1.98986349196 TCL: Center of mass = 27.180504916 0.668608337385 -1.98979401297 TCL: Center of mass = 27.1838279639 0.668458081667 -1.98971677884 TCL: Center of mass = 27.1871521831 0.668311878028 -1.98963074385 TCL: Center of mass = 27.1904966212 0.668170162446 -1.98956139675 TCL: Center of mass = 27.1938557144 0.668023722542 -1.98948422325 TCL: Center of mass = 27.1972115883 0.667875192444 -1.98941381257 TCL: Center of mass = 27.2005662525 0.667714639761 -1.98935389589 TCL: Center of mass = 27.2039232468 0.667545338888 -1.98929870759 TCL: Center of mass = 27.2072867633 0.667386890809 -1.98924688936 TCL: Center of mass = 27.2106505939 0.667235192414 -1.98919828925 TCL: Center of mass = 27.2139987261 0.667095772248 -1.98914711934 TCL: Center of mass = 27.2173487995 0.666974521268 -1.98910334628 TCL: Center of mass = 27.2206977882 0.666852148003 -1.9890721875 TCL: Center of mass = 27.2240497862 0.666734825033 -1.98903414915 TCL: Center of mass = 27.227395799 0.666617711895 -1.98898427186 TCL: Center of mass = 27.2307436893 0.666506448105 -1.98894333687 TCL: Center of mass = 27.2340949076 0.66640259863 -1.9889062001 TCL: Center of mass = 27.237441912 0.666290479594 -1.98888041885 TCL: Center of mass = 27.2407860684 0.666178782166 -1.98885059049 TCL: Center of mass = 27.2441200021 0.666064757662 -1.98882040977 TCL: Center of mass = 27.2474486889 0.66595648757 -1.98879893288 TCL: Center of mass = 27.2507983525 0.665840654332 -1.98877235059 TCL: Center of mass = 27.2541487436 0.665721446942 -1.98874385013 TCL: Center of mass = 27.2575045417 0.665607102153 -1.98872215125 TCL: Center of mass = 27.2608647543 0.665473526086 -1.98871334628 TCL: Center of mass = 27.26423034 0.665334290379 -1.98871308326 TCL: Center of mass = 27.2675969315 0.6651972348 -1.98870840102 TCL: Center of mass = 27.2709581747 0.665055173392 -1.98870997932 TCL: Center of mass = 27.2743211238 0.664902300989 -1.9887277023 TCL: Center of mass = 27.2776817833 0.664746837443 -1.98874364882 TCL: Center of mass = 27.2810554354 0.664578462844 -1.98874944815 TCL: Center of mass = 27.2844259385 0.664411720159 -1.98876434811 TCL: Center of mass = 27.2877988829 0.664251732087 -1.98878091377 TCL: Center of mass = 27.2911844498 0.664088857308 -1.98880333228 TCL: Center of mass = 27.2945730275 0.663933144245 -1.98882574549 TCL: Center of mass = 27.2979680032 0.66377487177 -1.98884154168 TCL: Center of mass = 27.3013611581 0.663616053276 -1.98886078792 TCL: Center of mass = 27.3047597874 0.663466318378 -1.98888229198 TCL: Center of mass = 27.3081550496 0.663319118948 -1.98890881744 TCL: Center of mass = 27.3115391949 0.663174241349 -1.98893907259 TCL: Center of mass = 27.3149220404 0.663025880936 -1.98895933692 TCL: Center of mass = 27.3183093581 0.662875723729 -1.98897842985 TCL: Center of mass = 27.321697221 0.662714223349 -1.98900360795 TCL: Center of mass = 27.3250797827 0.662559592325 -1.98902731351 TCL: Center of mass = 27.3284760092 0.662411918591 -1.98905155353 TCL: Center of mass = 27.3318853362 0.662268734558 -1.98906092105 TCL: Center of mass = 27.3352917055 0.662112355473 -1.98907133314 TCL: Center of mass = 27.3386950279 0.661951079387 -1.98908730412 TCL: Center of mass = 27.3421111657 0.66179111205 -1.98910383101 TCL: Center of mass = 27.345533444 0.661630821926 -1.98911059577 TCL: Center of mass = 27.3489560993 0.661475628739 -1.98910772266 TCL: Center of mass = 27.3523733318 0.66132029035 -1.98910717839 TCL: Center of mass = 27.3558008484 0.661147430378 -1.98910837618 TCL: Center of mass = 27.3592371179 0.66097406239 -1.98910131224 TCL: Center of mass = 27.3626742021 0.660808558799 -1.98909499175 TCL: Center of mass = 27.366109596 0.660646771497 -1.98908935579 TCL: Center of mass = 27.369548398 0.660484099839 -1.98908239148 TCL: Center of mass = 27.3729912397 0.660325850714 -1.98908106152 TCL: Center of mass = 27.3764326793 0.660163998762 -1.989094783 TCL: Center of mass = 27.3798654539 0.660020576219 -1.98911691687 TCL: Center of mass = 27.3832948162 0.659878151072 -1.98913625309 TCL: Center of mass = 27.3867282267 0.659737133846 -1.9891551097 TCL: Center of mass = 27.3901568014 0.659593084948 -1.9891781259 TCL: Center of mass = 27.3935864495 0.659444425243 -1.98919910559 TCL: Center of mass = 27.3970261421 0.659295611963 -1.9892245351 TCL: Center of mass = 27.4004560537 0.659150570468 -1.98924919865 TCL: Center of mass = 27.4038897954 0.658997358711 -1.98927194565 TCL: Center of mass = 27.4073267183 0.658842325923 -1.98929580197 TCL: Center of mass = 27.410760557 0.658696523414 -1.98931435914 TCL: Center of mass = 27.4141909985 0.658553990079 -1.98933966976 TCL: Center of mass = 27.4176330658 0.658395503503 -1.98937410512 TCL: Center of mass = 27.4210791467 0.658232563758 -1.98939427638 TCL: Center of mass = 27.4245194359 0.658071524441 -1.98941996434 TCL: Center of mass = 27.4279678154 0.657908738081 -1.98943712446 TCL: Center of mass = 27.4314152298 0.657744499494 -1.98944752491 TCL: Center of mass = 27.4348736052 0.657584559828 -1.98945631465 TCL: Center of mass = 27.4383331242 0.657419448985 -1.98944164576 TCL: Center of mass = 27.4417893176 0.657256481482 -1.98941511999 TCL: Center of mass = 27.4452493789 0.657087416647 -1.98937154599 TCL: Center of mass = 27.4487033852 0.656919369781 -1.98932299542 TCL: Center of mass = 27.452168126 0.656751153435 -1.98927531458 TCL: Center of mass = 27.4556413226 0.656586394887 -1.98922798504 TCL: Center of mass = 27.4591157594 0.656422125493 -1.98917443863 TCL: Center of mass = 27.4625846832 0.656261730526 -1.98910691966 TCL: Center of mass = 27.4660580261 0.65611471686 -1.98904501695 TIMING: 9700 CPU: 820.47, 0.0868168/step Wall: 1003.91, 0.106448/step, 0.304559 hours remaining, 22045 kB of memory in use. ENERGY: 9700 417.7341 671.5767 431.5050 42.7924 -2796.5976 -220.2529 0.0000 0.0000 1154.7338 -298.5085 314.6973 -290.2281 -288.2630 314.7029 686.4955 544.0207 64000.0000 657.9492 658.7312 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 = 27.4695359479 0.65596362344 -1.9889843823 TCL: Center of mass = 27.4730143439 0.655822688469 -1.98891235042 TCL: Center of mass = 27.4764957804 0.655683250863 -1.9888344634 TCL: Center of mass = 27.4799630789 0.655550933869 -1.98875099794 TCL: Center of mass = 27.4834416662 0.655419501099 -1.98866218141 TCL: Center of mass = 27.4869193277 0.655287280854 -1.98856849409 TCL: Center of mass = 27.4903752989 0.655148778124 -1.98847563999 TCL: Center of mass = 27.493824218 0.65501608642 -1.98837984358 TCL: Center of mass = 27.4972744226 0.654886038146 -1.98830132893 TCL: Center of mass = 27.5007273382 0.654763675552 -1.98821769916 TCL: Center of mass = 27.5041825397 0.654635862369 -1.98812320295 TCL: Center of mass = 27.507633697 0.654504345177 -1.98803845837 TCL: Center of mass = 27.5110855363 0.654375091317 -1.98795408517 TCL: Center of mass = 27.514535812 0.654241236603 -1.98786880118 TCL: Center of mass = 27.5179886409 0.654105862121 -1.98778325977 TCL: Center of mass = 27.5214384613 0.653967467407 -1.98771158968 TCL: Center of mass = 27.5248922384 0.653834742331 -1.98764607756 TCL: Center of mass = 27.5283572677 0.653695293512 -1.98758890732 TCL: Center of mass = 27.5318172089 0.653550105627 -1.9875225227 TCL: Center of mass = 27.5352806938 0.65340936122 -1.98746150489 TCL: Center of mass = 27.5387514099 0.653261847145 -1.98739860689 TCL: Center of mass = 27.5422145379 0.653119443277 -1.98733891251 TCL: Center of mass = 27.5456901133 0.652970215539 -1.98728111696 TCL: Center of mass = 27.5491727796 0.652822418508 -1.98721496035 TCL: Center of mass = 27.5526642979 0.652666044214 -1.98715752704 TCL: Center of mass = 27.5561508036 0.652520734918 -1.9870942908 TCL: Center of mass = 27.5596345385 0.652367658158 -1.98704135793 TCL: Center of mass = 27.563124419 0.652213831235 -1.98699215441 TCL: Center of mass = 27.5666179399 0.652048158041 -1.98694206473 TCL: Center of mass = 27.5701116423 0.651876655936 -1.98689636529 TCL: Center of mass = 27.5735922658 0.651702681561 -1.98684103709 TCL: Center of mass = 27.5770910648 0.651525297868 -1.98678471202 TCL: Center of mass = 27.5806021641 0.651341708001 -1.98673509217 TCL: Center of mass = 27.5841060995 0.651170786649 -1.98669739793 TCL: Center of mass = 27.5876143012 0.651004564629 -1.98666609118 TCL: Center of mass = 27.5911316794 0.650842446662 -1.98662641561 TCL: Center of mass = 27.594660533 0.650674302135 -1.98658866007 TCL: Center of mass = 27.5981836243 0.650510743891 -1.98655493839 TCL: Center of mass = 27.601702336 0.650350544928 -1.98651214934 TCL: Center of mass = 27.6052145942 0.650191983155 -1.98646570921 TCL: Center of mass = 27.6087255909 0.650034205076 -1.98641258872 TCL: Center of mass = 27.6122321964 0.649875221603 -1.98635939004 TCL: Center of mass = 27.6157508012 0.649726794429 -1.98629438571 TCL: Center of mass = 27.6192685191 0.649575149703 -1.98622227165 TCL: Center of mass = 27.622784515 0.649415327883 -1.98614851974 TCL: Center of mass = 27.626297121 0.649248626451 -1.98607062329 TCL: Center of mass = 27.629801999 0.649088961743 -1.98599552665 TCL: Center of mass = 27.6333019257 0.648944119561 -1.98590950171 TCL: Center of mass = 27.6368001257 0.648786321761 -1.98582977673 TCL: Center of mass = 27.6403058406 0.6486404726 -1.98575148782 TCL: Center of mass = 27.6438132612 0.648503870066 -1.98568508542 TCL: Center of mass = 27.6473169069 0.64837315888 -1.98561086461 TCL: Center of mass = 27.6508248323 0.648236330207 -1.98553180796 TCL: Center of mass = 27.654330479 0.648104580216 -1.9854518943 TCL: Center of mass = 27.65784397 0.647975627214 -1.9853804383 TCL: Center of mass = 27.6613582611 0.647846230648 -1.985311106 TCL: Center of mass = 27.6648668465 0.647711094992 -1.98524193195 TCL: Center of mass = 27.6683799242 0.647589968526 -1.98516899559 TCL: Center of mass = 27.6718934496 0.647468027009 -1.98509791051 TCL: Center of mass = 27.675406358 0.647352756497 -1.98502520945 TCL: Center of mass = 27.6789284868 0.647244641933 -1.98495991741 TCL: Center of mass = 27.6824487828 0.647120373959 -1.98488561152 TCL: Center of mass = 27.6859606746 0.64700398514 -1.98480934803 TCL: Center of mass = 27.6894609164 0.646883776837 -1.98474036055 TCL: Center of mass = 27.6929659697 0.646763377612 -1.98466679231 TCL: Center of mass = 27.6964617004 0.646635646342 -1.98459541569 TCL: Center of mass = 27.6999518548 0.646507653083 -1.98451266498 TCL: Center of mass = 27.7034464655 0.646376596832 -1.98443722166 TCL: Center of mass = 27.7069314708 0.646241783242 -1.98436226288 TCL: Center of mass = 27.7104207285 0.646098404699 -1.98428464748 TCL: Center of mass = 27.7139139469 0.645935038257 -1.98419502725 TCL: Center of mass = 27.7173955307 0.645774399826 -1.98410248716 TCL: Center of mass = 27.7208923984 0.645604936892 -1.98401572842 TCL: Center of mass = 27.724396077 0.64544102481 -1.9839291404 TCL: Center of mass = 27.7279070864 0.645281579752 -1.98383786565 TCL: Center of mass = 27.7314180879 0.645129105884 -1.98373561913 TCL: Center of mass = 27.7349340688 0.644963750147 -1.98363183114 TCL: Center of mass = 27.7384582979 0.64480101027 -1.98351583779 TCL: Center of mass = 27.7419905848 0.644633265777 -1.98339659315 TCL: Center of mass = 27.7455153061 0.644465098553 -1.98328065547 TCL: Center of mass = 27.749014524 0.644300713818 -1.98316254853 TCL: Center of mass = 27.7525046865 0.644123364145 -1.98305135233 TCL: Center of mass = 27.7559897033 0.643943913742 -1.98294861248 TCL: Center of mass = 27.7594816976 0.643773267854 -1.98284519633 TCL: Center of mass = 27.7629613341 0.643605157755 -1.98275409278 TCL: Center of mass = 27.7664509091 0.643432970954 -1.98267086977 TCL: Center of mass = 27.7699431026 0.643256710822 -1.98259754383 TCL: Center of mass = 27.7734370058 0.643087282657 -1.98253383002 TCL: Center of mass = 27.7769418327 0.642930996467 -1.98246767418 TCL: Center of mass = 27.7804389679 0.642779535663 -1.98240963005 TCL: Center of mass = 27.7839444294 0.642629790382 -1.98235523523 TCL: Center of mass = 27.7874563348 0.642492560592 -1.98230299374 TCL: Center of mass = 27.790984502 0.642367328974 -1.98225981745 TCL: Center of mass = 27.7945063079 0.642242682262 -1.98221631646 TCL: Center of mass = 27.7980219509 0.642117594783 -1.98217580109 TCL: Center of mass = 27.8015352657 0.641999638318 -1.98213288777 TCL: Center of mass = 27.8050494689 0.641875421809 -1.98208044775 TCL: Center of mass = 27.8085700523 0.641744649131 -1.98201735673 TCL: Center of mass = 27.8120864609 0.641614500926 -1.9819596348 TCL: Center of mass = 27.8156179095 0.641483016667 -1.98190487577 TIMING: 9800 CPU: 829.257, 0.0878666/step Wall: 1049.83, 0.459154/step, 1.30094 hours remaining, 22046 kB of memory in use. ENERGY: 9800 428.2901 660.1022 426.7847 41.7541 -2762.2999 -214.7694 0.0000 0.0000 1147.3684 -272.7697 312.6900 -263.3453 -265.8262 317.3466 -8.5370 643.9156 64000.0000 741.5198 746.5022 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 = 27.8191475948 0.64135054941 -1.98183982362 TCL: Center of mass = 27.822673642 0.641218650795 -1.9817668458 TCL: Center of mass = 27.8261869574 0.641101045106 -1.98169681123 TCL: Center of mass = 27.829697399 0.640986933627 -1.9816320507 TCL: Center of mass = 27.8331980085 0.640876092049 -1.98158250908 TCL: Center of mass = 27.8366942323 0.640762865458 -1.98152888544 TCL: Center of mass = 27.8401792834 0.640652677881 -1.98147288779 TCL: Center of mass = 27.8436670952 0.640553617881 -1.98141992691 TCL: Center of mass = 27.847147688 0.640449977454 -1.98138060845 TCL: Center of mass = 27.8506226053 0.640341129288 -1.98132682394 TCL: Center of mass = 27.8540868771 0.640231265039 -1.98127940984 TCL: Center of mass = 27.8575435021 0.640118771733 -1.9812340821 TCL: Center of mass = 27.8609930929 0.640007572331 -1.98119339261 TCL: Center of mass = 27.8644381628 0.639908334462 -1.98115410363 TCL: Center of mass = 27.8678834833 0.639815071294 -1.98110129989 TCL: Center of mass = 27.8713239936 0.639727210104 -1.98106231968 TCL: Center of mass = 27.8747598022 0.639641866949 -1.98102226168 TCL: Center of mass = 27.8781934834 0.639554500928 -1.9809733212 TCL: Center of mass = 27.8816270151 0.639455057243 -1.98090700741 TCL: Center of mass = 27.8850517627 0.639348633706 -1.98084144148 TCL: Center of mass = 27.888486072 0.639241889694 -1.9807801354 TCL: Center of mass = 27.8919312412 0.639129419953 -1.9807225534 TCL: Center of mass = 27.8953684238 0.639014020967 -1.98065927288 TCL: Center of mass = 27.898805291 0.638905121799 -1.98059449987 TCL: Center of mass = 27.9022468978 0.638792423691 -1.98052121796 TCL: Center of mass = 27.9056923203 0.63867429622 -1.98043595817 TCL: Center of mass = 27.9091311061 0.638556665148 -1.9803456611 TCL: Center of mass = 27.9125736251 0.638437810441 -1.98025043396 TCL: Center of mass = 27.9160149451 0.638308279423 -1.98015862767 TCL: Center of mass = 27.9194628554 0.638178072713 -1.98007328866 TCL: Center of mass = 27.9229097717 0.638041170734 -1.97998905296 TCL: Center of mass = 27.92636801 0.637902663205 -1.97990497414 TCL: Center of mass = 27.9298289768 0.637766259254 -1.97982385908 TCL: Center of mass = 27.9332824684 0.637627277637 -1.97975624229 TCL: Center of mass = 27.9367435347 0.637486557724 -1.97969126226 TCL: Center of mass = 27.9401944676 0.637335846966 -1.9796299751 TCL: Center of mass = 27.9436335856 0.63718638982 -1.97956019745 TCL: Center of mass = 27.9470801331 0.637040832664 -1.97948846701 TCL: Center of mass = 27.9505264736 0.636901829595 -1.97939823044 TCL: Center of mass = 27.953979672 0.636765665381 -1.97929954321 TCL: Center of mass = 27.9574427585 0.636642537503 -1.97919085595 TCL: Center of mass = 27.9609193346 0.636516138758 -1.97908601676 TCL: Center of mass = 27.96438569 0.636375746343 -1.97898164899 TCL: Center of mass = 27.9678496317 0.636233863856 -1.97887332115 TCL: Center of mass = 27.9713124062 0.636079653283 -1.97875557645 TCL: Center of mass = 27.974783253 0.635922230544 -1.97864076602 TCL: Center of mass = 27.9782635506 0.635772448543 -1.97852948604 TCL: Center of mass = 27.9817445102 0.635633956336 -1.97842144647 TCL: Center of mass = 27.9852299522 0.63548975771 -1.97831828921 TCL: Center of mass = 27.9887121693 0.635345172445 -1.97821859914 TCL: Center of mass = 27.9921795865 0.635204523424 -1.97813152314 TCL: Center of mass = 27.9956551164 0.635060682894 -1.97804818368 TCL: Center of mass = 27.9991448099 0.634920257759 -1.97796928354 TCL: Center of mass = 28.0026335137 0.634773742196 -1.97789288263 TCL: Center of mass = 28.0061179233 0.634626092788 -1.97781735369 TCL: Center of mass = 28.0095976547 0.634473814553 -1.9777425191 TCL: Center of mass = 28.0130795809 0.634321887241 -1.97767202862 TCL: Center of mass = 28.0165485928 0.634178777559 -1.97760497011 TCL: Center of mass = 28.0200255315 0.634035787577 -1.97753785442 TCL: Center of mass = 28.0235012588 0.633908026078 -1.97746969826 TCL: Center of mass = 28.0269745329 0.633785030323 -1.97741093664 TCL: Center of mass = 28.0304548546 0.633666556876 -1.97734145928 TCL: Center of mass = 28.0339259478 0.633546879885 -1.97725267595 TCL: Center of mass = 28.0374018973 0.63342469073 -1.97717747721 TCL: Center of mass = 28.0408707851 0.633304392677 -1.97710466332 TCL: Center of mass = 28.0443520802 0.63319845846 -1.97703333186 TCL: Center of mass = 28.047820503 0.633077651803 -1.97696207163 TCL: Center of mass = 28.0512926772 0.632955794127 -1.97690192531 TCL: Center of mass = 28.0547737617 0.632830865979 -1.97684016621 TCL: Center of mass = 28.0582503167 0.632718675645 -1.97676603388 TCL: Center of mass = 28.0617301608 0.632618728634 -1.97669303128 TCL: Center of mass = 28.0652021795 0.632522926095 -1.97661483047 TCL: Center of mass = 28.0686737855 0.632423668093 -1.97653137692 TCL: Center of mass = 28.0721504605 0.632315242 -1.97646435383 TCL: Center of mass = 28.0756335356 0.632213084544 -1.97639883086 TCL: Center of mass = 28.079123578 0.632109631953 -1.97632578051 TCL: Center of mass = 28.0826071922 0.632005874023 -1.9762497252 TCL: Center of mass = 28.0861020931 0.631913399617 -1.976165905 TCL: Center of mass = 28.0895929016 0.631811353453 -1.97608474721 TCL: Center of mass = 28.0930693238 0.631715534693 -1.97600585179 TCL: Center of mass = 28.0965413555 0.631615253789 -1.97592609633 TCL: Center of mass = 28.1000172845 0.631511102454 -1.97583835487 TCL: Center of mass = 28.103499618 0.631407381158 -1.97574752488 TCL: Center of mass = 28.106974437 0.631294160946 -1.97566002944 TCL: Center of mass = 28.1104601813 0.631177028272 -1.97557323087 TCL: Center of mass = 28.113933438 0.631050227157 -1.97548682768 TCL: Center of mass = 28.117399375 0.63092341576 -1.97539636583 TCL: Center of mass = 28.1208706965 0.630805329683 -1.97529899424 TCL: Center of mass = 28.1243416998 0.630698666104 -1.97519926634 TCL: Center of mass = 28.1278167457 0.630601038428 -1.97509808781 TCL: Center of mass = 28.1312820546 0.630508279473 -1.97499344646 TCL: Center of mass = 28.134745654 0.630421583714 -1.97489312979 TCL: Center of mass = 28.1382206298 0.630347021608 -1.97478962739 TCL: Center of mass = 28.1416867293 0.630273770481 -1.97468205523 TCL: Center of mass = 28.1451456233 0.630197810798 -1.97457253585 TCL: Center of mass = 28.1485886792 0.630133692381 -1.97444304788 TCL: Center of mass = 28.1520336989 0.630048744759 -1.97432363898 TCL: Center of mass = 28.1554649654 0.629972204094 -1.97420411877 TCL: Center of mass = 28.1589062237 0.629888794051 -1.97406919505 TCL: Center of mass = 28.1623466211 0.629808568141 -1.97392563262 TIMING: 9900 CPU: 838.162, 0.0890465/step Wall: 1025.11, -0.24718/step, -0.693478 hours remaining, 22046 kB of memory in use. ENERGY: 9900 428.0299 711.0624 410.9993 44.1443 -2805.7561 -206.7504 0.0000 0.0000 1139.3391 -278.9315 310.5018 -269.5716 -271.5456 315.6064 198.8126 638.7058 64000.0000 693.6068 686.3583 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 = 28.1657806678 0.629738735258 -1.973787911 TCL: Center of mass = 28.1692186174 0.629671373897 -1.97364656953 TCL: Center of mass = 28.1726594261 0.629604684215 -1.97350574273 TCL: Center of mass = 28.1761005197 0.629533911052 -1.97336337052 TCL: Center of mass = 28.1795421115 0.629458832944 -1.97321964352 TCL: Center of mass = 28.1829935044 0.629380766619 -1.97306801644 TCL: Center of mass = 28.186445945 0.629317569988 -1.97292287542 TCL: Center of mass = 28.1898964393 0.629246231667 -1.97277707614 TCL: Center of mass = 28.1933520781 0.629182376916 -1.97263788246 TCL: Center of mass = 28.1968054258 0.629111734243 -1.97249712769 TCL: Center of mass = 28.2002610671 0.629040628393 -1.97235874559 TCL: Center of mass = 28.203716306 0.628981793509 -1.97223220583 TCL: Center of mass = 28.2071684266 0.62892575184 -1.97209054596 TCL: Center of mass = 28.2106198256 0.628869684942 -1.9719499956 TCL: Center of mass = 28.2140744106 0.628807339535 -1.9718088037 TCL: Center of mass = 28.2175359721 0.628741767857 -1.9716572089 TCL: Center of mass = 28.2210000263 0.628669660395 -1.97151432642 TCL: Center of mass = 28.2244573105 0.628594298451 -1.97137617066 TCL: Center of mass = 28.2279232154 0.628522001565 -1.97124681931 TCL: Center of mass = 28.2313984347 0.628451863011 -1.97111576063 TCL: Center of mass = 28.234878241 0.628387814619 -1.97098831555 TCL: Center of mass = 28.2383542213 0.628321195655 -1.97085292515 TCL: Center of mass = 28.2418225959 0.628239020925 -1.97071786751 TCL: Center of mass = 28.2452790493 0.628165616318 -1.97058153701 TCL: Center of mass = 28.2487405887 0.628098989915 -1.97044202 TCL: Center of mass = 28.2521959215 0.628031346741 -1.97030871087 TCL: Center of mass = 28.2556498931 0.627955768836 -1.9701593977 TCL: Center of mass = 28.2591010496 0.6278753342 -1.97000712341 TCL: Center of mass = 28.26254393 0.627794672063 -1.96985435551 TCL: Center of mass = 28.2659812937 0.627722543288 -1.96968847813 TCL: Center of mass = 28.2694076434 0.627657999681 -1.9695298657 TCL: Center of mass = 28.2728311135 0.627592713925 -1.96935733932 TCL: Center of mass = 28.2762668695 0.627521195412 -1.96918798079 TCL: Center of mass = 28.2797062678 0.627433653752 -1.96902731609 TCL: Center of mass = 28.2831542339 0.627337032558 -1.96885741976 TCL: Center of mass = 28.2865931116 0.62723250761 -1.96869522561 TCL: Center of mass = 28.2900328371 0.627133457559 -1.96852708507 TCL: Center of mass = 28.2934809784 0.627039486257 -1.96836885964 TCL: Center of mass = 28.296920044 0.62694978066 -1.96820802477 TCL: Center of mass = 28.3003610267 0.626864494696 -1.96805225557 TCL: Center of mass = 28.3037969282 0.626769988373 -1.96790590113 TCL: Center of mass = 28.3072368479 0.626666451218 -1.96775513319 TCL: Center of mass = 28.3106660295 0.626562298128 -1.96761035656 TCL: Center of mass = 28.3140976407 0.626453783528 -1.96745380147 TCL: Center of mass = 28.3175342336 0.626350948888 -1.96730550568 TCL: Center of mass = 28.3209649586 0.626243348751 -1.96715761877 TCL: Center of mass = 28.3243980615 0.626130977192 -1.9670067323 TCL: Center of mass = 28.32783822 0.62599953317 -1.96685945493 TCL: Center of mass = 28.3312772846 0.625873385802 -1.96672067298 TCL: Center of mass = 28.3347171265 0.625744042481 -1.96659631335 TCL: Center of mass = 28.3381535383 0.625625377129 -1.96646483308 TCL: Center of mass = 28.3415946016 0.625496583984 -1.96633094948 TCL: Center of mass = 28.3450419079 0.625371249901 -1.96619638137 TCL: Center of mass = 28.3484933579 0.625242571385 -1.96605292538 TCL: Center of mass = 28.3519473417 0.625115891818 -1.965912877 TCL: Center of mass = 28.3553946167 0.624982432599 -1.96577862522 TCL: Center of mass = 28.3588393103 0.6248517426 -1.9656397539 TCL: Center of mass = 28.3622776867 0.624732400703 -1.96550425036 TCL: Center of mass = 28.365714284 0.62463134004 -1.96535808284 TCL: Center of mass = 28.3691563389 0.624524811004 -1.9652249414 TCL: Center of mass = 28.372594468 0.624398852612 -1.96509271024 TCL: Center of mass = 28.3760294363 0.624272557617 -1.96495643231 TCL: Center of mass = 28.3794725874 0.624153053303 -1.96482713497 TCL: Center of mass = 28.3829278794 0.624033047253 -1.9646936298 TCL: Center of mass = 28.3863923293 0.623919026586 -1.96454978947 TCL: Center of mass = 28.3898563865 0.623799062039 -1.96440313455 TCL: Center of mass = 28.3933132667 0.6236911891 -1.9642754939 TCL: Center of mass = 28.3967697486 0.623585499113 -1.96413265534 TCL: Center of mass = 28.400219704 0.623480814941 -1.96399353456 TCL: Center of mass = 28.4036847005 0.623371364661 -1.96385511851 TCL: Center of mass = 28.407146251 0.623270688648 -1.96372091319 TCL: Center of mass = 28.4106108346 0.623180815796 -1.96359914142 TCL: Center of mass = 28.4140680671 0.623096653483 -1.96348934774 TCL: Center of mass = 28.4175200671 0.623020020341 -1.96337131901 TCL: Center of mass = 28.4209788912 0.622940689438 -1.96326255854 TCL: Center of mass = 28.4244323249 0.622858471547 -1.96315801303 TCL: Center of mass = 28.4278890078 0.622780343512 -1.96305102372 TCL: Center of mass = 28.4313410981 0.622707146966 -1.96294691194 TCL: Center of mass = 28.4347896733 0.622631695848 -1.96283864761 TCL: Center of mass = 28.4382396728 0.622560212174 -1.9627347264 TCL: Center of mass = 28.4416959429 0.622469961186 -1.96263882172 TCL: Center of mass = 28.445148841 0.62238574404 -1.96255067561 TCL: Center of mass = 28.4485993573 0.622296541325 -1.96246744032 TCL: Center of mass = 28.4520576117 0.622209633568 -1.96238324011 TCL: Center of mass = 28.4555210791 0.622113486335 -1.96229794342 TCL: Center of mass = 28.4589839356 0.622007599109 -1.9622234626 TCL: Center of mass = 28.4624398077 0.621907542205 -1.96214364062 TCL: Center of mass = 28.4659027952 0.621815167036 -1.96206578343 TCL: Center of mass = 28.4693590747 0.621717324248 -1.96199583468 TCL: Center of mass = 28.4727979485 0.621626579015 -1.96193002366 TCL: Center of mass = 28.4762302558 0.621537844384 -1.96186422306 TCL: Center of mass = 28.4796458608 0.6214448471 -1.96179539439 TCL: Center of mass = 28.4830585077 0.621340326947 -1.96172854053 TCL: Center of mass = 28.4864645805 0.621237908866 -1.96166976574 TCL: Center of mass = 28.4898702966 0.621142498719 -1.96161827582 TCL: Center of mass = 28.4932738351 0.621041945732 -1.96156288257 TCL: Center of mass = 28.4966749618 0.620943266499 -1.96150495835 TCL: Center of mass = 28.5000726933 0.620849034821 -1.96144313873 TCL: Center of mass = 28.503465187 0.620766291348 -1.96138565794 TCL: Center of mass = 28.5068631935 0.620687555343 -1.96133754896 TIMING: 10000 CPU: 846.743, 0.085817/step Wall: 1035.63, 0.105228/step, 0.2923 hours remaining, 22046 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 403.3751 661.3847 426.3754 43.4588 -2775.2480 -220.2845 0.0000 0.0000 1178.6871 -282.2513 321.2252 -273.1320 -274.2404 318.6514 732.0968 849.0987 64000.0000 523.3996 521.5253 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 = 28.5102509031 0.620602167299 -1.96128659175 TCL: Center of mass = 28.5136460976 0.620509532147 -1.96122427281 TCL: Center of mass = 28.5170331803 0.620427778213 -1.96116566884 TCL: Center of mass = 28.520412403 0.620343529379 -1.96110902276 TCL: Center of mass = 28.523793445 0.620265715778 -1.96105549685 TCL: Center of mass = 28.5271633155 0.620192535769 -1.96099828321 TCL: Center of mass = 28.5305270628 0.620122802616 -1.96094425462 TCL: Center of mass = 28.5338868319 0.620065473075 -1.9608956195 TCL: Center of mass = 28.5372460201 0.620011122726 -1.96084285446 TCL: Center of mass = 28.5406030775 0.619968062698 -1.96079523147 TCL: Center of mass = 28.5439677207 0.619921670175 -1.96075742696 TCL: Center of mass = 28.5473352715 0.619869920148 -1.96071912158 TCL: Center of mass = 28.5507074351 0.619821740716 -1.96069431508 TCL: Center of mass = 28.5540827091 0.619779456288 -1.96065816321 TCL: Center of mass = 28.5574403967 0.619737667165 -1.96062777031 TCL: Center of mass = 28.5608068314 0.619709933516 -1.96059314623 TCL: Center of mass = 28.5641758331 0.619694108818 -1.96055411074 TCL: Center of mass = 28.5675541646 0.61967795524 -1.96052031969 TCL: Center of mass = 28.5709345744 0.619662455875 -1.96049664328 TCL: Center of mass = 28.574320702 0.619652882023 -1.96046968206 TCL: Center of mass = 28.5777046743 0.619648160125 -1.96044071905 TCL: Center of mass = 28.5810907422 0.619638692971 -1.96041675264 TCL: Center of mass = 28.5844877089 0.619624585208 -1.96039587514 TCL: Center of mass = 28.5878838477 0.619612778379 -1.96038082119 TCL: Center of mass = 28.5912743362 0.619600092186 -1.96037235383 TCL: Center of mass = 28.5946537447 0.619587379148 -1.96037590316 TCL: Center of mass = 28.5980355092 0.619568666019 -1.96036428793 TCL: Center of mass = 28.6014172643 0.61955410224 -1.96034541362 TCL: Center of mass = 28.6048054209 0.619536077657 -1.96032404352 TCL: Center of mass = 28.6081994145 0.619511474567 -1.9603084602 TCL: Center of mass = 28.6115898311 0.619483585223 -1.96028281816 TCL: Center of mass = 28.6149735575 0.619452401762 -1.96026285316 TCL: Center of mass = 28.618355524 0.619416295801 -1.96023903119 TCL: Center of mass = 28.6217274588 0.619369905981 -1.96023087105 TCL: Center of mass = 28.6251024897 0.619338131927 -1.96022903895 TCL: Center of mass = 28.6284854669 0.61930169173 -1.96022819252 TCL: Center of mass = 28.6318604879 0.619269272251 -1.96023645453 TCL: Center of mass = 28.6352375613 0.619227342622 -1.96023882085 TCL: Center of mass = 28.6386066679 0.619185911877 -1.96022393789 TCL: Center of mass = 28.6419818581 0.619135439067 -1.96020693277 TCL: Center of mass = 28.6453568888 0.619076880121 -1.9601668933 TCL: Center of mass = 28.6487310538 0.619014477552 -1.9601211575 TCL: Center of mass = 28.6521074976 0.618939978967 -1.96008252483 TCL: Center of mass = 28.6554806718 0.618871404716 -1.96004877032 TCL: Center of mass = 28.6588681741 0.618802487484 -1.96002709757 TCL: Center of mass = 28.6622590897 0.618733981292 -1.96000431149 TCL: Center of mass = 28.6656581236 0.618655557034 -1.95999100605 TCL: Center of mass = 28.6690683304 0.618582578008 -1.95996662024 TCL: Center of mass = 28.6724782279 0.618522207384 -1.95995525195 TCL: Center of mass = 28.6758757549 0.618456640112 -1.95993760867 TCL: Center of mass = 28.6792724804 0.618377678868 -1.95992815121 TCL: Center of mass = 28.6826719893 0.618288532709 -1.95990775217 TCL: Center of mass = 28.6860711608 0.618199585505 -1.95989540183 TCL: Center of mass = 28.6894671268 0.618108248817 -1.95987845273 TCL: Center of mass = 28.6928622513 0.618020289164 -1.95985654173 TCL: Center of mass = 28.6962658569 0.6179250808 -1.95983070898 TCL: Center of mass = 28.6996693377 0.61783376481 -1.95980714607 TCL: Center of mass = 28.7030680111 0.617736391404 -1.95978368766 TCL: Center of mass = 28.7064622011 0.617644181894 -1.95976404059 TCL: Center of mass = 28.7098502045 0.617562013389 -1.95974046682 TCL: Center of mass = 28.7132400759 0.617475020118 -1.95971370547 TCL: Center of mass = 28.7166377018 0.617394267417 -1.95967605124 TCL: Center of mass = 28.7200330624 0.617320093972 -1.95963656261 TCL: Center of mass = 28.7234249417 0.617257236681 -1.95959729562 TCL: Center of mass = 28.7267971227 0.61719091195 -1.95955594001 TCL: Center of mass = 28.7301568018 0.617133474608 -1.95950745526 TCL: Center of mass = 28.7335156025 0.617074617115 -1.95945985764 TCL: Center of mass = 28.7368775871 0.617006514478 -1.95941908461 TCL: Center of mass = 28.740251104 0.616945779087 -1.95938181094 TCL: Center of mass = 28.7436281873 0.616881300222 -1.9593682408 TCL: Center of mass = 28.7470085738 0.616820491498 -1.95935462368 TCL: Center of mass = 28.7503890011 0.616758642621 -1.95934865978 TCL: Center of mass = 28.7537746628 0.616690854196 -1.95933654615 TCL: Center of mass = 28.7571597936 0.616617873795 -1.95933157995 TCL: Center of mass = 28.7605423759 0.616540377153 -1.95933477364 TCL: Center of mass = 28.763920711 0.616458155214 -1.95933774061 TCL: Center of mass = 28.7673026888 0.616369201931 -1.95934245373 TCL: Center of mass = 28.7706933602 0.61628131772 -1.95934434923 TCL: Center of mass = 28.7740863378 0.616189098454 -1.95935309907 TCL: Center of mass = 28.7774783485 0.616106446596 -1.95936490568 TCL: Center of mass = 28.7808527144 0.616020263277 -1.95937718443 TCL: Center of mass = 28.7842310032 0.615937432355 -1.95939308904 TCL: Center of mass = 28.7876097611 0.615851017779 -1.9594099689 TCL: Center of mass = 28.7909830296 0.615771346984 -1.95942152915 TCL: Center of mass = 28.794358481 0.615704732538 -1.95944407915 TCL: Center of mass = 28.7977319447 0.615652235869 -1.95946859494 TCL: Center of mass = 28.8011032826 0.615587278557 -1.95948208633 TCL: Center of mass = 28.8044727796 0.615532065473 -1.95950984635 TCL: Center of mass = 28.8078428014 0.615481617178 -1.95952929491 TCL: Center of mass = 28.8112068448 0.615424233356 -1.9595461511 TCL: Center of mass = 28.8145708666 0.615373671766 -1.95957141806 TCL: Center of mass = 28.8179435173 0.615325957758 -1.9596020592 TCL: Center of mass = 28.8213123134 0.615277722509 -1.95963975977 TCL: Center of mass = 28.8246814327 0.615220002478 -1.9596708543 TCL: Center of mass = 28.8280504917 0.615167094203 -1.95970116472 TCL: Center of mass = 28.8314264449 0.615105525863 -1.95972647071 TCL: Center of mass = 28.8348198529 0.615051241613 -1.959761516 TCL: Center of mass = 28.8382081098 0.614996212538 -1.95978290902 TCL: Center of mass = 28.8415924486 0.61494229761 -1.95980745505 TCL: Center of mass = 28.8449861227 0.614887793414 -1.95981714561 TIMING: 10100 CPU: 855.354, 0.0861069/step Wall: 1046.2, 0.105635/step, 0.290496 hours remaining, 22050 kB of memory in use. ENERGY: 10100 402.7302 712.6299 408.7724 41.5870 -2812.8663 -199.1385 0.0000 0.0000 1172.3009 -273.9845 319.4848 -265.0987 -264.8756 316.7839 1170.3777 618.0873 64000.0000 832.4709 834.8869 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 = 28.8483838065 0.614830412341 -1.95982787862 TCL: Center of mass = 28.8517679873 0.614778751448 -1.95984137169 TCL: Center of mass = 28.8551417986 0.614717896527 -1.95985771236 TCL: Center of mass = 28.858512402 0.614649061301 -1.95988847183 TCL: Center of mass = 28.8618806649 0.614584472388 -1.95991748639 TCL: Center of mass = 28.8652653755 0.614534160275 -1.9599425613 TCL: Center of mass = 28.868651652 0.614478542615 -1.95994489713 TCL: Center of mass = 28.8720282618 0.614415952597 -1.9599372902 TCL: Center of mass = 28.8754047059 0.614355127693 -1.95992933338 TCL: Center of mass = 28.8787680291 0.614286865881 -1.9599300947 TCL: Center of mass = 28.8821355377 0.614219549575 -1.95993603385 TCL: Center of mass = 28.8855034097 0.614149904956 -1.95993988449 TCL: Center of mass = 28.8888721237 0.614069139232 -1.95995662569 TCL: Center of mass = 28.892252135 0.613970960064 -1.9599693334 