X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FREMD%2FBerendsen%2Fff_gab%2Foutputs%2F1L2Y_REMD.out_GB000;fp=examples%2Funres%2FREMD%2FBerendsen%2Fff_gab%2Foutputs%2F1L2Y_REMD.out_GB000;h=3442311618ecdf5ee36386d705e9bd425358f12a;hb=6167581cc7c0c42fe1515b9ecf7e19cc8466b727;hp=d098b8a5bbd6426828f27f026edf90e0f4339b18;hpb=3d715fcd9a4c5ccea28a8e33a8e150be82aa0cec;p=unres.git diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 index d098b8a..3442311 100644 --- a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 +++ b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_REMD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -170,7 +159,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -302,12 +292,10 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 16 time before 2.343750000000000E-002 + MREMD 8 time before 3.515625000000000E-002 NREP= 16 - i2rep 1 2 3 4 5 6 7 8 9 10 - 11 12 13 14 15 16 - i2set 1 1 1 1 1 1 1 1 1 1 - 1 1 1 1 1 1 + i2rep 1 2 3 4 5 6 7 8 + i2set 1 1 1 1 1 1 1 1 i,j,il,il1,i_index(i,j,il,il1) ifirst 1 nupa 1: 2 @@ -326,22 +314,6 @@ ndowna 6: 5 ndowna 7: 6 nupa 8: 9 ndowna 8: 7 - nupa 9: 10 -ndowna 9: 8 - nupa 10: 11 -ndowna 10: 9 - nupa 11: 12 -ndowna 11: 10 - nupa 12: 13 -ndowna 12: 11 - nupa 13: 14 -ndowna 13: 12 - nupa 14: 15 -ndowna 14: 13 - nupa 15: 16 -ndowna 15: 14 - nupa 16: -ndowna 16: 15 REMD Temperature: 250.00000 ====================MD calculation start==================== Initial velocities randomly generated @@ -371,7 +343,7 @@ ndowna 16: 15 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 + 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017 alpha-carbon coordinates centroid coordinates @@ -411,2906 +383,2567 @@ TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 -GLY 11 3.800 90.000 180.000 0.000 180.000 180.000 -GLY 12 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 11 3.800 90.000 180.000 0.000 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 -GLY 16 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 16 3.800 90.000 180.000 0.000 0.000 180.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 -D 22 3.800 90.000 180.000 0.000 180.000 180.000 +D 22 3.800 90.000 180.000 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p) -EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending) -ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional) -ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local) -ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order) -ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 2.499553E+01 (total) +ETOT= 2.264125E+01 (total) Initial: Kinetic energy 2.63515E+01 - potential energy 2.49955E+01 - total energy 5.13470E+01 + potential energy 2.26412E+01 + total energy 4.89928E+01 - maximum acceleration 7.10627E-01 + maximum acceleration 9.59318E-01 - Setup time 6.250000000000000E-002 - acceleration/energy drift too large 6.01872884623843 - 20.2592193941127 split increased to 2 itime 139 + Setup time 4.687500000000000E-002 + acceleration/energy drift too large 5.52096223627373 + 30.2576481198290 split increased to 2 itime 776 itsplit 1 - acceleration/energy drift too large 5.27112114968694 - 24.5947094282993 split increased to 2 itime 811 + acceleration/energy drift too large 6.12996191669062 + 32.7489836221582 split increased to 2 itime 1557 itsplit 1 - acceleration/energy drift too large 4.11749741993015 - 10.0233573756981 split increased to 2 itime 812 + acceleration/energy drift too large 1.61312447719228 + 12.8203730755910 split increased to 2 itime 1558 itsplit 1 - acceleration/energy drift too large 6.78156239205624 - 46.6376162381685 split increased to 2 itime 1036 + acceleration/energy drift too large 4.83988204146452 + 26.1575411467794 split increased to 2 itime 1882 itsplit 1 - acceleration/energy drift too large 9.31079499697821 - 31.7226708145899 split increased to 2 itime 2891 + acceleration/energy drift too large 5.31757823843249 + 12.4132005220493 split increased to 2 itime 2744 itsplit 1 - acceleration/energy drift too large 6.21988967563635 - 16.7074784854902 split increased to 2 itime 3759 + acceleration/energy drift too large 7.48441836177942 + 25.8427082755808 split increased to 2 itime 2746 itsplit 1 - acceleration/energy drift too large 1.80361188606243 - 12.1415737284860 split increased to 2 itime 4945 + acceleration/energy drift too large 5.35377496364137 + 20.9663754072443 split increased to 2 itime 3003 itsplit 1 - acceleration/energy drift too large 5.12402735643209 - 29.4650551506901 split increased to 2 itime 5095 + acceleration/energy drift too large 5.50794024693835 + 25.0973051653464 split increased to 2 itime 3683 itsplit 1 - acceleration/energy drift too large 2.83404312115991 - 14.2652706563271 split increased to 2 itime 5279 + acceleration/energy drift too large 3.93695275049900 + 14.1563168146069 split increased to 2 itime 4070 itsplit 1 - acceleration/energy drift too large 3.34004923031108 - 13.9147219048335 split increased to 2 itime 5456 + acceleration/energy drift too large 3.16855002137921 + 10.4425934720914 split increased to 2 itime 4336 itsplit 1 - acceleration/energy drift too large 3.94199203323793 - 14.7105414366802 split increased to 2 itime 5684 + acceleration/energy drift too large 3.76534924891489 + 12.4403582429723 split increased to 2 itime 4387 itsplit 1 - acceleration/energy drift too large 4.58176126929386 - 18.9652642544041 split increased to 2 itime 6659 + acceleration/energy drift too large 7.02374296836291 + 22.3132100132628 split increased to 2 itime 4920 itsplit 1 - acceleration/energy drift too large 4.23308137134488 - 20.0605747926315 split increased to 2 itime 7737 + acceleration/energy drift too large 5.35765520601897 + 17.1331535005298 split increased to 2 itime 6240 itsplit 1 - acceleration/energy drift too large 5.69874662777226 - 13.1487157869994 split increased to 2 itime 8176 + acceleration/energy drift too large 5.53265707247039 + 13.2880826398223 split increased to 2 itime 6938 itsplit 1 - acceleration/energy drift too large 8.80799290368255 - 36.1731351413900 split increased to 2 itime 8328 + acceleration/energy drift too large 1.84195209388677 + 11.3077078270368 split increased to 2 itime 7633 itsplit 1 - acceleration/energy drift too large 4.83324003078720 - 10.4766940200828 split increased to 2 itime 8736 + acceleration/energy drift too large 11.2547094213224 + 43.6487677599973 split increased to 2 itime 7655 itsplit 1 - acceleration/energy drift too large 2.74481026144746 - 15.5635977279567 split increased to 2 itime 9154 + acceleration/energy drift too large 2.43312411510038 + 11.0394351026467 split increased to 2 itime 7656 itsplit 1 -Velocities reset to random values, time 1999.80 - acceleration/energy drift too large 14.0404045922975 - 68.7798479910309 split increased to 2 itime 10160 - itsplit 1 - acceleration/energy drift too large 1.50316818806266 - 10.5002113048853 split increased to 2 itime 10590 - itsplit 1 - acceleration/energy drift too large 5.43166515803004 - 13.9130864336143 split increased to 2 itime 11052 - itsplit 1 - acceleration/energy drift too large 4.18833595053208 - 22.5560767264168 split increased to 2 itime 12025 - itsplit 1 - acceleration/energy drift too large 5.05652196479640 - 14.4921485139768 split increased to 2 itime 13325 + acceleration/energy drift too large 4.81803111291750 + 21.0032130702992 split increased to 2 itime 8920 itsplit 1 - acceleration/energy drift too large 4.45939796981960 - 16.5366763212833 split increased to 2 itime 15176 + acceleration/energy drift too large 4.07939616361409 + 10.0790452176611 split increased to 2 itime 9380 itsplit 1 - acceleration/energy drift too large 2.65463078527267 - 16.4090157418096 split increased to 2 itime 16444 +Velocities reset to random values, time 1999.80 + acceleration/energy drift too large 6.66418420870744 + 21.5938845286491 split increased to 2 itime 10016 itsplit 1 - acceleration/energy drift too large 4.83718887683354 - 14.1174528410817 split increased to 2 itime 17097 + acceleration/energy drift too large 3.68095200707226 + 15.5586218340265 split increased to 2 itime 10666 itsplit 1 - acceleration/energy drift too large 6.31119970893411 - 16.8460396165817 split increased to 2 itime 19697 + acceleration/energy drift too large 5.90599793572996 + 13.0354665280818 split increased to 2 itime 11486 itsplit 1 - acceleration/energy drift too large 4.02987312329386 - 10.3471546915559 split increased to 2 itime 19819 + acceleration/energy drift