TCL: Center of mass = 28.8956292894 0.613878792881 -1.95997629401 TCL: Center of mass = 28.8989955424 0.613794096288 -1.95998734985 TCL: Center of mass = 28.9023738562 0.613698850505 -1.95999765718 TCL: Center of mass = 28.9057514393 0.613599004418 -1.96002111681 TCL: Center of mass = 28.9091266096 0.613507439692 -1.96004291011 TCL: Center of mass = 28.9125084083 0.61341785312 -1.96005799054 TCL: Center of mass = 28.9158916949 0.61332387092 -1.96007720932 TCL: Center of mass = 28.91927331 0.613236264528 -1.96011382755 TCL: Center of mass = 28.9226585471 0.613148473851 -1.96015556351 TCL: Center of mass = 28.9260449299 0.613057288199 -1.96018333654 TCL: Center of mass = 28.9294455191 0.612964160693 -1.96021119367 TCL: Center of mass = 28.9328539818 0.612875699995 -1.96024111291 TCL: Center of mass = 28.9362623165 0.612792887558 -1.96027564231 TCL: Center of mass = 28.9396734517 0.612722077422 -1.96031145855 TCL: Center of mass = 28.9430955157 0.612670388247 -1.96034141823 TCL: Center of mass = 28.9465264184 0.61262700042 -1.96036103544 TCL: Center of mass = 28.9499547853 0.612581547397 -1.96037754023 TCL: Center of mass = 28.9533826858 0.612535139923 -1.96038449261 TCL: Center of mass = 28.9568167744 0.61248722989 -1.9603848559 TCL: Center of mass = 28.9602524131 0.612436390444 -1.96038709527 TCL: Center of mass = 28.9636912473 0.612388168413 -1.9603965763 TCL: Center of mass = 28.9671220584 0.61234948201 -1.96040982546 TCL: Center of mass = 28.9705687673 0.612316486593 -1.96043384966 TCL: Center of mass = 28.9740106937 0.612285431299 -1.96045345676 TCL: Center of mass = 28.9774635214 0.612257683642 -1.96047348035 TCL: Center of mass = 28.9809070532 0.612234841821 -1.96048059732 TCL: Center of mass = 28.9843575317 0.61221230771 -1.96050287179 TCL: Center of mass = 28.9878185943 0.612181738307 -1.96053071654 TCL: Center of mass = 28.9912766635 0.612167047813 -1.96056119643 TCL: Center of mass = 28.9947369544 0.612153398905 -1.9605868623 TCL: Center of mass = 28.998192796 0.612138798419 -1.9606187895 TCL: Center of mass = 29.0016503675 0.612121280551 -1.96065598168 TCL: Center of mass = 29.0051090326 0.612103204699 -1.9606898224 TCL: Center of mass = 29.0085644408 0.612100841382 -1.96071754028 TCL: Center of mass = 29.0120226314 0.6120977484 -1.9607478486 TCL: Center of mass = 29.0154849952 0.612084491623 -1.96077457032 TCL: Center of mass = 29.0189579119 0.612070606778 -1.96079768445 TCL: Center of mass = 29.0224436015 0.612054338336 -1.9608154322 TCL: Center of mass = 29.0259276716 0.612038781515 -1.96083506566 TCL: Center of mass = 29.029402423 0.612008938313 -1.96084538078 TCL: Center of mass = 29.0328769343 0.611978368822 -1.96084907742 TCL: Center of mass = 29.0363500166 0.611939882603 -1.96085151946 TCL: Center of mass = 29.039806816 0.61190134521 -1.9608462137 TCL: Center of mass = 29.0432733295 0.611863214483 -1.96083946252 TCL: Center of mass = 29.0467388685 0.611829038357 -1.96083845721 TCL: Center of mass = 29.0502081472 0.611788372206 -1.96082347099 TCL: Center of mass = 29.0536779256 0.611750627863 -1.96080768952 TCL: Center of mass = 29.0571451546 0.611715931461 -1.96079326362 TCL: Center of mass = 29.0606105097 0.611680397893 -1.96079057997 TCL: Center of mass = 29.0640691677 0.611645617308 -1.96079406821 TCL: Center of mass = 29.0675238424 0.611615321975 -1.96080677691 TCL: Center of mass = 29.0709761971 0.611596781611 -1.96081755205 TCL: Center of mass = 29.0744194455 0.611586406268 -1.96084025334 TCL: Center of mass = 29.0778655992 0.61157855646 -1.96086235319 TCL: Center of mass = 29.0813247672 0.611580632765 -1.96086970647 TCL: Center of mass = 29.0847983622 0.61158954422 -1.96087304318 TCL: Center of mass = 29.0882692528 0.611589878858 -1.96087098086 TCL: Center of mass = 29.0917372568 0.611595260054 -1.9608693459 TCL: Center of mass = 29.0952057323 0.611594789387 -1.96086805447 TCL: Center of mass = 29.0986775075 0.611599399503 -1.96087115585 TCL: Center of mass = 29.102163678 0.611598019252 -1.96087347949 TCL: Center of mass = 29.1056537332 0.611590666581 -1.96087783189 TCL: Center of mass = 29.1091437221 0.611573239916 -1.96087568516 TCL: Center of mass = 29.1126277535 0.611562206258 -1.96088266981 TCL: Center of mass = 29.1161015486 0.611550532195 -1.96088508903 TCL: Center of mass = 29.1195742265 0.611543850373 -1.96089060174 TCL: Center of mass = 29.1230445756 0.611539694392 -1.9608869099 TCL: Center of mass = 29.1265342401 0.611536675955 -1.9608813673 TCL: Center of mass = 29.1300133711 0.611540446034 -1.96086740738 TCL: Center of mass = 29.1334903444 0.611540686706 -1.96084629419 TCL: Center of mass = 29.1369593197 0.611538160633 -1.96083245391 TCL: Center of mass = 29.1404257187 0.611536349744 -1.96082669464 TCL: Center of mass = 29.1438785305 0.611540133711 -1.96081232926 TCL: Center of mass = 29.1473185814 0.611541281903 -1.96079895959 TCL: Center of mass = 29.1507635306 0.611552346663 -1.96078471245 TCL: Center of mass = 29.1542159115 0.611554816688 -1.96076947452 TCL: Center of mass = 29.1576575692 0.611542068004 -1.96075310074 TCL: Center of mass = 29.1610861703 0.611515836958 -1.96073624403 TCL: Center of mass = 29.1645180767 0.611481042363 -1.96073035244 TCL: Center of mass = 29.1679412654 0.611436825491 -1.96072418211 TCL: Center of mass = 29.1713541271 0.611383677848 -1.96071704963 TCL: Center of mass = 29.1747527251 0.61133160964 -1.96069610216 TCL: Center of mass = 29.1781564769 0.611282066039 -1.96068098304 TCL: Center of mass = 29.1815623365 0.611240746438 -1.96066546763 TCL: Center of mass = 29.1849687238 0.611202063459 -1.96066198147 TCL: Center of mass = 29.1883883 0.611152403508 -1.96067029847 TIMING: 10200 CPU: 863.963, 0.0860869/step Wall: 1056.75, 0.105581/step, 0.287415 hours remaining, 22050 kB of memory in use. ENERGY: 10200 437.2937 681.7990 406.4079 40.1777 -2793.6783 -215.4724 0.0000 0.0000 1166.9017 -276.5706 318.0133 -267.9099 -266.7130 317.1475 332.1023 8.3859 64000.0000 490.1016 488.5782 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 = 29.1918058434 0.611110058777 -1.96066588275 TCL: Center of mass = 29.1952324177 0.611068261447 -1.96065383674 TCL: Center of mass = 29.1986610789 0.611027749668 -1.96064249935 TCL: Center of mass = 29.2021033299 0.610986116649 -1.9606343983 TCL: Center of mass = 29.2055435349 0.610943989913 -1.96063335174 TCL: Center of mass = 29.2089795493 0.610894900541 -1.9606426304 TCL: Center of mass = 29.2124155125 0.610844114466 -1.96066055042 TCL: Center of mass = 29.2158590032 0.610792070123 -1.96068041002 TCL: Center of mass = 29.2193123065 0.610740132951 -1.96070074913 TCL: Center of mass = 29.222770147 0.610690451731 -1.96072729527 TCL: Center of mass = 29.2262264331 0.610645782295 -1.96075123353 TCL: Center of mass = 29.2296769704 0.610612714706 -1.96077916402 TCL: Center of mass = 29.2331236118 0.610579427293 -1.96081453202 TCL: Center of mass = 29.2365587895 0.610549776773 -1.96085236266 TCL: Center of mass = 29.2400034134 0.610524939368 -1.96088947476 TCL: Center of mass = 29.243444836 0.610492184028 -1.96092654367 TCL: Center of mass = 29.2468855704 0.610457620058 -1.96095516092 TCL: Center of mass = 29.2503365435 0.610424849086 -1.96097051145 TCL: Center of mass = 29.2537935824 0.61038212206 -1.96098189106 TCL: Center of mass = 29.2572565389 0.610339628602 -1.96100443605 TCL: Center of mass = 29.2607189572 0.610287954999 -1.96103491594 TCL: Center of mass = 29.264189926 0.610235665706 -1.96106818603 TCL: Center of mass = 29.2676653968 0.61018988789 -1.96109993482 TCL: Center of mass = 29.2711428494 0.610148246943 -1.9611294631 TCL: Center of mass = 29.2746169508 0.610108267266 -1.96115420694 TCL: Center of mass = 29.2780859277 0.610073772402 -1.96117186379 TCL: Center of mass = 29.2815704916 0.610036832345 -1.96118131791 TCL: Center of mass = 29.2850542514 0.610001831515 -1.96119290532 TCL: Center of mass = 29.2885338305 0.609972089955 -1.96121666108 TCL: Center of mass = 29.2920068922 0.609952351171 -1.96125036025 TCL: Center of mass = 29.2954884554 0.609928512588 -1.96128561979 TCL: Center of mass = 29.2989706819 0.609905221965 -1.96132652223 TCL: Center of mass = 29.3024457025 0.609880163633 -1.96137368123 TCL: Center of mass = 29.3059091017 0.609853896022 -1.96141110556 TCL: Center of mass = 29.309384674 0.609830913606 -1.96144179568 TCL: Center of mass = 29.3128505451 0.609815121375 -1.96147089948 TCL: Center of mass = 29.3163129756 0.609808464044 -1.96149337944 TCL: Center of mass = 29.3197806403 0.609804979368 -1.96151286744 TCL: Center of mass = 29.3232543109 0.609805318344 -1.96153833021 TCL: Center of mass = 29.3267227708 0.60979417669 -1.961550249 TCL: Center of mass = 29.3301928815 0.609782599452 -1.96155752072 TCL: Center of mass = 29.3336570841 0.609765959868 -1.96156645589 TCL: Center of mass = 29.3371152977 0.609730366351 -1.96156975868 TCL: Center of mass = 29.340575554 0.60970639939 -1.96157447237 TCL: Center of mass = 29.3440230355 0.609680468114 -1.96157894732 TCL: Center of mass = 29.3474883428 0.609654787912 -1.96157512181 TCL: Center of mass = 29.350943217 0.609628808687 -1.96157830806 TCL: Center of mass = 29.3544063384 0.609593660019 -1.96157771888 TCL: Center of mass = 29.357872351 0.609576350508 -1.96157432172 TCL: Center of mass = 29.3613395216 0.609559439279 -1.96157819527 TCL: Center of mass = 29.3647941024 0.609555724111 -1.96158705872 TCL: Center of mass = 29.3682316118 0.609540237127 -1.96159549553 TCL: Center of mass = 29.3716603632 0.609528835504 -1.96159738239 TCL: Center of mass = 29.3750864852 0.60952001777 -1.96160261703 TCL: Center of mass = 29.3785189828 0.609507970842 -1.96160732349 TCL: Center of mass = 29.3819570894 0.609498426845 -1.96161256608 TCL: Center of mass = 29.3853941366 0.60947741358 -1.96162221054 TCL: Center of mass = 29.3888299875 0.609455029201 -1.9616317389 TCL: Center of mass = 29.3922756471 0.609428183308 -1.96164317571 TCL: Center of mass = 29.3957208432 0.609396537553 -1.96163885784 TCL: Center of mass = 29.3991524637 0.609367512266 -1.96163592801 TCL: Center of mass = 29.4025758796 0.609338121998 -1.96163545599 TCL: Center of mass = 29.4060148023 0.609297525633 -1.96163296241 TCL: Center of mass = 29.4094529787 0.609254111311 -1.96163134438 TCL: Center of mass = 29.4128818528 0.609211088125 -1.96162730848 TCL: Center of mass = 29.416315625 0.609165734752 -1.96162012703 TCL: Center of mass = 29.4197451981 0.609119334931 -1.96160205848 TCL: Center of mass = 29.4231732041 0.609065757039 -1.96158015285 TCL: Center of mass = 29.4266058799 0.609004858703 -1.96156488863 TCL: Center of mass = 29.4300314519 0.608935938428 -1.96154587867 TCL: Center of mass = 29.4334637894 0.60886282047 -1.96153062146 TCL: Center of mass = 29.436893253 0.608801341404 -1.96150682206 TCL: Center of mass = 29.4403259694 0.60873572841 -1.96148450856 TCL: Center of mass = 29.4437627655 0.608669841933 -1.96146248144 TCL: Center of mass = 29.4472017013 0.608611210341 -1.96144910999 TCL: Center of mass = 29.4506444196 0.608548826779 -1.96144749726 TCL: Center of mass = 29.4540907937 0.608488394016 -1.96144023157 TCL: Center of mass = 29.4575334519 0.608418703395 -1.96142229172 TCL: Center of mass = 29.4609814052 0.608353856672 -1.96140465306 TCL: Center of mass = 29.4644271252 0.608296409624 -1.9613884463 TCL: Center of mass = 29.4678713742 0.608248052306 -1.96137732738 TCL: Center of mass = 29.471304177 0.608195809036 -1.96136677054 TCL: Center of mass = 29.4747457555 0.608136737378 -1.96135065859 TCL: Center of mass = 29.4781779808 0.608087368753 -1.96132897367 TCL: Center of mass = 29.4816243031 0.608039916669 -1.96132242806 TCL: Center of mass = 29.4850769465 0.607995403999 -1.96131361721 TCL: Center of mass = 29.4885371619 0.60795242478 -1.96130189574 TCL: Center of mass = 29.4919977176 0.607893165759 -1.96128801814 TCL: Center of mass = 29.4954622823 0.607827386882 -1.96127677501 TCL: Center of mass = 29.4989249091 0.607773331553 -1.96125555828 TCL: Center of mass = 29.5023844673 0.607724308311 -1.96123351614 TCL: Center of mass = 29.505851514 0.60768442707 -1.96121105976 TCL: Center of mass = 29.5093177832 0.607639566135 -1.96119205534 TCL: Center of mass = 29.5127895701 0.607597965823 -1.96116956399 TCL: Center of mass = 29.5162631524 0.607554721405 -1.9611409197 TCL: Center of mass = 29.5197379307 0.607505329476 -1.96110910231 TCL: Center of mass = 29.5232186596 0.607461144944 -1.96108492117 TCL: Center of mass = 29.5267058722 0.607416136528 -1.9610663078 TCL: Center of mass = 29.5301864396 0.607369487034 -1.9610540519 TCL: Center of mass = 29.5336587673 0.6073238286 -1.96104955107 TIMING: 10300 CPU: 872.545, 0.085827/step Wall: 1067.28, 0.105252/step, 0.283597 hours remaining, 22051 kB of memory in use. ENERGY: 10300 417.0793 677.0153 406.7441 48.8443 -2779.6017 -207.9619 0.0000 0.0000 1167.0756 -270.8050 318.0607 -261.8692 -261.7710 319.3670 1114.1899 847.8759 64000.0000 552.5114 557.5286 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 = 29.5371163838 0.607261837026 -1.96104311472 TCL: Center of mass = 29.5405791525 0.607195203245 -1.96103669585 TCL: Center of mass = 29.5440392292 0.607130753272 -1.96102412026 TCL: Center of mass = 29.5474950959 0.607053221244 -1.96100174854 TCL: Center of mass = 29.5509384978 0.606981796798 -1.96099641004 TCL: Center of mass = 29.5543779528 0.606919563463 -1.9609810484 TCL: Center of mass = 29.5578133763 0.606856844596 -1.96097834115 TCL: Center of mass = 29.5612543019 0.606784868139 -1.96097283259 TCL: Center of mass = 29.5646973423 0.606706436974 -1.96097050313 TCL: Center of mass = 29.5681291742 0.606633054805 -1.96096675019 TCL: Center of mass = 29.571554358 0.606558739615 -1.96096186909 TCL: Center of mass = 29.5749767863 0.606477714499 -1.96096176464 TCL: Center of mass = 29.5784027646 0.606402844144 -1.96096611323 TCL: Center of mass = 29.5818229737 0.606316985486 -1.96096667961 TCL: Center of mass = 29.5852440691 0.606230627416 -1.96096917539 TCL: Center of mass = 29.5886575474 0.606136115775 -1.96097943155 TCL: Center of mass = 29.5920767515 0.606025619824 -1.96098505691 TCL: Center of mass = 29.595499563 0.605916123683 -1.96098813515 TCL: Center of mass = 29.5989213499 0.605801682811 -1.96099056649 TCL: Center of mass = 29.6023447344 0.605685109274 -1.96098538381 TCL: Center of mass = 29.6057567899 0.605571512631 -1.96097754933 TCL: Center of mass = 29.609175944 0.605464916771 -1.96096760987 TCL: Center of mass = 29.6125868594 0.605370445384 -1.96095230803 TCL: Center of mass = 29.6159957004 0.605266883051 -1.96093425276 TCL: Center of mass = 29.6194017477 0.605167133499 -1.96091461359 TCL: Center of mass = 29.6228131778 0.60507405505 -1.96089381194 TCL: Center of mass = 29.6262248456 0.604968918753 -1.96086449311 TCL: Center of mass = 29.6296325592 0.604868819563 -1.9608355327 TCL: Center of mass = 29.633035882 0.604770843798 -1.96081385368 TCL: Center of mass = 29.636444142 0.604667648339 -1.96080292095 TCL: Center of mass = 29.639860893 0.604556492303 -1.96080130802 TCL: Center of mass = 29.6432836381 0.604441328087 -1.96079698055 TCL: Center of mass = 29.6467116065 0.604332762224 -1.96079974002 TCL: Center of mass = 29.6501423377 0.60422017586 -1.96081055491 TCL: Center of mass = 29.6535694309 0.604110147034 -1.96082942571 TCL: Center of mass = 29.6570085225 0.604006825858 -1.9608594845 TCL: Center of mass = 29.660433241 0.603896257582 -1.9608943351 TCL: Center of mass = 29.6638520851 0.603793757079 -1.96092079843 TCL: Center of mass = 29.6672745653 0.603686202811 -1.96094607905 TCL: Center of mass = 29.6706936718 0.603568527095 -1.96097131566 TCL: Center of mass = 29.6741083102 0.603443069602 -1.9609867979 TCL: Center of mass = 29.6775279298 0.603303559429 -1.96100662723 TCL: Center of mass = 29.6809530021 0.603156472556 -1.96102871622 TCL: Center of mass = 29.6843791479 0.603013073869 -1.96105249355 TCL: Center of mass = 29.6878057405 0.602874225004 -1.96107927407 TCL: Center of mass = 29.6912318145 0.602746243402 -1.96109454135 TCL: Center of mass = 29.6946463153 0.602622356391 -1.96112275459 TCL: Center of mass = 29.6980506231 0.602497726914 -1.96114516723 TCL: Center of mass = 29.7014525072 0.602374249597 -1.96118258765 TCL: Center of mass = 29.7048606254 0.602241379817 -1.96122880811 TCL: Center of mass = 29.7082753059 0.602098088563 -1.96126345171 TCL: Center of mass = 29.7116925532 0.601953611052 -1.96130304466 TCL: Center of mass = 29.7150963066 0.601810113604 -1.96134890063 TCL: Center of mass = 29.7184972335 0.601668021673 -1.96138670844 TCL: Center of mass = 29.7218992063 0.601541782463 -1.96142491277 TCL: Center of mass = 29.7253136221 0.601414985927 -1.96145919542 TCL: Center of mass = 29.7287186136 0.601274936546 -1.96149150893 TCL: Center of mass = 29.7321182725 0.60114043547 -1.96153057448 TCL: Center of mass = 29.7355113907 0.601003601637 -1.96157137708 TCL: Center of mass = 29.7389033758 0.600864726905 -1.96162376872 TCL: Center of mass = 29.7422859761 0.600720402727 -1.96167853734 TCL: Center of mass = 29.7456668199 0.600581440282 -1.96173563347 TCL: Center of mass = 29.7490552535 0.600439475989 -1.96178552285 TCL: Center of mass = 29.7524341009 0.600290840722 -1.96183214547 TCL: Center of mass = 29.7558137046 0.600135064966 -1.96188373533 TCL: Center of mass = 29.7592012893 0.599982456399 -1.96193931918 TCL: Center of mass = 29.7626014803 0.599809835435 -1.96199052575 TCL: Center of mass = 29.7659994744 0.599639954822 -1.96203563362 TCL: Center of mass = 29.769388726 0.599480158824 -1.96209085099 TCL: Center of mass = 29.7727878194 0.599317092376 -1.96214201781 TCL: Center of mass = 29.776197316 0.599157501748 -1.96219536196 TCL: Center of mass = 29.7796054284 0.599008365064 -1.96223659143 TCL: Center of mass = 29.7830055658 0.598852824117 -1.9622831584 TCL: Center of mass = 29.7864006264 0.598695592783 -1.96232198543 TCL: Center of mass = 29.7897922309 0.598549287126 -1.96236737673 TCL: Center of mass = 29.7931899111 0.598399045025 -1.96239900694 TCL: Center of mass = 29.796585141 0.59825619661 -1.96243412685 TCL: Center of mass = 29.7999839196 0.598104296808 -1.96247255504 TCL: Center of mass = 29.8033908587 0.59795206561 -1.96251267621 TCL: Center of mass = 29.806803463 0.597794932 -1.96255789452 TCL: Center of mass = 29.8102153265 0.597638180573 -1.96259195992 TCL: Center of mass = 29.81362257 0.597487711758 -1.96262135504 TCL: Center of mass = 29.8170275737 0.597338114999 -1.96265386453 TCL: Center of mass = 29.8204304269 0.597190797514 -1.96267290715 TCL: Center of mass = 29.8238250296 0.597030079236 -1.96269150739 TCL: Center of mass = 29.827205239 0.596874114358 -1.96269678824 TCL: Center of mass = 29.830587055 0.596719915429 -1.96270702211 TCL: Center of mass = 29.8339714429 0.5965594895 -1.96270801879 TCL: Center of mass = 29.8373500592 0.596402731683 -1.96271240572 TCL: Center of mass = 29.8407358192 0.59624926096 -1.96271596651 TCL: Center of mass = 29.844116932 0.596103791856 -1.96270744316 TCL: Center of mass = 29.8475050165 0.595949747721 -1.96269684933 TCL: Center of mass = 29.8508811475 0.595808411921 -1.96269086566 TCL: Center of mass = 29.8542664877 0.595666191245 -1.96267729175 TCL: Center of mass = 29.8576531562 0.595531119966 -1.96266898297 TCL: Center of mass = 29.8610415724 0.59539704114 -1.96264661294 TCL: Center of mass = 29.8644222885 0.595270711891 -1.9626191259 TCL: Center of mass = 29.8678036373 0.595140043943 -1.96258997147 TCL: Center of mass = 29.871192239 0.595002435249 -1.9625623035 TCL: Center of mass = 29.8745846574 0.594859596862 -1.96252495401 TIMING: 10400 CPU: 881.173, 0.0862769/step Wall: 1077.86, 0.10581/step, 0.282159 hours remaining, 22078 kB of memory in use. ENERGY: 10400 418.0723 698.9349 420.7356 48.0658 -2798.7939 -213.0045 0.0000 0.0000 1160.9327 -265.0571 316.3866 -255.8486 -256.3887 317.4733 1076.6317 1129.5491 64000.0000 790.7728 793.4536 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 = 29.8779740495 0.594713937946 -1.96249400595 TCL: Center of mass = 29.8813707038 0.594575829878 -1.96246109919 TCL: Center of mass = 29.8847572881 0.594421523884 -1.96242220772 TCL: Center of mass = 29.8881443104 0.594270709478 -1.96238502495 TCL: Center of mass = 29.8915322963 0.594127309225 -1.96233896792 TCL: Center of mass = 29.8949087623 0.593980273734 -1.96229457286 TCL: Center of mass = 29.8982844058 0.593830908275 -1.96224103981 TCL: Center of mass = 29.9016539077 0.59368470922 -1.9621939593 TCL: Center of mass = 29.9050184763 0.593538135109 -1.96215033993 TCL: Center of mass = 29.9083811594 0.593392875437 -1.96209924983 TCL: Center of mass = 29.9117490867 0.593258584437 -1.9620561327 TCL: Center of mass = 29.9151138914 0.593120391481 -1.96201202453 TCL: Center of mass = 29.9184723339 0.592983601899 -1.96197523964 TCL: Center of mass = 29.921833972 0.592845938048 -1.9619356735 TCL: Center of mass = 29.9251938561 0.592709433338 -1.96188707624 TCL: Center of mass = 29.9285518893 0.592565048184 -1.96184283482 TCL: Center of mass = 29.9319056402 0.592417371811 -1.96180714176 TCL: Center of mass = 29.9352601101 0.592258309907 -1.96176095916 TCL: Center of mass = 29.9386142725 0.592099345326 -1.96172746214 TCL: Center of mass = 29.941965563 0.591938280971 -1.96169673824 TCL: Center of mass = 29.9453100561 0.59177765819 -1.96166137472 TCL: Center of mass = 29.9486493818 0.591609342838 -1.96162968246 TCL: Center of mass = 29.9519802964 0.59144911186 -1.96159202094 TCL: Center of mass = 29.9553101252 0.591285426122 -1.96155719863 TCL: Center of mass = 29.9586388916 0.591111115942 -1.96151670751 TCL: Center of mass = 29.9619685141 0.590937547575 -1.96147781725 TCL: Center of mass = 29.9652965753 0.59075446585 -1.9614279204 TCL: Center of mass = 29.968611964 0.59057210012 -1.96136811893 TCL: Center of mass = 29.9719370581 0.590384313601 -1.96131943351 TCL: Center of mass = 29.9752655875 0.590199914063 -1.9612663897 TCL: Center of mass = 29.9785915166 0.590013654609 -1.96120405504 TCL: Center of mass = 29.981900754 0.589837848693 -1.96115170959 TCL: Center of mass = 29.9852122406 0.589675208948 -1.96111098843 TCL: Center of mass = 29.988529109 0.58951273141 -1.96107566817 TCL: Center of mass = 29.9918367126 0.589344122117 -1.96104844791 TCL: Center of mass = 29.995148976 0.589156666116 -1.96102047031 TCL: Center of mass = 29.9984716274 0.588967548518 -1.96099179858 TCL: Center of mass = 30.0017970705 0.588774641587 -1.96095279021 TCL: Center of mass = 30.0051182848 0.588592449021 -1.96092034555 TCL: Center of mass = 30.008447336 0.588420044279 -1.96088264375 TCL: Center of mass = 30.011779388 0.588247051622 -1.96084484551 TCL: Center of mass = 30.0151103019 0.58807347008 -1.96081424177 TCL: Center of mass = 30.018425758 0.587896771377 -1.9607893895 TCL: Center of mass = 30.0217419023 0.587725560668 -1.96076159686 TCL: Center of mass = 30.0250644209 0.587543948192 -1.96073321981 TCL: Center of mass = 30.0283890055 0.58737780039 -1.96071671297 TCL: Center of mass = 30.0317178815 0.587201609203 -1.96069017753 TCL: Center of mass = 30.0350388773 0.58702787826 -1.96065406742 TCL: Center of mass = 30.0383647216 0.586854392671 -1.96061543251 TCL: Center of mass = 30.0416831544 0.586672370041 -1.96058241769 TCL: Center of mass = 30.0449937164 0.586485545027 -1.96055635427 TCL: Center of mass = 30.0483031716 0.586302613489 -1.96053448143 TCL: Center of mass = 30.0516174088 0.586137629407 -1.96050570138 TCL: Center of mass = 30.0549351572 0.585968106471 -1.96048265751 TCL: Center of mass = 30.0582580918 0.58578644252 -1.96046278313 TCL: Center of mass = 30.0615932922 0.585612203694 -1.96043888726 TCL: Center of mass = 30.0649262833 0.585439600024 -1.96041558241 TCL: Center of mass = 30.0682544457 0.585262707035 -1.96039950666 TCL: Center of mass = 30.0715861868 0.585079682306 -1.96039240825 TCL: Center of mass = 30.0749154613 0.584894341283 -1.96040444163 TCL: Center of mass = 30.0782405956 0.584712673872 -1.9604160864 TCL: Center of mass = 30.0815713789 0.584538375304 -1.96041985437 TCL: Center of mass = 30.0849038913 0.584363067497 -1.96042299452 TCL: Center of mass = 30.0882284699 0.584190571666 -1.96043831275 TCL: Center of mass = 30.0915626253 0.584013961726 -1.96045604627 TCL: Center of mass = 30.0949077797 0.583837984979 -1.96047601607 TCL: Center of mass = 30.0982462171 0.58366952557 -1.96048656076 TCL: Center of mass = 30.1015676755 0.583499941771 -1.9605137253 TCL: Center of mass = 30.1048894014 0.583327312998 -1.96055010655 TCL: Center of mass = 30.1082081974 0.583141828767 -1.9605943413 TCL: Center of mass = 30.1115280497 0.582956787948 -1.96064216358 TCL: Center of mass = 30.1148413394 0.582765722217 -1.96069618889 TCL: Center of mass = 30.1181448105 0.582581012353 -1.96075285219 TCL: Center of mass = 30.1214541205 0.582401266958 -1.96080149513 TCL: Center of mass = 30.1247640534 0.582223017767 -1.96085085428 TCL: Center of mass = 30.1280843767 0.582040058662 -1.9609004249 TCL: Center of mass = 30.1313952638 0.581872607802 -1.96094612771 TCL: Center of mass = 30.1347064071 0.58171274725 -1.96099007843 TCL: Center of mass = 30.1380013689 0.581549922747 -1.96103350093 TCL: Center of mass = 30.1412864765 0.581392231174 -1.96108159034 TCL: Center of mass = 30.1445612352 0.581233628823 -1.96113855234 TCL: Center of mass = 30.1478237731 0.581076711776 -1.96119933351 TCL: Center of mass = 30.1510850909 0.580928127964 -1.96124866612 TCL: Center of mass = 30.1543553984 0.580767717949 -1.9613018556 TCL: Center of mass = 30.1576173826 0.580613891425 -1.96136013065 TCL: Center of mass = 30.1608816536 0.580468330979 -1.96141239372 TCL: Center of mass = 30.164146512 0.580320754289 -1.96146593526 TCL: Center of mass = 30.1674127788 0.58018377938 -1.96151917575 TCL: Center of mass = 30.170678476 0.580047675726 -1.96157448197 TCL: Center of mass = 30.1739430019 0.579917932243 -1.96163340759 TCL: Center of mass = 30.1772132864 0.579777933957 -1.96168131993 TCL: Center of mass = 30.180483796 0.579639909902 -1.96173822722 TCL: Center of mass = 30.1837590767 0.579491873851 -1.96179570108 TCL: Center of mass = 30.1870318029 0.579347246318 -1.96185571341 TCL: Center of mass = 30.1903026906 0.579192656991 -1.96191867519 TCL: Center of mass = 30.1935724612 0.579042400779 -1.9619876556 TCL: Center of mass = 30.1968344698 0.578891176357 -1.96204710902 TCL: Center of mass = 30.2000924837 0.578748271104 -1.9621080214 TCL: Center of mass = 30.2033511051 0.578611451075 -1.96217102855 TCL: Center of mass = 30.206614094 0.578478585851 -1.96223002019 TIMING: 10500 CPU: 889.72, 0.085467/step Wall: 1088.34, 0.104786/step, 0.276518 hours remaining, 22086 kB of memory in use. ENERGY: 10500 419.4582 708.5131 417.9807 45.2893 -2796.7245 -210.4885 0.0000 0.0000 1140.8662 -275.1055 310.9180 -265.8835 -266.6015 319.3499 447.4123 639.2227 64000.0000 592.6951 590.8842 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 = 30.2098671065 0.578355398346 -1.96229903817 TCL: Center of mass = 30.2131146435 0.57823406884 -1.96235932591 TCL: Center of mass = 30.2163663123 0.578103262539 -1.96242345932 TCL: Center of mass = 30.2196352167 0.577972805326 -1.96248867933 TCL: Center of mass = 30.2229154251 0.577837935556 -1.96255374469 TCL: Center of mass = 30.2261949491 0.577708647683 -1.96262528806 TCL: Center of mass = 30.2294787944 0.577584363951 -1.96270766786 TCL: Center of mass = 30.2327596786 0.577464552899 -1.96278730927 TCL: Center of mass = 30.2360459221 0.577350849362 -1.96285845359 TCL: Center of mass = 30.239343545 0.577247127244 -1.96291411458 TCL: Center of mass = 30.2426399782 0.577132927995 -1.96298237886 TCL: Center of mass = 30.245929278 0.57701986888 -1.96306205732 TCL: Center of mass = 30.2492117977 0.576909678096 -1.96314788919 TCL: Center of mass = 30.2524996973 0.576798740881 -1.96324035513 TCL: Center of mass = 30.2557811038 0.57668995556 -1.96333199689 TCL: Center of mass = 30.2590536471 0.576584210985 -1.96342893842 TCL: Center of mass = 30.2623131679 0.576485876413 -1.96352986548 TCL: Center of mass = 30.265587024 0.576394764329 -1.96362180106 TCL: Center of mass = 30.2688667713 0.576303241604 -1.96372114865 TCL: Center of mass = 30.2721385151 0.576225648271 -1.96382736709 TCL: Center of mass = 30.2754118011 0.5761540973 -1.96392900086 TCL: Center of mass = 30.2786659149 0.576074459102 -1.96403430083 TCL: Center of mass = 30.2819246268 0.576007047743 -1.96414218963 TCL: Center of mass = 30.2851911253 0.575947024383 -1.96425672709 TCL: Center of mass = 30.2884520964 0.57588534449 -1.96435651241 TCL: Center of mass = 30.2917137237 0.575813700829 -1.96446434918 TCL: Center of mass = 30.2949744467 0.575736975539 -1.96458276008 TCL: Center of mass = 30.2982377023 0.57565323255 -1.96469819798 TCL: Center of mass = 30.3014974225 0.57556329357 -1.96480483519 TCL: Center of mass = 30.3047649264 0.575481189152 -1.96490320105 TCL: Center of mass = 30.3080378297 0.575396826476 -1.96500276575 TCL: Center of mass = 30.3113204046 0.575294865905 -1.9650935467 TCL: Center of mass = 30.314608469 0.575201343056 -1.96518423317 TCL: Center of mass = 30.3178938278 0.575110519386 -1.9652769969 TCL: Center of mass = 30.3211894075 0.575014774808 -1.96537609945 TCL: Center of mass = 30.3244837094 0.574913753192 -1.96546416777 TCL: Center of mass = 30.327778311 0.574824041811 -1.96555578057 TCL: Center of mass = 30.3310789128 0.574730474227 -1.9656482138 TCL: Center of mass = 30.334380542 0.574635787624 -1.96574667655 TCL: Center of mass = 30.3376783954 0.57452877921 -1.96584646823 TCL: Center of mass = 30.3409826457 0.574421452079 -1.96594842881 TCL: Center of mass = 30.3442867823 0.574307043376 -1.96606353638 TCL: Center of mass = 30.3476015791 0.574195870038 -1.9661848649 TCL: Center of mass = 30.3509099101 0.574086276518 -1.96630588138 TCL: Center of mass = 30.3542205591 0.57397176152 -1.96642400865 TCL: Center of mass = 30.3575430442 0.573850384038 -1.9665324592 TCL: Center of mass = 30.3608704389 0.573739811591 -1.96664832016 TCL: Center of mass = 30.3641889547 0.573639961141 -1.96676617783 TCL: Center of mass = 30.3675096524 0.573537962919 -1.96689456862 TCL: Center of mass = 30.3708261434 0.573435626015 -1.96702460384 TCL: Center of mass = 30.374130609 0.573326541465 -1.9671593322 TCL: Center of mass = 30.3774261939 0.573221705562 -1.96729808739 TCL: Center of mass = 30.3807179338 0.573114455796 -1.9674236865 TCL: Center of mass = 30.3840152664 0.572997945899 -1.96754810518 TCL: Center of mass = 30.3873052187 0.572860959839 -1.96768057112 TCL: Center of mass = 30.3905859213 0.572726259117 -1.96781290439 TCL: Center of mass = 30.3938728549 0.572593524674 -1.96794749713 TCL: Center of mass = 30.3971578574 0.572475279619 -1.96809213997 TCL: Center of mass = 30.4004334492 0.572359184683 -1.96823886229 TCL: Center of mass = 30.4037173264 0.572241923091 -1.96838017252 TCL: Center of mass = 30.4069982729 0.572122380043 -1.96852533011 TCL: Center of mass = 30.4102869593 0.571989761767 -1.96866628354 TCL: Center of mass = 30.4135781248 0.571857070809 -1.96882305859 TCL: Center of mass = 30.4168632333 0.571731664762 -1.96897035696 TCL: Center of mass = 30.4201490554 0.571605466824 -1.96911438758 TCL: Center of mass = 30.4234414103 0.571481386218 -1.96926927426 TCL: Center of mass = 30.4267246943 0.571362123393 -1.96941702568 TCL: Center of mass = 30.4300109399 0.571250982632 -1.96956655714 TCL: Center of mass = 30.4332972044 0.571138436635 -1.96970853764 TCL: Center of mass = 30.4365929723 0.571014762854 -1.96985596553 TCL: Center of mass = 30.4398857923 0.570888748577 -1.969995623 TCL: Center of mass = 30.4431819602 0.570757052151 -1.97013057824 TCL: Center of mass = 30.4464873742 0.570633764671 -1.97027919481 TCL: Center of mass = 30.4497857834 0.570495874187 -1.97042495781 TCL: Center of mass = 30.4530862823 0.570354216736 -1.97057432521 TCL: Center of mass = 30.4563980887 0.570203782241 -1.97072570468 TCL: Center of mass = 30.4597200397 0.570050908974 -1.97087314125 TCL: Center of mass = 30.4630423028 0.569895357827 -1.97102087559 TCL: Center of mass = 30.4663606894 0.569734295633 -1.97116591813 TCL: Center of mass = 30.4696804499 0.569579775798 -1.97131210051 TCL: Center of mass = 30.4729959321 0.569431330623 -1.97147159319 TCL: Center of mass = 30.4763105418 0.569289484455 -1.97162445858 TCL: Center of mass = 30.4796258467 0.569146080775 -1.97177492418 TCL: Center of mass = 30.4829419666 0.569011842826 -1.97192802912 TCL: Center of mass = 30.4862632645 0.568873742253 -1.97208162727 TCL: Center of mass = 30.4895834297 0.568736890766 -1.97222149371 TCL: Center of mass = 30.4929213925 0.568592134775 -1.97237086289 TCL: Center of mass = 30.4962574721 0.568450207096 -1.97251719372 TCL: Center of mass = 30.4995944489 0.568312534317 -1.97267440297 TCL: Center of mass = 30.5029319484 0.568173327299 -1.97283592058 TCL: Center of mass = 30.5062640812 0.568031319319 -1.9729978866 TCL: Center of mass = 30.5095960988 0.567896712903 -1.9731640258 TCL: Center of mass = 30.5129325498 0.56777011745 -1.97331983461 TCL: Center of mass = 30.5162675366 0.567650718613 -1.97347259782 TCL: Center of mass = 30.5195974077 0.567522384001 -1.97362225939 TCL: Center of mass = 30.5229232011 0.567390191835 -1.97377422223 TCL: Center of mass = 30.526234236 0.567253754248 -1.97393268979 TCL: Center of mass = 30.5295473575 0.567107926583 -1.97410553051 TCL: Center of mass = 30.5328705845 0.566963477594 -1.97429501577 TCL: Center of mass = 30.5362032148 0.566821459328 -1.97449214342 TIMING: 10600 CPU: 898.417, 0.0869768/step Wall: 1134.15, 0.458096/step, 1.19614 hours remaining, 22092 kB of memory in use. ENERGY: 10600 397.3705 687.2207 423.5016 42.1133 -2783.7051 -205.9226 0.0000 0.0000 1175.1473 -264.2744 320.2605 -255.0316 -255.7374 314.8290 488.8232 723.1653 64000.0000 668.8677 661.8600 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 = 30.539527859 0.566684192751 -1.97468974662 TCL: Center of mass = 30.5428475376 0.566544716056 -1.97488407107 TCL: Center of mass = 30.5461629607 0.56640220153 -1.97509022161 TCL: Center of mass = 30.5494804679 0.566256627515 -1.97528736624 TCL: Center of mass = 30.5527723075 0.566123884705 -1.97549081008 TCL: Center of mass = 30.5560502812 0.56599720022 -1.97569373276 TCL: Center of mass = 30.5593212071 0.565889336726 -1.97588808432 TCL: Center of mass = 30.5625943522 0.565780627712 -1.97606325355 TCL: Center of mass = 30.565872354 0.565676188951 -1.97624532042 TCL: Center of mass = 30.5691563069 0.565566092786 -1.97643107572 TCL: Center of mass = 30.5724310128 0.565447997897 -1.97661720321 TCL: Center of mass = 30.5757023973 0.565310703124 -1.97679769826 TCL: Center of mass = 30.5789874053 0.565162907296 -1.9769704869 TCL: Center of mass = 30.5822811311 0.565011365796 -1.97714859252 TCL: Center of mass = 30.5855779123 0.564866712947 -1.97733358278 TCL: Center of mass = 30.5888706853 0.564715945382 -1.97751760483 TCL: Center of mass = 30.5921580503 0.564560585995 -1.97769413472 TCL: Center of mass = 30.595448684 0.564415559789 -1.97787126335 TCL: Center of mass = 30.5987387 0.564278353237 -1.97806038946 TCL: Center of mass = 30.6020355524 0.564135570758 -1.97826131372 TCL: Center of mass = 30.6053281416 0.563972432922 -1.97845097421 TCL: Center of mass = 30.608618252 0.563798126271 -1.97864134932 TCL: Center of mass = 30.6119267669 0.563619713707 -1.97883097586 TCL: Center of mass = 30.6152241788 0.563436417343 -1.97901358535 TCL: Center of mass = 30.6185145248 0.563260263557 -1.97919728766 TCL: Center of mass = 30.6218140446 0.563080376759 -1.97938615968 TCL: Center of mass = 30.6250956706 0.562902219964 -1.97956554893 TCL: Center of mass = 30.6283740941 0.562723900056 -1.97974541697 TCL: Center of mass = 30.63164647 0.562564094419 -1.97991754728 TCL: Center of mass = 30.6349210396 0.562387976937 -1.98009585588 TCL: Center of mass = 30.6381886917 0.562212144491 -1.9802711393 TCL: Center of mass = 30.6414620706 0.562025358351 -1.98045587901 TCL: Center of mass = 30.6447422906 0.561837381686 -1.98063232298 TCL: Center of mass = 30.6480156985 0.561644610411 -1.98081250934 TCL: Center of mass = 30.6512887796 0.561457326352 -1.98099439022 TCL: Center of mass = 30.6545553536 0.561264547795 -1.9811772459 TCL: Center of mass = 30.6578373715 0.561074110556 -1.98135388175 TCL: Center of mass = 30.6611310534 0.560867693016 -1.98152247426 TCL: Center of mass = 30.6644187438 0.560656968117 -1.98170074423 TCL: Center of mass = 30.6677113577 0.560451535873 -1.98186948268 TCL: Center of mass = 30.6710041691 0.560241337093 -1.98203999582 TCL: Center of mass = 30.6742988309 0.560030147278 -1.98220307966 TCL: Center of mass = 30.6776019552 0.559827956335 -1.98236013509 TCL: Center of mass = 30.6808975232 0.559624727741 -1.98251962863 TCL: Center of mass = 30.6841973644 0.559432252954 -1.98268218581 TCL: Center of mass = 30.6875009052 0.559234810299 -1.98283883984 TCL: Center of mass = 30.6908038982 0.559038384974 -1.9829958757 TCL: Center of mass = 30.6941002103 0.558843340189 -1.98315327564 TCL: Center of mass = 30.6974016456 0.558650109377 -1.98332771166 TCL: Center of mass = 30.7006947949 0.558447337059 -1.98350353539 TCL: Center of mass = 30.7039822081 0.558254537871 -1.98367659261 TCL: Center of mass = 30.707286856 0.558068691172 -1.98384898914 TCL: Center of mass = 30.7105856509 0.557889691511 -1.98402596875 TCL: Center of mass = 30.7139025034 0.557700419575 -1.98418869156 TCL: Center of mass = 30.7172265448 0.557502831307 -1.98434296136 TCL: Center of mass = 30.7205507514 0.557302787873 -1.98450316414 TCL: Center of mass = 30.7238600784 0.557090954766 -1.98467036924 TCL: Center of mass = 30.7271597324 0.556880299501 -1.9848289937 TCL: Center of mass = 30.7304706499 0.55666380707 -1.98500064743 TCL: Center of mass = 30.7337894923 0.556448357684 -1.98516047078 TCL: Center of mass = 30.7371141494 0.55623027754 -1.98532292348 TCL: Center of mass = 30.7404448445 0.556013711299 -1.98547680438 TCL: Center of mass = 30.7437849361 0.555798649726 -1.98561805624 TCL: Center of mass = 30.7471204493 0.555587172011 -1.98576773508 TCL: Center of mass = 30.7504443518 0.555376334223 -1.9859257824 TCL: Center of mass = 30.7537714506 0.555166933989 -1.98609656158 TCL: Center of mass = 30.7571049178 0.554961432601 -1.98626293376 TCL: Center of mass = 30.7604509444 0.554758238366 -1.98642830717 TCL: Center of mass = 30.7637931778 0.554555841925 -1.9865977415 TCL: Center of mass = 30.7671406924 0.55434519731 -1.9867652745 TCL: Center of mass = 30.7704873427 0.554133742196 -1.98693866621 TCL: Center of mass = 30.7738298101 0.553926509074 -1.98711657394 TCL: Center of mass = 30.777179803 0.553712757458 -1.98729785689 TCL: Center of mass = 30.7805301681 0.553493357228 -1.98746846186 TCL: Center of mass = 30.7838755427 0.553276964977 -1.98764810536 TCL: Center of mass = 30.7872198927 0.553060447 -1.98782571875 TCL: Center of mass = 30.7905677198 0.5528524392 -1.98800699764 TCL: Center of mass = 30.7939148315 0.552643916557 -1.98818596203 TCL: Center of mass = 30.797264701 0.552440072309 -1.98835701385 TCL: Center of mass = 30.8006143432 0.552239778938 -1.98852663872 TCL: Center of mass = 30.8039525248 0.552039013966 -1.9886930793 TCL: Center of mass = 30.8072927751 0.551841170972 -1.98885544955 TCL: Center of mass = 30.8106269078 0.55164427286 -1.98901457991 TCL: Center of mass = 30.8139691901 0.551450042175 -1.98918124842 TCL: Center of mass = 30.8173175023 0.551262073612 -1.98934370454 TCL: Center of mass = 30.820664978 0.551077333721 -1.98951542171 TCL: Center of mass = 30.8240158236 0.550885611759 -1.98968209361 TCL: Center of mass = 30.8273531498 0.550695489966 -1.98983983052 TCL: Center of mass = 30.8306771776 0.550502419576 -1.99000157561 TCL: Center of mass = 30.8340016422 0.550321415784 -1.99017503343 TCL: Center of mass = 30.8373294214 0.550128871307 -1.99035388153 TCL: Center of mass = 30.8406541828 0.549937311908 -1.9905337313 TCL: Center of mass = 30.843968856 0.549739544764 -1.99070522642 TCL: Center of mass = 30.8472793947 0.54954009021 -1.99088566064 TCL: Center of mass = 30.850591845 0.549352331754 -1.99107736936 TCL: Center of mass = 30.8539020308 0.549182175631 -1.99126807703 TCL: Center of mass = 30.857205682 0.548997816504 -1.99145564458 TCL: Center of mass = 30.8604907229 0.548827546513 -1.99164058824 TCL: Center of mass = 30.8637743127 0.548649511078 -1.99182034711 TCL: Center of mass = 30.8670606739 0.548477390522 -1.99200546881 TIMING: 10700 CPU: 907.016, 0.0859869/step Wall: 1109.33, -0.248162/step, -0.641084 hours remaining, 22132 kB of memory in use. ENERGY: 10700 409.5361 684.4951 410.5843 35.3443 -2752.8573 -224.6141 0.0000 0.0000 1165.4545 -272.0570 317.6190 -263.3133 -261.8578 319.2132 571.3904 384.0005 64000.0000 839.2908 841.8938 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 = 30.8703470106 0.548298428221 -1.99218887405 TCL: Center of mass = 30.8736412894 0.548118119326 -1.9923762411 TCL: Center of mass = 30.8769293944 0.547936762089 -1.99257264998 TCL: Center of mass = 30.8802144118 0.547754033759 -1.99275281395 TCL: Center of mass = 30.8835201724 0.547575413146 -1.99292618842 TCL: Center of mass = 30.8868266853 0.547394349261 -1.9931042044 TCL: Center of mass = 30.8901273086 0.547209241575 -1.99327717173 TCL: Center of mass = 30.8934284939 0.547020201223 -1.99344970618 TCL: Center of mass = 30.8967171926 0.546834063635 -1.99362774855 TCL: Center of mass = 30.9000028157 0.546659750087 -1.9937932786 TCL: Center of mass = 30.9032847999 0.546480550424 -1.9939658911 TCL: Center of mass = 30.9065721502 0.546303631895 -1.99413239577 TCL: Center of mass = 30.9098611268 0.546115210686 -1.99430111748 TCL: Center of mass = 30.913147395 0.545934076899 -1.99446990838 TCL: Center of mass = 30.9164223201 0.545747960014 -1.99462408498 TCL: Center of mass = 30.9197017836 0.545574871193 -1.9947697502 TCL: Center of mass = 30.92299018 0.54540140487 -1.99491007034 TCL: Center of mass = 30.9262864009 0.545229568701 -1.99505125906 TCL: Center of mass = 30.9295751817 0.545054176922 -1.99518788998 TCL: Center of mass = 30.9328635439 0.54488744653 -1.99532932305 TCL: Center of mass = 30.9361584921 0.544732158116 -1.99547329774 TCL: Center of mass = 30.9394640783 0.54458141818 -1.99560892139 TCL: Center of mass = 30.9427622419 0.544439012769 -1.99573588779 TCL: Center of mass = 30.946061088 0.544296486401 -1.99587117858 TCL: Center of mass = 30.949380993 0.544155066478 -1.99601099046 TCL: Center of mass = 30.9526940393 0.543997310241 -1.99614854344 TCL: Center of mass = 30.9560149527 0.543841614568 -1.99628165774 TCL: Center of mass = 30.9593411685 0.543684504858 -1.99641573165 TCL: Center of mass = 30.9626868702 0.543540327047 -1.99653923499 TCL: Center of mass = 30.9660321221 0.543388225663 -1.99666296981 TCL: Center of mass = 30.9693771453 0.543218214539 -1.99679440721 TCL: Center of mass = 30.9727233964 0.543042275603 -1.99692706516 TCL: Center of mass = 30.9760616057 0.542874932718 -1.99706877895 TCL: Center of mass = 30.9793952365 0.542714599437 -1.99720652391 TCL: Center of mass = 30.982716345 0.542551686633 -1.99735227816 TCL: Center of mass = 30.9860373463 0.542387237594 -1.99750921679 TCL: Center of mass = 30.9893635437 0.542218942437 -1.997672151 TCL: Center of mass = 30.9926812023 0.542050210197 -1.9978360139 TCL: Center of mass = 30.9960085527 0.541880500147 -1.99801170434 TCL: Center of mass = 30.9993239709 0.541711969451 -1.99818206709 TCL: Center of mass = 31.0026337273 0.541534421069 -1.99835241888 TCL: Center of mass = 31.0059423372 0.541364702212 -1.99851724789 TCL: Center of mass = 31.0092526445 0.54118722809 -1.99868459811 TCL: Center of mass = 31.0125595062 0.541010202885 -1.9988623883 TCL: Center of mass = 31.015863888 0.540844470328 -1.99904320814 TCL: Center of mass = 31.0191729572 0.540682235445 -1.99922380267 TCL: Center of mass = 31.0224872689 0.540528073386 -1.9994055827 TCL: Center of mass = 31.0257967154 0.540375713587 -1.99958806124 TCL: Center of mass = 31.0290977072 0.540227212829 -1.99978080781 TCL: Center of mass = 31.0323980895 0.540082989783 -1.99997151869 TCL: Center of mass = 31.035706657 0.539937322372 -2.00015913916 TCL: Center of mass = 31.0390152304 0.539795906547 -2.00035391531 TCL: Center of mass = 31.0423253954 0.539657418002 -2.00054409818 TCL: Center of mass = 31.0456378844 0.539513310887 -2.00073650949 TCL: Center of mass = 31.0489357071 0.539359499453 -2.00093257547 TCL: Center of mass = 31.0522386818 0.539204410433 -2.00113517933 TCL: Center of mass = 31.0555466291 0.53905247856 -2.00134004806 TCL: Center of mass = 31.0588528031 0.538895648457 -2.0015380573 TCL: Center of mass = 31.062164766 0.538734161324 -2.00173429407 TCL: Center of mass = 31.0654918978 0.538577516347 -2.0019225956 TCL: Center of mass = 31.0688198599 0.538422954245 -2.00211484095 TCL: Center of mass = 31.0721530382 0.538255860646 -2.00230347307 TCL: Center of mass = 31.0754903848 0.538088318595 -2.00249391457 TCL: Center of mass = 31.0788253359 0.537924460599 -2.00269294155 TCL: Center of mass = 31.0821589432 0.537766677388 -2.00290095554 TCL: Center of mass = 31.0855064277 0.537611238723 -2.00310821289 TCL: Center of mass = 31.0888615636 0.537446789217 -2.00331269354 TCL: Center of mass = 31.0922106553 0.53728613903 -2.00352157319 TCL: Center of mass = 31.0955476769 0.537116167996 -2.00373264298 TCL: Center of mass = 31.0988953575 0.536949079512 -2.00394134291 TCL: Center of mass = 31.1022401143 0.536796880612 -2.0041415137 TCL: Center of mass = 31.1055846915 0.536646266517 -2.00434409264 TCL: Center of mass = 31.1089295067 0.536499755407 -2.00454997431 TCL: Center of mass = 31.1122678586 0.536349533807 -2.0047704233 TCL: Center of mass = 31.1156003241 0.536210994029 -2.00499702964 TCL: Center of mass = 31.1189268615 0.536075550456 -2.0052319721 TCL: Center of mass = 31.122256597 0.535941154393 -2.00545757949 TCL: Center of mass = 31.1255863752 0.535800998302 -2.0056699559 TCL: Center of mass = 31.1289125406 0.535665112753 -2.00588135683 TCL: Center of mass = 31.1322318736 0.535535860358 -2.00609153031 TCL: Center of mass = 31.1355472606 0.53538935467 -2.00630877311 TCL: Center of mass = 31.1388606989 0.535248005125 -2.00652720284 TCL: Center of mass = 31.1421635036 0.535105058093 -2.00674530719 TCL: Center of mass = 31.1454750732 0.534943009997 -2.00695109868 TCL: Center of mass = 31.1487826288 0.534775781295 -2.0071550408 TCL: Center of mass = 31.1520811174 0.534617509749 -2.00737669409 TCL: Center of mass = 31.1553837469 0.534462006135 -2.00760230029 TCL: Center of mass = 31.1586889004 0.534304168166 -2.00782168363 TCL: Center of mass = 31.1619978036 0.53414898771 -2.00804082696 TCL: Center of mass = 31.1653081648 0.533989293369 -2.00825744666 TCL: Center of mass = 31.1686192181 0.533836631243 -2.00847395855 TCL: Center of mass = 31.1719171451 0.533686043729 -2.0086909471 TCL: Center of mass = 31.1752234445 0.53354727074 -2.0089071485 TCL: Center of mass = 31.1785174762 0.533410746471 -2.00912957655 TCL: Center of mass = 31.1818146994 0.533271663259 -2.00933915118 TCL: Center of mass = 31.1851181845 0.533129194484 -2.00955523125 TCL: Center of mass = 31.1884153616 0.532978428083 -2.00976534313 TCL: Center of mass = 31.1917262441 0.532817411649 -2.00997252159 TCL: Center of mass = 31.1950304777 0.532644847407 -2.01017855981 TCL: Center of mass = 31.1983288859 0.532486460628 -2.01038730213 TIMING: 10800 CPU: 915.617, 0.0860069/step Wall: 1119.88, 0.105466/step, 0.269525 hours remaining, 22147 kB of memory in use. ENERGY: 10800 410.5958 731.5558 413.8858 46.4026 -2777.3462 -219.3450 0.0000 0.0000 1144.9078 -249.3435 312.0194 -239.9095 -241.2257 319.3577 928.1202 395.2986 64000.0000 762.2384 758.8088 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 = 31.2016263396 0.532338436066 -2.01059845682 TCL: Center of mass = 31.2049310992 0.532185850013 -2.01081030345 TCL: Center of mass = 31.2082346077 0.532034952823 -2.0110128558 TCL: Center of mass = 31.2115373867 0.531875456266 -2.01120630566 TCL: Center of mass = 31.2148404501 0.531720737452 -2.01140415454 TCL: Center of mass = 31.2181551676 0.531561850174 -2.01161545979 TCL: Center of mass = 31.2214605151 0.531406630919 -2.01184018189 TCL: Center of mass = 31.2247651045 0.531250969454 -2.01206824434 TCL: Center of mass = 31.2280760755 0.531102585585 -2.01229128601 TCL: Center of mass = 31.2313788741 0.530964559401 -2.0125162531 TCL: Center of mass = 31.2346921567 0.530814119568 -2.01274207645 TCL: Center of mass = 31.2379961127 0.530674578059 -2.01296554735 TCL: Center of mass = 31.2412943973 0.530525651592 -2.01318641866 TCL: Center of mass = 31.2445990548 0.530370287493 -2.0134090746 TCL: Center of mass = 31.2479053677 0.530226865743 -2.01362168861 TCL: Center of mass = 31.2512196735 0.530084046951 -2.01382926804 TCL: Center of mass = 31.2545455028 0.529932199592 -2.01404136452 TCL: Center of mass = 31.2578605305 0.529788121395 -2.01425214922 TCL: Center of mass = 31.2611818946 0.529638364841 -2.01444472521 TCL: Center of mass = 31.2644954827 0.529496029414 -2.01462912564 TCL: Center of mass = 31.2678050294 0.52935808124 -2.01480919792 TCL: Center of mass = 31.2711255136 0.529217829349 -2.01499212178 TCL: Center of mass = 31.2744403628 0.52907912676 -2.01517206045 TCL: Center of mass = 31.2777545292 0.52895061527 -2.01535380607 TCL: Center of mass = 31.2810626684 0.528834823357 -2.01552975222 TCL: Center of mass = 31.2843533277 0.528715380285 -2.01571072481 TCL: Center of mass = 31.2876333054 0.52859325241 -2.01588692959 TCL: Center of mass = 31.2909240748 0.528469954586 -2.01605906537 TCL: Center of mass = 31.2942108518 0.528349116163 -2.01624055976 TCL: Center of mass = 31.2974998005 0.528228828832 -2.01641453607 TCL: Center of mass = 31.3007832946 0.528105810261 -2.01658271616 TCL: Center of mass = 31.3040692749 0.527973465437 -2.01674884586 TCL: Center of mass = 31.3073532716 0.527829407312 -2.01692152352 TCL: Center of mass = 31.3106392639 0.527691021183 -2.01710223908 TCL: Center of mass = 31.3139313863 0.527550619458 -2.01727404701 TCL: Center of mass = 31.317223253 0.527394070603 -2.01744771878 TCL: Center of mass = 31.3205116223 0.527234417331 -2.01762288611 TCL: Center of mass = 31.3238050418 0.527071069962 -2.01779151173 TCL: Center of mass = 31.327105503 0.526911309061 -2.01794934115 TCL: Center of mass = 31.3304009988 0.526753040417 -2.01811133183 TCL: Center of mass = 31.3336919477 0.526594043318 -2.01826853688 TCL: Center of mass = 31.3369889764 0.526444261563 -2.01842028054 TCL: Center of mass = 31.3402819732 0.526288999518 -2.01857616211 TCL: Center of mass = 31.3435743178 0.526129354703 -2.01871905598 TCL: Center of mass = 31.3468672821 0.525953354812 -2.01887298711 TCL: Center of mass = 31.3501693143 0.525781498266 -2.01901435521 TCL: Center of mass = 31.3534638611 0.525605654836 -2.01915381276 TCL: Center of mass = 31.3567616662 0.525418791775 -2.01928397526 TCL: Center of mass = 31.3600494316 0.525234132502 -2.01942436632 TCL: Center of mass = 31.3633454805 0.525045120545 -2.01957313986 TCL: Center of mass = 31.3666501665 0.524846130355 -2.01973124584 TCL: Center of mass = 31.3699385684 0.524634427889 -2.01989428163 TCL: Center of mass = 31.3732234394 0.524420867281 -2.0200509887 TCL: Center of mass = 31.3765128935 0.524189555272 -2.02021521214 TCL: Center of mass = 31.3798065252 0.52395757316 -2.02038904658 TCL: Center of mass = 31.3831014878 0.523726441699 -2.02056195853 TCL: Center of mass = 31.386394008 0.523492382572 -2.02071990919 TCL: Center of mass = 31.3896819238 0.52325987276 -2.0208744653 TCL: Center of mass = 31.3929757819 0.523029955292 -2.0210300737 TCL: Center of mass = 31.3962786736 0.522788954711 -2.0211764305 TCL: Center of mass = 31.3995864039 0.522567871413 -2.02132133365 TCL: Center of mass = 31.4028911525 0.522348673827 -2.02146260292 TCL: Center of mass = 31.4061991162 0.52212559695 -2.02161445959 TCL: Center of mass = 31.4095113198 0.521897261487 -2.02176653612 TCL: Center of mass = 31.4128182957 0.521668699403 -2.02191143884 TCL: Center of mass = 31.4161214006 0.521438172803 -2.02204756846 TCL: Center of mass = 31.4194195524 0.521204895599 -2.02217557564 TCL: Center of mass = 31.4227163231 0.520958413605 -2.02230692358 TCL: Center of mass = 31.4260061971 0.52072048122 -2.0224381662 TCL: Center of mass = 31.4293082968 0.520483690251 -2.02256708844 TCL: Center of mass = 31.4326189671 0.520247873205 -2.02269923866 TCL: Center of mass = 31.4359269311 0.520007667691 -2.02282531691 TCL: Center of mass = 31.4392297942 0.519763872239 -2.02296686124 TCL: Center of mass = 31.4425226018 0.51952602125 -2.0231045162 TCL: Center of mass = 31.4458077064 0.519291976315 -2.02324119957 TCL: Center of mass = 31.4490882169 0.519060787061 -2.02339199492 TCL: Center of mass = 31.452381789 0.518827956017 -2.02355354208 TCL: Center of mass = 31.4556778158 0.518598233706 -2.02371954853 TCL: Center of mass = 31.4589708804 0.518369803093 -2.02389091541 TCL: Center of mass = 31.4622653983 0.51813554363 -2.02406781707 TCL: Center of mass = 31.465552321 0.517910632957 -2.02424664109 TCL: Center of mass = 31.4688276199 0.517699583123 -2.02441262252 TCL: Center of mass = 31.4720976995 0.517485067303 -2.02456798439 TCL: Center of mass = 31.4753587955 0.517268258365 -2.02471883957 TCL: Center of mass = 31.4786197878 0.517045887992 -2.02488138413 TCL: Center of mass = 31.4818708787 0.516819159236 -2.0250416038 TCL: Center of mass = 31.4851190034 0.516577225337 -2.02521028922 TCL: Center of mass = 31.4883667453 0.516332566051 -2.0253928582 TCL: Center of mass = 31.4916097439 0.51608100159 -2.02558224672 TCL: Center of mass = 31.4948456473 0.515832108704 -2.02576560955 TCL: Center of mass = 31.4980760133 0.515581327282 -2.0259522786 TCL: Center of mass = 31.5013004963 0.515326223496 -2.02613992575 TCL: Center of mass = 31.5045234195 0.515071755179 -2.0263254112 TCL: Center of mass = 31.5077479476 0.51481111874 -2.02650554893 TCL: Center of mass = 31.5109810235 0.514548770645 -2.02667335126 TCL: Center of mass = 31.5142320051 0.514281091292 -2.02684310261 TCL: Center of mass = 31.5174956443 0.514005230908 -2.02701525662 TCL: Center of mass = 31.5207687742 0.513738362882 -2.02719265751 TCL: Center of mass = 31.5240315117 0.513466243854 -2.02736971518 TCL: Center of mass = 31.5272941274 0.513201785111 -2.02754526214 TIMING: 10900 CPU: 924.189, 0.085717/step Wall: 1130.39, 0.105137/step, 0.265762 hours remaining, 22147 kB of memory in use. ENERGY: 10900 420.7035 694.3779 419.6364 38.0385 -2768.4193 -216.8579 0.0000 0.0000 1184.8268 -227.6939 322.8984 -218.2354 -219.6128 319.7516 628.4482 303.4069 64000.0000 563.7275 562.9699 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 = 31.5305501316 0.512938937676 -2.02771424577 TCL: Center of mass = 31.5338027532 0.512666205188 -2.02789170384 TCL: Center of mass = 31.5370684564 0.512384227154 -2.02808080937 TCL: Center of mass = 31.5403288515 0.512094345875 -2.02827274589 TCL: Center of mass = 31.5435852772 0.511802179917 -2.02847996646 TCL: Center of mass = 31.5468528029 0.511510484365 -2.0286904563 TCL: Center of mass = 31.550124398 0.511226799103 -2.02889631467 TCL: Center of mass = 31.5533933433 0.510933969819 -2.02910562018 TCL: Center of mass = 31.5566602557 0.510632400849 -2.02931403886 TCL: Center of mass = 31.5599126273 0.510337818453 -2.02953245717 TCL: Center of mass = 31.5631712907 0.510035479857 -2.02975413871 TCL: Center of mass = 31.5664327744 0.509730905516 -2.02997828201 TCL: Center of mass = 31.5696985801 0.509415212695 -2.03018137043 TCL: Center of mass = 31.5729645995 0.509094551057 -2.03038204107 TCL: Center of mass = 31.5762247944 0.508772339428 -2.03059348859 TCL: Center of mass = 31.5794974841 0.508445572572 -2.03081103585 TCL: Center of mass = 31.582766739 0.508118603496 -2.03103494205 TCL: Center of mass = 31.586031681 0.507791327359 -2.03126384081 TCL: Center of mass = 31.5893127185 0.507467054623 -2.03149501945 TCL: Center of mass = 31.5925861403 0.507142069669 -2.03173749346 TCL: Center of mass = 31.5958607235 0.506816958887 -2.03198628103 TCL: Center of mass = 31.5991366579 0.506495223936 -2.03224086194 TCL: Center of mass = 31.6024241334 0.506177056714 -2.03248621959 TCL: Center of mass = 31.6057174365 0.505871211635 -2.03274402513 TCL: Center of mass = 31.6090138555 0.505558689019 -2.03299270141 TCL: Center of mass = 31.6123095827 0.505253686685 -2.03323705824 TCL: Center of mass = 31.6155963776 0.504951921823 -2.03347158244 TCL: Center of mass = 31.618885513 0.504654316797 -2.03369734132 TCL: Center of mass = 31.6221606996 0.504371451031 -2.03393381786 TCL: Center of mass = 31.6254412245 0.504078589064 -2.0341603848 TCL: Center of mass = 31.6287180018 0.503792429742 -2.03439179223 TCL: Center of mass = 31.6319970989 0.503509418797 -2.03462913919 TCL: Center of mass = 31.6352924559 0.503223186695 -2.03486617187 TCL: Center of mass = 31.6385805762 0.502929551432 -2.03511637622 TCL: Center of mass = 31.6418714218 0.502633148506 -2.03536018923 TCL: Center of mass = 31.6451553188 0.502337693856 -2.03558992001 TCL: Center of mass = 31.6484388861 0.502052136316 -2.03582582313 TCL: Center of mass = 31.651723484 0.501774889152 -2.03606711407 TCL: Center of mass = 31.6550097392 0.501494060117 -2.03630804723 TCL: Center of mass = 31.6582890721 0.501213635287 -2.0365471859 TCL: Center of mass = 31.6615735245 0.50092677199 -2.03679998458 TCL: Center of mass = 31.6648440623 0.500638865083 -2.03705496975 TCL: Center of mass = 31.6681136008 0.500355444935 -2.03730384719 TCL: Center of mass = 31.6713751253 0.500069541235 -2.03754944443 TCL: Center of mass = 31.6746314788 0.499783708156 -2.03780203562 TCL: Center of mass = 31.6778876183 0.499494782051 -2.03805023702 TCL: Center of mass = 31.6811449976 0.49919519588 -2.03830282599 TCL: Center of mass = 31.6844063162 0.498887780049 -2.03855862423 TCL: Center of mass = 31.687665719 0.498577868044 -2.03880775377 TCL: Center of mass = 31.6909212719 0.498262700067 -2.03905526583 TCL: Center of mass = 31.6941623573 0.497953635153 -2.03930157656 TCL: Center of mass = 31.6973996505 0.497627302549 -2.03954807789 TCL: Center of mass = 31.7006395489 0.497296773781 -2.03980047581 TCL: Center of mass = 31.7038798506 0.496971472832 -2.04005390366 TCL: Center of mass = 31.7071235264 0.496651639191 -2.04030100608 TCL: Center of mass = 31.7103648126 0.496335563743 -2.04055007714 TCL: Center of mass = 31.7135909246 0.496024986855 -2.04080009503 TCL: Center of mass = 31.7168277389 0.495713413946 -2.04105216559 TCL: Center of mass = 31.7200661471 0.495402812339 -2.04131428634 TCL: Center of mass = 31.7232981789 0.495106703958 -2.0415801653 TCL: Center of mass = 31.726525702 0.494805223775 -2.04185808982 TCL: Center of mass = 31.7297504509 0.494502909076 -2.04213732346 TCL: Center of mass = 31.7329700579 0.494205121064 -2.04241107102 TCL: Center of mass = 31.7361809631 0.493908999176 -2.04267528243 TCL: Center of mass = 31.7393911204 0.493614044287 -2.04294990863 TCL: Center of mass = 31.7425864081 0.49329877921 -2.04321848402 TCL: Center of mass = 31.7457774106 0.492982397041 -2.0434779161 TCL: Center of mass = 31.7489645176 0.492658576472 -2.04374199924 TCL: Center of mass = 31.7521555951 0.492348695068 -2.04400400129 TCL: Center of mass = 31.7553526103 0.492035770032 -2.0442587523 TCL: Center of mass = 31.7585501446 0.491728218259 -2.04450417621 TCL: Center of mass = 31.7617374818 0.491420217509 -2.04473517296 TCL: Center of mass = 31.7649263166 0.491109861979 -2.04496842176 TCL: Center of mass = 31.7681151863 0.490809072555 -2.04520975656 TCL: Center of mass = 31.7713194887 0.490502099157 -2.04545701275 TCL: Center of mass = 31.7745277556 0.490195809598 -2.04570751894 TCL: Center of mass = 31.7777382355 0.489896283696 -2.04596396943 TCL: Center of mass = 31.7809400624 0.48958531712 -2.04622132801 TCL: Center of mass = 31.7841382686 0.489271083129 -2.04647906597 TCL: Center of mass = 31.7873329458 0.488954837773 -2.04672747333 TCL: Center of mass = 31.7905252481 0.488635207132 -2.0469886203 TCL: Center of mass = 31.7937359139 0.488307500155 -2.0472499235 TCL: Center of mass = 31.7969533709 0.487993810539 -2.04751842276 TCL: Center of mass = 31.8001667789 0.487684155245 -2.04779427866 TCL: Center of mass = 31.8033757752 0.487371425017 -2.04807246779 TCL: Center of mass = 31.8065824836 0.487064746022 -2.04835816747 TCL: Center of mass = 31.8097998869 0.486754816016 -2.04863624962 TCL: Center of mass = 31.8130207054 0.486440458581 -2.04891589652 TCL: Center of mass = 31.816251931 0.486125842838 -2.04919542585 TCL: Center of mass = 31.8194800774 0.485814699988 -2.0494686195 TCL: Center of mass = 31.8227084399 0.48550847805 -2.04975120358 TCL: Center of mass = 31.8259393103 0.485205824192 -2.05003795324 TCL: Center of mass = 31.8291649234 0.484907328767 -2.05031355044 TCL: Center of mass = 31.8323936933 0.484603403108 -2.05058252608 TCL: Center of mass = 31.8356239658 0.484301525512 -2.0508499949 TCL: Center of mass = 31.8388564827 0.484003735099 -2.05110507049 TCL: Center of mass = 31.8420898205 0.483705261071 -2.05136175556 TCL: Center of mass = 31.8453165343 0.483412437667 -2.05161531673 TCL: Center of mass = 31.848547402 0.48312282706 -2.05187601755 TCL: Center of mass = 31.851754237 0.482827834429 -2.05214107212 TIMING: 11000 CPU: 932.752, 0.085637/step Wall: 1140.9, 0.105039/step, 0.262597 hours remaining, 22147 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 427.4911 698.7802 423.7296 39.7979 -2764.3036 -244.0601 0.0000 0.0000 1182.2658 -236.2991 322.2005 -227.6195 -225.8829 322.1381 662.5651 565.8374 64000.0000 767.5849 775.0013 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 = 31.8549528434 0.482541055384 -2.05240405047 TCL: Center of mass = 31.858146185 0.482250709236 -2.05267066438 TCL: Center of mass = 31.8613199181 0.481963996418 -2.05295114681 TCL: Center of mass = 31.864495952 0.481666551872 -2.05322139374 TCL: Center of mass = 31.8676733124 0.481381575114 -2.05349074744 TCL: Center of mass = 31.8708498921 0.481101272541 -2.05376026524 TCL: Center of mass = 31.874034594 0.480814978158 -2.05402404297 TCL: Center of mass = 31.8772213574 0.480536200754 -2.05428632883 TCL: Center of mass = 31.8804002517 0.480266593324 -2.05453913889 TCL: Center of mass = 31.8835617174 0.480001489274 -2.05479244277 TCL: Center of mass = 31.886727094 0.479731549895 -2.05506043092 TCL: Center of mass = 31.8898888652 0.47946438186 -2.05532246581 TCL: Center of mass = 31.8930353646 0.479201898876 -2.05559220439 TCL: Center of mass = 31.8961720527 0.478933367979 -2.05586196897 TCL: Center of mass = 31.899309445 0.478658652373 -2.05612816769 TCL: Center of mass = 31.9024356531 0.478388907737 -2.05640535504 TCL: Center of mass = 31.9055681068 0.478131419478 -2.05668294391 TCL: Center of mass = 31.9086964841 0.477861863125 -2.05693407325 TCL: Center of mass = 31.91183168 0.477589715349 -2.05717949319 TCL: Center of mass = 31.9149692547 0.477303139061 -2.05742274938 TCL: Center of mass = 31.9181070099 0.477029191784 -2.05766875093 TCL: Center of mass = 31.9212460365 0.476768495288 -2.05792151615 TCL: Center of mass = 31.9243861767 0.476506933774 -2.05816908166 TCL: Center of mass = 31.9275218345 0.476232258425 -2.05841774375 TCL: Center of mass = 31.9306622309 0.475953678587 -2.05866542747 TCL: Center of mass = 31.933797693 0.475670817533 -2.05891655032 TCL: Center of mass = 31.936926642 0.475400744134 -2.05917051348 TCL: Center of mass = 31.9400452798 0.475132022291 -2.05941598981 TCL: Center of mass = 31.9431617626 0.474862723193 -2.05966185767 TCL: Center of mass = 31.9462752917 0.474597946039 -2.05990930296 TCL: Center of mass = 31.9493892691 0.474335293034 -2.06014398517 TCL: Center of mass = 31.95249971 0.474068821396 -2.06037940274 TCL: Center of mass = 31.9556167203 0.473795269083 -2.06059551714 TCL: Center of mass = 31.9587328312 0.473514133841 -2.06081655441 TCL: Center of mass = 31.961851825 0.473226414116 -2.06103404819 TCL: Center of mass = 31.9649727629 0.472938516918 -2.06125230307 TCL: Center of mass = 31.9680912842 0.47265805631 -2.06148332573 TCL: Center of mass = 31.9712012717 0.472362129031 -2.0617158985 TCL: Center of mass = 31.9743208857 0.472063859071 -2.06194983842 TCL: Center of mass = 31.9774356734 0.471766602563 -2.06218990102 TCL: Center of mass = 31.9805488681 0.4714746151 -2.06243374329 TCL: Center of mass = 31.9836631931 0.471188016678 -2.06266706026 TCL: Center of mass = 31.9867900378 0.470901910192 -2.06290189961 TCL: Center of mass = 31.9899192918 0.47062944703 -2.0631390039 TCL: Center of mass = 31.9930466861 0.470363628846 -2.06338407815 TCL: Center of mass = 31.9961880357 0.470112491106 -2.06362919073 TCL: Center of mass = 31.9993276481 0.46985450892 -2.06387612385 TCL: Center of mass = 32.0024675467 0.469590791984 -2.06412165848 TCL: Center of mass = 32.0055988678 0.469322405683 -2.06436101235 TCL: Center of mass = 32.0087424563 0.469052420995 -2.06460864551 TCL: Center of mass = 32.0118834346 0.468787153467 -2.06486662656 TCL: Center of mass = 32.0150202145 0.468527866293 -2.06511906235 TCL: Center of mass = 32.0181572613 0.468251431023 -2.06537303546 TCL: Center of mass = 32.0212889943 0.467978917796 -2.06563338905 TCL: Center of mass = 32.0244216826 0.467702463137 -2.06589232729 TCL: Center of mass = 32.0275529549 0.467418080813 -2.06615517569 TCL: Center of mass = 32.0306769614 0.467134343681 -2.06642130426 TCL: Center of mass = 32.0338006156 0.466841850573 -2.06667997136 TCL: Center of mass = 32.0369262217 0.466551157244 -2.06693207977 TCL: Center of mass = 32.0400578353 0.466249930865 -2.06717776048 TCL: Center of mass = 32.0431881136 0.46594820275 -2.06741401166 TCL: Center of mass = 32.0463289768 0.465654860418 -2.06764265389 TCL: Center of mass = 32.0494638817 0.46536661414 -2.06785890081 TCL: Center of mass = 32.0526012971 0.465076106611 -2.06808666717 TCL: Center of mass = 32.055748203 0.464783531818 -2.06831297323 TCL: Center of mass = 32.0588870686 0.464501665509 -2.06853603894 TCL: Center of mass = 32.0620325605 0.464211774176 -2.06876462256 TCL: Center of mass = 32.0651774991 0.463912939621 -2.06899506239 TCL: Center of mass = 32.068327787 0.463618089511 -2.06923397659 TCL: Center of mass = 32.0714772147 0.463331965429 -2.06946116251 TCL: Center of mass = 32.0746265573 0.463052541784 -2.06970416683 TCL: Center of mass = 32.0777579015 0.462770717406 -2.06994378632 TCL: Center of mass = 32.0808880377 0.462492790049 -2.07017038452 TCL: Center of mass = 32.084023715 0.462208574857 -2.07038135699 TCL: Center of mass = 32.0871679342 0.461937742583 -2.07059759172 TCL: Center of mass = 32.0903060106 0.461668219618 -2.07081312976 TCL: Center of mass = 32.0934379707 0.461398648668 -2.07104859186 TCL: Center of mass = 32.0965603308 0.461125668042 -2.07128009243 TCL: Center of mass = 32.0996955423 0.460849253582 -2.07151176449 TCL: Center of mass = 32.1028160277 0.460557382614 -2.07175029201 TCL: Center of mass = 32.1059422934 0.460264583924 -2.07199030532 TCL: Center of mass = 32.1090889623 0.459970495724 -2.07221784607 TCL: Center of mass = 32.1122332633 0.459680454083 -2.07244320356 TCL: Center of mass = 32.1153808558 0.459392507299 -2.07267815609 TCL: Center of mass = 32.1185196218 0.459104480771 -2.07291716698 TCL: Center of mass = 32.1216516745 0.458824947641 -2.07317661146 TCL: Center of mass = 32.1247821615 0.458551524885 -2.07342396721 TCL: Center of mass = 32.1279144313 0.45827353102 -2.07367010156 TCL: Center of mass = 32.1310497684 0.457996964495 -2.07392069424 TCL: Center of mass = 32.1341935357 0.457724106956 -2.07417315017 TCL: Center of mass = 32.1373416888 0.457447170153 -2.07441774035 TCL: Center of mass = 32.1404908336 0.457178934946 -2.07467627927 TCL: Center of mass = 32.1436465625 0.456913356511 -2.07492520908 TCL: Center of mass = 32.1468089235 0.456642154769 -2.0751559185 TCL: Center of mass = 32.1499810474 0.45637647789 -2.07539624816 TCL: Center of mass = 32.1531463602 0.456118797689 -2.07562714245 TCL: Center of mass = 32.156314596 0.455867416708 -2.07584767561 TCL: Center of mass = 32.1594963448 0.455609256973 -2.07607539935 TCL: Center of mass = 32.1626749778 0.455342522142 -2.0763029673 TCL: Center of mass = 32.1658460219 0.455075926159 -2.07652027378 TIMING: 11100 CPU: 941.356, 0.0860369/step Wall: 1151.46, 0.105609/step, 0.261088 hours remaining, 22147 kB of memory in use. ENERGY: 11100 422.7577 725.4445 433.4505 42.3015 -2830.6129 -192.1792 0.0000 0.0000 1155.4929 -243.3450 314.9041 -234.4129 -233.5008 320.5847 1135.9234 1095.4204 64000.0000 1035.4300 1037.9935 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 = 32.1690052844 0.454809797782 -2.07673654456 TCL: Center of mass = 32.1721774825 0.454551486854 -2.07695371555 TCL: Center of mass = 32.1753474222 0.454296439786 -2.07717017383 TCL: Center of mass = 32.1785174315 0.45403063391 -2.07739568654 TCL: Center of mass = 32.181682946 0.453771372507 -2.07762127775 TCL: Center of mass = 32.1848490742 0.453510508063 -2.07783683827 TCL: Center of mass = 32.1880264561 0.453254648408 -2.07805021721 TCL: Center of mass = 32.1912102898 0.453010520145 -2.07825632388 TCL: Center of mass = 32.1944051419 0.452769230754 -2.07845817873 TCL: Center of mass = 32.197602328 0.452537817017 -2.07865661156 TCL: Center of mass = 32.2008079399 0.45230219612 -2.07884751803 TCL: Center of mass = 32.2040273529 0.452072824866 -2.07905005409 TCL: Center of mass = 32.2072459315 0.45184221681 -2.07926557368 TCL: Center of mass = 32.2104624101 0.451614333406 -2.07947560718 TCL: Center of mass = 32.2136739135 0.451379396765 -2.07969964751 TCL: Center of mass = 32.2168779801 0.451139373902 -2.07993048715 TCL: Center of mass = 32.2200811151 0.450897503575 -2.0801546701 TCL: Center of mass = 32.2232906945 0.450645810718 -2.08040097317 TCL: Center of mass = 32.2264912705 0.450409191099 -2.08065494391 TCL: Center of mass = 32.2296990803 0.450164846189 -2.0809091174 TCL: Center of mass = 32.2329023353 0.449925944861 -2.08115890104 TCL: Center of mass = 32.2361138073 0.449692182361 -2.08140589483 TCL: Center of mass = 32.2393279044 0.449469223521 -2.08165821235 TCL: Center of mass = 32.2425422482 0.449247208733 -2.08190688083 TCL: Center of mass = 32.2457629524 0.449022276661 -2.08214344527 TCL: Center of mass = 32.2489754493 0.448807849527 -2.08236457997 TCL: Center of mass = 32.2521819553 0.448593761084 -2.08256820393 TCL: Center of mass = 32.2553751819 0.448375521076 -2.08277408049 TCL: Center of mass = 32.2585809324 0.448146592882 -2.0829821989 TCL: Center of mass = 32.2617826305 0.447913253353 -2.08318752443 TCL: Center of mass = 32.2649865047 0.447683075883 -2.08339073526 TCL: Center of mass = 32.2681782577 0.447448589456 -2.0835917391 TCL: Center of mass = 32.2713728321 0.447212723996 -2.08378597939 TCL: Center of mass = 32.2745558256 0.446976938007 -2.08397367561 TCL: Center of mass = 32.2777522315 0.446751700681 -2.08416028773 TCL: Center of mass = 32.2809581817 0.446537395211 -2.08434687377 TCL: Center of mass = 32.2841546056 0.446332573754 -2.08452731899 TCL: Center of mass = 32.2873643006 0.44613138606 -2.08470559672 TCL: Center of mass = 32.2905805241 0.445942563531 -2.08487095732 TCL: Center of mass = 32.2938024094 0.44574852738 -2.08505171221 TCL: Center of mass = 32.2970303032 0.445564397456 -2.08522747166 TCL: Center of mass = 32.3002593031 0.445384864827 -2.08540730179 TCL: Center of mass = 32.303492696 0.445207132465 -2.0855951134 TCL: Center of mass = 32.3067246632 0.445028419193 -2.08578463738 TCL: Center of mass = 32.3099570031 0.444843488235 -2.08597960875 TCL: Center of mass = 32.3131842911 0.444653485289 -2.08617057398 TCL: Center of mass = 32.3164072269 0.444466048289 -2.08635987022 TCL: Center of mass = 32.3196214456 0.444274563341 -2.08654377392 TCL: Center of mass = 32.3228327884 0.444084719593 -2.08672789135 TCL: Center of mass = 32.3260380044 0.443908383377 -2.08690866702 TCL: Center of mass = 32.3292407941 0.443734533383 -2.08710197013 TCL: Center of mass = 32.3324437826 0.443545430314 -2.08729496099 TCL: Center of mass = 32.3356412285 0.443364053419 -2.08748606939 TCL: Center of mass = 32.3388382363 0.443176973805 -2.08767971708 TCL: Center of mass = 32.3420341529 0.442979204858 -2.08788040453 TCL: Center of mass = 32.3452244985 0.442785755682 -2.08807757117 TCL: Center of mass = 32.3484246874 0.442583520418 -2.08827621119 TCL: Center of mass = 32.3516347469 0.442382267562 -2.08847417932 TCL: Center of mass = 32.3548485814 0.442180987806 -2.08867855559 TCL: Center of mass = 32.3580816904 0.441979875087 -2.08887231825 TCL: Center of mass = 32.3613163575 0.441773915798 -2.08907388597 TCL: Center of mass = 32.3645384586 0.441564549495 -2.08927654257 TCL: Center of mass = 32.3677509203 0.441352819797 -2.08946333889 TCL: Center of mass = 32.3709696743 0.441142406931 -2.08965130227 TCL: Center of mass = 32.3741876635 0.440940643585 -2.08982365937 TCL: Center of mass = 32.377402383 0.440724873421 -2.08999565232 TCL: Center of mass = 32.3806151319 0.440519802872 -2.09017450212 TCL: Center of mass = 32.3838303203 0.440310125338 -2.09035043489 TCL: Center of mass = 32.3870360459 0.440108594665 -2.09053719697 TCL: Center of mass = 32.3902430584 0.439904673614 -2.09072046349 TCL: Center of mass = 32.393451719 0.43970365854 -2.09089441479 TCL: Center of mass = 32.3966688943 0.439494574216 -2.09105646651 TCL: Center of mass = 32.3998724929 0.439281900872 -2.09122296323 TCL: Center of mass = 32.4030743098 0.439054739891 -2.09139883795 TCL: Center of mass = 32.4062709797 0.438826243095 -2.09157973292 TCL: Center of mass = 32.4094712515 0.438601316676 -2.09174233627 TCL: Center of mass = 32.4126748942 0.438384806173 -2.09190995581 TCL: Center of mass = 32.415878142 0.438169111924 -2.09207474902 TCL: Center of mass = 32.4190893077 0.437941999454 -2.09222956706 TCL: Center of mass = 32.4222991169 0.437700941898 -2.09238446166 TCL: Center of mass = 32.425523016 0.437458040613 -2.09254799973 TCL: Center of mass = 32.4287472486 0.437204881361 -2.09269268026 TCL: Center of mass = 32.4319786169 0.436949807255 -2.09283554617 TCL: Center of mass = 32.4352076674 0.436688374721 -2.09297990915 TCL: Center of mass = 32.4384414051 0.436414006881 -2.0931373166 TCL: Center of mass = 32.4416850249 0.436125332054 -2.09328845264 TCL: Center of mass = 32.4449341891 0.435816766846 -2.09344168063 TCL: Center of mass = 32.44816998 0.435505344224 -2.09359981713 TCL: Center of mass = 32.4514184016 0.435185110364 -2.09375018132 TCL: Center of mass = 32.4546634255 0.43487038815 -2.09389398196 TCL: Center of mass = 32.4579112233 0.434561143715 -2.09404668886 TCL: Center of mass = 32.4611675467 0.434261685668 -2.09420236064 TCL: Center of mass = 32.4644313059 0.433963313517 -2.09437179687 TCL: Center of mass = 32.4676888863 0.433670125412 -2.09452768678 TCL: Center of mass = 32.4709631754 0.433375906928 -2.09467632015 TCL: Center of mass = 32.474253256 0.433080619816 -2.09482395372 TCL: Center of mass = 32.4775460206 0.43277703783 -2.09496371542 TCL: Center of mass = 32.4808356113 0.432482395603 -2.09510593651 TCL: Center of mass = 32.484135044 0.432186909734 -2.09524216837 TCL: Center of mass = 32.4874427492 0.431900498325 -2.09538175798 TIMING: 11200 CPU: 949.899, 0.085427/step Wall: 1161.93, 0.104755/step, 0.256068 hours remaining, 22147 kB of memory in use. ENERGY: 11200 405.0592 701.2508 414.1644 42.5127 -2772.9833 -237.8375 0.0000 0.0000 1198.7713 -249.0624 326.6987 -240.2544 -239.1906 321.4227 1104.8145 926.6636 64000.0000 871.1335 866.2681 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 = 32.4907570298 0.431608840349 -2.09551618255 TCL: Center of mass = 32.4940668456 0.431326411775 -2.09565788513 TCL: Center of mass = 32.497368203 0.431030782391 -2.09578887983 TCL: Center of mass = 32.5006695578 0.430743694037 -2.09591784085 TCL: Center of mass = 32.5039790784 0.430460689079 -2.09605615253 TCL: Center of mass = 32.5072858119 0.430177457811 -2.09619325625 TCL: Center of mass = 32.5105955832 0.429896605608 -2.0963352674 TCL: Center of mass = 32.5138983137 0.429622072824 -2.09647532324 TCL: Center of mass = 32.5171961939 0.429348868568 -2.0966030218 TCL: Center of mass = 32.5204999736 0.429083848134 -2.09673149106 TCL: Center of mass = 32.523821249 0.428811743773 -2.09686300671 TCL: Center of mass = 32.5271375501 0.42854148731 -2.09700061176 TCL: Center of mass = 32.5304569549 0.428269745964 -2.09713871444 TCL: Center of mass = 32.5337759917 0.428005973902 -2.09728621613 TCL: Center of mass = 32.5370899662 0.427728984863 -2.09743028768 TCL: Center of mass = 32.5404068591 0.427440166686 -2.09758973116 TCL: Center of mass = 32.5437311697 0.427146319402 -2.09775194229 TCL: Center of mass = 32.5470569645 0.426853724969 -2.09791136517 TCL: Center of mass = 32.5504032154 0.42657079764 -2.09806690528 TCL: Center of mass = 32.5537595946 0.426286636939 -2.09821263363 TCL: Center of mass = 32.5571128514 0.426001322518 -2.09835604964 TCL: Center of mass = 32.5604709643 0.425715864735 -2.0984992715 TCL: Center of mass = 32.5638174049 0.425430329398 -2.09863804816 TCL: Center of mass = 32.5671676605 0.425146956461 -2.09877236182 TCL: Center of mass = 32.570527615 0.424866933414 -2.09889485717 TCL: Center of mass = 32.5738805576 0.424587118868 -2.09900850335 TCL: Center of mass = 32.5772416899 0.424312979133 -2.09913163477 TCL: Center of mass = 32.580596004 0.424053199218 -2.09924471633 TCL: Center of mass = 32.5839556124 0.423811545335 -2.09935213209 TCL: Center of mass = 32.587313553 0.423568374551 -2.09946522448 TCL: Center of mass = 32.5906731686 0.423330532447 -2.09958466156 TCL: Center of mass = 32.5940413587 0.423105242873 -2.09969850697 TCL: Center of mass = 32.5974064605 0.422892036203 -2.09980538074 TCL: Center of mass = 32.6007672879 0.422662604385 -2.09990542241 TCL: Center of mass = 32.6041372071 0.42242974501 -2.10000080913 TCL: Center of mass = 32.607517002 0.422199891681 -2.10009585848 TCL: Center of mass = 32.6108966404 0.42197118755 -2.10018866483 TCL: Center of mass = 32.6142796342 0.421736792227 -2.10028814572 TCL: Center of mass = 32.6176572544 0.421506155992 -2.10039352145 TCL: Center of mass = 32.6210244464 0.421278597953 -2.10049579451 TCL: Center of mass = 32.6243901903 0.421051402976 -2.10060318958 TCL: Center of mass = 32.6277411492 0.420820603175 -2.10070630617 TCL: Center of mass = 32.6310977133 0.420592906555 -2.10080988195 TCL: Center of mass = 32.6344651384 0.420363448686 -2.10092357699 TCL: Center of mass = 32.6378327827 0.420127877304 -2.10103234534 TCL: Center of mass = 32.6412035643 0.419890476799 -2.10114946916 TCL: Center of mass = 32.6445748456 0.419677361914 -2.10125889941 TCL: Center of mass = 32.6479425458 0.419470610982 -2.10137691779 TCL: Center of mass = 32.6512974107 0.419264334084 -2.10149230901 TCL: Center of mass = 32.6546432804 0.419056650506 -2.10159589391 TCL: Center of mass = 32.657976679 0.418854980939 -2.10169542691 TCL: Center of mass = 32.6613108244 0.418652910116 -2.10179149222 TCL: Center of mass = 32.6646468977 0.418456971734 -2.10189007326 TCL: Center of mass = 32.6679922956 0.418255773295 -2.10198375365 TCL: Center of mass = 32.6713391728 0.418057410626 -2.10207975407 TCL: Center of mass = 32.6746838792 0.417858444191 -2.10217667313 TCL: Center of mass = 32.6780364041 0.417670572089 -2.10227616758 TCL: Center of mass = 32.681381707 0.417481027893 -2.10237455938 TCL: Center of mass = 32.6847324081 0.417292098373 -2.10248155611 TCL: Center of mass = 32.6880755082 0.417104105064 -2.10258837282 TCL: Center of mass = 32.6914099551 0.416930348146 -2.10268609152 TCL: Center of mass = 32.6947307504 0.416766780819 -2.10277288892 TCL: Center of mass = 32.6980551613 0.416604073144 -2.10286318675 TCL: Center of mass = 32.7013838466 0.416441395974 -2.1029467905 TCL: Center of mass = 32.7047194453 0.416285963516 -2.10303276442 TCL: Center of mass = 32.7080538723 0.416112772687 -2.10311433405 TCL: Center of mass = 32.7113897524 0.415939594916 -2.1032002602 TCL: Center of mass = 32.7147186706 0.415768134001 -2.10328374015 TCL: Center of mass = 32.7180505901 0.415603749466 -2.10336446681 TCL: Center of mass = 32.7213884024 0.41543788611 -2.10344963391 TCL: Center of mass = 32.7247232665 0.415263107888 -2.10351760884 TCL: Center of mass = 32.7280674421 0.415097284504 -2.10357905244 TCL: Center of mass = 32.7314269901 0.414935866786 -2.10364088567 TCL: Center of mass = 32.7347900891 0.414766520813 -2.10369536416 TCL: Center of mass = 32.7381438109 0.414593302358 -2.10374715142 TCL: Center of mass = 32.7414977341 0.41441546721 -2.10379451024 TCL: Center of mass = 32.7448513351 0.414238149338 -2.10383985285 TCL: Center of mass = 32.7482044626 0.414058530082 -2.10388299179 TCL: Center of mass = 32.7515590008 0.413871266091 -2.10392170057 TCL: Center of mass = 32.7549057728 0.41368396701 -2.10395354935 TCL: Center of mass = 32.7582458087 0.413491020034 -2.10399951289 TCL: Center of mass = 32.7615864278 0.413296925562 -2.10405267103 TCL: Center of mass = 32.7649102591 0.413091220109 -2.10410064865 TCL: Center of mass = 32.7682481152 0.412880206361 -2.10414755128 TCL: Center of mass = 32.771584604 0.412669664933 -2.10419534447 TCL: Center of mass = 32.7749212679 0.412460713369 -2.10424596723 TCL: Center of mass = 32.7782413416 0.412240913367 -2.1042988114 TCL: Center of mass = 32.7815683456 0.412026775773 -2.10435480606 TCL: Center of mass = 32.7849011505 0.411815081339 -2.1044092792 TCL: Center of mass = 32.7882334027 0.411614936658 -2.1044617482 TCL: Center of mass = 32.7915605964 0.411421155219 -2.10452195652 TCL: Center of mass = 32.7948876066 0.411216167318 -2.10459979361 TCL: Center of mass = 32.7982201561 0.411017419296 -2.10467882513 TCL: Center of mass = 32.8015494534 0.410832966048 -2.10476898216 TCL: Center of mass = 32.8048771759 0.410643775377 -2.10485842908 TCL: Center of mass = 32.8082080988 0.410457732545 -2.10493259336 TCL: Center of mass = 32.811525558 0.410271164026 -2.10500944032 TCL: Center of mass = 32.8148423726 0.410088391202 -2.1050872651 TCL: Center of mass = 32.8181628787 0.409906801891 -2.10514992457 TCL: Center of mass = 32.8214772818 0.409726570528 -2.10520989636 TIMING: 11300 CPU: 958.514, 0.0861569/step Wall: 1172.5, 0.105691/step, 0.25542 hours remaining, 22147 kB of memory in use. ENERGY: 11300 391.0810 692.2142 418.6513 36.5809 -2779.5975 -180.7703 0.0000 0.0000 1161.0846 -260.7559 316.4280 -251.4983 -252.4223 322.9389 1779.0257 1406.1918 64000.0000 877.9802 880.7417 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 = 32.8247933995 0.409554825808 -2.10527574186 TCL: Center of mass = 32.8281053354 0.409379476724 -2.10534715464 TCL: Center of mass = 32.8314187512 0.409205545565 -2.10541150404 TCL: Center of mass = 32.8347407469 0.409013400084 -2.1054807828 TCL: Center of mass = 32.8380550209 0.408826155079 -2.10555453417 TCL: Center of mass = 32.8413732776 0.408643472752 -2.10562602723 TCL: Center of mass = 32.8446907564 0.40846412623 -2.10570736543 TCL: Center of mass = 32.8480122746 0.408280843574 -2.10579805284 TCL: Center of mass = 32.8513344121 0.408091566329 -2.10588335025 TCL: Center of mass = 32.8546590575 0.407897470141 -2.10597107465 TCL: Center of mass = 32.857986905 0.407702632372 -2.10606706214 TCL: Center of mass = 32.8613145873 0.407515437961 -2.10615913108 TCL: Center of mass = 32.8646407046 0.407325336679 -2.10623257443 TCL: Center of mass = 32.8679753536 0.407145437687 -2.1062993053 TCL: Center of mass = 32.8712999319 0.406967503086 -2.10638577628 TCL: Center of mass = 32.8746330462 0.406790073779 -2.10647205068 TCL: Center of mass = 32.8779814474 0.40661541545 -2.10654689612 TCL: Center of mass = 32.8813356306 0.406450411351 -2.10662491274 TCL: Center of mass = 32.8846970798 0.406301491466 -2.1067002718 TCL: Center of mass = 32.8880598165 0.406137281481 -2.1067809208 TCL: Center of mass = 32.8914204383 0.405965015736 -2.10686702852 TCL: Center of mass = 32.8947791673 0.405789548542 -2.10694895136 TCL: Center of mass = 32.8981346074 0.405618702438 -2.10702406588 TCL: Center of mass = 32.9014924316 0.405454790381 -2.10709775818 TCL: Center of mass = 32.9048556963 0.405289775783 -2.10717657637 TCL: Center of mass = 32.9082117697 0.405115451059 -2.10725071618 TCL: Center of mass = 32.9115677967 0.404934141043 -2.10731497343 TCL: Center of mass = 32.9149169734 0.404757452782 -2.10737833404 TCL: Center of mass = 32.9182826892 0.404574146214 -2.10743981728 TCL: Center of mass = 32.9216482827 0.404396369861 -2.10750210538 TCL: Center of mass = 32.925015761 0.40423368314 -2.10757923096 TCL: Center of mass = 32.9283738173 0.404068080527 -2.1076690624 TCL: Center of mass = 32.9317136319 0.40390647098 -2.10776696439 TCL: Center of mass = 32.9350487723 0.403750958383 -2.10787250659 TCL: Center of mass = 32.9383687625 0.403597999514 -2.10799120501 TCL: Center of mass = 32.9416803732 0.403441343429 -2.10811912121 TCL: Center of mass = 32.9449889159 0.403284810924 -2.10824883333 TCL: Center of mass = 32.948290494 0.403128605092 -2.10838051724 TCL: Center of mass = 32.9515857136 0.402970391114 -2.1085049213 TCL: Center of mass = 32.9548756235 0.402812405918 -2.10862960984 TCL: Center of mass = 32.9581656171 0.402645974091 -2.10876020756 TCL: Center of mass = 32.9614672757 0.402464085998 -2.10889436256 TCL: Center of mass = 32.9647612802 0.402274130136 -2.10902691506 TCL: Center of mass = 32.9680499444 0.402093158933 -2.10916281771 TCL: Center of mass = 32.971338216 0.401911141459 -2.10929853587 TCL: Center of mass = 32.9746400761 0.401728717178 -2.10944031234 TCL: Center of mass = 32.9779358027 0.401550380579 -2.10958085478 TCL: Center of mass = 32.981241749 0.401377754259 -2.10972523019 TCL: Center of mass = 32.9845459038 0.401200194151 -2.10986796945 TCL: Center of mass = 32.98784236 0.401033333921 -2.11001754188 TCL: Center of mass = 32.9911444412 0.400867832058 -2.11016946015 TCL: Center of mass = 32.9944465416 0.400713496246 -2.11032316314 TCL: Center of mass = 32.9977529949 0.400550602703 -2.11047603497 TCL: Center of mass = 33.0010534189 0.400387093365 -2.11062907644 TCL: Center of mass = 33.0043522692 0.400222088806 -2.11077791739 TCL: Center of mass = 33.0076569897 0.40004903822 -2.11092283091 TCL: Center of mass = 33.0109552072 0.399869546581 -2.1110619187 TCL: Center of mass = 33.0142483757 0.399687441823 -2.11120274347 TCL: Center of mass = 33.0175303724 0.399495134136 -2.11133093638 TCL: Center of mass = 33.0208175348 0.399298954993 -2.1114539282 TCL: Center of mass = 33.0240964101 0.399101367063 -2.11157092571 TCL: Center of mass = 33.0273750355 0.39889501058 -2.11168307215 TCL: Center of mass = 33.0306604746 0.398684772401 -2.11178797582 TCL: Center of mass = 33.033958501 0.398480865786 -2.11188606202 TCL: Center of mass = 33.037249166 0.398278872165 -2.11197757709 TCL: Center of mass = 33.040533679 0.398082589245 -2.11206849603 TCL: Center of mass = 33.0438225592 0.39788445766 -2.1121614552 TCL: Center of mass = 33.0471108894 0.397681927276 -2.11226493344 TCL: Center of mass = 33.0504050261 0.39748859912 -2.11237898354 TCL: Center of mass = 33.0536947721 0.39727937231 -2.11248902059 TCL: Center of mass = 33.0569874577 0.397064781827 -2.1126036221 TCL: Center of mass = 33.0602724016 0.396857544519 -2.11272639599 TCL: Center of mass = 33.0635567322 0.396632966935 -2.11284843595 TCL: Center of mass = 33.066838795 0.396407140228 -2.11297251339 TCL: Center of mass = 33.0701128096 0.396177935721 -2.11309248351 TCL: Center of mass = 33.0733860547 0.395946627225 -2.11321058496 TCL: Center of mass = 33.0766591207 0.395710650881 -2.11333454337 TCL: Center of mass = 33.079932633 0.395489074242 -2.11345956876 TCL: Center of mass = 33.0832101387 0.39524959788 -2.11357857862 TCL: Center of mass = 33.0864859272 0.395020755283 -2.11370184914 TCL: Center of mass = 33.0897627871 0.394802147783 -2.11382185253 TCL: Center of mass = 33.0930339004 0.39456895746 -2.11393579269 TCL: Center of mass = 33.0963129078 0.394325549714 -2.11405833213 TCL: Center of mass = 33.0995903972 0.394090073234 -2.1141859423 TCL: Center of mass = 33.1028786745 0.393857154057 -2.11430324263 TCL: Center of mass = 33.1061652728 0.393633023159 -2.11441737381 TCL: Center of mass = 33.1094565578 0.393414364271 -2.11453470617 TCL: Center of mass = 33.1127495999 0.393190290561 -2.11464849363 TCL: Center of mass = 33.1160342652 0.392967116503 -2.11474918312 TCL: Center of mass = 33.1193119658 0.392743197682 -2.11486767755 TCL: Center of mass = 33.1225851896 0.392527983602 -2.1149974883 TCL: Center of mass = 33.125855047 0.392319816145 -2.11512169264 TCL: Center of mass = 33.1291313806 0.392122062162 -2.11524120078 TCL: Center of mass = 33.1324020863 0.391916376701 -2.11535971956 TCL: Center of mass = 33.1356721508 0.391710089141 -2.11547402902 TCL: Center of mass = 33.1389200028 0.391509472412 -2.1155841519 TCL: Center of mass = 33.1421800514 0.391303159619 -2.11569690596 TCL: Center of mass = 33.1454369541 0.391096290318 -2.11581719585 TCL: Center of mass = 33.1487123308 0.39089908979 -2.11593060783 TCL: Center of mass = 33.1519926251 0.390700537548 -2.11604608628 TIMING: 11400 CPU: 967.06, 0.085457/step Wall: 1182.98, 0.10479/step, 0.250332 hours remaining, 22147 kB of memory in use. ENERGY: 11400 391.8892 671.5997 409.5178 40.2798 -2744.6937 -238.9771 0.0000 0.0000 1191.4788 -278.9055 324.7113 -270.2120 -268.8343 317.9761 744.7215 708.3445 64000.0000 903.7657 903.3122 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 = 33.1552646549 0.390507049502 -2.11615143239 TCL: Center of mass = 33.1585372845 0.390323031829 -2.11626067524 TCL: Center of mass = 33.1618102788 0.390146527729 -2.11637713621 TCL: Center of mass = 33.165083304 0.389975808886 -2.11650544944 TCL: Center of mass = 33.1683629785 0.389792847636 -2.11663454346 TCL: Center of mass = 33.1716599032 0.389612777431 -2.11676030763 TCL: Center of mass = 33.174957398 0.389423527523 -2.11688383598 TCL: Center of mass = 33.1782627387 0.389227144554 -2.1170112354 TCL: Center of mass = 33.1815585199 0.389031325189 -2.11713665844 TCL: Center of mass = 33.1848404941 0.388837171147 -2.11727100467 TCL: Center of mass = 33.1881260302 0.388620007232 -2.11740141956 TCL: Center of mass = 33.1914251908 0.388385815827 -2.11753631452 TCL: Center of mass = 33.1947177363 0.388141761287 -2.11767554092 TCL: Center of mass = 33.1980071064 0.387887282309 -2.11781315395 TCL: Center of mass = 33.2012960312 0.387637133821 -2.11794379279 TCL: Center of mass = 33.2045888027 0.387383536169 -2.11809123477 TCL: Center of mass = 33.2078845295 0.387151034189 -2.11823918051 TCL: Center of mass = 33.2111815853 0.386916203744 -2.11837999253 TCL: Center of mass = 33.2144799789 0.386699415114 -2.1185269091 TCL: Center of mass = 33.217779109 0.386485906639 -2.11866167436 TCL: Center of mass = 33.2210756104 0.386287393896 -2.11880674899 TCL: Center of mass = 33.2243795995 0.386101831306 -2.11895374409 TCL: Center of mass = 33.2276794635 0.385912194656 -2.11907709198 TCL: Center of mass = 33.2309788519 0.385722584923 -2.11919697122 TCL: Center of mass = 33.2342720877 0.38553784729 -2.11931283811 TCL: Center of mass = 33.23756966 0.385352706466 -2.1194170701 TCL: Center of mass = 33.2408655462 0.385161282018 -2.11950921831 TCL: Center of mass = 33.2441713527 0.384974626328 -2.11959547988 TCL: Center of mass = 33.2474676204 0.384781257295 -2.11967606215 TCL: Center of mass = 33.2507729692 0.384592677256 -2.11976022788 TCL: Center of mass = 33.2540815136 0.384404166966 -2.11984070223 TCL: Center of mass = 33.2573912536 0.384210036178 -2.11991885373 TCL: Center of mass = 33.2607069997 0.384007363994 -2.11999998499 TCL: Center of mass = 33.2640217502 0.383796699724 -2.12007305195 TCL: Center of mass = 33.2673335782 0.383587817357 -2.12015106861 TCL: Center of mass = 33.2706418841 0.38336882095 -2.12022927267 TCL: Center of mass = 33.2739487693 0.383156170122 -2.12031010104 TCL: Center of mass = 33.2772473315 0.382940844761 -2.12038089518 TCL: Center of mass = 33.2805526627 0.382724224489 -2.12044905452 TCL: Center of mass = 33.2838532481 0.382503152126 -2.12051474702 TCL: Center of mass = 33.2871626282 0.38228448897 -2.12059147514 TCL: Center of mass = 33.2904695949 0.382081449244 -2.12067026702 TCL: Center of mass = 33.2937766145 0.381876701673 -2.12075648211 TCL: Center of mass = 33.2970825006 0.38167431778 -2.12083577867 TCL: Center of mass = 33.3003773941 0.381476083729 -2.1209205034 TCL: Center of mass = 33.3036705484 0.381287233527 -2.12100812393 TCL: Center of mass = 33.3069694361 0.381087641845 -2.12109004203 TCL: Center of mass = 33.3102672598 0.380888914745 -2.12117140649 TCL: Center of mass = 33.3135528114 0.380692975335 -2.12124808349 TCL: Center of mass = 33.3168437715 0.380496233293 -2.12132531049 TCL: Center of mass = 33.3201544197 0.380299175016 -2.12139587554 TCL: Center of mass = 33.3234626416 0.380101977286 -2.12147638615 TCL: Center of mass = 33.3267852528 0.37990691299 -2.12154830691 TCL: Center of mass = 33.3301018043 0.37971853537 -2.12162130957 TCL: Center of mass = 33.3334021167 0.379539121661 -2.12169469967 TCL: Center of mass = 33.3367083607 0.379369155949 -2.12177036499 TCL: Center of mass = 33.3400168903 0.379210263073 -2.12183693155 TCL: Center of mass = 33.343328393 0.379046764597 -2.12190148942 TCL: Center of mass = 33.346639021 0.378886007998 -2.1219597007 TCL: Center of mass = 33.349956148 0.378724601655 -2.12201541264 TCL: Center of mass = 33.3532746798 0.378565483523 -2.12208259678 TCL: Center of mass = 33.3565994542 0.378411082231 -2.12215184582 TCL: Center of mass = 33.3599240523 0.378257497213 -2.12221045939 TCL: Center of mass = 33.3632494777 0.378107394289 -2.12227688632 TCL: Center of mass = 33.3665680345 0.377961453803 -2.12234493405 TCL: Center of mass = 33.3698915112 0.377821067764 -2.12242425916 TCL: Center of mass = 33.3732075412 0.377682761566 -2.12250321518 TCL: Center of mass = 33.3765276442 0.377555229315 -2.12258432481 TCL: Center of mass = 33.3798453165 0.3774260036 -2.12268051496 TCL: Center of mass = 33.3831531363 0.37729992648 -2.12278487749 TCL: Center of mass = 33.386458794 0.377171320383 -2.12289440255 TCL: Center of mass = 33.3897653429 0.377034730001 -2.12300022091 TCL: Center of mass = 33.3930752486 0.376892752695 -2.12310898661 TCL: Center of mass = 33.3963915365 0.376747415092 -2.12321627836 TCL: Center of mass = 33.3996957026 0.376586774853 -2.1233369363 TCL: Center of mass = 33.4029912026 0.376433685171 -2.12345105442 TCL: Center of mass = 33.4062856027 0.376278704989 -2.12355734053 TCL: Center of mass = 33.4095740712 0.376122712864 -2.12367948414 TCL: Center of mass = 33.4128641507 0.375974021433 -2.12380134335 TCL: Center of mass = 33.41615252 0.375830439214 -2.12391666125 TCL: Center of mass = 33.4194353777 0.375694397836 -2.12403734759 TCL: Center of mass = 33.4227203705 0.375555411573 -2.12415754556 TCL: Center of mass = 33.4260113963 0.375422706823 -2.12428343321 TCL: Center of mass = 33.4292979622 0.375299294985 -2.12440592266 TCL: Center of mass = 33.4325925198 0.375176882696 -2.12453101671 TCL: Center of mass = 33.4358778978 0.375044092792 -2.12465162446 TCL: Center of mass = 33.439165292 0.374913552052 -2.12476072658 TCL: Center of mass = 33.4424479183 0.374775800678 -2.12488023977 TCL: Center of mass = 33.4457302604 0.374633290247 -2.12499336961 TCL: Center of mass = 33.4490131693 0.374499778516 -2.12510786602 TCL: Center of mass = 33.452282892 0.374364361801 -2.12522804461 TCL: Center of mass = 33.4555537481 0.374235054516 -2.12534066644 TCL: Center of mass = 33.458819209 0.374102198976 -2.12546090705 TCL: Center of mass = 33.4620891131 0.373959330126 -2.12558369278 TCL: Center of mass = 33.4653618146 0.373824320667 -2.1257118561 TCL: Center of mass = 33.4686470384 0.373683695456 -2.12583015731 TCL: Center of mass = 33.4719178521 0.373553249533 -2.12594375684 TCL: Center of mass = 33.4751874943 0.373431254649 -2.12605571063 TCL: Center of mass = 33.4784679174 0.373313202128 -2.12617015488 TCL: Center of mass = 33.4817522476 0.373205999879 -2.12629627124 TIMING: 11500 CPU: 975.649, 0.0858869/step Wall: 1193.51, 0.105302/step, 0.248629 hours remaining, 22147 kB of memory in use. ENERGY: 11500 422.7587 661.3605 417.1174 33.6631 -2736.8919 -238.3492 0.0000 0.0000 1166.8450 -273.4964 317.9979 -264.4805 -264.6714 317.2567 231.1640 357.9778 64000.0000 463.4732 464.1972 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 = 33.485044524 0.373093611349 -2.12642263022 TCL: Center of mass = 33.4883428528 0.372976016971 -2.1265441432 TCL: Center of mass = 33.4916318534 0.372860937666 -2.12666069159 TCL: Center of mass = 33.4949219481 0.372747050114 -2.12676275137 TCL: Center of mass = 33.4982086238 0.372620874909 -2.1268616505 TCL: Center of mass = 33.5014985314 0.372501228277 -2.12696157012 TCL: Center of mass = 33.5047851622 0.372383791381 -2.1270583878 TCL: Center of mass = 33.5080689032 0.372257073461 -2.12715796227 TCL: Center of mass = 33.5113435023 0.372134119894 -2.12725736217 TCL: Center of mass = 33.5146161893 0.372015541709 -2.12734523594 TCL: Center of mass = 33.5179071063 0.371902741503 -2.12744426 TCL: Center of mass = 33.5212029004 0.371790938848 -2.12755291125 TCL: Center of mass = 33.5245008466 0.37168479794 -2.12767070361 TCL: Center of mass = 33.5277898997 0.37157604816 -2.12778748491 TCL: Center of mass = 33.5310769207 0.371462235295 -2.12790252988 TCL: Center of mass = 33.5343622185 0.371352335952 -2.12799664891 TCL: Center of mass = 33.5376509753 0.3712401294 -2.12809076541 TCL: Center of mass = 33.5409303145 0.371132967504 -2.1281838175 TCL: Center of mass = 33.5442090491 0.371031319569 -2.12829338697 TCL: Center of mass = 33.5474832456 0.370931967081 -2.1284109699 TCL: Center of mass = 33.5507479135 0.370842096679 -2.12852856838 TCL: Center of mass = 33.5540232909 0.370753602959 -2.1286481628 TCL: Center of mass = 33.5572992875 0.370663259695 -2.12876556955 TCL: Center of mass = 33.5605795057 0.37057645103 -2.12887297736 TCL: Center of mass = 33.5638553388 0.370476746 -2.12898361125 TCL: Center of mass = 33.5671272465 0.370372972259 -2.12909049558 TCL: Center of mass = 33.5703921266 0.370263005269 -2.12918468236 TCL: Center of mass = 33.5736579562 0.37015212539 -2.12928167309 TCL: Center of mass = 33.5769167253 0.370048543141 -2.12938117681 TCL: Center of mass = 33.5801737967 0.369948107029 -2.12947881381 TCL: Center of mass = 33.5834322871 0.369844203751 -2.12958288968 TCL: Center of mass = 33.5866899684 0.369741866408 -2.129682503 TCL: Center of mass = 33.5899457161 0.369646951079 -2.12977864606 TCL: Center of mass = 33.5932148948 0.369547860395 -2.12987027474 TCL: Center of mass = 33.596499034 0.369444232012 -2.12997556723 TCL: Center of mass = 33.5997834217 0.369348310084 -2.13008388563 TCL: Center of mass = 33.6030679973 0.369259439042 -2.13017952504 TCL: Center of mass = 33.606352769 0.369188027305 -2.13028144279 TCL: Center of mass = 33.6096432678 0.369105576282 -2.13037880414 TCL: Center of mass = 33.6129322621 0.369029143141 -2.13048302613 TCL: Center of mass = 33.6162344198 0.368954248904 -2.13058186447 TCL: Center of mass = 33.619533965 0.368882436608 -2.13068959673 TCL: Center of mass = 33.6228396247 0.368806666304 -2.13079887847 TCL: Center of mass = 33.6261301705 0.368726305282 -2.13091150832 TCL: Center of mass = 33.6294234513 0.368649469453 -2.13103457758 TCL: Center of mass = 33.6327152306 0.368574272605 -2.13114504673 TCL: Center of mass = 33.6360049699 0.368497387996 -2.13125506415 TCL: Center of mass = 33.6392962627 0.368411191648 -2.13135807348 TCL: Center of mass = 33.6425825512 0.36831387619 -2.13146167959 TCL: Center of mass = 33.6458717193 0.368216944233 -2.13155859773 TCL: Center of mass = 33.6491650365 0.368109154373 -2.13165213452 TCL: Center of mass = 33.6524631396 0.3680052945 -2.13176133041 TCL: Center of mass = 33.6557621979 0.367906319268 -2.13186945456 TCL: Center of mass = 33.6590480516 0.367808727157 -2.13197857399 TCL: Center of mass = 33.6623274254 0.367704910238 -2.13208662613 TCL: Center of mass = 33.6656128049 0.367603543812 -2.13220267745 TCL: Center of mass = 33.6688978748 0.367493183002 -2.13231689275 TCL: Center of mass = 33.6721896824 0.367385382446 -2.13242166788 TCL: Center of mass = 33.6754840654 0.367277147884 -2.13251598517 TCL: Center of mass = 33.6787764679 0.367176951972 -2.13261632906 TCL: Center of mass = 33.6820684692 0.367067470991 -2.13271993911 TCL: Center of mass = 33.6853557208 0.366947683025 -2.13281939755 TCL: Center of mass = 33.6886422683 0.366820166414 -2.13290792473 TCL: Center of mass = 33.6919368708 0.3666931846 -2.13298117234 TCL: Center of mass = 33.6952457617 0.366561123904 -2.13306183017 TCL: Center of mass = 33.6985519337 0.36641952769 -2.13314680565 TCL: Center of mass = 33.7018595392 0.366273793737 -2.13323310409 TCL: Center of mass = 33.7051747991 0.3661313493 -2.13332087818 TCL: Center of mass = 33.7084923268 0.365984983729 -2.13341607676 TCL: Center of mass = 33.7118033264 0.36585200289 -2.13350938789 TCL: Center of mass = 33.715124452 0.36571998519 -2.13360505956 TCL: Center of mass = 33.71844846 0.365584049267 -2.13369440662 TCL: Center of mass = 33.7217765784 0.36545672165 -2.13377721527 TCL: Center of mass = 33.7251116715 0.3653267837 -2.133858392 TCL: Center of mass = 33.7284514747 0.365195018457 -2.13394775937 TCL: Center of mass = 33.7317906794 0.365062590656 -2.13404326979 TCL: Center of mass = 33.7351209815 0.36493462018 -2.1341311283 TCL: Center of mass = 33.7384474979 0.364805241926 -2.1342268968 TCL: Center of mass = 33.741766252 0.36468117333 -2.13431878384 TCL: Center of mass = 33.7450868661 0.364559916557 -2.13441019997 TCL: Center of mass = 33.7484137206 0.364436655368 -2.13450396653 TCL: Center of mass = 33.7517476754 0.364302231456 -2.13459112328 TCL: Center of mass = 33.7550818588 0.36417502606 -2.13468026277 TCL: Center of mass = 33.758424858 0.364060732892 -2.13477224517 TCL: Center of mass = 33.7617644574 0.363949782095 -2.13486826416 TCL: Center of mass = 33.7650939031 0.363830707366 -2.13495707494 TCL: Center of mass = 33.7684228987 0.363713538219 -2.13504469127 TCL: Center of mass = 33.7717398355 0.363602541684 -2.13512614568 TCL: Center of mass = 33.7750455484 0.363494874143 -2.13520533132 TCL: Center of mass = 33.7783594201 0.363384103591 -2.13526926209 TCL: Center of mass = 33.7816772656 0.363272171163 -2.13533865774 TCL: Center of mass = 33.7849928901 0.363162229757 -2.13539998507 TCL: Center of mass = 33.7883051246 0.363046913008 -2.13546321195 TCL: Center of mass = 33.7916170677 0.362936060397 -2.13551508757 TCL: Center of mass = 33.7949267507 0.36281904921 -2.13556748637 TCL: Center of mass = 33.7982457393 0.362709378527 -2.13561507415 TCL: Center of mass = 33.8015591937 0.362598737514 -2.13566027635 TCL: Center of mass = 33.8048695095 0.3624899781 -2.13571798453 TCL: Center of mass = 33.8081828704 0.362378521149 -2.13576421263 TCL: Center of mass = 33.8114861294 0.362261370188 -2.13580764004 TIMING: 11600 CPU: 984.211, 0.085627/step Wall: 1204.01, 0.105013/step, 0.24503 hours remaining, 22163 kB of memory in use. ENERGY: 11600 407.0308 704.4011 410.2128 40.8090 -2789.1461 -226.8847 0.0000 0.0000 1185.4944 -268.0827 323.0804 -259.0838 -259.4463 316.8480 228.4000 399.1985 64000.0000 860.4526 855.8134 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 = 33.8147916567 0.362144236193 -2.13585961801 TCL: Center of mass = 33.818085432 0.362041225217 -2.13591091491 TCL: Center of mass = 33.8213840789 0.361941049567 -2.13596261689 TCL: Center of mass = 33.8246812444 0.361848533089 -2.13601348368 TCL: Center of mass = 33.8279764006 0.361743091539 -2.13606236594 TCL: Center of mass = 33.8312675816 0.361649821506 -2.1361078516 TCL: Center of mass = 33.8345515509 0.361550909764 -2.13616581618 TCL: Center of mass = 33.8378493442 0.36144155599 -2.13622463052 TCL: Center of mass = 33.8411330683 0.361325585518 -2.13629004649 TCL: Center of mass = 33.8444126559 0.361212798519 -2.13635332807 TCL: Center of mass = 33.8476927718 0.36110640665 -2.13641453112 TCL: Center of mass = 33.8509751967 0.360998389854 -2.13649278937 TCL: Center of mass = 33.8542493816 0.360875547337 -2.13657734113 TCL: Center of mass = 33.8575252389 0.360757778534 -2.13666191885 TCL: Center of mass = 33.8607976092 0.360654260529 -2.13674560241 TCL: Center of mass = 33.8640631406 0.360547438124 -2.13683554217 TCL: Center of mass = 33.8673414416 0.360444190423 -2.13693918249 TCL: Center of mass = 33.8706139966 0.360349419753 -2.13705487421 TCL: Center of mass = 33.8738980744 0.360264629164 -2.13716401478 TCL: Center of mass = 33.8771854026 0.360172581078 -2.13726641705 TCL: Center of mass = 33.8804756427 0.360065163018 -2.13736831167 TCL: Center of mass = 33.883757659 0.359962548126 -2.13748224171 TCL: Center of mass = 33.8870417518 0.359851935368 -2.13760448191 TCL: Center of mass = 33.8903238922 0.359742157614 -2.13772014573 TCL: Center of mass = 33.8936061692 0.359629513516 -2.13783208344 TCL: Center of mass = 33.8969000244 0.359515379926 -2.13795304909 TCL: Center of mass = 33.900178918 0.35938738274 -2.13807975283 TCL: Center of mass = 33.9034543316 0.359251084847 -2.13820474743 TCL: Center of mass = 33.9067382579 0.35911947149 -2.13833687614 TCL: Center of mass = 33.9100236429 0.358998714451 -2.13847315116 TCL: Center of mass = 33.9133097705 0.35888603984 -2.13860867101 TCL: Center of mass = 33.9166063349 0.358773401354 -2.1387417988 TCL: Center of mass = 33.9199032717 0.358652193838 -2.1388824232 TCL: Center of mass = 33.9232003882 0.358535721642 -2.13902353869 TCL: Center of mass = 33.9264948067 0.358427784073 -2.13915691882 TCL: Center of mass = 33.9297818428 0.358314935098 -2.13928008865 TCL: Center of mass = 33.9330631951 0.358201682689 -2.13939449563 TCL: Center of mass = 33.9363361105 0.358082206333 -2.13950620271 TCL: Center of mass = 33.9396005727 0.357960783232 -2.13962725522 TCL: Center of mass = 33.9428680374 0.35784390932 -2.1397363084 TCL: Center of mass = 33.9461285065 0.357742191935 -2.13984460623 TCL: Center of mass = 33.949388351 0.357642436314 -2.1399436261 TCL: Center of mass = 33.9526703797 0.357545055599 -2.14004173901 TCL: Center of mass = 33.955967802 0.357446504254 -2.14014120137 TCL: Center of mass = 33.9592616476 0.357346452863 -2.14024776973 TCL: Center of mass = 33.962558982 0.357245494283 -2.14035119756 TCL: Center of mass = 33.9658619072 0.357148176725 -2.14045975682 TCL: Center of mass = 33.9691517688 0.357049100754 -2.14057062513 TCL: Center of mass = 33.9724268732 0.356954791641 -2.14068755207 TCL: Center of mass = 33.9757145003 0.35684903411 -2.1407991939 TCL: Center of mass = 33.9789988945 0.356747010052 -2.14092695262 TCL: Center of mass = 33.9822855897 0.356649122039 -2.14104837924 TCL: Center of mass = 33.9855647077 0.356542501527 -2.14116727687 TCL: Center of mass = 33.988841403 0.356439899386 -2.14129051321 TCL: Center of mass = 33.9921119724 0.356334762479 -2.14142057359 TCL: Center of mass = 33.9953872711 0.356234100787 -2.14155262155 TCL: Center of mass = 33.9986730674 0.356127145658 -2.14167244216 TCL: Center of mass = 34.0019672803 0.35601630186 -2.14179342581 TCL: Center of mass = 34.005268366 0.355900812716 -2.14190522735 TCL: Center of mass = 34.0085802443 0.355790979492 -2.14201790729 TCL: Center of mass = 34.0118823582 0.355684954668 -2.14213282283 TCL: Center of mass = 34.0151854645 0.355574661307 -2.14225542503 TCL: Center of mass = 34.0184867255 0.355463909767 -2.14236827356 TCL: Center of mass = 34.0217936993 0.355357420834 -2.14247102581 TCL: Center of mass = 34.0250984447 0.355246225526 -2.14257536156 TCL: Center of mass = 34.0284019521 0.35513386958 -2.14267182103 TCL: Center of mass = 34.0317068128 0.355015430629 -2.14277418623 TCL: Center of mass = 34.0350124454 0.354902213737 -2.14288262162 TCL: Center of mass = 34.0383250386 0.354786503069 -2.14298828032 TCL: Center of mass = 34.0416387513 0.354659933143 -2.14310247013 TCL: Center of mass = 34.0449541787 0.354528050933 -2.1432239792 TCL: Center of mass = 34.0482661782 0.354396478909 -2.1433442539 TCL: Center of mass = 34.0515839138 0.354256073421 -2.14346969246 TCL: Center of mass = 34.0548931121 0.354125839579 -2.14359741293 TCL: Center of mass = 34.0581845508 0.353992078089 -2.14372877093 TCL: Center of mass = 34.0614743996 0.353862134317 -2.14386738859 TCL: Center of mass = 34.0647828449 0.353741470641 -2.14400718586 TCL: Center of mass = 34.068093098 0.353618307478 -2.14414907257 TCL: Center of mass = 34.07139517 0.353489809157 -2.1443106174 TCL: Center of mass = 34.0746959309 0.353361093966 -2.14448523079 TCL: Center of mass = 34.0779906931 0.353233516353 -2.14464227065 TCL: Center of mass = 34.081290157 0.353107626092 -2.14479688446 TCL: Center of mass = 34.0845859452 0.35298084886 -2.14494224189 TCL: Center of mass = 34.0878787299 0.352848909911 -2.14508333058 TCL: Center of mass = 34.0911692612 0.352719276403 -2.14522630904 TCL: Center of mass = 34.0944656597 0.352589413469 -2.14536800179 TCL: Center of mass = 34.097761404 0.352467242062 -2.14550896751 TCL: Center of mass = 34.1010545506 0.352347406748 -2.14564963966 TCL: Center of mass = 34.1043423158 0.352221147618 -2.14578534628 TCL: Center of mass = 34.1076322516 0.352093602827 -2.14592099432 TCL: Center of mass = 34.1109256603 0.351965448374 -2.14605042438 TCL: Center of mass = 34.1142277289 0.351827991002 -2.14617415041 TCL: Center of mass = 34.1175245275 0.351688661641 -2.14630227489 TCL: Center of mass = 34.1208269624 0.351546000174 -2.14643616829 TCL: Center of mass = 34.1241372633 0.351409307715 -2.14656552896 TCL: Center of mass = 34.1274443324 0.351261590186 -2.1467010105 TCL: Center of mass = 34.1307348324 0.351109844993 -2.14682795322 TCL: Center of mass = 34.1340245608 0.350952586122 -2.14696705384 TCL: Center of mass = 34.1373071085 0.350803437517 -2.1471109742 TCL: Center of mass = 34.1405689759 0.350649063983 -2.14725738436 TIMING: 11700 CPU: 992.762, 0.085507/step Wall: 1214.51, 0.104987/step, 0.242052 hours remaining, 22163 kB of memory in use. ENERGY: 11700 436.3079 681.1324 435.7335 44.9067 -2766.8128 -228.6584 0.0000 0.0000 1126.1598 -271.2309 306.9100 -262.0045 -263.3119 317.7240 414.1782 634.6801 64000.0000 699.3537 700.0891 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 = 34.1438317275 0.350496372829 -2.14741640903 TCL: Center of mass = 34.1470912449 0.350348773821 -2.1475760049 TCL: Center of mass = 34.1503499264 0.350201393329 -2.14774017445 TCL: Center of mass = 34.1536122512 0.350045915649 -2.147897588 TCL: Center of mass = 34.1568781336 0.349899584973 -2.14805581287 TCL: Center of mass = 34.1601415369 0.34975239597 -2.14821428664 TCL: Center of mass = 34.1633970689 0.349614974847 -2.14838475029 TCL: Center of mass = 34.1666657239 0.349481652199 -2.14855332309 TCL: Center of mass = 34.1699433299 0.349342689737 -2.14871923536 TCL: Center of mass = 34.1732239275 0.349195458103 -2.14889246495 TCL: Center of mass = 34.176504254 0.349039059815 -2.14905826107 TCL: Center of mass = 34.1797748153 0.348876907047 -2.14922354721 TCL: Center of mass = 34.1830337396 0.348724165018 -2.14938835206 TCL: Center of mass = 34.1862913683 0.348577738644 -2.14956440261 TCL: Center of mass = 34.1895606701 0.348440035701 -2.14974000185 TCL: Center of mass = 34.1928287565 0.348304153018 -2.14991594547 TCL: Center of mass = 34.1961042597 0.348167473437 -2.15009253179 TCL: Center of mass = 34.1993781389 0.348038507788 -2.15027642905 TCL: Center of mass = 34.2026599942 0.347909825242 -2.15044328416 TCL: Center of mass = 34.2059423629 0.347768656715 -2.15061349849 TCL: Center of mass = 34.2092259418 0.347644059073 -2.15078411347 TCL: Center of mass = 34.2124941297 0.347527935967 -2.15095157932 TCL: Center of mass = 34.2157656719 0.347417628676 -2.15111723955 TCL: Center of mass = 34.2190414242 0.347304091545 -2.15128838383 TCL: Center of mass = 34.2223113463 0.347174523081 -2.15145110079 TCL: Center of mass = 34.2255682206 0.347036876195 -2.15160357125 TCL: Center of mass = 34.228840927 0.346891963302 -2.15176358677 TCL: Center of mass = 34.2321108128 0.346752293305 -2.15192722662 TCL: Center of mass = 34.2353924979 0.346610189874 -2.15208625126 TCL: Center of mass = 34.2386702441 0.346474924212 -2.15224289602 TCL: Center of mass = 34.241954552 0.346337485521 -2.15240019334 TCL: Center of mass = 34.2452312789 0.346191965721 -2.15255368386 TCL: Center of mass = 34.2485012312 0.346041742238 -2.15271503611 TCL: Center of mass = 34.2517704448 0.345884157599 -2.15287973431 TCL: Center of mass = 34.2550431948 0.345732600109 -2.15304934838 TCL: Center of mass = 34.258323194 0.345581120754 -2.15320924807 TCL: Center of mass = 34.2616095875 0.34542049791 -2.15336096522 TCL: Center of mass = 34.2649065017 0.345259721648 -2.15352038591 TCL: Center of mass = 34.2682005663 0.345102481901 -2.1536843757 TCL: Center of mass = 34.2714896189 0.344942971781 -2.15384349341 TCL: Center of mass = 34.2747703828 0.344785111222 -2.15398556679 TCL: Center of mass = 34.278044592 0.344633190182 -2.15413409159 TCL: Center of mass = 34.2813125315 0.344478034768 -2.15428978719 TCL: Center of mass = 34.2845800857 0.344336980341 -2.15446742113 TCL: Center of mass = 34.2878604975 0.344198536363 -2.15465172537 TCL: Center of mass = 34.2911345676 0.344065626143 -2.15483722414 TCL: Center of mass = 34.2944164002 0.343943266864 -2.15502613471 TCL: Center of mass = 34.2977053782 0.343823126591 -2.15521662905 TCL: Center of mass = 34.3009998869 0.343697881495 -2.15540337358 TCL: Center of mass = 34.3042998128 0.343572467186 -2.1555945213 TCL: Center of mass = 34.3075883488 0.343439100428 -2.15579243898 TCL: Center of mass = 34.3108718321 0.343312815663 -2.15599551658 TCL: Center of mass = 34.3141538834 0.343189902114 -2.15619937271 TCL: Center of mass = 34.3174492487 0.343069201363 -2.15640960431 TCL: Center of mass = 34.3207412237 0.342942026224 -2.15662237774 TCL: Center of mass = 34.3240327819 0.342816671703 -2.15683406498 TCL: Center of mass = 34.3273199102 0.342691180064 -2.15704636418 TCL: Center of mass = 34.330612152 0.342563483567 -2.15725779212 TCL: Center of mass = 34.3338987201 0.342425070794 -2.1574687144 TCL: Center of mass = 34.3371880222 0.342286961655 -2.15768148856 TCL: Center of mass = 34.3404764839 0.342147656034 -2.15790196754 TCL: Center of mass = 34.3437676134 0.341988655811 -2.15812236074 TCL: Center of mass = 34.3470498474 0.341825727218 -2.15833729272 TCL: Center of mass = 34.3503261249 0.341664999699 -2.15854621106 TCL: Center of mass = 34.3536091974 0.341505238969 -2.15875938541 TCL: Center of mass = 34.3568938288 0.341345256464 -2.15895361223 TCL: Center of mass = 34.3601759642 0.341178296803 -2.15915382759 TCL: Center of mass = 34.3634626303 0.341008833981 -2.1593571792 TCL: Center of mass = 34.366763867 0.340841274039 -2.15955533417 TCL: Center of mass = 34.3700780197 0.340673711992 -2.15974099979 TCL: Center of mass = 34.3733800896 0.340510831167 -2.15992792272 TCL: Center of mass = 34.3766719983 0.340341483078 -2.16010935208 TCL: Center of mass = 34.3799711589 0.340169620619 -2.16029107952 TCL: Center of mass = 34.3832773131 0.339985894344 -2.16046290301 TCL: Center of mass = 34.3865802743 0.339803080248 -2.16064018427 TCL: Center of mass = 34.3898852449 0.339627445122 -2.16083977964 TCL: Center of mass = 34.3931866046 0.339461230048 -2.16103903228 TCL: Center of mass = 34.3964911312 0.339301466596 -2.16124806689 TCL: Center of mass = 34.3997960972 0.339149252173 -2.16145614415 TCL: Center of mass = 34.403109036 0.338981690071 -2.16167213018 TCL: Center of mass = 34.4064167784 0.338832084117 -2.16188448988 TCL: Center of mass = 34.409726524 0.338688458428 -2.16210083799 TCL: Center of mass = 34.4130385906 0.338536039177 -2.16231454214 TCL: Center of mass = 34.4163605817 0.338377277338 -2.16251627776 TCL: Center of mass = 34.4196842122 0.338215742056 -2.16271242814 TCL: Center of mass = 34.4230052832 0.338051445159 -2.16291124244 TCL: Center of mass = 34.4263324648 0.337883461547 -2.16309306837 TCL: Center of mass = 34.429655544 0.337709020422 -2.16327956684 TCL: Center of mass = 34.4329827485 0.3375204294 -2.1634540137 TCL: Center of mass = 34.4363245104 0.337319901607 -2.16363945096 TCL: Center of mass = 34.4396760731 0.337122536356 -2.16382672797 TCL: Center of mass = 34.4430341957 0.336914093885 -2.16401259511 TCL: Center of mass = 34.446391712 0.336711149169 -2.16419772928 TCL: Center of mass = 34.4497452841 0.336501546608 -2.16438682267 TCL: Center of mass = 34.4530959091 0.33628591024 -2.16459468058 TCL: Center of mass = 34.4564538029 0.336069748632 -2.16481370594 TCL: Center of mass = 34.4598079604 0.335866055465 -2.16501811469 TCL: Center of mass = 34.4631549454 0.335660675987 -2.16520723295 TCL: Center of mass = 34.4665058066 0.335462543435 -2.16537953314 TCL: Center of mass = 34.4698538017 0.335261749163 -2.16555016116 TIMING: 11800 CPU: 1001.35, 0.0858769/step Wall: 1225.05, 0.105406/step, 0.24009 hours remaining, 22163 kB of memory in use. ENERGY: 11800 402.4747 658.7842 430.3496 44.7261 -2774.7842 -218.9759 0.0000 0.0000 1197.4224 -260.0032 326.3311 -251.7515 -249.4504 317.4556 1059.5157 978.3082 64000.0000 957.1996 950.4662 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 = 34.4731963577 0.335074079801 -2.16571382091 TCL: Center of mass = 34.4765378654 0.33489298927 -2.16587418242 TCL: Center of mass = 34.4798753582 0.334703691866 -2.16603519928 TCL: Center of mass = 34.4832085097 0.334506171735 -2.16619373124 TCL: Center of mass = 34.4865449349 0.334297426422 -2.16633786908 TCL: Center of mass = 34.4898829822 0.334090782956 -2.16648059027 TCL: Center of mass = 34.4932014738 0.333901057858 -2.16661677538 TCL: Center of mass = 34.4965184319 0.333709869615 -2.16674437295 TCL: Center of mass = 34.4998306984 0.333519385868 -2.16687067605 TCL: Center of mass = 34.5031414042 0.333330869626 -2.16699189272 TCL: Center of mass = 34.50645167 0.333141578033 -2.16711287614 TCL: Center of mass = 34.5097620067 0.332952805995 -2.16723895424 TCL: Center of mass = 34.5130789256 0.332765806043 -2.16736271936 TCL: Center of mass = 34.5163920724 0.332573896187 -2.1674950033 TCL: Center of mass = 34.5197062287 0.332383572262 -2.16763870594 TCL: Center of mass = 34.5230136609 0.332193550724 -2.16778382595 TCL: Center of mass = 34.5263212557 0.33201026896 -2.1679287146 TCL: Center of mass = 34.5296329297 0.331820504611 -2.16806715224 TCL: Center of mass = 34.5329417261 0.33163640786 -2.16820059904 TCL: Center of mass = 34.5362582489 0.331445339188 -2.16833117269 TCL: Center of mass = 34.5395791146 0.331250664218 -2.16846288488 TCL: Center of mass = 34.5429117664 0.331058029901 -2.16860030935 TCL: Center of mass = 34.5462345818 0.330854185785 -2.16873930556 TCL: Center of mass = 34.5495687446 0.330645935178 -2.16886214296 TCL: Center of mass = 34.5529015903 0.330441498378 -2.16898264988 TCL: Center of mass = 34.5562351313 0.330224743792 -2.16909726566 TCL: Center of mass = 34.5595671387 0.330015714816 -2.16921281036 TCL: Center of mass = 34.5628960792 0.329810153468 -2.16932979662 TCL: Center of mass = 34.5662243927 0.329606528692 -2.1694529651 TCL: Center of mass = 34.5695449911 0.329396045691 -2.16956853963 TCL: Center of mass = 34.5728623078 0.329184665303 -2.16967505587 TCL: Center of mass = 34.5761749052 0.328955746621 -2.16977334115 TCL: Center of mass = 34.5794961922 0.328733856862 -2.16987536849 TCL: Center of mass = 34.5828189293 0.328515199259 -2.16997175166 TCL: Center of mass = 34.586128391 0.328289381168 -2.17006468202 TCL: Center of mass = 34.5894381683 0.328063680896 -2.17015898757 TCL: Center of mass = 34.5927448011 0.327833886866 -2.17024536176 TCL: Center of mass = 34.5960506954 0.327593935857 -2.17033210087 TCL: Center of mass = 34.5993488846 0.327345289191 -2.17040991298 TCL: Center of mass = 34.6026485359 0.327106658322 -2.17049548978 TCL: Center of mass = 34.6059541471 0.326866194454 -2.1705881129 TCL: Center of mass = 34.6092603003 0.326602824615 -2.17069056735 TCL: Center of mass = 34.6125634777 0.326350493973 -2.17079268688 TCL: Center of mass = 34.6158722733 0.326094835768 -2.17088728282 TCL: Center of mass = 34.6191784152 0.325846191084 -2.17098988599 TCL: Center of mass = 34.6224706638 0.325610921918 -2.17109338145 TCL: Center of mass = 34.6257689123 0.325367020856 -2.17120064673 TCL: Center of mass = 34.6290668331 0.325115776439 -2.17130293477 TCL: Center of mass = 34.6323604571 0.324862219382 -2.17140073085 TCL: Center of mass = 34.6356538109 0.324618248155 -2.1714972974 TCL: Center of mass = 34.6389523926 0.324367770038 -2.17158720909 TCL: Center of mass = 34.6422481247 0.324127911347 -2.17167516674 TCL: Center of mass = 34.6455447262 0.323899940629 -2.17175685532 TCL: Center of mass = 34.6488531431 0.323671593455 -2.17182896186 TCL: Center of mass = 34.6521659139 0.323451583206 -2.17190604395 TCL: Center of mass = 34.6554815978 0.323225210685 -2.17197751493 TCL: Center of mass = 34.6587851169 0.322996729339 -2.17204861511 TCL: Center of mass = 34.6620841335 0.32276970389 -2.17212068384 TCL: Center of mass = 34.6653685591 0.322544774276 -2.17219383649 TCL: Center of mass = 34.6686586273 0.322313400161 -2.17225998005 TCL: Center of mass = 34.6719373128 0.322075988691 -2.17232904316 TCL: Center of mass = 34.6752210659 0.321841987709 -2.17240113066 TCL: Center of mass = 34.6785007579 0.321610503386 -2.1724821866 TCL: Center of mass = 34.681779824 0.321368556197 -2.17255663686 TCL: Center of mass = 34.6850556465 0.321133529749 -2.17262992551 TCL: Center of mass = 34.6883239302 0.320893450333 -2.17270011556 TCL: Center of mass = 34.691605206 0.320641247794 -2.17277224519 TCL: Center of mass = 34.694880976 0.320396706755 -2.17285315713 TCL: Center of mass = 34.6981548805 0.320153357795 -2.17293441022 TCL: Center of mass = 34.7014186171 0.319891921012 -2.17301148878 TCL: Center of mass = 34.7047026751 0.319624563583 -2.17308932569 TCL: Center of mass = 34.7079936155 0.319356142644 -2.17316545597 TCL: Center of mass = 34.711282741 0.319090080437 -2.17325215964 TCL: Center of mass = 34.7145727957 0.318816858231 -2.17333272036 TCL: Center of mass = 34.7178613929 0.318552651986 -2.17340945859 TCL: Center of mass = 34.7211796959 0.318300024468 -2.17349970334 TCL: Center of mass = 34.7244933869 0.318048516047 -2.1735912336 TCL: Center of mass = 34.7277982133 0.317795285299 -2.17370136479 TCL: Center of mass = 34.7311013453 0.317546351229 -2.17382958755 TCL: Center of mass = 34.7344076136 0.317295615473 -2.17396506749 TCL: Center of mass = 34.7377094987 0.317050704989 -2.17410463453 TCL: Center of mass = 34.741011339 0.316811241205 -2.17424842698 TCL: Center of mass = 34.7443141586 0.316579557015 -2.17440626557 TCL: Center of mass = 34.7476191734 0.316341962994 -2.17455757304 TCL: Center of mass = 34.7509102868 0.316103434864 -2.17471887017 TCL: Center of mass = 34.7541909984 0.315861191683 -2.17486986419 TCL: Center of mass = 34.7574777703 0.315617440633 -2.17501290509 TCL: Center of mass = 34.7607711323 0.315365564954 -2.17514398667 TCL: Center of mass = 34.7640530739 0.315124091869 -2.17526932041 TCL: Center of mass = 34.7673413001 0.314887925973 -2.1753849486 TCL: Center of mass = 34.7706425458 0.314665162659 -2.1754953581 TCL: Center of mass = 34.7739367303 0.314430631309 -2.1756055131 TCL: Center of mass = 34.777221601 0.31419096135 -2.17571136334 TCL: Center of mass = 34.7805107502 0.313944380165 -2.17580419193 TCL: Center of mass = 34.7838030396 0.31369471516 -2.17589716381 TCL: Center of mass = 34.7870893215 0.313436263398 -2.17597881915 TCL: Center of mass = 34.7903897122 0.313185345381 -2.176066973 TCL: Center of mass = 34.7936937848 0.312936162914 -2.17615800204 TCL: Center of mass = 34.7970007712 0.312695208999 -2.17626345568 TCL: Center of mass = 34.8003025928 0.312453612203 -2.1763683859 TIMING: 11900 CPU: 1009.89, 0.085417/step Wall: 1270.84, 0.457843/step, 1.03015 hours remaining, 22163 kB of memory in use. ENERGY: 11900 369.2207 692.0741 410.9180 52.7168 -2797.6576 -194.2803 0.0000 0.0000 1207.1331 -259.8752 328.9775 -251.2908 -250.2732 318.0156 1336.2621 987.3043 64000.0000 755.6851 754.0128 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 = 34.8036003535 0.312210692545 -2.17646923929 TCL: Center of mass = 34.8068864634 0.311974393305 -2.17655844271 TCL: Center of mass = 34.8101816546 0.311740306971 -2.17664021198 TCL: Center of mass = 34.8134861905 0.311499724851 -2.17672352575 TCL: Center of mass = 34.8167873637 0.311256796371 -2.17679961402 TCL: Center of mass = 34.8200902526 0.311009760349 -2.1768807954 TCL: Center of mass = 34.8233955304 0.310751614094 -2.17696181017 TCL: Center of mass = 34.826710567 0.310490272432 -2.17703532605 TCL: Center of mass = 34.8300259835 0.310224653998 -2.17709628857 TCL: Center of mass = 34.8333373652 0.309958068747 -2.17716509392 TCL: Center of mass = 34.8366458911 0.30969467928 -2.17723565425 TCL: Center of mass = 34.8399541369 0.309424756146 -2.17730431636 TCL: Center of mass = 34.8432644049 0.309171659499 -2.17737581648 TCL: Center of mass = 34.8465829424 0.30891731322 -2.17744471065 TCL: Center of mass = 34.8498914848 0.308658576185 -2.17750762871 TCL: Center of mass = 34.8531928938 0.308396062717 -2.17757190575 TCL: Center of mass = 34.8565004027 0.308133611845 -2.177642965 TCL: Center of mass = 34.8598128793 0.307866425602 -2.17771246092 TCL: Center of mass = 34.863125874 0.30759279328 -2.1777889208 TCL: Center of mass = 34.8664420578 0.307316479822 -2.17786985386 TCL: Center of mass = 34.8697594671 0.307036326746 -2.1779542692 TCL: Center of mass = 34.8730715516 0.306761012926 -2.17803370061 TCL: Center of mass = 34.8764008479 0.306491224511 -2.17811092969 TCL: Center of mass = 34.8797380332 0.306216058125 -2.1781941793 TCL: Center of mass = 34.8830661575 0.305943241708 -2.17828251841 TCL: Center of mass = 34.8863903531 0.305677315986 -2.17837349926 TCL: Center of mass = 34.8897167076 0.305408820967 -2.17846330811 TCL: Center of mass = 34.8930492441 0.30514028404 -2.17854736692 TCL: Center of mass = 34.8963955648 0.304864487294 -2.17864142338 TCL: Center of mass = 34.8997466454 0.304591137774 -2.17873146775 TCL: Center of mass = 34.9030787421 0.30432034882 -2.17883022601 TCL: Center of mass = 34.9064014341 0.30405472758 -2.17892836344 TCL: Center of mass = 34.9097285828 0.303790479843 -2.17903449295 TCL: Center of mass = 34.9130422896 0.303530163787 -2.1791502804 TCL: Center of mass = 34.9163604135 0.303262777456 -2.17926357311 TCL: Center of mass = 34.9196854001 0.302995967762 -2.17939107807 TCL: Center of mass = 34.9230182385 0.302725997584 -2.17952399848 TCL: Center of mass = 34.9263501963 0.30245967119 -2.17965567836 TCL: Center of mass = 34.9296789732 0.302190252202 -2.17978827478 TCL: Center of mass = 34.9330105308 0.3019137099 -2.17992705836 TCL: Center of mass = 34.9363375875 0.301628237678 -2.18006634973 TCL: Center of mass = 34.939669314 0.301346778046 -2.18020927948 TCL: Center of mass = 34.9430013123 0.301061358851 -2.18034683633 TCL: Center of mass = 34.946326159 0.300774621232 -2.18049607112 TCL: Center of mass = 34.9496712972 0.300494158992 -2.18065759832 TCL: Center of mass = 34.9530160832 0.300219471098 -2.18081094192 TCL: Center of mass = 34.9563668573 0.299951334491 -2.18096241106 TCL: Center of mass = 34.9597272684 0.299689329597 -2.18110679478 TCL: Center of mass = 34.9630933262 0.29941640692 -2.18126114822 TCL: Center of mass = 34.9664465212 0.299136384801 -2.18139695087 TCL: Center of mass = 34.9697921413 0.298860232877 -2.18152985338 TCL: Center of mass = 34.9731375837 0.298594284421 -2.18165775621 TCL: Center of mass = 34.9764749907 0.298317734134 -2.18178160873 TCL: Center of mass = 34.9798002637 0.298037224489 -2.18188683388 TCL: Center of mass = 34.983140089 0.297756237345 -2.18197734964 TCL: Center of mass = 34.9864719857 0.297479153342 -2.18207721598 TCL: Center of mass = 34.9897847768 0.2971850671 -2.1821824345 TCL: Center of mass = 34.9930924623 0.296887654854 -2.18228738604 TCL: Center of mass = 34.9963956409 0.296584820404 -2.18239084041 TCL: Center of mass = 34.9996881323 0.296285376908 -2.1824841617 TCL: Center of mass = 35.0029869123 0.295990567716 -2.18258770492 TCL: Center of mass = 35.0062842897 0.295697451786 -2.1826814652 TCL: Center of mass = 35.0095910071 0.295409269526 -2.18278246973 TCL: Center of mass = 35.0129001698 0.295113327242 -2.18288777735 TCL: Center of mass = 35.0162048474 0.294810419427 -2.18299699966 TCL: Center of mass = 35.0195091385 0.29450958784 -2.18311419162 TCL: Center of mass = 35.0228155838 0.294213444713 -2.18323029421 TCL: Center of mass = 35.0261162403 0.293918966055 -2.18334511895 TCL: Center of mass = 35.0294232367 0.29362123679 -2.18345106204 TCL: Center of mass = 35.0327348821 0.293323735508 -2.18355447019 TCL: Center of mass = 35.0360485413 0.293011272976 -2.18365007224 TCL: Center of mass = 35.0393684222 0.292699660745 -2.18373820387 TCL: Center of mass = 35.042702728 0.292391187862 -2.1838299267 TCL: Center of mass = 35.0460394387 0.292088589589 -2.18392537763 TCL: Center of mass = 35.0493786421 0.291790157015 -2.18401193876 TCL: Center of mass = 35.0527295614 0.291494666711 -2.18410303809 TCL: Center of mass = 35.0560768147 0.291211104949 -2.18419752234 TCL: Center of mass = 35.0594264627 0.290928524927 -2.18428641657 TCL: Center of mass = 35.0627806433 0.290642274388 -2.18437455585 TCL: Center of mass = 35.0661332618 0.290346757973 -2.18445987967 TCL: Center of mass = 35.0694920726 0.290051941735 -2.18455093291 TCL: Center of mass = 35.0728542626 0.289742655539 -2.18463528537 TCL: Center of mass = 35.0762127238 0.289429166649 -2.18471272216 TCL: Center of mass = 35.079562677 0.289107063231 -2.18479087643 TCL: Center of mass = 35.0829178641 0.288798848786 -2.18487005973 TCL: Center of mass = 35.0862566685 0.288483354289 -2.18493900247 TCL: Center of mass = 35.0895917614 0.288165632653 -2.18501059299 TCL: Center of mass = 35.0929296596 0.287835821918 -2.18509504444 TCL: Center of mass = 35.0962720165 0.287515024218 -2.18518415494 TCL: Center of mass = 35.0996143673 0.287202380998 -2.18527101433 TCL: Center of mass = 35.1029566176 0.286882150335 -2.185351401 TCL: Center of mass = 35.1062983264 0.286570856757 -2.18543353917 TCL: Center of mass = 35.1096307503 0.286268046279 -2.18551026635 TCL: Center of mass = 35.1129654447 0.285955158282 -2.18559653743 TCL: Center of mass = 35.1162962662 0.285643648731 -2.18567724748 TCL: Center of mass = 35.1196264569 0.285328987513 -2.18577010759 TCL: Center of mass = 35.1229618203 0.285013198948 -2.18587432663 TCL: Center of mass = 35.1262928269 0.284697974121 -2.18596682214 TCL: Center of mass = 35.1296307812 0.284385059527 -2.18605854827 TCL: Center of mass = 35.132971762 0.284078789231 -2.18616037256 TIMING: 12000 CPU: 1018.68, 0.0878766/step Wall: 1246.08, -0.247569/step, -0.550154 hours remaining, 22163 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 403.9542 701.9514 416.1098 37.6217 -2774.7897 -231.0755 0.0000 0.0000 1187.9244 -258.3036 323.7426 -249.7892 -248.5413 320.2574 1260.3685 924.0366 64000.0000 1139.1553 1147.3731 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 = 35.1363215153 0.283769780012 -2.18626285321 TCL: Center of mass = 35.1396721214 0.28346517718 -2.1863666342 TCL: Center of mass = 35.1430233257 0.283166117287 -2.18645101953 TCL: Center of mass = 35.146375567 0.282859990834 -2.18653834138 TCL: Center of mass = 35.1497192375 0.282563160888 -2.18662885228 TCL: Center of mass = 35.1530689122 0.282269800544 -2.18672220041 TCL: Center of mass = 35.1564192048 0.281973934258 -2.18682907331 TCL: Center of mass = 35.159762272 0.281678316459 -2.18693480218 TCL: Center of mass = 35.1631140547 0.281393497109 -2.18705128156 TCL: Center of mass = 35.1664656898 0.281105308631 -2.18715991119 TCL: Center of mass = 35.1698050838 0.280817760189 -2.18726240848 TCL: Center of mass = 35.1731387005 0.280520972737 -2.18736588035 TCL: Center of mass = 35.1764685573 0.28022673454 -2.18746485021 TCL: Center of mass = 35.1797996351 0.279928982504 -2.18756684925 TCL: Center of mass = 35.1831328226 0.279639793619 -2.18766034346 TCL: Center of mass = 35.186472718 0.279358935317 -2.18774779237 TCL: Center of mass = 35.189817902 0.27907733441 -2.18783094177 TCL: Center of mass = 35.1931511801 0.278798770022 -2.18791386808 TCL: Center of mass = 35.1964901831 0.278520200755 -2.18798535263 TCL: Center of mass = 35.1998282027 0.278221198173 -2.18805454966 TCL: Center of mass = 35.2031732056 0.27792559967 -2.1881227477 TCL: Center of mass = 35.2065270052 0.277630880909 -2.18818792419 TCL: Center of mass = 35.209877625 0.277351395381 -2.18824314654 TCL: Center of mass = 35.2132348215 0.27707587847 -2.18828874431 TCL: Center of mass = 35.2165951963 0.27679375125 -2.1883256128 TCL: Center of mass = 35.2199573977 0.276507064957 -2.18835840767 TCL: Center of mass = 35.2233210139 0.276217541029 -2.18838070068 TCL: Center of mass = 35.2266904942 0.275924448855 -2.1884026371 TCL: Center of mass = 35.2300474354 0.275620443156 -2.18842732518 TCL: Center of mass = 35.2333974168 0.275315839343 -2.18843383497 TCL: Center of mass = 35.2367512463 0.275005334064 -2.18844395904 TCL: Center of mass = 35.2401015652 0.27469965952 -2.18845632026 TCL: Center of mass = 35.2434490072 0.274389405128 -2.1884609573 TCL: Center of mass = 35.2467995811 0.274083994484 -2.18847666523 TCL: Center of mass = 35.2501474948 0.273774264552 -2.18849238181 TCL: Center of mass = 35.25348486 0.273456770007 -2.18851678672 TCL: Center of mass = 35.2568268708 0.273126014215 -2.18853158552 TCL: Center of mass = 35.2601754275 0.272791452257 -2.1885388332 TCL: Center of mass = 35.2635199134 0.272453693722 -2.18853767499 TCL: Center of mass = 35.2668783099 0.27212373938 -2.18854045403 TCL: Center of mass = 35.270236495 0.271794994869 -2.18854249215 TCL: Center of mass = 35.2735965986 0.271462529508 -2.18854652173 TCL: Center of mass = 35.276947742 0.271126474739 -2.18855268479 TCL: Center of mass = 35.2803022005 0.270782935049 -2.18856454473 TCL: Center of mass = 35.2836476179 0.270437743545 -2.18857729602 TCL: Center of mass = 35.2869806413 0.2701050899 -2.18860378313 TCL: Center of mass = 35.2903182041 0.269773858161 -2.18862522936 TCL: Center of mass = 35.2936601119 0.269449324509 -2.18864506707 TCL: Center of mass = 35.2970080855 0.269130078513 -2.18865834873 TCL: Center of mass = 35.3003482093 0.268807621553 -2.18866573797 TCL: Center of mass = 35.3036910217 0.268490570938 -2.18868186683 TCL: Center of mass = 35.3070262652 0.268177181781 -2.18870719081 TCL: Center of mass = 35.3103678816 0.267871348933 -2.18871714449 TCL: Center of mass = 35.3137058372 0.267581222814 -2.18872125738 TCL: Center of mass = 35.3170380299 0.267296225625 -2.18872328231 TCL: Center of mass = 35.3203646978 0.267010555369 -2.18872282313 TCL: Center of mass = 35.3236891872 0.266718359287 -2.18873129663 TCL: Center of mass = 35.3270144627 0.266435776873 -2.18873643227 TCL: Center of mass = 35.3303427686 0.266149846885 -2.18873505521 TCL: Center of mass = 35.3336791202 0.26587329749 -2.18873856076 TCL: Center of mass = 35.3370262552 0.265599152746 -2.18874603243 TCL: Center of mass = 35.3403724308 0.26531976876 -2.18875728893 TCL: Center of mass = 35.3437201418 0.265038309409 -2.18877874826 TCL: Center of mass = 35.3470677238 0.264756577699 -2.18880965451 TCL: Center of mass = 35.3504116901 0.264478728341 -2.18884107073 TCL: Center of mass = 35.3537567942 0.26421283026 -2.18886328459 TCL: Center of mass = 35.357099624 0.263941837148 -2.1888893226 TCL: Center of mass = 35.3604444788 0.263655296402 -2.18890541515 TCL: Center of mass = 35.3637719357 0.26338076929 -2.18891620246 TCL: Center of mass = 35.3670956192 0.263112236159 -2.18892953256 TCL: Center of mass = 35.3704147429 0.262847255462 -2.18894800615 TCL: Center of mass = 35.373742175 0.262581008534 -2.18896157923 TCL: Center of mass = 35.3770741492 0.262306649292 -2.18897350422 TCL: Center of mass = 35.3804137162 0.26201438246 -2.18898649352 TCL: Center of mass = 35.3837485271 0.261723936366 -2.18899420249 TCL: Center of mass = 35.3870827665 0.261437013805 -2.1890060267 TCL: Center of mass = 35.3904168528 0.26115171331 -2.18902673294 TCL: Center of mass = 35.3937429604 0.260859466735 -2.18903773005 TCL: Center of mass = 35.3970626861 0.26057894221 -2.1890543268 TCL: Center of mass = 35.4003851716 0.260303290551 -2.18908220889 TCL: Center of mass = 35.4037012557 0.26002981729 -2.18911225835 TCL: Center of mass = 35.40701332 0.259763867833 -2.18915070835 TCL: Center of mass = 35.4103227692 0.259490335698 -2.18918592316 TCL: Center of mass = 35.413624681 0.259201290893 -2.18922423673 TCL: Center of mass = 35.416931256 0.258902075854 -2.18926472987 TCL: Center of mass = 35.4202393484 0.258598433175 -2.18931391421 TCL: Center of mass = 35.4235480173 0.258293519235 -2.18937030932 TCL: Center of mass = 35.4268576923 0.257977378404 -2.18942778025 TCL: Center of mass = 35.4301782266 0.25766470422 -2.18949174392 TCL: Center of mass = 35.4335006708 0.257355116818 -2.1895555189 TCL: Center of mass = 35.4368250336 0.257050221748 -2.18960907763 TCL: Center of mass = 35.440161293 0.256748696092 -2.18966369689 TCL: Center of mass = 35.4434972337 0.256438051362 -2.18971364836 TCL: Center of mass = 35.4468324681 0.256134263511 -2.18975747996 TCL: Center of mass = 35.4501703072 0.255830267734 -2.18981632072 TCL: Center of mass = 35.4535143043 0.255527226032 -2.18988040022 TCL: Center of mass = 35.4568685171 0.255218775075 -2.18995540204 TCL: Center of mass = 35.4602324332 0.254903218651 -2.19003007362 TCL: Center of mass = 35.4635939911 0.254582082694 -2.1900963879 TCL: Center of mass = 35.4669554477 0.254254878912 -2.1901432368 TIMING: 12100 CPU: 1027.21, 0.085297/step Wall: 1256.53, 0.10456/step, 0.229451 hours remaining, 22163 kB of memory in use. ENERGY: 12100 394.5047 685.2223 417.7048 44.7308 -2821.8434 -181.2754 0.0000 0.0000 1181.2415 -279.7148 321.9213 -270.5529 -271.3787 320.0350 1377.1437 1265.7460 64000.0000 755.9960 762.9528 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 = 35.470322931 0.253926087564 -2.1901781293 TCL: Center of mass = 35.4736799719 0.253594809723 -2.19021432921 TCL: Center of mass = 35.4770381847 0.253262999499 -2.19023866934 TCL: Center of mass = 35.4804071544 0.252923895655 -2.1902713895 TCL: Center of mass = 35.4837750132 0.252595825736 -2.19030260764 TCL: Center of mass = 35.4871364569 0.252270818057 -2.19031822308 TCL: Center of mass = 35.4905043199 0.251931908635 -2.19033730455 TCL: Center of mass = 35.4938767755 0.251585967949 -2.19035775428 TCL: Center of mass = 35.4972508046 0.251233879112 -2.19038043287 TCL: Center of mass = 35.5006233071 0.250893474065 -2.19040805778 TCL: Center of mass = 35.5039997709 0.250559616083 -2.19042750198 TCL: Center of mass = 35.5073754733 0.250222795521 -2.19044008674 TCL: Center of mass = 35.5107439993 0.249888191573 -2.19046127369 TCL: Center of mass = 35.5141153843 0.24955548408 -2.19046817789 TCL: Center of mass = 35.5174858352 0.249231524324 -2.19047884238 TCL: Center of mass = 35.5208383672 0.248911650462 -2.19050078464 TCL: Center of mass = 35.5241993369 0.248577744988 -2.19052210353 TCL: Center of mass = 35.5275572356 0.248254292127 -2.19054987834 TCL: Center of mass = 35.5309096237 0.247914082753 -2.19058203307 TCL: Center of mass = 35.5342707994 0.24757059864 -2.190611973 TCL: Center of mass = 35.5376223721 0.247227896908 -2.19063268811 TCL: Center of mass = 35.5409664597 0.246879494379 -2.1906631852 TCL: Center of mass = 35.5443090801 0.246528355479 -2.19071183054 TCL: Center of mass = 35.5476488783 0.246168738759 -2.19076504021 TCL: Center of mass = 35.550986985 0.245807504372 -2.19080923936 TCL: Center of mass = 35.5543220102 0.24544979957 -2.19085468621 TCL: Center of mass = 35.5576491088 0.245090163893 -2.1909010919 TCL: Center of mass = 35.5609791296 0.244736697594 -2.19094573254 TCL: Center of mass = 35.5642977127 0.244385764387 -2.19098853047 TCL: Center of mass = 35.5676126269 0.24403529728 -2.1910315874 TCL: Center of mass = 35.570928603 0.243676147732 -2.19107527533 TCL: Center of mass = 35.5742545589 0.243330785109 -2.19112326262 TCL: Center of mass = 35.5775769834 0.242984201786 -2.19117068734 TCL: Center of mass = 35.5808974965 0.242630528923 -2.19121207654 TCL: Center of mass = 35.584217299 0.242265580007 -2.19125017104 TCL: Center of mass = 35.5875331741 0.241907256219 -2.19129098538 TCL: Center of mass = 35.5908468208 0.241555719852 -2.19133513782 TCL: Center of mass = 35.5941585721 0.241200898844 -2.1913875434 TCL: Center of mass = 35.5974689613 0.240846591927 -2.19144106693 TCL: Center of mass = 35.6007665059 0.240501456381 -2.19148921966 TCL: Center of mass = 35.6040502924 0.240154260147 -2.19153147624 TCL: Center of mass = 35.6073488079 0.239815879699 -2.1915637706 TCL: Center of mass = 35.6106442877 0.239468882032 -2.19159059848 TCL: Center of mass = 35.6139459117 0.239124476757 -2.19161547723 TCL: Center of mass = 35.617253076 0.238777409173 -2.19164824707 TCL: Center of mass = 35.6205526472 0.238430357596 -2.19168023034 TCL: Center of mass = 35.6238479939 0.238068283852 -2.19170062511 TCL: Center of mass = 35.6271394311 0.237692407715 -2.19173256702 TCL: Center of mass = 35.6304371743 0.237316869349 -2.19176790748 TCL: Center of mass = 35.6337294161 0.236930319795 -2.19180527056 TCL: Center of mass = 35.6370108513 0.236544415717 -2.19183956374 TCL: Center of mass = 35.6402850493 0.236151372933 -2.19187697257 TCL: Center of mass = 35.6435572521 0.235772835071 -2.19189649016 TCL: Center of mass = 35.6468144844 0.235395663375 -2.19191312773 TCL: Center of mass = 35.6500729565 0.23501045302 -2.19193134739 TCL: Center of mass = 35.6533417989 0.234623386002 -2.19195173977 TCL: Center of mass = 35.6566116982 0.234243894211 -2.19197429597 TCL: Center of mass = 35.6598644829 0.233869939206 -2.19199749114 TCL: Center of mass = 35.6631203653 0.233490577975 -2.19202051043 TCL: Center of mass = 35.6663767839 0.233115787121 -2.19204111804 TCL: Center of mass = 35.6696339755 0.232739795763 -2.19205212232 TCL: Center of mass = 35.6728926803 0.232369712989 -2.19205565551 TCL: Center of mass = 35.6761402015 0.232011738386 -2.19206026536 TCL: Center of mass = 35.6793936607 0.231652011489 -2.19206913583 TCL: Center of mass = 35.6826389675 0.231295664059 -2.19207350343 TCL: Center of mass = 35.685881447 0.23093682371 -2.1920820759 TCL: Center of mass = 35.689130522 0.230577792465 -2.19208508467 TCL: Center of mass = 35.6923886033 0.230217123909 -2.19209176759 TCL: Center of mass = 35.6956459364 0.229852871481 -2.19209148564 TCL: Center of mass = 35.6989245916 0.229484586371 -2.1920961915 TCL: Center of mass = 35.7021998771 0.229119826986 -2.19210645798 TCL: Center of mass = 35.7054661231 0.228748295269 -2.19212397753 TCL: Center of mass = 35.7087268283 0.228381021158 -2.19214527518 TCL: Center of mass = 35.7119988129 0.228012978783 -2.1921654938 TCL: Center of mass = 35.7152731129 0.227645578399 -2.19218277018 TCL: Center of mass = 35.7185505967 0.227265182304 -2.19220307833 TCL: Center of mass = 35.721821875 0.226867068246 -2.1922173701 TCL: Center of mass = 35.725093067 0.226488750872 -2.19223547128 TCL: Center of mass = 35.7283610445 0.226108574135 -2.1922658318 TCL: Center of mass = 35.7316240865 0.225737946929 -2.19229549138 TCL: Center of mass = 35.7348955745 0.225371078059 -2.19232415795 TCL: Center of mass = 35.7381661596 0.225000204511 -2.19235605205 TCL: Center of mass = 35.7414364349 0.22462411743 -2.1923847339 TCL: Center of mass = 35.7447077083 0.224235555094 -2.19241199837 TCL: Center of mass = 35.7479765019 0.223844829087 -2.19245765844 TCL: Center of mass = 35.7512500416 0.223457593074 -2.19249213954 TCL: Center of mass = 35.7545198936 0.223064157331 -2.19251669383 TCL: Center of mass = 35.7577783014 0.222675626819 -2.19254830201 TCL: Center of mass = 35.7610349239 0.222297091215 -2.1925784712 TCL: Center of mass = 35.764305686 0.221927186631 -2.19260584374 TCL: Center of mass = 35.7675701945 0.221564259284 -2.19263920539 TCL: Center of mass = 35.7708426884 0.221190209242 -2.19268370403 TCL: Center of mass = 35.7741157084 0.220817268977 -2.19273054062 TCL: Center of mass = 35.7773856085 0.220437561498 -2.19275974755 TCL: Center of mass = 35.7806414249 0.220063880308 -2.19279025699 TCL: Center of mass = 35.7839057491 0.219689964363 -2.19281754966 TCL: Center of mass = 35.7871718017 0.219316676706 -2.19284826395 TCL: Center of mass = 35.7904363527 0.218941699415 -2.19287649662 TCL: Center of mass = 35.7937005842 0.218569644683 -2.19289135343 TCL: Center of mass = 35.7969573628 0.218195695068 -2.19289989331 TIMING: 12200 CPU: 1035.79, 0.085817/step Wall: 1267.06, 0.105219/step, 0.227975 hours remaining, 22163 kB of memory in use. ENERGY: 12200 425.3653 684.5831 412.7565 36.5447 -2764.8224 -221.1576 0.0000 0.0000 1149.3713 -277.3590 313.2358 -268.0303 -270.0700 315.9687 646.0778 729.3635 64000.0000 696.1571 700.1304 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 = 35.8002130469 0.217825563036 -2.19291113629 TCL: Center of mass = 35.8034739189 0.217459338835 -2.1929206884 TCL: Center of mass = 35.806726982 0.217089830816 -2.19292494619 TCL: Center of mass = 35.8099696607 0.216720307763 -2.19291982821 TCL: Center of mass = 35.8132172631 0.216356661746 -2.19291473551 TCL: Center of mass = 35.8164675019 0.216005322329 -2.19291861854 TCL: Center of mass = 35.8196941214 0.215658073851 -2.19291773631 TCL: Center of mass = 35.8229253492 0.215307698005 -2.19291959317 TCL: Center of mass = 35.8261548758 0.214958624375 -2.19291774261 TCL: Center of mass = 35.8293882133 0.214616113421 -2.19291780339 TCL: Center of mass = 35.8326110893 0.214271491635 -2.1929039487 TCL: Center of mass = 35.8358348438 0.213922772299 -2.19289402143 TCL: Center of mass = 35.8390528482 0.213577486686 -2.19289078375 TCL: Center of mass = 35.8422625749 0.213237289552 -2.19289121774 TCL: Center of mass = 35.8454707115 0.21289339284 -2.19287449624 TCL: Center of mass = 35.8486878086 0.212540452764 -2.19285547452 TCL: Center of mass = 35.8519102125 0.21219590497 -2.19283538413 TCL: Center of mass = 35.8551402191 0.211855502441 -2.19282571671 TCL: Center of mass = 35.8583756008 0.211504925614 -2.19282477408 TCL: Center of mass = 35.861607034 0.211148498813 -2.19282441463 TCL: Center of mass = 35.8648507843 0.210797039327 -2.19283539204 TCL: Center of mass = 35.8681001454 0.210435720417 -2.19284234156 TCL: Center of mass = 35.8713509043 0.210075720241 -2.19286506644 TCL: Center of mass = 35.8746129991 0.209709016869 -2.192889051 TCL: Center of mass = 35.8778760207 0.209342241001 -2.19291565672 TCL: Center of mass = 35.8811568647 0.20896790325 -2.19293534603 TCL: Center of mass = 35.8844418051 0.208594955536 -2.19296087671 TCL: Center of mass = 35.8877335995 0.208222540774 -2.19298426039 TCL: Center of mass = 35.8910261859 0.20784756516 -2.19298888797 TCL: Center of mass = 35.8943183687 0.207477001378 -2.19300487035 TCL: Center of mass = 35.8976117167 0.207095244747 -2.19301134667 TCL: Center of mass = 35.9009086013 0.206712009301 -2.19301707024 TCL: Center of mass = 35.9042155521 0.206311057863 -2.19302230094 TCL: Center of mass = 35.9075154732 0.205917967685 -2.19302860855 TCL: Center of mass = 35.9108131366 0.205514282944 -2.19304109576 TCL: Center of mass = 35.9141197798 0.205114380849 -2.19305473122 TCL: Center of mass = 35.917428716 0.204719627301 -2.19306630004 TCL: Center of mass = 35.9207304596 0.204324827635 -2.19306741294 TCL: Center of mass = 35.9240180751 0.203928900345 -2.19307070214 TCL: Center of mass = 35.927310618 0.203536772349 -2.19306058581 TCL: Center of mass = 35.9305977883 0.203143534824 -2.19304209555 TCL: Center of mass = 35.9338889142 0.202752066237 -2.19303298672 TCL: Center of mass = 35.9371781858 0.202357622898 -2.19301581622 TCL: Center of mass = 35.9404719191 0.201966183741 -2.19298519023 TCL: Center of mass = 35.9437613293 0.201570190269 -2.19296587089 TCL: Center of mass = 35.9470313757 0.201171835688 -2.19295615305 TCL: Center of mass = 35.9503051935 0.200789429696 -2.1929232827 TCL: Center of mass = 35.9535801253 0.20040425617 -2.1928870245 TCL: Center of mass = 35.9568616351 0.200020283799 -2.19285538498 TCL: Center of mass = 35.9601477335 0.199635668458 -2.19283782804 TCL: Center of mass = 35.9634219168 0.1992429009 -2.19282847801 TCL: Center of mass = 35.9666977286 0.198850928196 -2.1928245631 TCL: Center of mass = 35.9699797253 0.198455700094 -2.19282821005 TCL: Center of mass = 35.9732671149 0.198069169427 -2.19282391188 TCL: Center of mass = 35.9765549025 0.197670541616 -2.19283009089 TCL: Center of mass = 35.9798481806 0.197269493319 -2.19283919227 TCL: Center of mass = 35.9831214636 0.196867949443 -2.19284276125 TCL: Center of mass = 35.9863883739 0.196472325456 -2.19284559716 TCL: Center of mass = 35.9896605526 0.196075468461 -2.19285052325 TCL: Center of mass = 35.9929263092 0.19568997643 -2.19284265397 TCL: Center of mass = 35.9961900397 0.195295964839 -2.1928191909 TCL: Center of mass = 35.9994546227 0.194901522376 -2.19280619328 TCL: Center of mass = 36.0027316885 0.194507698578 -2.19278218285 TCL: Center of mass = 36.0060045968 0.194117212269 -2.19275305621 TCL: Center of mass = 36.0092707699 0.193721530382 -2.19273028367 TCL: Center of mass = 36.0125366493 0.193326720307 -2.19271215688 TCL: Center of mass = 36.0158020132 0.192932828889 -2.19270042917 TCL: Center of mass = 36.0190671144 0.192537795017 -2.1926877255 TCL: Center of mass = 36.0223281153 0.192144253671 -2.19267280512 TCL: Center of mass = 36.0255929003 0.191757469682 -2.19266257227 TCL: Center of mass = 36.0288542796 0.191364030126 -2.19265266805 TCL: Center of mass = 36.0321233616 0.190962999489 -2.1926349075 TCL: Center of mass = 36.0353914907 0.190552415191 -2.19260914411 TCL: Center of mass = 36.0386525319 0.190136824717 -2.19257831496 TCL: Center of mass = 36.0419174546 0.189725381717 -2.19254937443 TCL: Center of mass = 36.045175742 0.189322577903 -2.1925256326 TCL: Center of mass = 36.0484313573 0.188919437729 -2.19250920252 TCL: Center of mass = 36.0516809892 0.188512754909 -2.19248887959 TCL: Center of mass = 36.0549271733 0.188088823352 -2.19248178322 TCL: Center of mass = 36.0581725238 0.18767345576 -2.19247038587 TCL: Center of mass = 36.061421864 0.187256499819 -2.19245005801 TCL: Center of mass = 36.0646587944 0.18684008945 -2.19243114337 TCL: Center of mass = 36.0678979889 0.18641885836 -2.19241070747 TCL: Center of mass = 36.0711334226 0.185998693604 -2.19239789578 TCL: Center of mass = 36.0743706954 0.185567561934 -2.19239097624 TCL: Center of mass = 36.0776152483 0.185141060899 -2.19239551701 TCL: Center of mass = 36.0808554208 0.184711821646 -2.19240820112 TCL: Center of mass = 36.0840813238 0.184281541306 -2.19242217996 TCL: Center of mass = 36.0872957253 0.183844478497 -2.19243927486 TCL: Center of mass = 36.0905004405 0.183416294114 -2.19246187591 TCL: Center of mass = 36.0937145816 0.182983539051 -2.19248096618 TCL: Center of mass = 36.0969396012 0.182556187068 -2.1924962825 TCL: Center of mass = 36.1001585376 0.182125486298 -2.19250670926 TCL: Center of mass = 36.1033830613 0.181700653101 -2.19251477871 TCL: Center of mass = 36.1066252838 0.18126976882 -2.19252350957 TCL: Center of mass = 36.1098603007 0.180831455402 -2.1925417195 TCL: Center of mass = 36.1131092576 0.180384424002 -2.19257610548 TCL: Center of mass = 36.1163641654 0.179938347977 -2.19261958287 TCL: Center of mass = 36.1196169176 0.17949000808 -2.19265658355 TCL: Center of mass = 36.1228720876 0.179041383563 -2.19269350605 TIMING: 12300 CPU: 1044.39, 0.0860269/step Wall: 1312.88, 0.458235/step, 0.980114 hours remaining, 22164 kB of memory in use. ENERGY: 12300 421.2353 738.4746 404.9221 40.7114 -2772.1311 -217.8078 0.0000 0.0000 1094.5658 -290.0298 298.2998 -280.9044 -281.8371 315.4575 808.8792 1235.6120 64000.0000 789.6969 786.9200 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 = 36.1261202922 0.178589065199 -2.192732779 TCL: Center of mass = 36.1293697687 0.178134361037 -2.1927782602 TCL: Center of mass = 36.132602265 0.177673631148 -2.19280911632 TCL: Center of mass = 36.1358450504 0.177204441495 -2.19284394165 TCL: Center of mass = 36.1390900419 0.176736951515 -2.19286697951 TCL: Center of mass = 36.142348132 0.176269271022 -2.19288937501 TCL: Center of mass = 36.1456035161 0.175806555522 -2.1929133601 TCL: Center of mass = 36.1488738172 0.175343845266 -2.19294491552 TCL: Center of mass = 36.1521541776 0.174885892576 -2.19298083235 TCL: Center of mass = 36.1554468554 0.174429472656 -2.19302096746 TCL: Center of mass = 36.1587491765 0.173969681861 -2.19306285493 TCL: Center of mass = 36.1620602577 0.173514537603 -2.19310614207 TCL: Center of mass = 36.1653569015 0.173046649057 -2.19314355898 TCL: Center of mass = 36.1686466096 0.172582422057 -2.19318132734 TCL: Center of mass = 36.1719318918 0.172110030248 -2.1932216898 TCL: Center of mass = 36.1752189704 0.171635883269 -2.1932715513 TCL: Center of mass = 36.1785220452 0.171169507396 -2.19332377748 TCL: Center of mass = 36.1818251488 0.170702919486 -2.19337755671 TCL: Center of mass = 36.1851354138 0.170236833844 -2.19342402807 TCL: Center of mass = 36.1884493482 0.169774461164 -2.19346517972 TCL: Center of mass = 36.1917593792 0.169315666403 -2.19351931599 TCL: Center of mass = 36.1950697501 0.168876533468 -2.19357151526 TCL: Center of mass = 36.198371766 0.168436038246 -2.19362093782 TCL: Center of mass = 36.2016682112 0.167998853179 -2.19366336565 TCL: Center of mass = 36.204954246 0.167557690252 -2.19370198298 TCL: Center of mass = 36.2082340803 0.167107604351 -2.19374589295 TCL: Center of mass = 36.2115277334 0.166661972453 -2.19379691672 TCL: Center of mass = 36.214836032 0.166215688621 -2.19385260194 TCL: Center of mass = 36.2181422136 0.165759367264 -2.19390495506 TCL: Center of mass = 36.2214462153 0.165296428594 -2.19396698175 TCL: Center of mass = 36.2247485374 0.164835654042 -2.19402020052 TCL: Center of mass = 36.2280459774 0.164376494752 -2.19407967632 TCL: Center of mass = 36.2313516591 0.163919479287 -2.19413787317 TCL: Center of mass = 36.2346540033 0.16347315354 -2.19418911893 TCL: Center of mass = 36.2379556935 0.163028223628 -2.19423266623 TCL: Center of mass = 36.2412625159 0.162587648512 -2.19427942674 TCL: Center of mass = 36.2445625254 0.162146822635 -2.19431588536 TCL: Center of mass = 36.2478685583 0.161698273989 -2.19435369788 TCL: Center of mass = 36.2511768969 0.161249850324 -2.19439362677 TCL: Center of mass = 36.2544753753 0.160798176459 -2.19443676297 TCL: Center of mass = 36.2577774648 0.160351411801 -2.194474757 TCL: Center of mass = 36.2610835425 0.159902108228 -2.19451263953 TCL: Center of mass = 36.2643968811 0.159454493949 -2.19454045912 TCL: Center of mass = 36.2677036454 0.15900975039 -2.19456816899 TCL: Center of mass = 36.2710084337 0.15856269523 -2.19458748555 TCL: Center of mass = 36.2743145949 0.158115680317 -2.19461848806 TCL: Center of mass = 36.2776142666 0.157662817633 -2.19465889837 TCL: Center of mass = 36.28092083 0.157207130716 -2.19469515455 TCL: Center of mass = 36.2842257225 0.156767645058 -2.19473871197 TCL: Center of mass = 36.2875437973 0.156321707184 -2.19477902074 TCL: Center of mass = 36.2908623305 0.155864374939 -2.19481464442 TCL: Center of mass = 36.2941734736 0.155408460328 -2.19484852188 TCL: Center of mass = 36.2974916181 0.154958677407 -2.19488635268 TCL: Center of mass = 36.3008204103 0.154508885503 -2.19491070146 TCL: Center of mass = 36.3041399684 0.154061480816 -2.19492497211 TCL: Center of mass = 36.3074579293 0.153617960457 -2.1949377393 TCL: Center of mass = 36.3107862905 0.153172259284 -2.19496741633 TCL: Center of mass = 36.3141139872 0.152724362258 -2.19499109779 TCL: Center of mass = 36.3174446424 0.152278824388 -2.19501132907 TCL: Center of mass = 36.32078958 0.151831882383 -2.1950275377 TCL: Center of mass = 36.324135092 0.151379532395 -2.19503347038 TCL: Center of mass = 36.3274819011 0.150929184593 -2.19504151224 TCL: Center of mass = 36.3308242902 0.150492170576 -2.19505394304 TCL: Center of mass = 36.334154487 0.150045831203 -2.19507010446 TCL: Center of mass = 36.3374744543 0.149586839366 -2.19508639936 TCL: Center of mass = 36.3407799693 0.149125404136 -2.19511113622 TCL: Center of mass = 36.344072616 0.148656130274 -2.19513584724 TCL: Center of mass = 36.3473519643 0.14818424946 -2.19515104651 TCL: Center of mass = 36.3506326047 0.147714046036 -2.19516151667 TCL: Center of mass = 36.3539129761 0.147255484081 -2.19517214911 TCL: Center of mass = 36.3572004 0.146798724219 -2.1951824237 TCL: Center of mass = 36.3604779475 0.146332492664 -2.19519281171 TCL: Center of mass = 36.3637580464 0.145874462469 -2.19520828882 TCL: Center of mass = 36.3670229588 0.145410865058 -2.19521858292 TCL: Center of mass = 36.3702847532 0.144944001512 -2.19523455245 TCL: Center of mass = 36.3735448993 0.14448063723 -2.19525707069 TCL: Center of mass = 36.3768054353 0.144000036632 -2.19527782262 TCL: Center of mass = 36.3800588144 0.143510532461 -2.19531896099 TCL: Center of mass = 36.3833150152 0.143018777198 -2.19536329265 TCL: Center of mass = 36.3865649943 0.142523622127 -2.19540405357 TCL: Center of mass = 36.3898167121 0.142022384929 -2.19545323909 TCL: Center of mass = 36.3930736015 0.141524568332 -2.19550025718 TCL: Center of mass = 36.3963371222 0.141010582927 -2.19553846881 TCL: Center of mass = 36.399608142 0.140494149605 -2.19558393235 TCL: Center of mass = 36.402874826 0.1399763438 -2.19561798306 TCL: Center of mass = 36.4061417143 0.139458657351 -2.19564559048 TCL: Center of mass = 36.4094025073 0.138930840187 -2.19566607237 TCL: Center of mass = 36.4126684672 0.138398211937 -2.19567781729 TCL: Center of mass = 36.4159392925 0.137861989484 -2.1956878243 TCL: Center of mass = 36.4192107476 0.137316174631 -2.19570252905 TCL: Center of mass = 36.4224947681 0.136759562715 -2.1957260772 TCL: Center of mass = 36.4257793221 0.136205061295 -2.19575277602 TCL: Center of mass = 36.4290558898 0.135643668407 -2.19577899619 TCL: Center of mass = 36.4323355077 0.135076977049 -2.19580805292 TCL: Center of mass = 36.4356161516 0.134508390506 -2.19582637453 TCL: Center of mass = 36.4388983984 0.133943188096 -2.19584680267 TCL: Center of mass = 36.4421843078 0.133383638856 -2.19585355994 TCL: Center of mass = 36.4454671271 0.132820156797 -2.19585433793 TCL: Center of mass = 36.4487430988 0.13225632536 -2.19585806376 TCL: Center of mass = 36.4520232453 0.131687289313 -2.19585795213 TIMING: 12400 CPU: 1053.12, 0.0872667/step Wall: 1288.09, -0.247891/step, -0.523326 hours remaining, 22165 kB of memory in use. ENERGY: 12400 407.4347 696.4526 424.8692 41.0166 -2779.2323 -217.6415 0.0000 0.0000 1141.7976 -285.3030 311.1718 -276.7833 -275.5729 313.8365 392.1270 789.9037 64000.0000 802.1503 804.4999 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 = 36.4553032444 0.131111138983 -2.19586244924 TCL: Center of mass = 36.4585873971 0.130545393741 -2.19586800123 TCL: Center of mass = 36.4618705266 0.129984716352 -2.19587538883 TCL: Center of mass = 36.4651366546 0.129431867776 -2.19587497165 TCL: Center of mass = 36.468400949 0.128882430962 -2.19587182512 TCL: Center of mass = 36.4716556833 0.128342437184 -2.19587286269 TCL: Center of mass = 36.4749160532 0.127808462736 -2.19588110322 TCL: Center of mass = 36.4781623153 0.127270651952 -2.1958972248 TCL: Center of mass = 36.4814151425 0.126738618559 -2.19590447379 TCL: Center of mass = 36.4846594953 0.12621370805 -2.19590296199 TCL: Center of mass = 36.4879083405 0.125689457089 -2.1959122973 TCL: Center of mass = 36.4911691833 0.125169795467 -2.19590833754 TCL: Center of mass = 36.4944324447 0.12465514464 -2.19590573204 TCL: Center of mass = 36.4976878821 0.124143469946 -2.19589749981 TCL: Center of mass = 36.5009358122 0.123628376665 -2.19588633033 TCL: Center of mass = 36.5041834636 0.123103377757 -2.1958729244 TCL: Center of mass = 36.5074196454 0.122584715032 -2.19586229348 TCL: Center of mass = 36.5106534918 0.122052392447 -2.1958458309 TCL: Center of mass = 36.5138887587 0.121505768483 -2.19581793599 TCL: Center of mass = 36.5171233749 0.120946100941 -2.19579223208 TCL: Center of mass = 36.5203593821 0.120382267379 -2.19576049493 TCL: Center of mass = 36.5235904304 0.119801532142 -2.19573979069 TCL: Center of mass = 36.5268283745 0.119219899562 -2.19572134501 TCL: Center of mass = 36.5300574031 0.118627328022 -2.19570386289 TCL: Center of mass = 36.5332892614 0.118025187731 -2.19568259703 TCL: Center of mass = 36.536523185 0.117433282407 -2.19565189345 TCL: Center of mass = 36.539759261 0.116835735391 -2.1956106062 TCL: Center of mass = 36.5429945143 0.116241557484 -2.19558041693 TCL: Center of mass = 36.5462278058 0.115652487814 -2.19555168127 TCL: Center of mass = 36.5494622953 0.115064972226 -2.19554088922 TCL: Center of mass = 36.5526923077 0.114477378173 -2.19553563566 TCL: Center of mass = 36.5559178655 0.113882488065 -2.19553670326 TCL: Center of mass = 36.5591514226 0.113280963802 -2.19553246058 TCL: Center of mass = 36.5623953405 0.112669968409 -2.1955295433 TCL: Center of mass = 36.5656433252 0.112057612034 -2.19552791711 TCL: Center of mass = 36.5688972608 0.111443262015 -2.19553111896 TCL: Center of mass = 36.5721555657 0.110825872747 -2.19553713822 TCL: Center of mass = 36.5754051782 0.110205963989 -2.19553405837 TCL: Center of mass = 36.5786589414 0.109588642769 -2.19551576319 TCL: Center of mass = 36.5819083273 0.10899578899 -2.19550403706 TCL: Center of mass = 36.5851763789 0.108396442543 -2.195484886 TCL: Center of mass = 36.588451633 0.107792431651 -2.19546903748 TCL: Center of mass = 36.5917302587 0.10717293968 -2.1954519617 TCL: Center of mass = 36.5950175352 0.106550469054 -2.19543248335 TCL: Center of mass = 36.5982977965 0.105923552818 -2.1954144961 TCL: Center of mass = 36.6015673857 0.105309374287 -2.19541171251 TCL: Center of mass = 36.6048283441 0.104686035283 -2.19540600291 TCL: Center of mass = 36.608087622 0.104062029568 -2.19540954864 TCL: Center of mass = 36.6113451957 0.103445376781 -2.19540986947 TCL: Center of mass = 36.6145989775 0.102830649395 -2.19540250466 TCL: Center of mass = 36.6178648159 0.102208173869 -2.19539991875 TCL: Center of mass = 36.6211237901 0.101591125272 -2.19539494029 TCL: Center of mass = 36.6243817999 0.10097000087 -2.19537754613 TCL: Center of mass = 36.6276518412 0.100347262873 -2.1953713221 TCL: Center of mass = 36.6309197713 0.0997170029239 -2.19536999495 TCL: Center of mass = 36.634194651 0.0990957029627 -2.19536740468 TCL: Center of mass = 36.6374709614 0.0984609888835 -2.19536488764 TCL: Center of mass = 36.6407471616 0.0978402018346 -2.19536677368 TCL: Center of mass = 36.6440223578 0.0972184738843 -2.19536923024 TCL: Center of mass = 36.6472925755 0.0965864482901 -2.19536855332 TCL: Center of mass = 36.6505549538 0.0959577879474 -2.1953756791 TCL: Center of mass = 36.6538074334 0.0953274805351 -2.19539394295 TCL: Center of mass = 36.6570611884 0.0946998611282 -2.19540842391 TCL: Center of mass = 36.660315433 0.0940688530561 -2.19542792332 TCL: Center of mass = 36.6635738552 0.0934461796141 -2.19544459791 TCL: Center of mass = 36.6668161573 0.092822786294 -2.19544309152 TCL: Center of mass = 36.670063746 0.0921948379015 -2.19544971777 TCL: Center of mass = 36.6733146471 0.091567951436 -2.19544400848 TCL: Center of mass = 36.6765571744 0.0909423109689 -2.1954362547 TCL: Center of mass = 36.6798025803 0.0903243869743 -2.19542991877 TCL: Center of mass = 36.6830648666 0.0897158936886 -2.19541949345 TCL: Center of mass = 36.6863271407 0.0891083184557 -2.19540233204 TCL: Center of mass = 36.6895852718 0.0884977122151 -2.19537921515 TCL: Center of mass = 36.6928407203 0.0878697462684 -2.19534918501 TCL: Center of mass = 36.6960909104 0.0872359608666 -2.19531852733 TCL: Center of mass = 36.6993357248 0.0866035192563 -2.19528949312 TCL: Center of mass = 36.7025667002 0.0859658809355 -2.19528099195 TCL: Center of mass = 36.7058088253 0.0853340047453 -2.19527379299 TCL: Center of mass = 36.7090528657 0.0846938905117 -2.19525272062 TCL: Center of mass = 36.7122913552 0.0840647074033 -2.19524079874 TCL: Center of mass = 36.7155278444 0.0834279335641 -2.1952282941 TCL: Center of mass = 36.7187691534 0.0827790384051 -2.19522138585 TCL: Center of mass = 36.7220146153 0.0821374316693 -2.19521137904 TCL: Center of mass = 36.7252580721 0.0814958958489 -2.19519752318 TCL: Center of mass = 36.7284912174 0.0808566908727 -2.19518279558 TCL: Center of mass = 36.7317295997 0.0802130887146 -2.19516512219 TCL: Center of mass = 36.7349719366 0.0795701409264 -2.19516234457 TCL: Center of mass = 36.7382122185 0.0789304636318 -2.1951661722 TCL: Center of mass = 36.7414590483 0.0782929961149 -2.19517733573 TCL: Center of mass = 36.7446941272 0.0776561199055 -2.19518874265 TCL: Center of mass = 36.7479247248 0.0770119875427 -2.19519094434 TCL: Center of mass = 36.7511548862 0.0763604537692 -2.19518154406 TCL: Center of mass = 36.7544001385 0.0757031116025 -2.19517406433 TCL: Center of mass = 36.7576380267 0.0750531537546 -2.19515021985 TCL: Center of mass = 36.7608615614 0.0743962325646 -2.19512480988 TCL: Center of mass = 36.7640759139 0.0737397073906 -2.19510085821 TCL: Center of mass = 36.7672930061 0.0730948904717 -2.19506890353 TCL: Center of mass = 36.7705226254 0.0724430122073 -2.19503561168 TCL: Center of mass = 36.773745239 0.0717924686212 -2.19501376132 TCL: Center of mass = 36.7769599248 0.0711431729564 -2.19500258146 TIMING: 12500 CPU: 1061.7, 0.085757/step Wall: 1298.61, 0.105209/step, 0.219186 hours remaining, 22165 kB of memory in use. ENERGY: 12500 406.1364 712.1361 417.5733 36.0524 -2759.0776 -228.3392 0.0000 0.0000 1132.2460 -283.2726 308.5687 -274.3621 -274.9178 313.2539 523.8808 566.6142 64000.0000 794.6218 787.3795 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 = 36.7801786408 0.0705019519509 -2.19498602677 TCL: Center of mass = 36.7834023973 0.0698763143922 -2.19497860595 TCL: Center of mass = 36.7866275973 0.0692518355166 -2.19497482026 TCL: Center of mass = 36.7898516128 0.0686217100211 -2.19495737074 TCL: Center of mass = 36.7930900588 0.0680022783148 -2.1949290211 TCL: Center of mass = 36.7963351748 0.0673933147921 -2.19489420378 TCL: Center of mass = 36.7995775176 0.0667977849973 -2.19485626611 TCL: Center of mass = 36.8028220087 0.0661988860963 -2.19481148953 TCL: Center of mass = 36.8060802771 0.0656027096937 -2.19476166687 TCL: Center of mass = 36.8093293293 0.0650063281124 -2.19469580542 TCL: Center of mass = 36.8125814841 0.0644163127299 -2.19461558985 TCL: Center of mass = 36.8158376151 0.0638316030218 -2.19454993753 TCL: Center of mass = 36.8190922243 0.0632435584946 -2.19451264451 TCL: Center of mass = 36.8223390116 0.0626539319671 -2.19446583888 TCL: Center of mass = 36.8255893567 0.0620574011233 -2.19442439353 TCL: Center of mass = 36.8288434652 0.0614569756928 -2.1943832688 TCL: Center of mass = 36.8321133531 0.0608647378065 -2.19432781999 TCL: Center of mass = 36.8353954486 0.0602671006791 -2.19427405973 TCL: Center of mass = 36.8386752075 0.0596565802 -2.1942142045 TCL: Center of mass = 36.8419504628 0.0590465016563 -2.1941543898 TCL: Center of mass = 36.8452174895 0.0584388685605 -2.19409581465 TCL: Center of mass = 36.8484896037 0.0578140641024 -2.19403525314 TCL: Center of mass = 36.8517649096 0.0571925500348 -2.19396956834 TCL: Center of mass = 36.8550318794 0.0565557779637 -2.19390297645 TCL: Center of mass = 36.8583004822 0.0559119875104 -2.19384457289 TCL: Center of mass = 36.8615738615 0.0552650740669 -2.19378401513 TCL: Center of mass = 36.8648418979 0.054625012158 -2.19372560995 TCL: Center of mass = 36.8681025486 0.0539870591072 -2.19366860065 TCL: Center of mass = 36.8713497696 0.053359509517 -2.19361449005 TCL: Center of mass = 36.8745907433 0.0527269893216 -2.19354854434 TCL: Center of mass = 36.8778232306 0.0521063991573 -2.19347934684 TCL: Center of mass = 36.8810443807 0.0514824444584 -2.19341625929 TCL: Center of mass = 36.8842648356 0.0508680949705 -2.19336721031 TCL: Center of mass = 36.8874961915 0.0502587527671 -2.19333059697 TCL: Center of mass = 36.8907265684 0.0496503285576 -2.1932878165 TCL: Center of mass = 36.8939537261 0.0490483041788 -2.19325186828 TCL: Center of mass = 36.8971765185 0.0484495413705 -2.19322528882 TCL: Center of mass = 36.9003912677 0.0478368137666 -2.19319871341 TCL: Center of mass = 36.9036066843 0.0472310285792 -2.19317565512 TCL: Center of mass = 36.9068221906 0.0466275835466 -2.19315191866 TCL: Center of mass = 36.9100374604 0.0460284677412 -2.19312536632 TCL: Center of mass = 36.9132535241 0.0454302047323 -2.19309733437 TCL: Center of mass = 36.9164642376 0.0448265211927 -2.19307236888 TCL: Center of mass = 36.9196667403 0.0442319464037 -2.19304378946 TCL: Center of mass = 36.9228684453 0.0436519356567 -2.19301301643 TCL: Center of mass = 36.9260761672 0.0430730163381 -2.19297218824 TCL: Center of mass = 36.9292945214 0.0424928563637 -2.19292932179 TCL: Center of mass = 36.9325205752 0.0419126255947 -2.19288129092 TCL: Center of mass = 36.9357504786 0.0413382232505 -2.19282973618 TCL: Center of mass = 36.93897567 0.040759596625 -2.19277094725 TCL: Center of mass = 36.9422051304 0.0401856783668 -2.19272870943 TCL: Center of mass = 36.945436227 0.0396130516913 -2.19269465803 TCL: Center of mass = 36.9486753252 0.0390511642883 -2.19266145853 TCL: Center of mass = 36.9519191466 0.038487849693 -2.19262525603 TCL: Center of mass = 36.9551687876 0.0379258567341 -2.1925733822 TCL: Center of mass = 36.9584213153 0.037365503677 -2.19251424261 TCL: Center of mass = 36.9616750979 0.0367994863723 -2.19245145298 TCL: Center of mass = 36.9649400089 0.0362319029125 -2.19238598832 TCL: Center of mass = 36.9682096001 0.0356610503115 -2.19232159053 TCL: Center of mass = 36.9714770365 0.0350934530686 -2.19225955066 TCL: Center of mass = 36.9747330349 0.0345339028094 -2.19219608914 TCL: Center of mass = 36.9779902735 0.0339692735923 -2.19213826238 TCL: Center of mass = 36.9812469698 0.0334007768857 -2.19207810464 TCL: Center of mass = 36.9845055524 0.0328209290767 -2.19200766824 TCL: Center of mass = 36.9877611066 0.0322360567789 -2.19193507845 TCL: Center of mass = 36.9910176993 0.0316509632968 -2.19186113017 TCL: Center of mass = 36.9942742421 0.0310697844403 -2.19180226226 TCL: Center of mass = 36.9975245649 0.0304983262561 -2.19174780312 TCL: Center of mass = 37.0007688367 0.029926534021 -2.19169033566 TCL: Center of mass = 37.0040188194 0.0293441035012 -2.19163493957 TCL: Center of mass = 37.0072711284 0.02875950484 -2.19158612525 TCL: Center of mass = 37.0105287081 0.0281735035951 -2.19153799079 TCL: Center of mass = 37.0137887561 0.0275836867796 -2.19148898729 TCL: Center of mass = 37.0170570244 0.027000589104 -2.19144170092 TCL: Center of mass = 37.0203218122 0.0264207204606 -2.19140023047 TCL: Center of mass = 37.0235834802 0.0258340061471 -2.19133509832 TCL: Center of mass = 37.0268490857 0.0252414610868 -2.19127788732 TCL: Center of mass = 37.0301176878 0.024655662812 -2.19123312454 TCL: Center of mass = 37.0333851085 0.0240731043241 -2.19117668586 TCL: Center of mass = 37.0366661108 0.0234823454279 -2.19112664448 TCL: Center of mass = 37.0399493581 0.0228868543533 -2.19108392916 TCL: Center of mass = 37.04324575 0.0222875084024 -2.19103157852 TCL: Center of mass = 37.0465393939 0.0216804587812 -2.19098543173 TCL: Center of mass = 37.0498231274 0.0210871641561 -2.19094047678 TCL: Center of mass = 37.053105946 0.0205071529879 -2.1908955721 TCL: Center of mass = 37.0563968884 0.0199351165286 -2.19085194473 TCL: Center of mass = 37.0596909541 0.0193581333344 -2.19081394184 TCL: Center of mass = 37.062983665 0.0187842239141 -2.19079367227 TCL: Center of mass = 37.0662792532 0.0182051778491 -2.19077079699 TCL: Center of mass = 37.0695635482 0.0176286177591 -2.19075427713 TCL: Center of mass = 37.0728571681 0.0170451556129 -2.19073769159 TCL: Center of mass = 37.0761446869 0.0164670511579 -2.19072883978 TCL: Center of mass = 37.0794427438 0.0158920466295 -2.19072153392 TCL: Center of mass = 37.0827394343 0.0153190260601 -2.19072398919 TCL: Center of mass = 37.0860354407 0.0147376111947 -2.190726693 TCL: Center of mass = 37.0893273871 0.0141568295674 -2.19072274166 TCL: Center of mass = 37.0926191313 0.0135835187238 -2.19070984987 TCL: Center of mass = 37.0959195796 0.0130022302983 -2.19069469565 TCL: Center of mass = 37.0992146889 0.0124233310563 -2.1906854512 TCL: Center of mass = 37.1025088852 0.0118363964209 -2.19067265098 TIMING: 12600 CPU: 1070.23, 0.085307/step Wall: 1309.07, 0.104593/step, 0.214997 hours remaining, 22165 kB of memory in use. ENERGY: 12600 400.4930 708.7211 409.6691 38.7141 -2811.1629 -175.5856 0.0000 0.0000 1149.5547 -279.5965 313.2858 -270.2187 -272.4037 315.6206 790.0789 937.6208 64000.0000 783.2642 772.6171 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 = 37.1058034745 0.011254361734 -2.1906542093 TCL: Center of mass = 37.1090969575 0.0106857696866 -2.19064147317 TCL: Center of mass = 37.1123780845 0.0101222417409 -2.1906373322 TCL: Center of mass = 37.1156609407 0.00956207137494 -2.19064062117 TCL: Center of mass = 37.1189394352 0.00901167732964 -2.190643584 TCL: Center of mass = 37.1222154628 0.00847312168167 -2.19064786481 TCL: Center of mass = 37.1254926114 0.00793355700715 -2.19065698515 TCL: Center of mass = 37.128784365 0.0074040011854 -2.1906637691 TCL: Center of mass = 37.1320752675 0.00688329851797 -2.19066243877 TCL: Center of mass = 37.1353583119 0.00636931548807 -2.19067221967 TCL: Center of mass = 37.1386353112 0.00585212995385 -2.19068073609 TCL: Center of mass = 37.141911167 0.0053369645956 -2.19067652281 TCL: Center of mass = 37.1451972245 0.00482819600346 -2.19067294187 TCL: Center of mass = 37.1484798009 0.00432520236924 -2.19066506341 TCL: Center of mass = 37.151749439 0.00382113246007 -2.19065090317 TCL: Center of mass = 37.155006547 0.00331989227238 -2.19062999205 TCL: Center of mass = 37.1582506267 0.00281278154119 -2.19060935002 TCL: Center of mass = 37.1614953076 0.00230887643416 -2.19057105177 TCL: Center of mass = 37.1647286632 0.00181312858535 -2.19053536016 TCL: Center of mass = 37.1679583907 0.00132044332307 -2.19049272176 TCL: Center of mass = 37.1711944434 0.000831205115555 -2.19045341859 TCL: Center of mass = 37.1744326377 0.000336645349394 -2.19042122534 TCL: Center of mass = 37.1776779652 -0.000149536837549 -2.19039914917 TCL: Center of mass = 37.1809154836 -0.000639821381633 -2.19037239415 TCL: Center of mass = 37.1841377008 -0.00112993683093 -2.19034553624 TCL: Center of mass = 37.1873542253 -0.00162263555412 -2.1903149889 TCL: Center of mass = 37.1905608664 -0.00211528146521 -2.19029577462 TCL: Center of mass = 37.1937693922 -0.00261523335289 -2.19028357523 TCL: Center of mass = 37.1969763448 -0.00311974090851 -2.19026488308 TCL: Center of mass = 37.2001785559 -0.00362244020978 -2.19025051036 TCL: Center of mass = 37.2033887677 -0.00412470011333 -2.19024336679 TCL: Center of mass = 37.2066057477 -0.00462935835772 -2.19024090892 TCL: Center of mass = 37.2098220917 -0.00513147316374 -2.19023644847 TCL: Center of mass = 37.2130316106 -0.00562298074062 -2.19023158334 TCL: Center of mass = 37.2162337619 -0.00611099284812 -2.19024094639 TCL: Center of mass = 37.219441982 -0.00659441853886 -2.19025392587 TCL: Center of mass = 37.2226466697 -0.0070723032274 -2.19026374838 TCL: Center of mass = 37.2258447507 -0.00755741437997 -2.1902697034 TCL: Center of mass = 37.2290375152 -0.00805225089885 -2.19027754089 TCL: Center of mass = 37.2322318878 -0.00855305891015 -2.19027401936 TCL: Center of mass = 37.2354222785 -0.00905914313399 -2.19026518245 TCL: Center of mass = 37.2386250485 -0.00957085519741 -2.19025661346 TCL: Center of mass = 37.2418240044 -0.0100811473383 -2.19024212612 TCL: Center of mass = 37.2450178509 -0.010591909254 -2.19022309583 TCL: Center of mass = 37.2482085363 -0.0110991712939 -2.19020416052 TCL: Center of mass = 37.2514056765 -0.0116085663228 -2.1901773737 TCL: Center of mass = 37.2546135838 -0.0121128824901 -2.19014943181 TCL: Center of mass = 37.2578185674 -0.0126188465113 -2.19014494015 TCL: Center of mass = 37.2610207845 -0.0131276411753 -2.19013135821 TCL: Center of mass = 37.2642240182 -0.0136298333024 -2.19012125253 TCL: Center of mass = 37.2674167212 -0.0141298361695 -2.19010914127 TCL: Center of mass = 37.270600829 -0.0146346950088 -2.19009415892 TCL: Center of mass = 37.273793879 -0.0151567303043 -2.19007947989 TCL: Center of mass = 37.2769989648 -0.0156830923656 -2.19006909416 TCL: Center of mass = 37.2802035227 -0.0162146634799 -2.19005738257 TCL: Center of mass = 37.2834094036 -0.016749239235 -2.19004050383 TCL: Center of mass = 37.2866185874 -0.0172776111836 -2.19002172396 TCL: Center of mass = 37.2898209768 -0.0177974285389 -2.19000121446 TCL: Center of mass = 37.2930356881 -0.0183195566009 -2.18997619825 TCL: Center of mass = 37.2962589136 -0.0188436331001 -2.18993806513 TCL: Center of mass = 37.2994942495 -0.0193658349061 -2.18990256106 TCL: Center of mass = 37.3027203274 -0.0199019369333 -2.18986604133 TCL: Center of mass = 37.3059428812 -0.0204421185593 -2.18983932886 TCL: Center of mass = 37.3091712301 -0.0209833296517 -2.18981145836 TCL: Center of mass = 37.3123960186 -0.0215229800825 -2.18978273983 TCL: Center of mass = 37.3156218089 -0.0220554920947 -2.18973995255 TCL: Center of mass = 37.3188559763 -0.022591490277 -2.18970017743 TCL: Center of mass = 37.3220785711 -0.0231210810769 -2.18967050773 TCL: Center of mass = 37.325294375 -0.0236450995912 -2.1896269116 TCL: Center of mass = 37.3285063567 -0.0241663882568 -2.18958160547 TCL: Center of mass = 37.3317118789 -0.024687324841 -2.18953129826 TCL: Center of mass = 37.3349107242 -0.0251959235584 -2.18948738179 TCL: Center of mass = 37.3381094978 -0.0256878821002 -2.18944110226 TCL: Center of mass = 37.3413183763 -0.0261740874389 -2.18939083113 TCL: Center of mass = 37.3445226833 -0.0266572471931 -2.18934341294 TCL: Center of mass = 37.3477166421 -0.0271442736621 -2.18930011525 TCL: Center of mass = 37.3509122157 -0.0276286529716 -2.18926409943 TCL: Center of mass = 37.3541027004 -0.028123080038 -2.1892253688 TCL: Center of mass = 37.3573009445 -0.0286120167971 -2.18919005417 TCL: Center of mass = 37.3605039924 -0.0291079147353 -2.18915537251 TCL: Center of mass = 37.3637030031 -0.02959850091 -2.18913269515 TCL: Center of mass = 37.3669032046 -0.0300886658875 -2.1891196787 TCL: Center of mass = 37.3701015997 -0.030580885179 -2.18910434599 TCL: Center of mass = 37.3733005793 -0.0310772087628 -2.189087603 TCL: Center of mass = 37.3765021383 -0.0315746011705 -2.18906548695 TCL: Center of mass = 37.379706341 -0.032053843499 -2.18902331094 TCL: Center of mass = 37.3829186293 -0.0325303452743 -2.18898244875 TCL: Center of mass = 37.3861318474 -0.0330037969372 -2.1889465483 TCL: Center of mass = 37.3893503561 -0.033477906407 -2.18891008658 TCL: Center of mass = 37.3925713492 -0.0339571765476 -2.18887412511 TCL: Center of mass = 37.3957947223 -0.0344399135071 -2.18883884607 TCL: Center of mass = 37.3990137658 -0.0349204457703 -2.18880503629 TCL: Center of mass = 37.402243789 -0.0353868702921 -2.18875692503 TCL: Center of mass = 37.4054795714 -0.0358521938549 -2.18871847329 TCL: Center of mass = 37.408731324 -0.0363244306754 -2.18868527602 TCL: Center of mass = 37.4119875542 -0.0367929804004 -2.18864738937 TCL: Center of mass = 37.4152561635 -0.0372572020635 -2.18861165592 TCL: Center of mass = 37.4185151026 -0.0377285126517 -2.18857888315 TCL: Center of mass = 37.4217719944 -0.0382043523405 -2.1885399634 TCL: Center of mass = 37.4250152648 -0.0386867830008 -2.18849284481 TIMING: 12700 CPU: 1078.82, 0.0859769/step Wall: 1319.71, 0.106378/step, 0.215712 hours remaining, 22165 kB of memory in use. ENERGY: 12700 406.2401 679.3006 409.1298 48.7697 -2779.5317 -219.5169 0.0000 0.0000 1181.7423 -273.8661 322.0578 -265.5676 -263.5335 315.3460 1003.5522 1015.0137 64000.0000 1108.2205 1108.3535 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 = 37.4282668107 -0.0391637510008 -2.18844633424 TCL: Center of mass = 37.4315086269 -0.0396369061205 -2.18840007917 TCL: Center of mass = 37.434747635 -0.0401124647354 -2.18836000778 TCL: Center of mass = 37.4379943219 -0.0405914445939 -2.1883238413 TCL: Center of mass = 37.4412431843 -0.0410636150821 -2.18828970592 TCL: Center of mass = 37.4445011068 -0.0415374690072 -2.18825590468 TCL: Center of mass = 37.4477457447 -0.0420109733628 -2.18822889581 TCL: Center of mass = 37.4509917812 -0.0424829890594 -2.18819726058 TCL: Center of mass = 37.4542271885 -0.0429616395681 -2.18816520807 TCL: Center of mass = 37.4574730076 -0.0434435182371 -2.18812252545 TCL: Center of mass = 37.4607261772 -0.0439129395097 -2.18807081395 TCL: Center of mass = 37.4639899092 -0.0443786584327 -2.18802279187 TCL: Center of mass = 37.4672513272 -0.0448530645628 -2.18796646747 TCL: Center of mass = 37.4705058631 -0.0453273728081 -2.18791030062 TCL: Center of mass = 37.4737708211 -0.0458016759445 -2.18785997604 TCL: Center of mass = 37.477033129 -0.0462757566678 -2.18780781455 TCL: Center of mass = 37.4802962746 -0.0467566137718 -2.18775836792 TCL: Center of mass = 37.483554927 -0.0472392460851 -2.18769771242 TCL: Center of mass = 37.4868109512 -0.0477200746389 -2.18763683621 TCL: Center of mass = 37.4900614062 -0.0482090820279 -2.18757751495 TCL: Center of mass = 37.4933105595 -0.0486838433901 -2.18752485895 TCL: Center of mass = 37.4965621583 -0.0491666498318 -2.1874735315 TCL: Center of mass = 37.4998101757 -0.0496433647425 -2.18741518821 TCL: Center of mass = 37.50306228 -0.0501073261587 -2.18735818195 TCL: Center of mass = 37.5063117696 -0.0505761814262 -2.18730206343 TCL: Center of mass = 37.5095624983 -0.0510428213727 -2.18723246962 TCL: Center of mass = 37.5128093045 -0.0515147166289 -2.18718363348 TCL: Center of mass = 37.5160511689 -0.0519837159742 -2.1871309377 TCL: Center of mass = 37.5192881601 -0.0524541227573 -2.18707157298 TCL: Center of mass = 37.5225267534 -0.052919576311 -2.18701313906 TCL: Center of mass = 37.5257597336 -0.0533949380594 -2.1869448394 TCL: Center of mass = 37.5289858245 -0.053872840852 -2.18686512401 TCL: Center of mass = 37.532199869 -0.0543522500833 -2.18677337678 TCL: Center of mass = 37.5354076095 -0.0548535946675 -2.18667699702 TCL: Center of mass = 37.538627132 -0.0553520161087 -2.1865671078 TCL: Center of mass = 37.5418639953 -0.055852109011 -2.18646076489 TCL: Center of mass = 37.5451061669 -0.0563436862251 -2.18635208841 TCL: Center of mass = 37.5483438162 -0.056820225831 -2.18624844378 TCL: Center of mass = 37.5515790001 -0.0572954235562 -2.18614334277 TCL: Center of mass = 37.5548081661 -0.0577735822104 -2.18603985043 TCL: Center of mass = 37.5580302999 -0.0582625100288 -2.1859390051 TCL: Center of mass = 37.5612436391 -0.0587482496683 -2.18583680385 TCL: Center of mass = 37.5644571237 -0.0592314262562 -2.18572904722 TCL: Center of mass = 37.5676647324 -0.0597052705757 -2.18561874172 TCL: Center of mass = 37.5708752222 -0.0601700432738 -2.18550810095 TCL: Center of mass = 37.5740853931 -0.0606382080027 -2.18540033382 TCL: Center of mass = 37.5772978351 -0.061107708107 -2.18529631158 TCL: Center of mass = 37.5805125047 -0.0615685974907 -2.1851950653 TCL: Center of mass = 37.5837186249 -0.0620304944412 -2.18510126472 TCL: Center of mass = 37.5869079598 -0.0624868836836 -2.18500116208 TCL: Center of mass = 37.5900918957 -0.0629367521638 -2.18489496407 TCL: Center of mass = 37.5932723265 -0.0633801616285 -2.18479482647 TCL: Center of mass = 37.5964433561 -0.0638311496197 -2.18469574599 TCL: Center of mass = 37.5996169029 -0.0642771845693 -2.18458693136 TCL: Center of mass = 37.6027888169 -0.0647188912442 -2.18447652886 TCL: Center of mass = 37.6059577702 -0.0651752094386 -2.18437584569 TCL: Center of mass = 37.6091194608 -0.0656259768747 -2.18426822333 TCL: Center of mass = 37.6122879196 -0.0660739523294 -2.18416505407 TCL: Center of mass = 37.6154577027 -0.066519254209 -2.18406043907 TCL: Center of mass = 37.6186111142 -0.0669608530871 -2.18396379087 TCL: Center of mass = 37.6217682373 -0.0674015864801 -2.18386165856 TCL: Center of mass = 37.6249279806 -0.0678519336821 -2.18375960231 TCL: Center of mass = 37.6280949313 -0.0683034002341 -2.18365572984 TCL: Center of mass = 37.6312611654 -0.0687526321404 -2.18355407209 TCL: Center of mass = 37.6344184706 -0.0692037042398 -2.18345988614 TCL: Center of mass = 37.6375647362 -0.0696444748349 -2.18338045509 TCL: Center of mass = 37.6407262028 -0.0700959921779 -2.18329582149 TCL: Center of mass = 37.643881169 -0.070547059794 -2.18320775622 TCL: Center of mass = 37.6470469924 -0.0710006713649 -2.18310946084 TCL: Center of mass = 37.6502099851 -0.0714607210983 -2.18302132584 TCL: Center of mass = 37.653372706 -0.0719184777466 -2.18294337102 TCL: Center of mass = 37.656540956 -0.0723865029937 -2.18286062528 TCL: Center of mass = 37.6597128619 -0.0728552042885 -2.18277482851 TCL: Center of mass = 37.6628922682 -0.0733258676905 -2.1826787456 TCL: Center of mass = 37.6660701441 -0.0737922517103 -2.18258958929 TCL: Center of mass = 37.6692499082 -0.0742501613538 -2.18250062832 TCL: Center of mass = 37.6724347694 -0.0747109438482 -2.18240361682 TCL: Center of mass = 37.6756230323 -0.0751753074686 -2.18230601782 TCL: Center of mass = 37.6788058026 -0.0756413106922 -2.18219826639 TCL: Center of mass = 37.6819853649 -0.0760963353088 -2.18209471512 TCL: Center of mass = 37.6851640462 -0.0765576347817 -2.18199266936 TCL: Center of mass = 37.6883381976 -0.0770222778277 -2.18189007896 TCL: Center of mass = 37.691509275 -0.0774810418851 -2.18180102013 TCL: Center of mass = 37.6946716424 -0.0779370694362 -2.18170300902 TCL: Center of mass = 37.6978330861 -0.0783840261503 -2.18160797166 TCL: Center of mass = 37.700989117 -0.0788270702753 -2.18151354175 TCL: Center of mass = 37.7041366505 -0.0792683553915 -2.18141401461 TCL: Center of mass = 37.7072860688 -0.0797070441024 -2.18132842094 TCL: Center of mass = 37.7104385517 -0.0801456477627 -2.1812391199 TCL: Center of mass = 37.7135969692 -0.0805722215679 -2.18114135893 TCL: Center of mass = 37.7167518892 -0.0810076108049 -2.18104379488 TCL: Center of mass = 37.7199087091 -0.0814480525407 -2.18094776189 TCL: Center of mass = 37.723081235 -0.0818812930043 -2.18084602174 TCL: Center of mass = 37.7262588483 -0.0823120391302 -2.18073935411 TCL: Center of mass = 37.7294314264 -0.0827377535392 -2.18062939082 TCL: Center of mass = 37.7326074231 -0.0831729359469 -2.18052499609 TCL: Center of mass = 37.7357880953 -0.0836085453631 -2.18042124304 TCL: Center of mass = 37.7389644942 -0.084035413187 -2.18031988272 TCL: Center of mass = 37.7421518154 -0.0844777826252 -2.18021352471 TCL: Center of mass = 37.7453417807 -0.0849176229917 -2.18010250589 TIMING: 12800 CPU: 1087.35, 0.0852271/step Wall: 1330.16, 0.104549/step, 0.209098 hours remaining, 22165 kB of memory in use. ENERGY: 12800 394.4069 683.2896 427.7874 44.5150 -2811.2339 -189.8471 0.0000 0.0000 1157.9112 -293.1708 315.5632 -284.2521 -284.6271 317.1904 1259.3257 1162.9242 64000.0000 901.8499 911.2163 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 = 37.7485312174 -0.085347854008 -2.17999112058 TCL: Center of mass = 37.7517380604 -0.0857795703586 -2.17988098323 TCL: Center of mass = 37.7549404002 -0.0862038839816 -2.17977431091 TCL: Center of mass = 37.7581410277 -0.0866280808641 -2.17967330133 TCL: Center of mass = 37.7613480082 -0.0870530283435 -2.17956666484 TCL: Center of mass = 37.7645463309 -0.0874786983261 -2.17944669828 TCL: Center of mass = 37.7677541029 -0.0879009914491 -2.17932628423 TCL: Center of mass = 37.770965702 -0.0883287886523 -2.17920619687 TCL: Center of mass = 37.77417034 -0.0887541862795 -2.17907573402 TCL: Center of mass = 37.7773660015 -0.0891621075826 -2.17895129403 TCL: Center of mass = 37.7805629505 -0.0895710399877 -2.17881975462 TCL: Center of mass = 37.7837649802 -0.0899781494237 -2.17868629751 TCL: Center of mass = 37.7869715757 -0.0903939273068 -2.17855115942 TCL: Center of mass = 37.7901790116 -0.0908042255478 -2.17840911496 TCL: Center of mass = 37.7933761163 -0.0912199628038 -2.1782728982 TCL: Center of mass = 37.7965826442 -0.0916320165734 -2.17812073587 TCL: Center of mass = 37.7997798145 -0.0920466793745 -2.17796695151 TCL: Center of mass = 37.8029716473 -0.0924734167483 -2.17780981884 TCL: Center of mass = 37.8061594762 -0.0929016643542 -2.17764866562 TCL: Center of mass = 37.8093450529 -0.0933445119784 -2.17749652568 TCL: Center of mass = 37.8125194466 -0.0937941416157 -2.17733816679 TCL: Center of mass = 37.8156918624 -0.094247945472 -2.17718032535 TCL: Center of mass = 37.8188673692 -0.0947067534356 -2.17702374145 TCL: Center of mass = 37.8220430611 -0.0951693324401 -2.17685325157 TCL: Center of mass = 37.8252302647 -0.0956383922512 -2.17669056344 TCL: Center of mass = 37.8284188928 -0.0961098991068 -2.17653425968 TCL: Center of mass = 37.8315904255 -0.0965840450778 -2.17636948045 TCL: Center of mass = 37.8347652195 -0.0970562690641 -2.17619426584 TCL: Center of mass = 37.8379385837 -0.0975303962268 -2.17601267913 TCL: Center of mass = 37.8411260973 -0.0980036332525 -2.17582394276 TCL: Center of mass = 37.8443122645 -0.098473290185 -2.17562957168 TCL: Center of mass = 37.8474935011 -0.0989472651269 -2.17543862096 TCL: Center of mass = 37.8506803425 -0.0994304734842 -2.17524879775 TCL: Center of mass = 37.8538656039 -0.099920609732 -2.17505172175 TCL: Center of mass = 37.8570510723 -0.100408632677 -2.17486615583 TCL: Center of mass = 37.8602393096 -0.100890894818 -2.17469899603 TCL: Center of mass = 37.8634336975 -0.101364195345 -2.17453488661 TCL: Center of mass = 37.8666329177 -0.101839539365 -2.17436289731 TCL: Center of mass = 37.8698240479 -0.102316889908 -2.17417724841 TCL: Center of mass = 37.8730047958 -0.10280790419 -2.1739797433 TCL: Center of mass = 37.8761913807 -0.103296938277 -2.17377648241 TCL: Center of mass = 37.8793726926 -0.103789468593 -2.17357037998 TCL: Center of mass = 37.8825632037 -0.104278412119 -2.17335893757 TCL: Center of mass = 37.8857620388 -0.104757362284 -2.17315200325 TCL: Center of mass = 37.8889575365 -0.105237247517 -2.1729550025 TCL: Center of mass = 37.8921585121 -0.105722679177 -2.17275254001 TCL: Center of mass = 37.8953573447 -0.10619778755 -2.17255673461 TCL: Center of mass = 37.8985539414 -0.106673072695 -2.17236840163 TCL: Center of mass = 37.9017459499 -0.107150200986 -2.17216933883 TCL: Center of mass = 37.9049323676 -0.10761882199 -2.17197288304 TCL: Center of mass = 37.9081096556 -0.108092426279 -2.1717876087 TCL: Center of mass = 37.9112813967 -0.10856701025 -2.17160124876 TCL: Center of mass = 37.9144534301 -0.109049937859 -2.17140954317 TCL: Center of mass = 37.917626334 -0.109537177975 -2.17121277988 TCL: Center of mass = 37.9208119595 -0.11002965654 -2.17100630747 TCL: Center of mass = 37.9239928092 -0.110522119088 -2.17079891349 TCL: Center of mass = 37.9271712921 -0.111018337343 -2.17058834892 TCL: Center of mass = 37.9303518649 -0.111508109939 -2.17037753082 TCL: Center of mass = 37.9335333143 -0.112016308468 -2.17015680928 TCL: Center of mass = 37.9367081689 -0.112535548706 -2.16993794785 TCL: Center of mass = 37.9398879487 -0.113057319055 -2.16971303313 TCL: Center of mass = 37.9430737956 -0.113579679274 -2.16948623655 TCL: Center of mass = 37.9462532093 -0.114103118564 -2.16926707793 TCL: Center of mass = 37.9494332427 -0.114629994396 -2.1690418415 TCL: Center of mass = 37.9526107652 -0.115150316587 -2.16880844974 TCL: Center of mass = 37.9557920217 -0.115674180556 -2.16857954313 TCL: Center of mass = 37.9589765464 -0.116192237489 -2.16833466679 TCL: Center of mass = 37.9621533992 -0.116700062886 -2.16809776029 TCL: Center of mass = 37.9653371519 -0.117208670416 -2.16786173221 TCL: Center of mass = 37.9685194504 -0.117718045337 -2.16763435302 TCL: Center of mass = 37.9716935688 -0.118235544177 -2.16740408467 TCL: Center of mass = 37.9748636034 -0.118758493203 -2.16717981912 TCL: Center of mass = 37.9780323439 -0.119291082771 -2.16695152923 TCL: Center of mass = 37.9812032462 -0.119830171187 -2.16671691526 TCL: Center of mass = 37.9843718358 -0.120359164725 -2.16649044927 TCL: Center of mass = 37.987535619 -0.120889218001 -2.16625757879 TCL: Center of mass = 37.9907078609 -0.121411273648 -2.16602075654 TCL: Center of mass = 37.9938760781 -0.121932363057 -2.16578549044 TCL: Center of mass = 37.9970424247 -0.122452524431 -2.16554290514 TCL: Center of mass = 38.0002120351 -0.122976069568 -2.16530656165 TCL: Center of mass = 38.0033836017 -0.123505814484 -2.16506144063 TCL: Center of mass = 38.0065709881 -0.124031784338 -2.16481437443 TCL: Center of mass = 38.0097510554 -0.124561586746 -2.1645649159 TCL: Center of mass = 38.0129284592 -0.125084718005 -2.16431883218 TCL: Center of mass = 38.0161088751 -0.125611725766 -2.16407143621 TCL: Center of mass = 38.0192879945 -0.126133570769 -2.16382905738 TCL: Center of mass = 38.0224733655 -0.126647196897 -2.16358552776 TCL: Center of mass = 38.0256617104 -0.12715874404 -2.16334445753 TCL: Center of mass = 38.0288528056 -0.127681783722 -2.16309314221 TCL: Center of mass = 38.0320456135 -0.128195002238 -2.1628332905 TCL: Center of mass = 38.0352491208 -0.128705678733 -2.16257036092 TCL: Center of mass = 38.0384508492 -0.129219503848 -2.16230547123 TCL: Center of mass = 38.0416424442 -0.129746921279 -2.16203507408 TCL: Center of mass = 38.0448300544 -0.130267142458 -2.16176826775 TCL: Center of mass = 38.0480218004 -0.130787010391 -2.1615011669 TCL: Center of mass = 38.0512207804 -0.131309269379 -2.16123527019 TCL: Center of mass = 38.0544084765 -0.131821499255 -2.16097773811 TCL: Center of mass = 38.0576036265 -0.132342904653 -2.16071848389 TCL: Center of mass = 38.0607922787 -0.132869124743 -2.16047073382 TCL: Center of mass = 38.0639836013 -0.133391288256 -2.16023094381 TIMING: 12900 CPU: 1095.94, 0.0859069/step Wall: 1340.7, 0.105372/step, 0.207817 hours remaining, 22165 kB of memory in use. ENERGY: 12900 439.6564 700.2171 400.7454 38.7516 -2807.1515 -203.4356 0.0000 0.0000 1145.6393 -285.5773 312.2187 -276.2533 -278.3942 313.7411 789.3553 948.0336 64000.0000 1044.5719 1047.2804 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 = 38.0671703718 -0.133910230559 -2.15999050757 TCL: Center of mass = 38.0703587687 -0.134423120902 -2.15975947749 TCL: Center of mass = 38.073557094 -0.134930949402 -2.1595320876 TCL: Center of mass = 38.0767553387 -0.135432384889 -2.15930524433 TCL: Center of mass = 38.0799568746 -0.135926566924 -2.15907216545 TCL: Center of mass = 38.0831636833 -0.136409207529 -2.15884712663 TCL: Center of mass = 38.0863593105 -0.136892888945 -2.15863356348 TCL: Center of mass = 38.0895513331 -0.137360036636 -2.15842627496 TCL: Center of mass = 38.0927497492 -0.137823722166 -2.1582282403 TCL: Center of mass = 38.0959531313 -0.138283352161 -2.15803114525 TCL: Center of mass = 38.0991508034 -0.138741332356 -2.15782878127 TCL: Center of mass = 38.1023447873 -0.13920510365 -2.15762248679 TCL: Center of mass = 38.1055378974 -0.139666365991 -2.15741983228 TCL: Center of mass = 38.1087242418 -0.140119644271 -2.15720975208 TCL: Center of mass = 38.1119044862 -0.140571373299 -2.1570017709 TCL: Center of mass = 38.1150762399 -0.141023676958 -2.15678157185 TCL: Center of mass = 38.1182467456 -0.141491053701 -2.15656197129 TCL: Center of mass = 38.1214176159 -0.141976129842 -2.156338177 TCL: Center of mass = 38.124579798 -0.142459190673 -2.15611856063 TCL: Center of mass = 38.1277490273 -0.142934418011 -2.15589763007 TCL: Center of mass = 38.1309202027 -0.143402246976 -2.15567805362 TCL: Center of mass = 38.1340924859 -0.143871266343 -2.15546782749 TCL: Center of mass = 38.137257336 -0.144349651732 -2.15525720884 TCL: Center of mass = 38.1404063037 -0.144830034736 -2.15504739461 TCL: Center of mass = 38.1435430143 -0.145319040379 -2.15483458391 TCL: Center of mass = 38.1466860562 -0.145807699871 -2.15461753799 TCL: Center of mass = 38.1498392716 -0.146297889326 -2.15439997408 TCL: Center of mass = 38.1529856073 -0.146785547825 -2.15418406397 TCL: Center of mass = 38.1561269326 -0.147263104221 -2.15395959595 TCL: Center of mass = 38.1592677017 -0.147728742114 -2.15374178988 TCL: Center of mass = 38.1624041864 -0.148197825656 -2.15351976946 TCL: Center of mass = 38.1655455333 -0.148670380999 -2.15330377973 TCL: Center of mass = 38.1687027159 -0.149145530546 -2.15308752517 TCL: Center of mass = 38.1718678514 -0.149625601256 -2.15285889885 TCL: Center of mass = 38.1750212198 -0.150115043712 -2.15263367797 TCL: Center of mass = 38.178178923 -0.150606431253 -2.15242053238 TCL: Center of mass = 38.1813411917 -0.15110611232 -2.15220818948 TCL: Center of mass = 38.1844946179 -0.151612666244 -2.15201294612 TCL: Center of mass = 38.1876595475 -0.152119239529 -2.15181636321 TCL: Center of mass = 38.1908218657 -0.15261920689 -2.15163172531 TCL: Center of mass = 38.1939925097 -0.153114283514 -2.15145141838 TCL: Center of mass = 38.1971600659 -0.153607206166 -2.15127702587 TCL: Center of mass = 38.2003329816 -0.154101135485 -2.15110055024 TCL: Center of mass = 38.2035109327 -0.154590522303 -2.15093051816 TCL: Center of mass = 38.2066951571 -0.155091478044 -2.15077019382 TCL: Center of mass = 38.2098764903 -0.155594309132 -2.15061167815 TCL: Center of mass = 38.2130578778 -0.156099288648 -2.15046374256 TCL: Center of mass = 38.2162395566 -0.15660805708 -2.15032548117 TCL: Center of mass = 38.2194253409 -0.157116100581 -2.15018768608 TCL: Center of mass = 38.2226163462 -0.157619588675 -2.15004900011 TCL: Center of mass = 38.2258103041 -0.158112764753 -2.14990354702 TCL: Center of mass = 38.2290147533 -0.15861156174 -2.14976688362 TCL: Center of mass = 38.2322209692 -0.159113729979 -2.14963031457 TCL: Center of mass = 38.2354222347 -0.159617921579 -2.14948176514 TCL: Center of mass = 38.2386303191 -0.160116131374 -2.14932579902 TCL: Center of mass = 38.2418466565 -0.160620149421 -2.14917722169 TCL: Center of mass = 38.2450623928 -0.161141431075 -2.14902106992 TCL: Center of mass = 38.2482629281 -0.161672741065 -2.14885970716 TCL: Center of mass = 38.2514592875 -0.162201411901 -2.14870327595 TCL: Center of mass = 38.254659243 -0.162720298698 -2.14854797901 TCL: Center of mass = 38.2578487202 -0.163247881705 -2.14839407705 TCL: Center of mass = 38.2610321375 -0.163771477755 -2.14823423015 TCL: Center of mass = 38.2642192798 -0.164286653292 -2.14807391829 TCL: Center of mass = 38.267406254 -0.164804550573 -2.14790614818 TCL: Center of mass = 38.2705830441 -0.165332886254 -2.14774492641 TCL: Center of mass = 38.2737560817 -0.165849487241 -2.14757664591 TCL: Center of mass = 38.2769312932 -0.166370241103 -2.14740850312 TCL: Center of mass = 38.2801063451 -0.1668897238 -2.14723946477 TCL: Center of mass = 38.2832639035 -0.16740015899 -2.14705821254 TCL: Center of mass = 38.2864231189 -0.167910246513 -2.14687978384 TCL: Center of mass = 38.2895822573 -0.168412237069 -2.14670805194 TCL: Center of mass = 38.2927319344 -0.168907981055 -2.14653941479 TCL: Center of mass = 38.29587841 -0.169399631257 -2.1463730441 TCL: Center of mass = 38.299025244 -0.169891455087 -2.14619793728 TCL: Center of mass = 38.3021565403 -0.170387886706 -2.14603907335 TCL: Center of mass = 38.3052726164 -0.170880946699 -2.14588087535 TCL: Center of mass = 38.3083967607 -0.171372292549 -2.14573580944 TCL: Center of mass = 38.3115192061 -0.171862518709 -2.14557517526 TCL: Center of mass = 38.3146482179 -0.172364300279 -2.14540537774 TCL: Center of mass = 38.3177828911 -0.172858367169 -2.14523272352 TCL: Center of mass = 38.3209082151 -0.173348216732 -2.14505932969 TCL: Center of mass = 38.3240279552 -0.173829898098 -2.14487547623 TCL: Center of mass = 38.3271477264 -0.17431382607 -2.14468697631 TCL: Center of mass = 38.330270002 -0.174801685212 -2.14449487896 TCL: Center of mass = 38.3333955026 -0.175284422277 -2.14430499193 TCL: Center of mass = 38.3365208039 -0.175763347579 -2.14411576826 TCL: Center of mass = 38.3396544149 -0.176238353351 -2.14393607947 TCL: Center of mass = 38.3427913969 -0.176717763426 -2.14376742499 TCL: Center of mass = 38.3459373708 -0.177191764694 -2.14359153877 TCL: Center of mass = 38.3490788442 -0.177664496395 -2.14340624555 TCL: Center of mass = 38.3522138246 -0.178135793789 -2.14322430457 TCL: Center of mass = 38.3553463693 -0.178602019853 -2.14305116207 TCL: Center of mass = 38.3584684354 -0.179058209927 -2.14287236287 TCL: Center of mass = 38.3615969658 -0.179517081923 -2.14269347063 TCL: Center of mass = 38.3647214997 -0.17997921711 -2.14251368343 TCL: Center of mass = 38.3678499543 -0.180450507138 -2.14233402103 TCL: Center of mass = 38.3709784794 -0.180924990817 -2.14214823435 TCL: Center of mass = 38.3740950722 -0.181390612751 -2.14196616419 TCL: Center of mass = 38.3772155184 -0.181848979904 -2.14177962511 TCL: Center of mass = 38.3803348446 -0.182309057638 -2.14160097892 TIMING: 13000 CPU: 1104.49, 0.085477/step Wall: 1351.19, 0.104841/step, 0.203857 hours remaining, 22165 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 413.3242 700.1451 417.5748 40.5008 -2785.9782 -223.4336 0.0000 0.0000 1162.4869 -275.3800 316.8102 -266.4967 -267.0981 315.9561 893.5099 1064.5892 64000.0000 1049.0786 1044.1022 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 = 38.3834436294 -0.182785584365 -2.14140836988 TCL: Center of mass = 38.3865518489 -0.18325987055 -2.14122443344 TCL: Center of mass = 38.3896603735 -0.183729691219 -2.14103062974 TCL: Center of mass = 38.3927751885 -0.184190341639 -2.14084065566 TCL: Center of mass = 38.3958869842 -0.184648137824 -2.14064003933 TCL: Center of mass = 38.3989890606 -0.185106754865 -2.14044302988 TCL: Center of mass = 38.402097624 -0.1855651607 -2.14024641335 TCL: Center of mass = 38.4052071501 -0.186026906815 -2.14004813663 TCL: Center of mass = 38.4083171548 -0.186486402698 -2.13984887971 TCL: Center of mass = 38.4114365513 -0.186944061249 -2.13964870678 TCL: Center of mass = 38.414560593 -0.187387938272 -2.13945590601 TCL: Center of mass = 38.4176853615 -0.187828092497 -2.13927274562 TCL: Center of mass = 38.420818303 -0.188268429231 -2.13908458165 TCL: Center of mass = 38.4239569215 -0.188710368778 -2.13889270868 TCL: Center of mass = 38.4270941792 -0.18915117639 -2.13870166773 TCL: Center of mass = 38.4302381467 -0.189592737116 -2.1385013398 TCL: Center of mass = 38.4333852773 -0.19002949478 -2.1383083019 TCL: Center of mass = 38.4365487613 -0.190474576512 -2.1381215751 TCL: Center of mass = 38.4397040416 -0.190918560082 -2.13794120443 TCL: Center of mass = 38.4428595586 -0.191370928913 -2.13777147837 TCL: Center of mass = 38.4460139239 -0.191818676734 -2.13760965248 TCL: Center of mass = 38.4491724914 -0.19225890708 -2.1374471064 TCL: Center of mass = 38.4523310241 -0.192704941344 -2.13726960483 TCL: Center of mass = 38.4554804643 -0.193146990917 -2.13708853448 TCL: Center of mass = 38.4586328308 -0.193581882321 -2.13691791062 TCL: Center of mass = 38.4617897566 -0.194017773106 -2.13675085014 TCL: Center of mass = 38.4649414238 -0.194441748336 -2.13658300249 TCL: Center of mass = 38.4680992878 -0.194858627355 -2.13642017415 TCL: Center of mass = 38.4712538904 -0.195265393838 -2.13625919391 TCL: Center of mass = 38.474414099 -0.195668925355 -2.13608331245 TCL: Center of mass = 38.4775685601 -0.196059811121 -2.13589897 TCL: Center of mass = 38.4807229089 -0.196451168604 -2.13570748347 TCL: Center of mass = 38.4838774351 -0.196845861401 -2.13552834422 TCL: Center of mass = 38.4870308645 -0.1972373037 -2.13534032988 TCL: Center of mass = 38.490194628 -0.197633060572 -2.1351475154 TCL: Center of mass = 38.4933543884 -0.198021856552 -2.13494813616 TCL: Center of mass = 38.4965073213 -0.19841891975 -2.13473928044 TCL: Center of mass = 38.4996682883 -0.198807100226 -2.13451181034 TCL: Center of mass = 38.5028270939 -0.199197402079 -2.13427882731 TCL: Center of mass = 38.5059823946 -0.199584643363 -2.13403960231 TCL: Center of mass = 38.5091369017 -0.199969241767 -2.13379401731 TCL: Center of mass = 38.5122937391 -0.200353309406 -2.13354588298 TCL: Center of mass = 38.5154472377 -0.200737617988 -2.13329671314 TCL: Center of mass = 38.5185979507 -0.201128670208 -2.1330445997 TCL: Center of mass = 38.521747051 -0.201522285635 -2.13279242374 TCL: Center of mass = 38.5249058392 -0.201910766422 -2.13254380689 TCL: Center of mass = 38.52806446 -0.202300742404 -2.13230054027 TCL: Center of mass = 38.5312231729 -0.202692601733 -2.1320562559 TCL: Center of mass = 38.5343871453 -0.203079097702 -2.13181756936 TCL: Center of mass = 38.5375691135 -0.203461840565 -2.13157593121 TCL: Center of mass = 38.5407511084 -0.203846631844 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Center of mass = 38.9571086801 -0.25764413154 -2.09469817494 TCL: Center of mass = 38.9602360672 -0.258060344684 -2.0944340086 TCL: Center of mass = 38.9633625102 -0.258477065883 -2.09416960965 TCL: Center of mass = 38.966496417 -0.25888751117 -2.09390099021 TCL: Center of mass = 38.9696349536 -0.259287078636 -2.09362164161 TCL: Center of mass = 38.9727815457 -0.259699055053 -2.09333003311 TCL: Center of mass = 38.9759269705 -0.260107917189 -2.09304429935 TCL: Center of mass = 38.9790710607 -0.260517618478 -2.09275634269 TCL: Center of mass = 38.9822197278 -0.260932682064 -2.09247826322 TCL: Center of mass = 38.9853628034 -0.261338282878 -2.09219898156 TCL: Center of mass = 38.9885048369 -0.261746322358 -2.09192002053 TCL: Center of mass = 38.991643887 -0.262155424679 -2.09163561962 TCL: Center of mass = 38.9947803026 -0.262566574951 -2.09135666138 TCL: Center of mass = 38.9979091256 -0.262985956147 -2.09107802929 TCL: Center of mass = 39.0010387091 -0.263398323599 -2.09079343072 TCL: Center of mass = 39.0041691773 -0.263825739995 -2.09052000282 TCL: Center of mass = 39.0072914124 -0.264252799759 -2.09024934035 TIMING: 13200 CPU: 1121.62, 0.085757/step Wall: 1372.2, 0.105206/step, 0.198723 hours remaining, 22165 kB of memory in use. 