too large 10.9724591435648 + 74.4265540758012 split increased to 2 itime 14539 itsplit 1 - acceleration/energy drift too large 3.99202782706859 - 10.0203344095428 split increased to 2 itime 19834 + acceleration/energy drift too large 2.71641283601661 + 12.1179379049655 split increased to 2 itime 14939 itsplit 1 Velocities reset to random values, time 3999.80 - acceleration/energy drift too large 6.16108168523388 - 17.6884977232375 split increased to 2 itime 22438 - itsplit 1 - acceleration/energy drift too large 2.32814200502473 - 10.4235372979880 split increased to 4 itime 22438 - itsplit 1 - acceleration/energy drift too large 6.04820859670261 - 17.2116778245396 split increased to 2 itime 22949 + acceleration/energy drift too large 10.3473093872846 + 34.5543008831488 split increased to 2 itime 21143 itsplit 1 - acceleration/energy drift too large 9.39321822080475 - 40.3009380499136 split increased to 2 itime 24190 + acceleration/energy drift too large 4.68050809807107 + 14.9223730931786 split increased to 2 itime 22069 itsplit 1 - acceleration/energy drift too large 12.2349397254060 - 65.3702132086642 split increased to 2 itime 25430 + acceleration/energy drift too large 2.18059890033971 + 10.4944818570833 split increased to 2 itime 24403 itsplit 1 - acceleration/energy drift too large 3.56592545350488 - 18.7333147770938 split increased to 2 itime 26054 + acceleration/energy drift too large 4.67257083293288 + 13.5113109246212 split increased to 2 itime 26612 itsplit 1 - acceleration/energy drift too large 4.94539499627627 - 11.7236757967914 split increased to 2 itime 27422 + acceleration/energy drift too large 3.99957559021391 + 11.1625010410242 split increased to 2 itime 27854 itsplit 1 - acceleration/energy drift too large 6.34859604644822 - 15.8808952575016 split increased to 2 itime 28830 - itsplit 1 - acceleration/energy drift too large 7.97849023708925 - 18.7636280341567 split increased to 2 itime 29314 + acceleration/energy drift too large 2.91621212795126 + 10.0823093572567 split increased to 2 itime 28931 itsplit 1 Velocities reset to random values, time 5999.80 - acceleration/energy drift too large 5.71322468319090 - 13.0840605575853 split increased to 2 itime 30269 + acceleration/energy drift too large 4.42898215413087 + 13.4608010060474 split increased to 2 itime 30695 itsplit 1 - acceleration/energy drift too large 6.08204819236797 - 11.5030063880184 split increased to 2 itime 32467 + acceleration/energy drift too large 6.94379103724230 + 12.6426713865156 split increased to 2 itime 31253 itsplit 1 - acceleration/energy drift too large 4.62814684819236 - 15.4269491395818 split increased to 2 itime 33071 + acceleration/energy drift too large 4.62747477734365 + 11.5083593947958 split increased to 2 itime 34085 itsplit 1 - acceleration/energy drift too large 4.70153961675083 - 13.2205867635956 split increased to 2 itime 37548 + acceleration/energy drift too large 4.68897141839130 + 13.8326552337759 split increased to 2 itime 35096 itsplit 1 - acceleration/energy drift too large 4.25311269514877 - 12.1931048233601 split increased to 2 itime 37870 + acceleration/energy drift too large 5.97103225143252 + 16.8958878466461 split increased to 2 itime 36427 itsplit 1 -Velocities reset to random values, time 7999.80 - acceleration/energy drift too large 3.85720530076065 - 10.7533701949358 split increased to 2 itime 40923 + acceleration/energy drift too large 2.83361041343637 + 10.1870138704729 split increased to 2 itime 38962 itsplit 1 - acceleration/energy drift too large 4.70796821872959 - 10.0261038188810 split increased to 2 itime 42324 + acceleration/energy drift too large 5.43761141917189 + 28.6215916436732 split increased to 2 itime 39573 itsplit 1 - acceleration/energy drift too large 3.96818438961114 - 10.8885252102699 split increased to 2 itime 42612 +Velocities reset to random values, time 7999.80 + acceleration/energy drift too large 6.71618202835124 + 21.8484426773590 split increased to 2 itime 40048 itsplit 1 - acceleration/energy drift too large 4.09393162352054 - 11.5790376309746 split increased to 2 itime 43050 + acceleration/energy drift too large 4.78839206313862 + 11.3186039976041 split increased to 2 itime 44667 itsplit 1 - acceleration/energy drift too large 4.11712862523380 - 11.0072201435151 split increased to 2 itime 44766 + acceleration/energy drift too large 5.61549338972115 + 13.7712955586614 split increased to 2 itime 45584 itsplit 1 - acceleration/energy drift too large 2.35382036918792 - 13.3099228493673 split increased to 2 itime 45474 + acceleration/energy drift too large 4.88112923518931 + 18.1839033671836 split increased to 2 itime 47542 itsplit 1 - acceleration/energy drift too large 1.94630935135251 - 10.9177661801165 split increased to 2 itime 46476 + acceleration/energy drift too large 4.18508498426990 + 12.0984587147884 split increased to 2 itime 49978 itsplit 1 - acceleration/energy drift too large 2.06980925461797 - 11.8933888628329 split increased to 2 itime 47581 +Velocities reset to random values, time 9999.80 + acceleration/energy drift too large 4.75712658213339 + 12.8868383152177 split increased to 2 itime 53072 itsplit 1 - acceleration/energy drift too large 9.10461204955003 - 26.4122572834987 split increased to 2 itime 47995 + acceleration/energy drift too large 3.47876306053008 + 13.5970323416962 split increased to 2 itime 53659 itsplit 1 - acceleration/energy drift too large 7.65514960946350 - 16.0520658295329 split increased to 2 itime 48706 + acceleration/energy drift too large 12.5497073475896 + 59.5476242197771 split increased to 2 itime 54295 itsplit 1 - acceleration/energy drift too large 5.00524961909485 - 15.1658758532439 split increased to 2 itime 48825 + acceleration/energy drift too large 2.79298033614550 + 14.6471800667417 split increased to 2 itime 55902 itsplit 1 -Velocities reset to random values, time 9999.80 - acceleration/energy drift too large 4.96256603098756 - 18.3691428119523 split increased to 2 itime 51876 + acceleration/energy drift too large 5.69793261864804 + 29.8524758090115 split increased to 2 itime 56302 itsplit 1 - acceleration/energy drift too large 6.17016796366666 - 21.0175151708704 split increased to 2 itime 53149 + acceleration/energy drift too large 3.99009589011978 + 11.5529703605789 split increased to 2 itime 56569 itsplit 1 - acceleration/energy drift too large 5.29951934386337 - 31.9533628880177 split increased to 2 itime 53272 + acceleration/energy drift too large 10.3352019178341 + 47.4155341563090 split increased to 2 itime 57296 itsplit 1 - acceleration/energy drift too large 4.68375061639108 - 12.7060473695889 split increased to 2 itime 53395 + acceleration/energy drift too large 5.20266465897687 + 25.8988823584993 split increased to 2 itime 57497 itsplit 1 - acceleration/energy drift too large 3.20466394431315 - 19.7717416088959 split increased to 2 itime 53446 + acceleration/energy drift too large 4.11983845869502 + 12.3783760780201 split increased to 2 itime 59062 itsplit 1 - acceleration/energy drift too large 4.85961281423604 - 11.0926402202715 split increased to 2 itime 54681 + acceleration/energy drift too large 11.9920958913642 + 50.6698470165182 split increased to 2 itime 59118 itsplit 1 - acceleration/energy drift too large 4.14153258922024 - 12.0395465482629 split increased to 2 itime 56699 + acceleration/energy drift too large 3.61921495016199 + 21.0327786523077 split increased to 4 itime 59118 itsplit 1 - acceleration/energy drift too large 2.72601920768183 - 12.3525016323719 split increased to 2 itime 58003 + acceleration/energy drift too large 3.79669885939645 + 27.9339931572120 split increased to 2 itime 59398 itsplit 1 - acceleration/energy drift too large 6.55696556129599 - 14.2429255435316 split increased to 2 itime 58834 + acceleration/energy drift too large 2.77673368418901 + 15.6216150622078 split increased to 2 itime 59734 itsplit 1 Velocities reset to random values, time 11999.80 - acceleration/energy drift too large 7.12474949730125 - 22.0427565925556 split increased to 2 itime 61766 - itsplit 1 - acceleration/energy drift too large 4.57337960000594 - 13.0230047455612 split increased to 2 itime 61925 - itsplit 1 - acceleration/energy drift too large 5.02909377016599 - 11.6681422766353 split increased to 2 itime 62314 + acceleration/energy drift too large 11.6977569997741 + 63.2873247084235 split increased to 2 itime 61205 itsplit 1 - acceleration/energy drift too large 6.35545410294304 - 13.7955727228278 split increased to 2 itime 62315 - itsplit 1 - acceleration/energy drift too large 3.84637140197231 - 15.8731664253529 split increased to 2 itime 62390 + acceleration/energy drift too large 2.46975302483821 + 11.7868981408189 split increased to 4 itime 61205 + itsplit 2 + acceleration/energy drift too large 4.53441825631752 + 10.9190885782135 split increased to 2 itime 61359 itsplit 1 - acceleration/energy drift too large 7.51463114258450 - 37.0097708173328 split increased to 2 itime 62628 + acceleration/energy drift too large 4.86699382584374 + 17.0301858457051 split increased to 2 itime 61727 itsplit 1 - acceleration/energy drift too large 2.74527858013029 - 18.5089597227240 split increased to 2 itime 63937 + acceleration/energy drift too large 9.80988749733368 + 42.3732888734135 split increased to 2 itime 62697 itsplit 1 - acceleration/energy drift too large 3.02629594123442 - 15.2557094699447 split increased to 2 itime 67453 + acceleration/energy drift too large 7.85116578210938 + 35.9930639017263 split increased to 2 itime 66455 itsplit 1 - acceleration/energy drift too large 4.88402970109660 - 12.8773440495137 split increased to 2 itime 67756 + acceleration/energy drift too large 4.60912609144356 + 19.3357209928814 split increased to 2 itime 69220 itsplit 1 Velocities reset to random values, time 13999.80 - acceleration/energy drift too large 4.64262254089198 - 12.9253616962702 split increased to 2 itime 70092 + acceleration/energy drift too large 4.55975676190419 + 24.4710192583568 split increased to 2 itime 70260 itsplit 1 - acceleration/energy drift too large 6.53041013165571 - 25.3486436718531 split increased to 2 itime 70359 + acceleration/energy drift too large 7.80846468417423 + 40.3800904563876 split increased to 2 itime 70553 itsplit 1 - acceleration/energy drift too large 7.57807972570140 - 25.2793900559892 split increased to 2 itime 72857 + acceleration/energy drift too large 3.64034174015583 + 11.1920434422640 split increased to 2 itime 70723 itsplit 1 - acceleration/energy drift too large 9.29548902353072 - 42.5960306524631 split increased to 2 itime 72991 + acceleration/energy drift too large 6.41647323325635 + 17.9807285521450 split increased to 2 itime 73456 itsplit 1 - acceleration/energy drift too large 5.75244529897706 - 10.9510885251213 split increased to 2 itime 73642 + acceleration/energy drift too large 5.47215788047627 + 12.4059118011065 split increased to 2 itime 75099 itsplit 1 - acceleration/energy drift too large 11.4395965515086 - 60.0948035321383 split increased to 2 itime 74388 + acceleration/energy drift too large 4.51710859123275 + 27.8246337959767 split increased to 2 itime 76406 itsplit 1 - acceleration/energy drift too large 2.22631705367035 - 11.4713659959425 split increased to 2 itime 76683 + acceleration/energy drift too large 4.73984297887243 + 14.9194988064925 split increased to 2 itime 76872 itsplit 1 - acceleration/energy drift too large 9.84608215173027 - 34.3450966126282 split increased to 2 itime 77552 + acceleration/energy drift too large 6.00920853395200 + 16.1779705288285 split increased to 2 itime 77735 itsplit 1 - acceleration/energy drift too large 4.20929349125431 - 17.9775830371482 split increased to 2 itime 79436 + acceleration/energy drift too large 5.99517005323580 + 13.5412080404750 split increased to 2 itime 78579 itsplit 1 - acceleration/energy drift too large 4.61379006684879 - 20.2989056521177 split increased to 2 itime 79589 + acceleration/energy drift too large 4.09979171532423 + 11.1189570526687 split increased to 2 itime 78581 itsplit 1 -Velocities reset to random values, time 15999.80 - acceleration/energy drift too large 5.50108596343538 - 10.6878119019872 split increased to 2 itime 80008 + acceleration/energy drift too large 4.60921688688787 + 14.6775966561977 split increased to 2 itime 78740 + itsplit 1 + acceleration/energy drift too large 3.73747665057647 + 11.0307445827144 split increased to 2 itime 78959 itsplit 1 - acceleration/energy drift too large 2.37118338977475 - 10.3256968971107 split increased to 2 itime 81194 + acceleration/energy drift too large 5.65573169060239 + 18.0894782004693 split increased to 2 itime 79329 itsplit 1 - acceleration/energy drift too large 4.31667605360844 - 15.2052353631072 split increased to 2 itime 83700 + acceleration/energy drift too large 2.79813940370635 + 11.3110696771280 split increased to 2 itime 79740 itsplit 1 - acceleration/energy drift too large 4.82637085599304 - 23.3381873707151 split increased to 2 itime 84232 + acceleration/energy drift too large 6.86540355807712 + 32.0187502316872 split increased to 2 itime 79913 itsplit 1 - acceleration/energy drift too large 4.96954630655769 - 30.7957769669266 split increased to 2 itime 84269 +Velocities reset to random values, time 15999.80 + acceleration/energy drift too large 7.16413888935177 + 19.9345951368944 split increased to 2 itime 81293 itsplit 1 - acceleration/energy drift too large 3.85455979578227 - 13.9604757007354 split increased to 2 itime 84376 + acceleration/energy drift too large 5.27812212634208 + 10.2693135846209 split increased to 2 itime 82876 itsplit 1 - acceleration/energy drift too large 2.67927691395306 - 12.2165085498758 split increased to 2 itime 86011 + acceleration/energy drift too large 11.9363698049352 + 59.3189559290204 split increased to 2 itime 83141 itsplit 1 - acceleration/energy drift too large 2.91031747948615 - 13.1206077770531 split increased to 2 itime 86348 + acceleration/energy drift too large 6.14705387814686 + 11.0648999977016 split increased to 2 itime 85055 itsplit 1 - acceleration/energy drift too large 6.77072466643258 - 18.4549273126829 split increased to 2 itime 88337 + acceleration/energy drift too large 3.52652014997376 + 12.1125084506798 split increased to 2 itime 88885 itsplit 1 - acceleration/energy drift too large 5.03953151137243 - 12.7177514592325 split increased to 2 itime 89436 + acceleration/energy drift too large 3.31124587517360 + 27.8877432233392 split increased to 2 itime 89949 itsplit 1 Velocities reset to random values, time 17999.80 - acceleration/energy drift too large 2.11777019420856 - 10.7749222926264 split increased to 2 itime 92164 + acceleration/energy drift too large 4.24485277081510 + 10.2516723831682 split increased to 2 itime 95709 itsplit 1 - acceleration/energy drift too large 1.90319180289364 - 10.2714078201419 split increased to 2 itime 94344 + acceleration/energy drift too large 5.97480262204672 + 17.4683720416003 split increased to 2 itime 98117 itsplit 1 - acceleration/energy drift too large 4.49449982744576 - 16.6526232289962 split increased to 2 itime 98465 + acceleration/energy drift too large 5.91600565384317 + 18.3171449176164 split increased to 2 itime 99745 itsplit 1 Velocities reset to random values, time 19999.80 REMD synchro at 100000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 40.7031250000000 0.000000000000000E+000 + REMD gather times= 36.2500000000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 1.00000 1 -ACC 2 260.00000 0.00000 1 -ACC 3 270.00000 1.00000 1 +ACC 1 250.00000 0.00000 1 +ACC 2 260.00000 1.00000 1 +ACC 3 270.00000 0.00000 1 ACC 4 280.00000 1.00000 1 -ACC 5 290.00000 1.00000 1 +ACC 5 290.00000 0.00000 1 ACC 6 300.00000 1.00000 1 ACC 7 310.00000 0.00000 1 -ACC 8 320.00000 1.00000 1 -ACC 9 330.00000 1.00000 1 -ACC 10 340.00000 0.00000 1 -ACC 11 350.00000 1.00000 1 -ACC 12 360.00000 1.00000 1 -ACC 13 370.00000 1.00000 1 -ACC 14 380.00000 1.00000 1 -ACC 15 390.00000 1.00000 1 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 4.35448070508831 - 13.8446433589411 split increased to 2 itime 100323 - itsplit 1 - acceleration/energy drift too large 9.10122520864291 - 38.0141323325797 split increased to 2 itime 103166 - itsplit 1 - acceleration/energy drift too large 7.33321494991676 - 17.4365905621355 split increased to 2 itime 103334 + acceleration/energy drift too large 4.17934371249592 + 10.2087980556613 split increased to 2 itime 101423 itsplit 1 - acceleration/energy drift too large 4.03416178930275 - 14.7407403165802 split increased to 2 itime 104813 + acceleration/energy drift too large 6.71902465393580 + 21.3954448227706 split increased to 2 itime 103088 itsplit 1 - acceleration/energy drift too large 5.07776178961767 - 24.5089488434180 split increased to 2 itime 107051 + acceleration/energy drift too large 4.14212052145930 + 10.2477771121734 split increased to 2 itime 103265 itsplit 1 - acceleration/energy drift too large 5.83433628505584 - 11.0882735379548 split increased to 2 itime 107519 + acceleration/energy drift too large 2.86270849799843 + 16.9928188701110 split increased to 2 itime 106414 itsplit 1 - acceleration/energy drift too large 2.58209681131064 - 16.9909667876258 split increased to 2 itime 107763 + acceleration/energy drift too large 4.53177559730538 + 11.4104194143493 split increased to 2 itime 106443 itsplit 1 - acceleration/energy drift too large 4.83068352453098 - 17.4988377320686 split increased to 2 itime 107878 + acceleration/energy drift too large 4.18378287308024 + 14.5005011242331 split increased to 2 itime 108779 itsplit 1 - acceleration/energy drift too large 4.32781910400729 - 19.6525957626685 split increased to 2 itime 108393 + acceleration/energy drift too large 3.22598315055832 + 12.6610528117019 split increased to 2 itime 108794 itsplit 1 - acceleration/energy drift too large 4.92725474578742 - 27.3936140459521 split increased to 2 itime 108690 + acceleration/energy drift too large 6.46842098075620 + 29.2446490055127 split increased to 2 itime 109179 itsplit 1 - acceleration/energy drift too large 6.04694829592555 - 14.0820008455919 split increased to 2 itime 108824 + acceleration/energy drift too large 7.33198987418711 + 23.8784665864745 split increased to 2 itime 109588 itsplit 1 Velocities reset to random values, time 21999.80 - acceleration/energy drift too large 2.31334984161789 - 11.0510007802944 split increased to 2 itime 113675 - itsplit 1 - acceleration/energy drift too large 9.08574561915987 - 36.2334279426986 split increased to 2 itime 113795 - itsplit 1 - acceleration/energy drift too large 2.85772593867820 - 20.5985997257337 split increased to 2 itime 115172 + acceleration/energy drift too large 12.5936324735008 + 87.4904660594213 split increased to 2 itime 113586 itsplit 1 - acceleration/energy drift too large 5.63586016608634 - 13.3027742623851 split increased to 2 itime 115983 + acceleration/energy drift too large 9.96659194231295 + 46.1392240601901 split increased to 2 itime 116192 itsplit 1 - acceleration/energy drift too large 6.20811917219129 - 16.7692644070182 split increased to 2 itime 117311 + acceleration/energy drift too large 11.8914785394874 + 59.8677405548742 split increased to 2 itime 116349 itsplit 1 - acceleration/energy drift too large 7.62107699311359 - 30.3679961139096 split increased to 2 itime 117654 + acceleration/energy drift too large 5.74898746466435 + 19.5388584806490 split increased to 2 itime 116536 itsplit 1 Velocities reset to random values, time 23999.80 - acceleration/energy drift too large 3.13359422976402 - 16.7704903423790 split increased to 2 itime 122162 + acceleration/energy drift too large 5.27745777452504 + 31.1714351371525 split increased to 2 itime 120098 itsplit 1 - acceleration/energy drift too large 5.39673707607405 - 12.4650082655816 split increased to 2 itime 125438 + acceleration/energy drift too large 3.74543181540312 + 11.4501789286516 split increased to 2 itime 121372 itsplit 1 - acceleration/energy drift too large 5.68067325824305 - 19.5477835104925 split increased to 2 itime 125841 + acceleration/energy drift too large 3.42803679687951 + 10.4959823465339 split increased to 2 itime 122933 itsplit 1 - acceleration/energy drift too large 5.28867228957150 - 12.8872218727007 split increased to 2 itime 126987 + acceleration/energy drift too large 3.49991890383070 + 10.5249566301708 split increased to 2 itime 125013 itsplit 1 - acceleration/energy drift too large 5.23392675566275 - 15.8307586052208 split increased to 2 itime 127635 + acceleration/energy drift too large 1.62769767300833 + 10.2654135133016 split increased to 2 itime 125778 itsplit 1 - acceleration/energy drift too large 4.22226038060222 - 11.4869896794526 split increased to 2 itime 128683 + acceleration/energy drift too large 8.02663035272936 + 28.7121451621578 split increased to 2 itime 127472 + itsplit 1 + acceleration/energy drift too large 5.76835440350828 + 16.2551352006392 split increased to 2 itime 128267 itsplit 1 Velocities reset to random values, time 25999.80 - acceleration/energy drift too large 10.2897108060629 - 47.2655773405908 split increased to 2 itime 131897 + acceleration/energy drift too large 4.26687635787808 + 21.0554157683873 split increased to 2 itime 130149 + itsplit 1 + acceleration/energy drift too large 5.75196353669746 + 21.0282115191182 split increased to 2 itime 131582 itsplit 1 - acceleration/energy drift too large 4.63961305374192 - 19.7877922019811 split increased to 2 itime 132475 + acceleration/energy drift too large 5.71225739264991 + 17.4431655364789 split increased to 2 itime 134927 itsplit 1 - acceleration/energy drift too large 3.79191474848373 - 11.2296364330073 split increased to 2 itime 133469 + acceleration/energy drift too large 5.19150413007089 + 12.5228239503872 split increased to 2 itime 136152 itsplit 1 - acceleration/energy drift too large 5.55808496076198 - 13.0888388315887 split increased to 2 itime 134208 + acceleration/energy drift too large 4.10344093002948 + 10.1974794364621 split increased to 2 itime 136201 itsplit 1 - acceleration/energy drift too large 3.40324385673822 - 10.9946173158140 split increased to 2 itime 135224 + acceleration/energy drift too large 8.33484155957757 + 32.3010736264777 split increased to 2 itime 138680 itsplit 1 - acceleration/energy drift too large 2.40033467565452 - 14.5839349222692 split increased to 2 itime 135587 + acceleration/energy drift too large 9.95247089094314 + 48.7767668973380 split increased to 2 itime 139931 itsplit 1 - acceleration/energy drift too large 2.20051529212891 - 12.1343147458011 split increased to 2 itime 137113 + acceleration/energy drift too large 5.38344665405407 + 14.7640285789114 split increased to 2 itime 139971 itsplit 1 Velocities reset to random values, time 27999.80 - acceleration/energy drift too large 1.51243590564560 - 10.4125643397107 split increased to 2 itime 141421 + acceleration/energy drift too large 6.92454139115629 + 21.1486706765611 split increased to 2 itime 145643 itsplit 1 - acceleration/energy drift too large 2.24851777080701 - 12.8862673504551 split increased to 2 itime 142525 + acceleration/energy drift too large 4.86579607797770 + 10.9031578146394 split increased to 2 itime 145684 itsplit 1 - acceleration/energy drift too large 1.86181300710243 - 11.9943618375029 split increased to 2 itime 143745 + acceleration/energy drift too large 10.4049227474072 + 50.4461596058441 split increased to 2 itime 146872 itsplit 1 - acceleration/energy drift too large 3.34931468736467 - 13.1747705305961 split increased to 2 itime 144553 + acceleration/energy drift too large 9.66912720741505 + 40.2511172663848 split increased to 2 itime 146885 itsplit 1 - acceleration/energy drift too large 5.45961170533437 - 16.3411696913215 split increased to 2 itime 145648 + acceleration/energy drift too large 4.10603477183141 + 10.2592827770631 split increased to 2 itime 147851 itsplit 1 - acceleration/energy drift too large 5.03682432677429 - 13.1728740518157 split increased to 2 itime 147537 + acceleration/energy drift too large 3.32786560673785 + 11.4343977501449 split increased to 2 itime 148254 itsplit 1 - acceleration/energy drift too large 2.94172430796647 - 10.6658719607246 split increased to 2 itime 148657 + acceleration/energy drift too large 7.13366226502833 + 19.3187834113476 split increased to 2 itime 149157 itsplit 1 Velocities reset to random values, time 29999.80 - acceleration/energy drift too large 3.36012645724516 - 18.2415358505736 split increased to 2 itime 150136 - itsplit 1 - acceleration/energy drift too large 4.50367798267562 - 10.9513549551997 split increased to 2 itime 152854 + acceleration/energy drift too large 8.61253430854444 + 27.5853218013283 split increased to 2 itime 150109 itsplit 1 - acceleration/energy drift too large 6.64432852014870 - 23.2809343576262 split increased to 2 itime 154938 + acceleration/energy drift too large 3.70094843167902 + 11.1574520571740 split increased to 2 itime 150644 itsplit 1 - acceleration/energy drift too large 9.68701714425696 - 27.7131509314324 split increased to 2 itime 157526 + acceleration/energy drift too large 9.27954411997396 + 42.8271931527937 split increased to 2 itime 152413 itsplit 1 - acceleration/energy drift too large 5.02180381636210 - 15.2005372941025 split increased to 2 itime 158091 + acceleration/energy drift too large 9.07358342527929 + 39.9592125188052 split