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Center of mass = 39.0352990096 -0.268085264489 -2.08780684341 TCL: Center of mass = 39.0384026653 -0.268509116137 -2.08751526303 TCL: Center of mass = 39.0414972078 -0.26893532864 -2.08722150258 TCL: Center of mass = 39.0445859922 -0.2693476116 -2.08693005957 TCL: Center of mass = 39.0476706482 -0.269756922855 -2.08664174932 TCL: Center of mass = 39.0507563569 -0.270170200167 -2.08635005642 TCL: Center of mass = 39.0538429935 -0.270587143165 -2.08606079876 TCL: Center of mass = 39.0569294066 -0.270997452191 -2.08577766198 TCL: Center of mass = 39.060020758 -0.271408219059 -2.0854974494 TCL: Center of mass = 39.0631158332 -0.271811361502 -2.08521325129 TCL: Center of mass = 39.0662096868 -0.272226082328 -2.08492503148 TCL: Center of mass = 39.069306306 -0.272637734639 -2.08463538546 TCL: Center of mass = 39.07239865 -0.273059609463 -2.08435860016 TCL: Center of mass = 39.0754894528 -0.273489758534 -2.08408160587 TCL: Center of mass = 39.0785793396 -0.273914832573 -2.08380697273 TCL: Center of mass = 39.0816651205 -0.274332319975 -2.08352319375 TCL: Center of mass = 39.0847462241 -0.274753021803 -2.08324514238 TCL: Center of mass = 39.0878226313 -0.275191239899 -2.08297478896 TCL: Center of mass = 39.0908904545 -0.275642762389 -2.0827020596 TCL: Center of mass = 39.093947182 -0.276097339133 -2.08243961397 TCL: Center of mass = 39.0970121553 -0.276559360207 -2.08217503818 TCL: Center of mass = 39.1000779872 -0.27701829844 -2.08191009899 TCL: Center of mass = 39.1031412476 -0.277468777452 -2.08164405303 TCL: Center of mass = 39.1062113861 -0.277917990909 -2.08138400168 TCL: Center of mass = 39.1092870018 -0.278362368831 -2.08112541691 TCL: Center of mass = 39.112371612 -0.278797710795 -2.08085357401 TCL: Center of mass = 39.1154513216 -0.279238025624 -2.08056701232 TCL: Center of mass = 39.1185268612 -0.279682338522 -2.08028721138 TCL: Center of mass = 39.1216039802 -0.280141466554 -2.08000979495 TCL: Center of mass = 39.1246779385 -0.28060187361 -2.07973385217 TCL: Center of mass = 39.1277544047 -0.281058104481 -2.07943825151 TCL: Center of mass = 39.1308409723 -0.281513563084 -2.07915149474 TCL: Center of mass = 39.1339391351 -0.281963917078 -2.07885793547 TCL: Center of mass = 39.1370431092 -0.282416643151 -2.078573984 TCL: Center of mass = 39.1401487489 -0.28286974294 -2.07829227364 TCL: Center of mass = 39.1432542402 -0.283322683992 -2.07801105862 TCL: Center of mass = 39.146357653 -0.283769055246 -2.07772757582 TCL: Center of mass = 39.1494638206 -0.284220224399 -2.07742604643 TCL: Center of mass = 39.1525584567 -0.284677328058 -2.07712784428 TCL: Center of mass = 39.1556656923 -0.285146806303 -2.07683587828 TCL: Center of mass = 39.1587793156 -0.285619442406 -2.07655409622 TCL: Center of mass = 39.1618982149 -0.286091650538 -2.07627419318 TCL: Center of mass = 39.1650135165 -0.286580668977 -2.07599877853 TCL: Center of mass = 39.1681336074 -0.287064153417 -2.07572478203 TCL: Center of mass = 39.1712633531 -0.287554140688 -2.07545485534 TCL: Center of mass = 39.1744034105 -0.288053364843 -2.07517520758 TCL: Center of mass = 39.1775286469 -0.288551095535 -2.07490566616 TCL: Center of mass = 39.1806508879 -0.289043052488 -2.07463974047 TCL: Center of mass = 39.1837748074 -0.289536518217 -2.0743751563 TCL: Center of mass = 39.1869123291 -0.290025623615 -2.07410244634 TCL: Center of mass = 39.1900469478 -0.290512776896 -2.07384288223 TCL: Center of mass = 39.1931844026 -0.291002878577 -2.07357777509 TCL: Center of mass = 39.1963200138 -0.291495489786 -2.07330676543 TCL: Center of mass = 39.1994579183 -0.291987238118 -2.07304068771 TCL: Center of mass = 39.2025984604 -0.29248027672 -2.07276817722 TCL: Center of mass = 39.2057361083 -0.292973185272 -2.07249797983 TCL: Center of mass = 39.2088775233 -0.293468497319 -2.07222732851 TCL: Center of mass = 39.2120023379 -0.293978538101 -2.07195162674 TCL: Center of mass = 39.2151293447 -0.294483413352 -2.07166257951 TCL: Center of mass = 39.2182636797 -0.294987228514 -2.07137200554 TCL: Center of mass = 39.2214008999 -0.295482161829 -2.07107217327 TCL: Center of mass = 39.2245270473 -0.295986783345 -2.07077193554 TCL: Center of mass = 39.2276634384 -0.296481660911 -2.07047915731 TCL: Center of mass = 39.2307941294 -0.296980776834 -2.07019054396 TCL: Center of mass = 39.2339190869 -0.297474544712 -2.06990853113 TCL: Center of mass = 39.2370343106 -0.29795741594 -2.06962961149 TCL: Center of mass = 39.2401501937 -0.298453424044 -2.06935761432 TCL: Center of mass = 39.2432668438 -0.298950459143 -2.06907947381 TCL: Center of mass = 39.2463864721 -0.299436061558 -2.06879454866 TCL: Center of mass = 39.2495107204 -0.299926700766 -2.06850337791 TCL: Center of mass = 39.2526423157 -0.300417151932 -2.06821299687 TCL: Center of mass = 39.2557694546 -0.30091009344 -2.06792454234 TCL: Center of mass = 39.2588978062 -0.301388595157 -2.06762553403 TCL: Center of mass = 39.2620312774 -0.301867343452 -2.06732437112 TCL: Center of mass = 39.2651628987 -0.302339009309 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TCL: Center of mass = 39.3463119869 -0.313988918356 -2.05969923437 TCL: Center of mass = 39.3494279305 -0.314432090896 -2.05942164494 TCL: Center of mass = 39.3525513694 -0.31487238356 -2.05915007632 TCL: Center of mass = 39.3556722936 -0.315313494899 -2.05887047175 TCL: Center of mass = 39.3587912475 -0.315750973038 -2.05858797308 TCL: Center of mass = 39.3619210017 -0.316182769513 -2.05831609125 TCL: Center of mass = 39.3650588466 -0.316607121961 -2.05803965839 TCL: Center of mass = 39.3682087303 -0.317031870174 -2.05776740099 TCL: Center of mass = 39.3713521836 -0.317451796885 -2.05749370763 TCL: Center of mass = 39.3744983097 -0.317864349035 -2.0572273674 TCL: Center of mass = 39.3776554013 -0.318277531677 -2.05696800704 TCL: Center of mass = 39.3808109791 -0.318708236114 -2.05671484476 TCL: Center of mass = 39.3839684741 -0.319139251701 -2.05646424815 TCL: Center of mass = 39.3871086755 -0.319565877117 -2.05621495561 TCL: Center of mass = 39.390252446 -0.320006526974 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39.6268987383 -0.348285841362 -2.0384891773 TCL: Center of mass = 39.6300143852 -0.348622602803 -2.03825561502 TCL: Center of mass = 39.6331238313 -0.348961088814 -2.038032044 TIMING: 13400 CPU: 1138.75, 0.0859769/step Wall: 1393.21, 0.105419/step, 0.193268 hours remaining, 22165 kB of memory in use. 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Center of mass = 39.6611813367 -0.352118873867 -2.03597544363 TCL: Center of mass = 39.6643020484 -0.352472194649 -2.0357499869 TCL: Center of mass = 39.6674245328 -0.352818147275 -2.03551915455 TCL: Center of mass = 39.6705506652 -0.35315403492 -2.0352982547 TCL: Center of mass = 39.6736834092 -0.353501722889 -2.03508539851 TCL: Center of mass = 39.6768137133 -0.353861584965 -2.03486374086 TCL: Center of mass = 39.6799493011 -0.354226863322 -2.03463334758 TCL: Center of mass = 39.6830790525 -0.354594248577 -2.03440500483 TCL: Center of mass = 39.6862105761 -0.35496308148 -2.03418457058 TCL: Center of mass = 39.6893208905 -0.355329077073 -2.03396933808 TCL: Center of mass = 39.6924345022 -0.355706706876 -2.03376146106 TCL: Center of mass = 39.6955569985 -0.356080004862 -2.03355314779 TCL: Center of mass = 39.6986817836 -0.356446515788 -2.03334915229 TCL: Center of mass = 39.7018207359 -0.356816730304 -2.03314267069 TCL: Center of mass = 39.704973869 -0.357190174731 -2.03293845698 TCL: Center of mass = 39.7081353786 -0.357561944253 -2.03273352555 TCL: Center of mass = 39.7113052669 -0.357935558096 -2.03252546719 TCL: Center of mass = 39.7144763972 -0.358313315772 -2.03232190635 TCL: Center of mass = 39.7176474887 -0.35868395785 -2.03212563654 TCL: Center of mass = 39.7208299022 -0.359051728529 -2.03193582668 TCL: Center of mass = 39.7240098421 -0.359426685153 -2.03175347004 TCL: Center of mass = 39.7271903026 -0.359811834622 -2.03156532367 TCL: Center of mass = 39.730354624 -0.360195863068 -2.03138394241 TCL: Center of mass = 39.7335203163 -0.360570479934 -2.03120799347 TCL: Center of mass = 39.7366832694 -0.360940246755 -2.03103069993 TCL: Center of mass = 39.7398404018 -0.361311277188 -2.03085802816 TCL: Center of mass = 39.7430025249 -0.361676727861 -2.03069344022 TCL: Center of mass = 39.7461716776 -0.362033964884 -2.03052410585 TCL: Center of mass = 39.7493285908 -0.36238571235 -2.03035978412 TCL: Center of mass = 39.7524797389 -0.362734345725 -2.03019417557 TCL: Center of mass = 39.7556266281 -0.363072745825 -2.0300232855 TCL: Center of mass = 39.7587844865 -0.363400170001 -2.02985585386 TCL: Center of mass = 39.7619434437 -0.363712298418 -2.02969141708 TCL: Center of mass = 39.7650977041 -0.36403448243 -2.02952886278 TCL: Center of mass = 39.7682496748 -0.364361481306 -2.02936239636 TCL: Center of mass = 39.7714050417 -0.364678985157 -2.02919703455 TCL: Center of mass = 39.7745715616 -0.364991070497 -2.02903204889 TCL: Center of mass = 39.7777464636 -0.365293487394 -2.02887028932 TCL: Center of mass = 39.7809150692 -0.365591681335 -2.02871758586 TCL: Center of mass = 39.7840802839 -0.365889886553 -2.02856401352 TCL: Center of mass = 39.7872426988 -0.366173077697 -2.02840676118 TCL: Center of mass = 39.7904196291 -0.366459438908 -2.02824646977 TCL: Center of mass = 39.7935995473 -0.366729065353 -2.02807790156 TCL: Center of mass = 39.7967868305 -0.367009684936 -2.02790657081 TCL: Center of mass = 39.7999664625 -0.367283839061 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TCL: Center of mass = 39.9753306468 -0.383042451197 -2.01748465214 TCL: Center of mass = 39.9784172765 -0.383362680079 -2.01724577018 TCL: Center of mass = 39.9815157078 -0.383679185419 -2.01700737328 TCL: Center of mass = 39.984612648 -0.383989042695 -2.01676755497 TCL: Center of mass = 39.9877213749 -0.384302192774 -2.01653173794 TCL: Center of mass = 39.9908382422 -0.384611493435 -2.01627173755 TCL: Center of mass = 39.9939626168 -0.384915008548 -2.01599939267 TCL: Center of mass = 39.9970950704 -0.385226749708 -2.01573035158 TCL: Center of mass = 40.0002207865 -0.385531955712 -2.01546133295 TCL: Center of mass = 40.0033493494 -0.385837929845 -2.0151824252 TCL: Center of mass = 40.0064776795 -0.386134893534 -2.01492139799 TCL: Center of mass = 40.0095995429 -0.386424639103 -2.01465198276 TCL: Center of mass = 40.0127230165 -0.386718716227 -2.01437276446 TCL: Center of mass = 40.0158482793 -0.387007551595 -2.01409272757 TCL: Center of mass = 40.0189776929 -0.387300374968 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40.2605311281 -0.406376413847 -1.98944394993 TCL: Center of mass = 40.2637257269 -0.406604709229 -1.98910434241 TCL: Center of mass = 40.2669357655 -0.406840037463 -1.98876062852 TIMING: 13600 CPU: 1155.85, 0.085837/step Wall: 1414.18, 0.105247/step, 0.187105 hours remaining, 22165 kB of memory in use. 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Center of mass = 40.2958125135 -0.408929242978 -1.98568386022 TCL: Center of mass = 40.2990206331 -0.409184774026 -1.98534558757 TCL: Center of mass = 40.3022221824 -0.409445969247 -1.98499912412 TCL: Center of mass = 40.305421975 -0.40969520042 -1.98465257146 TCL: Center of mass = 40.3086103404 -0.409948665025 -1.98430799978 TCL: Center of mass = 40.311787932 -0.410199294076 -1.98394903834 TCL: Center of mass = 40.3149625838 -0.410454374287 -1.98358732812 TCL: Center of mass = 40.3181371935 -0.410702352501 -1.98322150357 TCL: Center of mass = 40.321303199 -0.410944706289 -1.9828510762 TCL: Center of mass = 40.3244704966 -0.411172775572 -1.98248717764 TCL: Center of mass = 40.327646994 -0.411396724703 -1.98211999227 TCL: Center of mass = 40.3308149601 -0.411630797896 -1.98176692911 TCL: Center of mass = 40.3339961053 -0.411861424415 -1.98139324661 TCL: Center of mass = 40.3371636241 -0.412101726417 -1.98102375701 TCL: Center of mass = 40.3403193076 -0.412341410552 -1.98064196554 TCL: Center of mass = 40.3434774984 -0.412591243974 -1.98026261228 TCL: Center of mass = 40.3466303501 -0.412838881786 -1.97988691214 TCL: Center of mass = 40.3497850668 -0.413082668205 -1.9795025311 TCL: Center of mass = 40.3529388285 -0.413326868815 -1.97912371795 TCL: Center of mass = 40.35610167 -0.413567287793 -1.97874602325 TCL: Center of mass = 40.3592586637 -0.413814283223 -1.97837375604 TCL: Center of mass = 40.3624186408 -0.414055654826 -1.9780026392 TCL: Center of mass = 40.3655817682 -0.414296928702 -1.97762191243 TCL: Center of mass = 40.368737653 -0.414519717947 -1.97724725086 TCL: Center of mass = 40.3718969348 -0.414732626067 -1.97686636433 TCL: Center of mass = 40.3750475987 -0.41494541055 -1.97649342767 TCL: Center of mass = 40.3782018675 -0.415162632202 -1.97611741782 TCL: Center of mass = 40.3813684085 -0.415390933853 -1.97573723803 TCL: Center of mass = 40.3845245471 -0.41561632916 -1.97536382001 TCL: Center of mass = 40.3876797652 -0.415832455671 -1.97499282784 TCL: Center of mass = 40.390839571 -0.416057155876 -1.9746118196 TCL: Center of mass = 40.3939999692 -0.416291023955 -1.97422209249 TCL: Center of mass = 40.3971536544 -0.416530304413 -1.97383367592 TCL: Center of mass = 40.4003126423 -0.416769435032 -1.97344074054 TCL: Center of mass = 40.4034946924 -0.417012068602 -1.9730579435 TCL: Center of mass = 40.4066839176 -0.417241995343 -1.97267737278 TCL: Center of mass = 40.4098810653 -0.417479342662 -1.97229444692 TCL: Center of mass = 40.4130664745 -0.417724621797 -1.97190105094 TCL: Center of mass = 40.4162605136 -0.417968366183 -1.97150453259 TCL: Center of mass = 40.4194640743 -0.418205776107 -1.97111241479 TCL: Center of mass = 40.4226677369 -0.418434942638 -1.9707132551 TCL: Center of mass = 40.4258797898 -0.418671305657 -1.97031217637 TCL: Center of mass = 40.4290981105 -0.418902787016 -1.96991561315 TCL: Center of mass = 40.4323232037 -0.419140439881 -1.96952052549 TCL: Center of mass = 40.4355578904 -0.419380168318 -1.96912490225 TCL: Center of mass = 40.4387973945 -0.41961932602 -1.96873287814 TCL: Center of mass = 40.442029494 -0.419852384108 -1.96834263292 TCL: Center of mass = 40.4452616797 -0.4200922937 -1.96795805291 TCL: Center of mass = 40.4484963409 -0.4203231495 -1.9675745009 TCL: Center of mass = 40.4517238974 -0.4205518954 -1.96719057866 TCL: Center of mass = 40.4549561895 -0.420764971516 -1.96680216559 TCL: Center of mass = 40.4581857728 -0.420971035453 -1.96641677527 TCL: Center of mass = 40.4614195959 -0.421178547075 -1.96602110853 TCL: Center of mass = 40.4646615231 -0.421383847507 -1.96562385111 TCL: Center of mass = 40.4679038783 -0.421588812993 -1.96522284529 TCL: Center of mass = 40.4711585934 -0.421798317098 -1.96481605821 TCL: Center of mass = 40.4744116836 -0.421997754422 -1.96441806175 TCL: Center of mass = 40.477665603 -0.422207537548 -1.9640192304 TCL: Center of mass = 40.4809092981 -0.422431945941 -1.96363314984 TCL: Center of mass = 40.4841443913 -0.422646739845 -1.96325250672 TCL: Center 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of mass = 40.5851988799 -0.429887178043 -1.9525561769 TCL: Center of mass = 40.5884375546 -0.430095720908 -1.95226637515 TIMING: 13700 CPU: 1164.38, 0.085357/step Wall: 1424.65, 0.104709/step, 0.18324 hours remaining, 22165 kB of memory in use. 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Center of mass = 40.6174951327 -0.432004594191 -1.94967902276 TCL: Center of mass = 40.6207394855 -0.432214194069 -1.94939648831 TCL: Center of mass = 40.6239924278 -0.432409540781 -1.94910770645 TCL: Center of mass = 40.6272410425 -0.432614007875 -1.94882331992 TCL: Center of mass = 40.6304893983 -0.432808188914 -1.94854330704 TCL: Center of mass = 40.6337436413 -0.433011941701 -1.94826628421 TCL: Center of mass = 40.6369884599 -0.433224267122 -1.94798027782 TCL: Center of mass = 40.6402371977 -0.433438255818 -1.94768960924 TCL: Center of mass = 40.6434911599 -0.433657405208 -1.94740259872 TCL: Center of mass = 40.6467345679 -0.433881184975 -1.94712985799 TCL: Center of mass = 40.6499787913 -0.434102941311 -1.94685076552 TCL: Center of mass = 40.6532357684 -0.434313757164 -1.94657721936 TCL: Center of mass = 40.6564917466 -0.434521785418 -1.9463057906 TCL: Center of mass = 40.659768041 -0.434723063934 -1.9460276173 TCL: Center of mass = 40.6630392222 -0.434927120479 -1.9457484733 TCL: 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Center of mass = 40.7152761057 -0.438120022777 -1.94105717839 TCL: Center of mass = 40.7185554795 -0.43833913691 -1.94074703294 TCL: Center of mass = 40.7218327854 -0.438537205613 -1.94044709277 TCL: Center of mass = 40.7251038677 -0.438738461784 -1.94015133784 TCL: Center of mass = 40.728368433 -0.438966139658 -1.93985406416 TCL: Center of mass = 40.7316453288 -0.439184059027 -1.93956076438 TCL: Center of mass = 40.7349275925 -0.439405890032 -1.93926698613 TCL: Center of mass = 40.7382156185 -0.439637433932 -1.93897577439 TCL: Center of mass = 40.7414989694 -0.439865080355 -1.93866809123 TCL: Center of mass = 40.7447813818 -0.440097673294 -1.93836199493 TCL: Center of mass = 40.7480540957 -0.440331000641 -1.93805284442 TCL: Center of mass = 40.751319537 -0.440567322946 -1.9377543532 TCL: Center of mass = 40.7545733266 -0.440788368075 -1.93744943205 TCL: Center of mass = 40.7578218492 -0.441003381466 -1.93716455418 TCL: Center of mass = 40.7610650735 -0.441221009543 -1.93688065378 TCL: 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TCL: Center of mass = 40.8623346333 -0.448749655429 -1.92963462994 TCL: Center of mass = 40.8656105132 -0.448996288363 -1.92942946892 TCL: Center of mass = 40.8688913074 -0.449254686794 -1.92922756357 TCL: Center of mass = 40.872165362 -0.449503567129 -1.92901570497 TCL: Center of mass = 40.8754445153 -0.449735434373 -1.92880631875 TCL: Center of mass = 40.8787370718 -0.449967006519 -1.92859303685 TCL: Center of mass = 40.8820348677 -0.450193460738 -1.92837496976 TCL: Center of mass = 40.8853205462 -0.450411478764 -1.92815148893 TCL: Center of mass = 40.8886100842 -0.450627748753 -1.92792102592 TCL: Center of mass = 40.8918898027 -0.450851032121 -1.92769335863 TCL: Center of mass = 40.8951568775 -0.451062478683 -1.92746019962 TCL: Center of mass = 40.8984218427 -0.451274412057 -1.92722088776 TCL: Center of mass = 40.9016845403 -0.45148523692 -1.92698102218 TCL: Center of mass = 40.9049432974 -0.451693633088 -1.92674222952 TCL: Center of mass = 40.9082014365 -0.451896928623 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TCL: Center of mass = 40.9440568145 -0.454416077477 -1.92394295307 TCL: Center of mass = 40.9472995865 -0.454634227246 -1.92369214738 TCL: Center of mass = 40.9505373231 -0.454853996804 -1.92346195295 TCL: Center of mass = 40.9537711202 -0.455065616864 -1.92322904181 TCL: Center of mass = 40.9569938463 -0.455272411134 -1.92300605964 TCL: Center of mass = 40.9602253026 -0.455484292541 -1.92278471122 TCL: Center of mass = 40.9634502095 -0.455694832404 -1.92256446775 TCL: Center of mass = 40.9666674487 -0.455910486031 -1.92233697231 TCL: Center of mass = 40.969896591 -0.456126532923 -1.9221030112 TCL: Center of mass = 40.973114554 -0.456328260804 -1.9218728896 TCL: Center of mass = 40.9763306878 -0.456540171148 -1.92165508464 TCL: Center of mass = 40.979548414 -0.45675295891 -1.92142125654 TCL: Center of mass = 40.9827600708 -0.456973996497 -1.921191547 TCL: Center of mass = 40.9859590816 -0.457204678058 -1.92097740782 TCL: Center of mass = 40.9891535479 -0.457438100537 -1.92075742971 TCL: Center of mass = 40.9923440978 -0.45767355496 -1.92054079427 TCL: Center of mass = 40.9955397794 -0.457901827136 -1.92032954949 TCL: Center of mass = 40.9987401118 -0.458139909696 -1.92012444871 TCL: Center of mass = 41.0019442546 -0.45837218706 -1.91993097783 TCL: Center of mass = 41.0051501279 -0.458610831219 -1.91972515882 TCL: Center of mass = 41.0083556413 -0.458846645906 -1.91950809537 TCL: Center of mass = 41.0115522436 -0.459089997159 -1.91929902417 TCL: Center of mass = 41.0147535841 -0.459331816747 -1.91909523401 TCL: Center of mass = 41.0179568143 -0.45958534949 -1.91888345819 TCL: Center of mass = 41.0211554122 -0.459844761865 -1.918665023 TCL: Center of mass = 41.0243536081 -0.460104527408 -1.91844328268 TCL: Center of mass = 41.0275674833 -0.460368432138 -1.91821261276 TCL: Center of mass = 41.0307716761 -0.460635145612 -1.91799413123 TCL: Center of mass = 41.0339682452 -0.460902606928 -1.91778656295 TCL: Center of mass = 41.0371559429 -0.461164938762 -1.91758409617 TCL: Center of mass = 41.0403394621 -0.461439637511 -1.91738656246 TCL: Center of mass = 41.0435121083 -0.461712987976 -1.91718933261 TCL: Center of mass = 41.046687673 -0.461987274584 -1.91697997682 TCL: Center of mass = 41.0498566612 -0.462280474069 -1.91676428675 TCL: Center of mass = 41.0530143666 -0.462566696834 -1.91654856621 TCL: Center of mass = 41.0561816714 -0.462849682047 -1.916340598 TCL: Center of mass = 41.0593433062 -0.463144268359 -1.91611672246 TCL: Center of mass = 41.0625128409 -0.463444894394 -1.91590416861 TCL: Center of mass = 41.0656952893 -0.463737473703 -1.91569671675 TCL: Center of mass = 41.0688838407 -0.464022506178 -1.91549536618 TCL: Center of mass = 41.0720802468 -0.464311595309 -1.91528964701 TCL: Center of mass = 41.0752772179 -0.464600995751 -1.91508075629 TCL: Center of mass = 41.0784827149 -0.464901892803 -1.91487334279 TCL: Center of mass = 41.0816859235 -0.465211409681 -1.91466906604 TCL: Center of mass = 41.0848842675 -0.465511156222 -1.9144585418 TCL: Center of mass = 41.0880838196 -0.465810721692 -1.91424920866 TCL: Center of mass = 41.0912743798 -0.466110782213 -1.9140259085 TCL: Center of mass = 41.0944593731 -0.46641623329 -1.91380737475 TCL: Center of mass = 41.0976383874 -0.466716811683 -1.91358587212 TCL: Center of mass = 41.1008203852 -0.467025677121 -1.91336301943 TCL: Center of mass = 41.1039968933 -0.467316107822 -1.91315228127 TCL: Center of mass = 41.1071756263 -0.467606579793 -1.91293048509 TCL: Center of mass = 41.1103558786 -0.467904294426 -1.91271309688 TCL: Center of mass = 41.1135475645 -0.468195661201 -1.91250515221 TCL: Center of mass = 41.1167393265 -0.468486808161 -1.91230434261 TCL: Center of mass = 41.1199362498 -0.468791290713 -1.91210748502 TCL: Center of mass = 41.1231231836 -0.469107934947 -1.91189883291 TCL: Center of mass = 41.1263114169 -0.46942017431 -1.91168494867 TCL: Center of mass = 41.1294913464 -0.469736128148 -1.9114581172 TCL: Center of mass = 41.1326646824 -0.470049620285 -1.91123040486 TCL: Center of mass = 41.1358303671 -0.470361070513 -1.91100821759 TCL: Center of mass = 41.1390046347 -0.470674825804 -1.91078396956 TCL: Center of mass = 41.1421676879 -0.47098096085 -1.91056682009 TCL: Center of mass = 41.1453440151 -0.471285282078 -1.91035338928 TCL: Center of mass = 41.1485171729 -0.471595125345 -1.91015899206 TCL: Center of mass = 41.1516864957 -0.471910281842 -1.90998373253 TCL: Center of mass = 41.154854998 -0.472219789491 -1.90981109055 TCL: Center of mass = 41.1580286672 -0.472531577076 -1.90962941478 TCL: Center of mass = 41.161198041 -0.472834615942 -1.90944556699 TCL: Center of mass = 41.1643485747 -0.473130351113 -1.90926613847 TCL: Center of mass = 41.16750543 -0.473426217954 -1.909090834 TCL: Center of mass = 41.1706605437 -0.473729395794 -1.90891053108 TCL: Center of mass = 41.1738107155 -0.474033056976 -1.90872503135 TCL: Center of mass = 41.1769671097 -0.474324828389 -1.90854156265 TCL: Center of mass = 41.1801232123 -0.474615515797 -1.9083549266 TCL: Center of mass = 41.1832817732 -0.474910062739 -1.90818826362 TCL: Center of mass = 41.1864309565 -0.475205081983 -1.90802271302 TCL: Center of mass = 41.1895707991 -0.475500335145 -1.90785694228 TCL: Center of mass = 41.1927103858 -0.475790719597 -1.90769928639 TCL: Center of mass = 41.1958387941 -0.476081027614 -1.90754421797 TCL: Center of mass = 41.1989670382 -0.476373887918 -1.90737669773 TCL: Center of mass = 41.2020984487 -0.476656505758 -1.90721266125 TCL: Center of mass = 41.2052214937 -0.476944556645 -1.90704095219 TCL: Center of mass = 41.2083350224 -0.477235284369 -1.90686757659 TCL: Center of mass = 41.2114462102 -0.477528122898 -1.90671072905 TCL: Center of mass = 41.21456032 -0.477820507976 -1.90654764852 TCL: Center of mass = 41.2176514923 -0.478109657968 -1.90637749729 TCL: Center of mass = 41.2207323403 -0.478395749054 -1.90622312234 TCL: Center of mass = 41.2238231001 -0.478688756486 -1.90605001797 TCL: Center of mass = 41.2269085936 -0.478979474935 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TCL: Center of mass = 41.2609976079 -0.482231132026 -1.90370454102 TCL: Center of mass = 41.2641250729 -0.482496839921 -1.90351110006 TCL: Center of mass = 41.2672450969 -0.482770097519 -1.90331522525 TCL: Center of mass = 41.2703727726 -0.483040536708 -1.90311995179 TCL: Center of mass = 41.2735013824 -0.483320255563 -1.90292235842 TCL: Center of mass = 41.2766263752 -0.483608222152 -1.90272672717 TCL: Center of mass = 41.2797556367 -0.483893443885 -1.90253799117 TCL: Center of mass = 41.2828894947 -0.484171862355 -1.90233936437 TCL: Center of mass = 41.2860178093 -0.484463432072 -1.90214259567 TCL: Center of mass = 41.2891568623 -0.484754082403 -1.90194527541 TCL: Center of mass = 41.2922864527 -0.485038361149 -1.90173534274 TCL: Center of mass = 41.295408764 -0.485318362403 -1.90151915997 TCL: Center of mass = 41.2985297476 -0.485601238326 -1.90129729366 TCL: Center of mass = 41.3016553334 -0.485881098979 -1.90107298906 TCL: Center of mass = 41.3047840164 -0.486169825799 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-0.494894995174 -1.89501050146 TCL: Center of mass = 41.4020372727 -0.495211529496 -1.89482031366 TCL: Center of mass = 41.4051900726 -0.495537121385 -1.89463792238 TCL: Center of mass = 41.4083429682 -0.495857128619 -1.89445774137 TCL: Center of mass = 41.4114854846 -0.496166331494 -1.89427922778 TCL: Center of mass = 41.4146296939 -0.496469043887 -1.89409514303 TCL: Center of mass = 41.4177751865 -0.496774083899 -1.89392012892 TCL: Center of mass = 41.4209196368 -0.497078344194 -1.8937473737 TCL: Center of mass = 41.4240520143 -0.497375660458 -1.89355734772 TCL: Center of mass = 41.427196863 -0.497668261901 -1.89336644194 TCL: Center of mass = 41.4303554881 -0.497964529154 -1.89318925016 TCL: Center of mass = 41.4335225829 -0.498270407701 -1.89302427431 TCL: Center of mass = 41.436686754 -0.498588385833 -1.89285968367 TCL: Center of mass = 41.4398573172 -0.498901095424 -1.89270449944 TCL: Center of mass = 41.4430145426 -0.499196472929 -1.89254950361 TCL: Center of mass = 41.4461807256 -0.499482452221 -1.89239528379 TCL: Center of mass = 41.4493441108 -0.499771914915 -1.89223709204 TCL: Center of mass = 41.4525096765 -0.500062963075 -1.89206557265 TCL: Center of mass = 41.455677287 -0.500361531911 -1.89190285895 TCL: Center of mass = 41.4588448972 -0.500652150846 -1.89173758809 TCL: Center of mass = 41.4620073278 -0.500937798912 -1.89156258599 TCL: Center of mass = 41.4651696527 -0.501221928361 -1.89138306166 TCL: Center of mass = 41.4683271707 -0.501501401182 -1.89119594357 TCL: Center of mass = 41.4714932653 -0.501776124995 -1.8910286301 TCL: Center of mass = 41.4746671701 -0.502032387731 -1.89085825508 TCL: Center of mass = 41.4778287802 -0.502294559035 -1.89069283118 TCL: Center of mass = 41.4810001991 -0.502563682532 -1.8905314264 TCL: Center of mass = 41.4841659172 -0.502831422815 -1.89036674534 TCL: Center of mass = 41.4873325692 -0.50309472668 -1.89019408393 TCL: Center of mass = 41.4904968564 -0.503357685283 -1.89002785145 TCL: Center of mass = 41.4936667651 -0.503617044647 -1.88985531704 TCL: Center of mass = 41.496838886 -0.503887109493 -1.8896781864 TCL: Center of mass = 41.5000202718 -0.504170500892 -1.88949861644 TCL: Center of mass = 41.5032016791 -0.504436723846 -1.88931046278 TCL: Center of mass = 41.5063777174 -0.504707743111 -1.88912587574 TCL: Center of mass = 41.5095592814 -0.504981057591 -1.88895124456 TCL: Center of mass = 41.5127353095 -0.505259691879 -1.88877433802 TCL: Center of mass = 41.5159037462 -0.505529653003 -1.88859873928 TCL: Center of mass = 41.519077385 -0.50579415114 -1.88843583006 TCL: Center of mass = 41.5222582855 -0.506062494884 -1.88827367071 TCL: Center of mass = 41.5254395094 -0.506337067523 -1.88812937432 TCL: Center of mass = 41.5286228163 -0.50661170996 -1.88797366796 TCL: Center of mass = 41.5317988176 -0.506894087892 -1.88782763912 TCL: Center of mass = 41.5349751272 -0.507181331802 -1.88769171897 TCL: Center of mass = 41.5381528574 -0.50746276992 -1.88755330506 TCL: Center of mass = 41.5413328584 -0.507743355695 -1.88741459551 TCL: Center of mass = 41.5444999215 -0.508020167999 -1.88729095686 TCL: Center of mass = 41.5476600507 -0.508296188518 -1.88717663333 TIMING: 14000 CPU: 1190.03, 0.085297/step Wall: 1456.11, 0.104637/step, 0.174394 hours remaining, 22165 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 406.5821 691.1396 406.2925 40.2136 -2816.6206 -194.6619 0.0000 0.0000 1150.0240 -317.0307 313.4137 -308.6102 -307.5127 310.6643 1040.0958 955.0753 64000.0000 977.4930 978.4544 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 = 41.5508205545 -0.50857899736 -1.88705485961 TCL: Center of mass = 41.5539775506 -0.508861918828 -1.88692531783 TCL: Center of mass = 41.5571281698 -0.509139562599 -1.88679242293 TCL: Center of mass = 41.5602859373 -0.509430502917 -1.8866600544 TCL: Center of mass = 41.563450915 -0.509732662061 -1.88654056585 TCL: Center of mass = 41.566612765 -0.510026738218 -1.8864176496 TCL: Center of mass = 41.5697739385 -0.510324016598 -1.88630520499 TCL: Center of mass = 41.5729479062 -0.510627527815 -1.88619689719 TCL: Center of mass = 41.5761220295 -0.510929987303 -1.88608543578 TCL: Center of mass = 41.5792994302 -0.511238555039 -1.88597192265 TCL: Center of mass = 41.5824678472 -0.511549284909 -1.88586230761 TCL: Center of mass = 41.5856370207 -0.511856522725 -1.88574905729 TCL: Center of mass = 41.5888064721 -0.512153379391 -1.88562798073 TCL: Center of mass = 41.5919723883 -0.512443492526 -1.88551062831 TCL: Center of mass = 41.5951353168 -0.512740988851 -1.88539556885 TCL: Center of mass = 41.5982894276 -0.513036394876 -1.88527149221 TCL: Center of mass = 41.6014404949 -0.513338318303 -1.88514180239 TCL: Center of mass = 41.6045859858 -0.51363414007 -1.88501794598 TCL: Center of mass = 41.607731198 -0.513919203278 -1.88489810047 TCL: Center of mass = 41.6108738741 -0.514202145036 -1.88477119975 TCL: Center of mass = 41.6140060639 -0.514498842195 -1.88465713018 TCL: Center of mass = 41.6171327755 -0.51479289887 -1.88454549271 TCL: Center of mass = 41.6202474851 -0.515085491185 -1.88443455054 TCL: Center of mass = 41.6233623149 -0.515383617091 -1.88432367535 TCL: Center of mass = 41.6264845307 -0.515684670169 -1.88422093311 TCL: Center of mass = 41.6296047463 -0.515976282188 -1.88412278192 TCL: Center of mass = 41.6327228286 -0.516266408511 -1.88402913196 TCL: Center of mass = 41.6358461204 -0.516560145241 -1.88394170101 TCL: Center of mass = 41.638970818 -0.516870870842 -1.88384955238 TCL: Center of mass = 41.6421130316 -0.51718696727 -1.88376132438 TCL: Center of mass = 41.6452510791 -0.517509865015 -1.88367069292 TCL: Center of mass = 41.6483813336 -0.517837372168 -1.88358698365 TCL: Center of mass = 41.6515189887 -0.518172364785 -1.88349963024 TCL: Center of mass = 41.6546562049 -0.518505395788 -1.88340723787 TCL: Center of mass = 41.6578008845 -0.518834460644 -1.88329906226 TCL: Center of mass = 41.660948749 -0.519170694529 -1.88318459662 TCL: Center of mass = 41.6640980564 -0.519501131553 -1.88306816298 TCL: Center of mass = 41.6672428097 -0.51983519001 -1.88294912252 TCL: Center of mass = 41.6703829781 -0.520164073414 -1.88283541806 TCL: Center of mass = 41.6735176594 -0.520499681672 -1.88272820932 TCL: Center of mass = 41.6766564463 -0.520831482563 -1.88261797907 TCL: Center of mass = 41.6797912816 -0.521171597577 -1.88250505251 TCL: Center of mass = 41.6829294042 -0.521504638193 -1.88240438258 TCL: Center of mass = 41.6860726012 -0.521835220429 -1.88230529526 TCL: Center of mass = 41.6892191009 -0.522156407126 -1.88219824371 TCL: Center of mass = 41.6923825041 -0.522466641818 -1.88208239726 TCL: Center of mass = 41.6955428086 -0.522763891702 -1.88198264147 TCL: Center of mass = 41.6987101976 -0.523054802101 -1.88187652221 TCL: Center of mass = 41.7018656864 -0.523347695669 -1.8817773429 TCL: Center of mass = 41.7050176635 -0.523637359457 -1.88167869647 TCL: Center of mass = 41.7081687088 -0.523927262499 -1.88158536267 TCL: Center of mass = 41.7113291858 -0.524212924184 -1.88149610665 TCL: Center of mass = 41.714487596 -0.524502456755 -1.88141329228 TCL: Center of mass = 41.7176449136 -0.524779640758 -1.8813279014 TCL: Center of mass = 41.7207899635 -0.525059534883 -1.88125746538 TCL: Center of mass = 41.723931173 -0.525335147153 -1.88118308708 TCL: Center of mass = 41.7270732672 -0.525610349067 -1.88109869331 TCL: Center of mass = 41.7302017878 -0.525886536108 -1.88101278367 TCL: Center of mass = 41.7333344679 -0.526163267237 -1.88092839798 TCL: Center of mass = 41.7364681804 -0.526442863705 -1.88084624192 TCL: Center of mass = 41.7395960005 -0.526728577856 -1.88076040502 TCL: Center of mass = 41.7427284006 -0.527004619754 -1.880672007 TCL: Center of mass = 41.7458654007 -0.527273876484 -1.8805794746 TCL: Center of mass = 41.7489944754 -0.527540097894 -1.88048209955 TCL: Center of mass = 41.7521209906 -0.527809326959 -1.88038817506 TCL: Center of mass = 41.7552412965 -0.528076985113 -1.88029261499 TCL: Center of mass = 41.7583577377 -0.528348138773 -1.88019486159 TCL: Center of mass = 41.7614744741 -0.528622125399 -1.88009113473 TCL: Center of mass = 41.7645989484 -0.528890854483 -1.87998346702 TCL: Center of mass = 41.7677194506 -0.529152583992 -1.87988462291 TCL: Center of mass = 41.770852946 -0.529422592264 -1.87978566707 TCL: Center of mass = 41.7739923226 -0.529693995665 -1.87970533677 TCL: Center of mass = 41.7771291137 -0.529952390476 -1.87962253124 TCL: Center of mass = 41.7802621199 -0.530214503556 -1.87954445525 TCL: Center of mass = 41.7833936927 -0.530478569217 -1.87946276471 TCL: Center of mass = 41.7865270743 -0.530741410449 -1.8793833399 TCL: Center of mass = 41.7896535244 -0.531000230839 -1.87931139284 TCL: Center of mass = 41.7927855287 -0.531252990836 -1.87923614471 TCL: Center of mass = 41.7959232533 -0.531510240888 -1.87914742741 TCL: Center of mass = 41.799051769 -0.531789235661 -1.87906561181 TCL: Center of mass = 41.8021735263 -0.532069280183 -1.87899451708 TCL: Center of mass = 41.8052996001 -0.532348603894 -1.87893646348 TCL: Center of mass = 41.8084230714 -0.532639733445 -1.87888477838 TCL: Center of mass = 41.8115417278 -0.532938697946 -1.87884061302 TCL: Center of mass = 41.8146603583 -0.533243073305 -1.87878890017 TCL: Center of mass = 41.8177780585 -0.533547445307 -1.87874413592 TCL: Center of mass = 41.8208954258 -0.533852401403 -1.87869814253 TCL: Center of mass = 41.8240111321 -0.534153736795 -1.87865071211 TCL: Center of mass = 41.8271311668 -0.534458680203 -1.87860138504 TCL: Center of mass = 41.8302611542 -0.534754953669 -1.87856618789 TCL: Center of mass = 41.8333904194 -0.535049805776 -1.87852706174 TCL: Center of mass = 41.83652487 -0.535354234081 -1.87847829968 TCL: Center of mass = 41.83965794 -0.535655107124 -1.87843410458 TCL: Center of mass = 41.842794442 -0.535943214458 -1.87838406225 TCL: Center of mass = 41.8459275059 -0.536233730157 -1.8783352194 TCL: Center of mass = 41.8490787069 -0.536533908902 -1.87829323461 TCL: Center of mass = 41.8522308826 -0.536833059432 -1.87825303305 TCL: Center of mass = 41.855380395 -0.537124700302 -1.87821332804 TCL: Center of mass = 41.8585334923 -0.53740730782 -1.87817009371 TCL: Center of mass = 41.8616767244 -0.537700927595 -1.87813702592 TIMING: 14100 CPU: 1198.69, 0.0866468/step Wall: 1501.9, 0.457928/step, 0.750493 hours remaining, 22165 kB of memory in use. ENERGY: 14100 401.7562 699.9632 422.9837 46.3001 -2789.6621 -224.6082 0.0000 0.0000 1123.6775 -319.5895 306.2335 -311.0746 -310.7907 307.3614 1245.1841 1363.0479 64000.0000 875.0804 872.0414 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 = 41.8648219022 -0.538007004159 -1.87810120572 TCL: Center of mass = 41.8679562299 -0.538327353929 -1.87806335863 TCL: Center of mass = 41.8711053129 -0.538646046268 -1.87802304472 TCL: Center of mass = 41.8742451541 -0.538968348189 -1.8779805743 TCL: Center of mass = 41.8773815538 -0.539297993242 -1.87795300453 TC