increased to 2 itime 152606 itsplit 1 - acceleration/energy drift too large 9.98212667355771 - 40.9197199265875 split increased to 2 itime 158606 + acceleration/energy drift too large 12.3840314146633 + 80.9091265722396 split increased to 2 itime 152976 itsplit 1 - acceleration/energy drift too large 5.92400546526831 - 10.8486740550381 split increased to 2 itime 158607 - itsplit 1 -Velocities reset to random values, time 31999.80 - acceleration/energy drift too large 6.63677126385129 - 13.4519710405256 split increased to 2 itime 161183 + acceleration/energy drift too large 8.03674716703662 + 19.0423791109267 split increased to 2 itime 153496 itsplit 1 - acceleration/energy drift too large 9.02309977671454 - 43.4743141599911 split increased to 2 itime 162685 + acceleration/energy drift too large 10.9441731490924 + 70.7969532343361 split increased to 2 itime 154322 itsplit 1 - acceleration/energy drift too large 10.7477627647307 - 56.5206090523827 split increased to 2 itime 164614 + acceleration/energy drift too large 5.63538934002938 + 16.8810313722527 split increased to 2 itime 155330 itsplit 1 - acceleration/energy drift too large 4.37339566286833 - 11.9320848031680 split increased to 2 itime 164825 + acceleration/energy drift too large 9.12413362358831 + 38.5879973413810 split increased to 2 itime 156278 itsplit 1 - acceleration/energy drift too large 6.31903118179166 - 27.2735446963399 split increased to 2 itime 166474 + acceleration/energy drift too large 3.54884909974270 + 13.7105045875476 split increased to 2 itime 157041 itsplit 1 - acceleration/energy drift too large 9.56855466219324 - 41.3133616825764 split increased to 2 itime 166745 + acceleration/energy drift too large 5.59432418771144 + 21.9515384306560 split increased to 2 itime 157516 itsplit 1 - acceleration/energy drift too large 3.29687662847975 - 10.3954562349500 split increased to 2 itime 167046 + acceleration/energy drift too large 4.62578893816751 + 10.2865537213298 split increased to 2 itime 158062 itsplit 1 - acceleration/energy drift too large 9.29598597418801 - 41.1802372258857 split increased to 2 itime 167521 + acceleration/energy drift too large 4.11565656426364 + 12.0791912207021 split increased to 2 itime 158284 itsplit 1 - acceleration/energy drift too large 2.42206525721097 - 13.4448009896313 split increased to 2 itime 168510 - itsplit 1 - acceleration/energy drift too large 2.55136709205292 - 15.5962530869405 split increased to 2 itime 169889 - itsplit 1 -Velocities reset to random values, time 33999.80 - acceleration/energy drift too large 8.83122990483117 - 22.6521215967247 split increased to 2 itime 170303 - itsplit 1 - acceleration/energy drift too large 9.21009913786138 - 37.6561438646460 split increased to 2 itime 170521 - itsplit 1 - acceleration/energy drift too large 3.48739909254491 - 10.1034471242695 split increased to 2 itime 171396 +Velocities reset to random values, time 31999.80 + acceleration/energy drift too large 7.53829684111133 + 23.7138416238186 split increased to 2 itime 162661 itsplit 1 - acceleration/energy drift too large 6.98696370027955 - 23.8374696957620 split increased to 2 itime 171515 + acceleration/energy drift too large 3.68039447986369 + 10.8493549903618 split increased to 2 itime 163128 itsplit 1 - acceleration/energy drift too large 3.35531610328897 - 10.9981633001393 split increased to 2 itime 171580 + acceleration/energy drift too large 4.73375232142101 + 22.3426085113575 split increased to 2 itime 164229 itsplit 1 - acceleration/energy drift too large 8.07241169933481 - 39.9957178029709 split increased to 2 itime 172646 + acceleration/energy drift too large 4.98108202510207 + 10.2970808837868 split increased to 2 itime 166483 itsplit 1 - acceleration/energy drift too large 3.74425066749434 - 10.7421718827410 split increased to 2 itime 173898 + acceleration/energy drift too large 2.38771188924716 + 12.4938234695248 split increased to 2 itime 169248 itsplit 1 - acceleration/energy drift too large 4.09077031120363 - 20.4138189459720 split increased to 2 itime 174085 + acceleration/energy drift too large 6.03612678738474 + 14.7485673123609 split increased to 2 itime 169388 itsplit 1 - acceleration/energy drift too large 6.26747919763318 - 19.3655660658169 split increased to 2 itime 174385 + acceleration/energy drift too large 4.81614016976549 + 13.3459720364540 split increased to 2 itime 169904 itsplit 1 - acceleration/energy drift too large 5.12079076084499 - 19.8211658321753 split increased to 2 itime 174408 +Velocities reset to random values, time 33999.80 + acceleration/energy drift too large 11.1863120783663 + 59.7648057491176 split increased to 2 itime 170272 itsplit 1 - acceleration/energy drift too large 11.6070059234368 - 56.7944264555530 split increased to 2 itime 174542 + acceleration/energy drift too large 4.22635634892026 + 12.4173810129555 split increased to 2 itime 171250 itsplit 1 - acceleration/energy drift too large 5.64271108431878 - 16.1575599927218 split increased to 2 itime 177089 + acceleration/energy drift too large 6.51075905485718 + 29.3370933336613 split increased to 2 itime 172422 itsplit 1 - acceleration/energy drift too large 5.92551738900429 - 26.4343943067627 split increased to 2 itime 177561 + acceleration/energy drift too large 3.72436301158339 + 13.1813497433787 split increased to 2 itime 175901 itsplit 1 - acceleration/energy drift too large 4.99199180829665 - 13.7084327060582 split increased to 2 itime 177843 + acceleration/energy drift too large 6.49242466246178 + 22.4643419565737 split increased to 2 itime 177269 itsplit 1 - acceleration/energy drift too large 4.32576336099416 - 12.1621048922766 split increased to 2 itime 178120 + acceleration/energy drift too large 4.84403091443775 + 11.9269929781721 split increased to 2 itime 177607 itsplit 1 - acceleration/energy drift too large 4.94170430783359 - 11.9934943440670 split increased to 2 itime 178559 + acceleration/energy drift too large 5.45918271497128 + 14.6298238815097 split increased to 2 itime 178006 itsplit 1 - acceleration/energy drift too large 4.63063674500056 - 15.2037357814957 split increased to 2 itime 179629 + acceleration/energy drift too large 2.47703475420302 + 13.0691738661979 split increased to 2 itime 178182 itsplit 1 Velocities reset to random values, time 35999.80 - acceleration/energy drift too large 2.40543951143176 - 13.6095987658594 split increased to 2 itime 183487 + acceleration/energy drift too large 2.15267743115097 + 10.1387265435545 split increased to 2 itime 180802 itsplit 1 - acceleration/energy drift too large 7.59166874978070 - 16.9312036859759 split increased to 2 itime 185431 + acceleration/energy drift too large 6.00127006621709 + 21.4834057073722 split increased to 2 itime 181683 itsplit 1 - acceleration/energy drift too large 4.73780332337024 - 11.9427673447535 split increased to 2 itime 189811 - itsplit 1 -Velocities reset to random values, time 37999.80 - acceleration/energy drift too large 4.51385244779712 - 13.3188888785989 split increased to 2 itime 190291 + acceleration/energy drift too large 2.97774842526374 + 10.2972718822312 split increased to 2 itime 185454 itsplit 1 - acceleration/energy drift too large 5.43517833888924 - 13.1128761945997 split increased to 2 itime 190475 + acceleration/energy drift too large 8.33842833469842 + 35.4392209638254 split increased to 2 itime 187234 itsplit 1 - acceleration/energy drift too large 6.61543911793257 - 18.7309363335260 split increased to 2 itime 191542 - itsplit 1 - acceleration/energy drift too large 10.2079615199183 - 55.0917389987583 split increased to 2 itime 191713 - itsplit 1 - acceleration/energy drift too large 9.54919131748580 - 53.1830142226373 split increased to 2 itime 193417 - itsplit 1 - acceleration/energy drift too large 5.22498373776129 - 13.9161593831138 split increased to 2 itime 193823 - itsplit 1 - acceleration/energy drift too large 4.90175789355778 - 17.9210202820440 split increased to 2 itime 195121 +Velocities reset to random values, time 37999.80 + acceleration/energy drift too large 2.11847635439945 + 12.5035198858907 split increased to 2 itime 191238 itsplit 1 - acceleration/energy drift too large 5.02477140817033 - 15.0376588234653 split increased to 2 itime 195906 + acceleration/energy drift too large 4.77203498579132 + 10.4110744029588 split increased to 2 itime 191912 itsplit 1 - acceleration/energy drift too large 7.29923138334724 - 23.1812204832951 split increased to 2 itime 195965 + acceleration/energy drift too large 4.54453027233017 + 10.0356167131970 split increased to 2 itime 196957 itsplit 1 - acceleration/energy drift too large 5.71234101740440 - 28.1120096098226 split increased to 2 itime 196182 + acceleration/energy drift too large 6.68580290496276 + 13.9181720836976 split increased to 2 itime 198376 itsplit 1 Velocities reset to random values, time 39999.80 REMD synchro at 200000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 81.4960937500000 0.000000000000000E+000 + REMD gather times= 71.6328125000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.50000 2 -ACC 2 260.00000 0.00000 2 -ACC 3 270.00000 1.00000 2 +ACC 2 260.00000 0.50000 2 +ACC 3 270.00000 0.50000 2 ACC 4 280.00000 0.50000 2 -ACC 5 290.00000 1.00000 2 +ACC 5 290.00000 0.50000 2 ACC 6 300.00000 1.00000 2 ACC 7 310.00000 0.00000 2 -ACC 8 320.00000 1.00000 2 -ACC 9 330.00000 1.00000 2 -ACC 10 340.00000 0.50000 2 -ACC 11 350.00000 0.50000 2 -ACC 12 360.00000 1.00000 2 -ACC 13 370.00000 1.00000 2 -ACC 14 380.00000 1.00000 2 -ACC 15 390.00000 1.00000 2 - REMD scatter time= 3.906250000000000E-003 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 3.64029108679463 - 11.5808204189943 split increased to 2 itime 200127 - itsplit 1 - acceleration/energy drift too large 7.84893539743313 - 20.2866410836206 split increased to 2 itime 200971 - itsplit 1 - acceleration/energy drift too large 8.61828598982526 - 31.2234501134643 split increased to 2 itime 200991 - itsplit 1 - acceleration/energy drift too large 3.90898684769792 - 12.8182943612382 split increased to 2 itime 201106 - itsplit 1 - acceleration/energy drift too large 4.99620821795401 - 31.4141118797693 split increased to 2 itime 202501 - itsplit 1 - acceleration/energy drift too large 4.11614735585937 - 12.1594147833547 split increased to 2 itime 203548 - itsplit 1 - acceleration/energy drift too large 8.21142321791518 - 27.3137190575929 split increased to 2 itime 203955 - itsplit 1 - acceleration/energy drift too large 4.08842412054590 - 11.4467897768593 split increased to 2 itime 204624 - itsplit 1 - acceleration/energy drift too large 2.91511126819742 - 10.4004748089627 split increased to 2 itime 204625 - itsplit 1 - acceleration/energy drift too large 7.97609970177051 - 17.0341262811947 split increased to 2 itime 206420 - itsplit 1 - acceleration/energy drift too large 3.93332263000041 - 10.8824839165261 split increased to 2 itime 206962 - itsplit 1 - acceleration/energy drift too large 2.11294819353670 - 14.7854318315743 split increased to 2 itime 207256 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 4.28824679374231 + 15.9024345396924 split increased to 2 itime 203955 itsplit 1 - acceleration/energy drift too large 4.44706169021173 - 14.5530567176186 split increased to 2 itime 208568 + acceleration/energy drift too large 11.5070215187700 + 49.0944611940841 split increased to 2 itime 206633 itsplit 1 - acceleration/energy drift too large 5.01020364970164 - 12.6036747656131 split increased to 2 itime 208643 + acceleration/energy drift too large 4.25420846851809 + 19.2618974919655 split increased to 2 itime 208677 itsplit 1 Velocities reset to random values, time 41999.80 - acceleration/energy drift too large 5.78150176725295 - 33.3137796486345 split increased to 2 itime 212347 + acceleration/energy drift too large 4.42756160603751 + 12.1432104892410 split increased to 2 itime 211054 itsplit 1 - acceleration/energy drift too large 2.48833566613545 - 10.2949905328240 split increased to 2 itime 214105 + acceleration/energy drift too large 3.93803017668554 + 12.9995639284346 split increased to 2 itime 211548 itsplit 1 - acceleration/energy drift too large 3.64618927235946 - 18.7503821421103 split increased to 2 itime 214302 + acceleration/energy drift too large 3.98219757951759 + 11.4387219238157 split increased to 2 itime 211794 itsplit 1 - acceleration/energy drift too large 3.07400599095336 - 11.3383323166579 split increased to 2 itime 215814 + acceleration/energy drift too large 6.74562724450386 + 23.7269067121340 split increased to 2 itime 211853 itsplit 1 - acceleration/energy drift too large 4.42973008487847 - 20.3411262897984 split increased to 2 itime 216252 + acceleration/energy drift too large 3.33375053166125 + 13.4060503272758 split increased to 2 itime 212010 itsplit 1 - acceleration/energy drift too large 5.62920671173806 - 32.2983009905205 split increased to 2 itime 218037 + acceleration/energy drift too large 5.54655824249891 + 13.6861742700047 split increased to 2 itime 212655 itsplit 1 - acceleration/energy drift too large 5.45527892756425 - 21.9773808882954 split increased to 2 itime 219345 + acceleration/energy drift too large 8.65875252931396 + 31.0592471454060 split increased to 2 itime 215653 itsplit 1 - acceleration/energy drift too large 4.15721010187859 - 20.5697747905902 split increased to 2 itime 219966 + acceleration/energy drift too large 2.38868921064322 + 11.8732731355337 split increased to 4 itime 215653 itsplit 1 - acceleration/energy drift too large 5.33603019769579 - 30.3679010229435 split increased to 2 itime 219983 + acceleration/energy drift too large 4.13861739703409 + 15.0393024187417 split increased to 2 itime 216215 itsplit 1 -Velocities reset to random values, time 43999.80 - acceleration/energy drift too large 7.86255698363788 - 24.2910471349705 split increased to 2 itime 221224 - itsplit 1 - acceleration/energy drift too large 4.63244311550015 - 18.0541134191384 split increased to 2 itime 221403 + acceleration/energy drift too large 13.0824596115316 + 87.3487656723842 split increased to 2 itime 216987 itsplit 1 - acceleration/energy drift too large 13.1527124335790 - 77.1748219974411 split increased to 2 itime 222333 + acceleration/energy drift too large 3.68471318880415 + 11.6022525949795 split increased to 2 itime 217361 itsplit 1 - acceleration/energy drift too large 2.56016933409559 - 17.6552737911425 split increased to 2 itime 222334 + acceleration/energy drift too large 4.29742192919371 + 11.8243734314081 split increased to 2 itime 219180 itsplit 1 - acceleration/energy drift too large 7.40887283834941 - 30.7362315013208 split increased to 2 itime 222409 + acceleration/energy drift too large 3.60721449790466 + 23.9150932473967 split increased to 2 itime 219681 itsplit 1 - acceleration/energy drift too large 3.83870075950039 - 13.5024094254713 split increased to 2 itime 222526 +Velocities reset to random values, time 43999.80 + acceleration/energy drift too large 3.33627355546214 + 13.2219234916190 split increased to 2 itime 222420 itsplit 1 - acceleration/energy drift too large 2.97288409075136 - 12.0415711331916 split increased to 2 itime 223341 + acceleration/energy drift too large 3.31828441589017 + 29.9913316610760 split increased to 2 itime 223066 itsplit 1 - acceleration/energy drift too large 4.83229449875740 - 21.6789948138393 split increased to 2 itime 223849 + acceleration/energy drift too large 6.76979229732437 + 21.5348739163739 split increased to 2 itime 223479 itsplit 1 - acceleration/energy drift too large 6.29460704954891 - 45.4627654416730 split increased to 2 itime 224172 + acceleration/energy drift too large 5.16129457674116 + 20.3965539824570 split increased to 2 itime 224693 itsplit 1 - acceleration/energy drift too large 4.41765622249369 - 11.2907156327815 split increased to 2 itime 225102 + acceleration/energy drift too large 5.94345605345744 + 25.0442084158658 split increased to 2 itime 225774 itsplit 1 - acceleration/energy drift too large 4.17195687990816 - 16.4423114033335 split increased to 2 itime 225108 + acceleration/energy drift too large 2.19690875631684 + 10.3337725856093 split increased to 2 itime 226933 itsplit 1 - acceleration/energy drift too large 4.97740142086614 - 10.4943627686938 split increased to 2 itime 228677 + acceleration/energy drift too large 4.91983141507266 + 15.9760155346718 split increased to 2 itime 228380 itsplit 1 Velocities reset to random values, time 45999.80 - acceleration/energy drift too large 4.27127350688728 - 16.0133778665926 split increased to 2 itime 230839 - itsplit 1 - acceleration/energy drift too large 3.84238305207740 - 15.3160425709751 split increased to 2 itime 233269 - itsplit 1 - acceleration/energy drift too large 5.96490424978640 - 35.8849072535118 split increased to 2 itime 233417 - itsplit 1 - acceleration/energy drift too large 0.969965490275774 - 15.0758079154002 split increased to 2 itime 233418 - itsplit 1 - acceleration/energy drift too large 7.37427950936088 - 53.9441579641732 split increased to 2 itime 233886 - itsplit 1 - acceleration/energy drift too large 9.41795446120100 - 46.6923483267551 split increased to 2 itime 234145 - itsplit 1 - acceleration/energy drift too large 5.72509711572049 - 31.9842401234587 split increased to 2 itime 234299 - itsplit 1 - acceleration/energy drift too large 5.04462270994681 - 11.9549114696995 split increased to 2 itime 236561 - itsplit 1 - acceleration/energy drift too large 4.77591180817061 - 15.8503289913584 split increased to 2 itime 236970 - itsplit 1 - acceleration/energy drift too large 9.56031823597878 - 38.5355027802804 split increased to 2 itime 237148 - itsplit 1 - acceleration/energy drift too large 2.55298889382046 - 10.1810238981961 split increased to 4 itime 237148 - itsplit 1 - acceleration/energy drift too large 5.07272249032121 - 16.1665416130016 split increased to 2 itime 237638 - itsplit 1 - acceleration/energy drift too large 5.27519412971984 - 24.3386506952302 split increased to 2 itime 237641 - itsplit 1 - acceleration/energy drift too large 3.76916747155580 - 19.3249777140934 split increased to 2 itime 238007 - itsplit 1 - acceleration/energy drift too large 9.50976115289862 - 35.9477138344235 split increased to 2 itime 238272 - itsplit 1 - acceleration/energy drift too large 8.52032923205173 - 36.0891822567616 split increased to 2 itime 238339 + acceleration/energy drift too large 3.81815743649710 + 22.9885068902762 split increased to 2 itime 232168 itsplit 1 - acceleration/energy drift too large 4.37531723947444 - 28.2163048638802 split increased to 2 itime 238549 + acceleration/energy drift too large 14.6280804283543 + 77.6150816283755 split increased to 2 itime 233797 itsplit 1 - acceleration/energy drift too large 5.83050845840029 - 62.0343502726120 split increased to 2 itime 238652 + acceleration/energy drift too large 4.46407916101272 + 14.0220478447880 split increased to 2 itime 234624 itsplit 1 - acceleration/energy drift too large 2.94147085871858 - 18.3006940499288 split increased to 2 itime 238653 + acceleration/energy drift too large 8.38669704340697 + 30.6877914748705 split increased to 2 itime 237454 itsplit 1 - acceleration/energy drift too large 5.10273834765773 - 13.3326960926028 split increased to 2 itime 238936 + acceleration/energy drift too large 5.83294203262514 + 15.7113320404459 split increased to 2 itime 238225 itsplit 1 - acceleration/energy drift too large 4.23402871458675 - 18.9050545180794 split increased to 2 itime 239782 + acceleration/energy drift too large 5.16593393898979 + 15.0638815553982 split increased to 2 itime 239998 itsplit 1 Velocities reset to random values, time 47999.80 - acceleration/energy drift too large 3.23999938998729 - 12.9551205421106 split increased to 2 itime 240340 + acceleration/energy drift too large 2.60154319186082 + 13.9937996177110 split increased to 2 itime 241531 itsplit 1 - acceleration/energy drift too large 11.2944817033609 - 62.9989006860680 split increased to 2 itime 240342 + acceleration/energy drift too large 10.7411187511044 + 60.8617920579092 split increased to 2 itime 246833 itsplit 1 - acceleration/energy drift too large 3.60501336178358 - 11.5827695216757 split increased to 2 itime 240549 + acceleration/energy drift too large 6.24387015903579 + 15.0026009999250 split increased to 2 itime 247612 itsplit 1 - acceleration/energy drift too large 8.24479107287119 - 24.3249867142891 split increased to 2 itime 240788 - itsplit 1 - acceleration/energy drift too large 5.78210270383508 - 16.4390937845794 split increased to 2 itime 241766 - itsplit 1 - acceleration/energy drift too large 5.38095702852528 - 30.8541250240317 split increased to 2 itime 242631 - itsplit 1 - acceleration/energy drift too large 3.17985646556209 - 10.6175984679630 split increased to 2 itime 242632 - itsplit 1 - acceleration/energy drift too large 5.61402658474446 - 29.2120104128018 split increased to 2 itime 242875 - itsplit 1 - acceleration/energy drift too large 4.43724922702687 - 22.4636384195783 split increased to 2 itime 246160 - itsplit 1 - acceleration/energy drift too large 8.81223496649992 - 108.925008665967 split increased to 2 itime 246191 - itsplit 1 - acceleration/energy drift too large 7.98152961526920 - 30.4264224879624 split increased to 2 itime 247522 + acceleration/energy drift too large 5.68019416880620 + 13.2409009172324 split increased to 2 itime 248111 itsplit 1 Velocities reset to random values, time 49999.80 - acceleration/energy drift too large 5.05546510683783 - 15.9312413868997 split increased to 2 itime 250021 - itsplit 1 - acceleration/energy drift too large 4.52138789692115 - 19.8559420953666 split increased to 2 itime 250499 - itsplit 1 - acceleration/energy drift too large 9.60363704417643 - 41.0002241451348 split increased to 2 itime 250515 - itsplit 1 - acceleration/energy drift too large 6.81843958352194 - 61.9698421949207 split increased to 2 itime 251527 - itsplit 1 - acceleration/energy drift too large 5.01191955199218 - 18.1865685157832 split increased to 2 itime 251799 - itsplit 1 - acceleration/energy drift too large 7.14483123137104 - 20.7932850361492 split increased to 2 itime 252226 - itsplit 1 - acceleration/energy drift too large 5.31798110030693 - 31.6961813232419 split increased to 2 itime 252461 - itsplit 1 - acceleration/energy drift too large 4.15365906319537 - 12.2946056996686 split increased to 2 itime 252486 - itsplit 1 - acceleration/energy drift too large 3.61167752280191 - 10.1913311809426 split increased to 2 itime 252748 - itsplit 1 - acceleration/energy drift too large 4.40362732277444 - 11.6782656860820 split increased to 2 itime 253114 - itsplit 1 - acceleration/energy drift too large 6.18158963135055 - 46.7178019167412 split increased to 2 itime 253512 - itsplit 1 - acceleration/energy drift too large 5.03393247180098 - 11.3332578439481 split increased to 2 itime 253844 - itsplit 1 - acceleration/energy drift too large 5.30979425206005 - 29.1936964522308 split increased to 2 itime 254633 + acceleration/energy drift too large 8.78619142759571 + 31.2519959089914 split increased to 2 itime 254205 itsplit 1 - acceleration/energy drift too large 3.19686669697974 - 12.9021212289249 split increased to 2 itime 254634 + acceleration/energy drift too large 3.85159761224106 + 10.7656417127982 split increased to 2 itime 254594 itsplit 1 - acceleration/energy drift too large 4.79260254924054 - 28.5667905576579 split increased to 2 itime 255478 + acceleration/energy drift too large 9.17368974856211 + 36.4206673556135 split increased to 2 itime 254895 itsplit 1 - acceleration/energy drift too large 4.65602354960583 - 17.7759492210056 split increased to 2 itime 255953 + acceleration/energy drift too large 4.84456685867435 + 13.8725326375493 split increased to 2 itime 255628 itsplit 1 - acceleration/energy drift too large 11.3169090224622 - 161.243959808749 split increased to 2 itime 257193 + acceleration/energy drift too large 6.54801860403636 + 18.1380505630310 split increased to 2 itime 256835 itsplit 1 - acceleration/energy drift too large 8.06907814347340 - 32.2475694627116 split increased to 2 itime 257260 + acceleration/energy drift too large 8.47620465513786 + 26.8763395361816 split increased to 2 itime 257154 itsplit 1 - acceleration/energy drift too large 2.60388286259137 - 12.1280694685579 split increased to 2 itime 259399 - itsplit 1 - acceleration/energy drift too large 6.45796619230735 - 47.5864464837099 split increased to 2 itime 259484 - itsplit 1 - acceleration/energy drift too large 7.94273027558313 - 66.5456672752248 split increased to 2 itime 259959 + acceleration/energy drift too large 6.77275200180386 + 20.3934307444220 split increased to 2 itime 257781 itsplit 1 Velocities reset to random values, time 51999.80 - acceleration/energy drift too large 3.88797891070357 - 26.3442062749857 split increased to 2 itime 260276 - itsplit 1 - acceleration/energy drift too large 6.99349480011820 - 47.7837841253383 split increased to 2 itime 260301 - itsplit 1 - acceleration/energy drift too large 1.57731869998459 - 11.8990813440203 split increased to 4 itime 260301 - itsplit 1 - acceleration/energy drift too large 4.61447338962169 - 22.9151619947389 split increased to 2 itime 260776 - itsplit 1 - acceleration/energy drift too large 7.17899670696612 - 26.4749022442379 split increased to 2 itime 260862 - itsplit 1 - acceleration/energy drift too large 5.46685601351314 - 17.8321954757611 split increased to 2 itime 261818 - itsplit 1 - acceleration/energy drift too large 8.37501437872455 - 89.1916118826271 split increased to 2 itime 262814 - itsplit 1 - acceleration/energy drift too large 5.22467116630451 - 17.0237090007236 split increased to 2 itime 263665 + acceleration/energy drift too large 5.38455873049256 + 18.6281786760858 split increased to 2 itime 260481 itsplit 1 - acceleration/energy drift too large 5.71210911345283 - 21.1408707305939 split increased to 2 itime 263901 + acceleration/energy drift too large 9.39511280682128 + 38.9938405024220 split increased to 2 itime 261950 itsplit 1 - acceleration/energy drift too large 6.10003549896224 - 23.5490643132228 split increased to 2 itime 263994 + acceleration/energy drift too large 12.1890674484274 + 57.8722579331973 split increased to 2 itime 262599 itsplit 1 - acceleration/energy drift too large 8.20268850051587 - 23.1777812019148 split increased to 2 itime 264177 + acceleration/energy drift too large 2.87448492185831 + 13.0565962684112 split increased to 4 itime 262599 itsplit 1 - acceleration/energy drift too large 3.88188908844422 - 13.9856854971536 split increased to 2 itime 264691 + acceleration/energy drift too large 7.13695485613170 + 21.5710000974874 split increased to 2 itime 263935 itsplit 1 - acceleration/energy drift too large 3.59644744767693 - 23.4348027889077 split increased to 2 itime 265041 + acceleration/energy drift too large 7.22276103168808 + 34.4181620907440 split increased to 2 itime 265504 itsplit 1 - acceleration/energy drift too large 5.85747097230420 - 18.3512257605687 split increased to 2 itime 266239 + acceleration/energy drift too large 6.32478469629741 + 23.2737874831383 split increased to 2 itime 266930 itsplit 1 - acceleration/energy drift too large 2.55022222561286 - 12.8061798642678 split increased to 2 itime 268645 + acceleration/energy drift too large 6.84338505557957 + 19.9395841277614 split increased to 2 itime 267639 itsplit 1 - acceleration/energy drift too large 4.49085679966644 - 16.3684860363880 split increased to 2 itime 269570 + acceleration/energy drift too large 4.63024762192930 + 13.7573093042517 split increased to 2 itime 269217 itsplit 1 Velocities reset to random values, time 53999.80 - acceleration/energy drift too large 5.25274366751194 - 18.4603368822076 split increased to 2 itime 270538 + acceleration/energy drift too large 2.25320397614127 + 11.8478041527716 split increased to 2 itime 270220 itsplit 1 - acceleration/energy drift too large 6.23882492153760 - 17.5633522160038 split increased to 2 itime 272608 + acceleration/energy drift too large 7.00685372699434 + 25.9882440028013 split increased to 2 itime 274882 itsplit 1 - acceleration/energy drift too large 3.85640416013364 - 11.2906373571186 split increased to 2 itime 274105 + acceleration/energy drift too large 7.22794474084599 + 25.1829590397158 split increased to 2 itime 275899 itsplit 1 - acceleration/energy drift too large 2.27744594892197 - 12.2783170997514 split increased to 2 itime 274415 + acceleration/energy drift too large 3.65858900880943 + 10.6803027612343 split increased to 2 itime 278246 itsplit 1 - acceleration/energy drift too large 5.47426144025225 - 36.0315271901256 split increased to 2 itime 276125 - itsplit 1 - acceleration/energy drift too large 3.50232950588160 - 19.7353095226570 split increased to 2 itime 276304 - itsplit 1 - acceleration/energy drift too large 8.17273252379029 - 22.0871395331734 split increased to 2 itime 276917 - itsplit 1 - acceleration/energy drift too large 2.69832241928415 - 11.4024695909039 split increased to 2 itime 276920 - itsplit 1 - acceleration/energy drift too large 5.19830199417168 - 19.2870506887228 split increased to 2 itime 278296 - itsplit 1 - acceleration/energy drift too large 4.06193721784993 - 17.8967177753917 split increased to 2 itime 278400 - itsplit 1 - acceleration/energy drift too large 4.76262838690433 - 16.8576361345615 split increased to 2 itime 279030 - itsplit 1 - acceleration/energy drift too large 6.32215556102713 - 18.6070140960166 split increased to 2 itime 279400 + acceleration/energy drift too large 3.17624689500790 + 10.9690809353355 split increased to 2 itime 279502 itsplit 1 Velocities reset to random values, time 55999.80 - acceleration/energy drift too large 9.53183291554470 - 38.8386245693009 split increased to 2 itime 280549 - itsplit 1 - acceleration/energy drift too large 6.25186221347915 - 24.9729745449266 split increased to 2 itime 284519 - itsplit 1 - acceleration/energy drift too large 3.65361022732287 - 16.6195900592584 split increased to 2 itime 285728 + acceleration/energy drift too large 1.79863713154959 + 12.4632069041500 split increased to 2 itime 281270 itsplit 1 - acceleration/energy drift too large 5.33403394746487 - 26.1281201328799 split increased to 2 itime 285760 + acceleration/energy drift too large 3.16595928584978 + 10.6735486856110 split increased to 2 itime 281293 itsplit 1 - acceleration/energy drift too large 2.62165596395872 - 13.1436333511659 split increased to 2 itime 285761 + acceleration/energy drift too large 2.37565360724797 + 13.6376214050826 split increased to 2 itime 283255 itsplit 1 - acceleration/energy drift too large 5.15436874113173 - 11.9231750150784 split increased to 2 itime 285768 + acceleration/energy drift too large 3.04916527479840 + 26.9480351432954 split increased to 2 itime 283981 itsplit 1 - acceleration/energy drift too large 7.16533442633403 - 20.0645867637737 split increased to 2 itime 287397 + acceleration/energy drift too large 13.5680119696879 + 76.3612786268209 split increased to 2 itime 284175 itsplit 1 - acceleration/energy drift too large 1.91625130967802 - 11.5153196792092 split increased to 2 itime 287722 - itsplit 1 - acceleration/energy drift too large 8.82931554738403 - 34.5773118577314 split increased to 2 itime 287851 - itsplit 1 - acceleration/energy drift too large 3.50626692461012 - 11.9416730995477 split increased to 2 itime 287870 - itsplit 1 - acceleration/energy drift too large 5.24492781059974 - 21.5243431484944 split increased to 2 itime 289264 + acceleration/energy drift too large 3.00470407019815 + 11.0972901074148 split increased to 2 itime 288750 itsplit 1 Velocities reset to random values, time 57999.80 - acceleration/energy drift too large 4.05468605190852 - 10.8682178066819 split increased to 2 itime 290191 - itsplit 1 - acceleration/energy drift too large 9.29502144483686 - 39.1096035695160 split increased to 2 itime 290298 - itsplit 1 - acceleration/energy drift too large 2.31173117760042 - 12.0622389720738 split increased to 2 itime 290299 - itsplit 1 - acceleration/energy drift too large 3.54261923057887 - 13.1195576565950 split increased to 2 itime 290506 - itsplit 1 - acceleration/energy drift too large 5.79536333255481 - 23.5741534507117 split increased to 2 itime 292647 - itsplit 1 - acceleration/energy drift too large 5.99924730273468 - 20.0698313414361 split increased to 2 itime 292718 - itsplit 1 - acceleration/energy drift too large 6.35924310780247 - 16.2280087407269 split increased to 2 itime 292911 - itsplit 1 - acceleration/energy drift too large 5.82423666300645 - 17.4629347582618 split increased to 2 itime 293751 + acceleration/energy drift too large 4.02454396691891 + 21.6905692442210 split increased to 2 itime 291083 itsplit 1 - acceleration/energy drift too large 7.24553177111816 - 32.5662412451276 split increased to 2 itime 294774 + acceleration/energy drift too large 7.42776923705686 + 24.0722374593027 split increased to 2 itime 291941 itsplit 1 - acceleration/energy drift too large 6.36445641210212 - 13.9138433683522 split increased to 2 itime 295849 + acceleration/energy drift too large 4.92124715284875 + 18.1955474023390 split increased to 2 itime 294963 itsplit 1 - acceleration/energy drift too large 4.56658437011661 - 14.1075785477974 split increased to 2 itime 296826 + acceleration/energy drift too large 3.93874682963256 + 11.5113196332049 split increased to 2 itime 296918 itsplit 1 - acceleration/energy drift too large 4.54062199257411 - 10.0371432287181 split increased to 2 itime 297975 + acceleration/energy drift too large 12.6205498963897 + 68.9121432190759 split increased to 2 itime 299075 itsplit 1 - acceleration/energy drift too large 2.58573152638697 - 10.5501840834612 split increased to 2 itime 298375 - itsplit 1 - acceleration/energy drift too large 11.5891608933544 - 64.8807244383626 split increased to 2 itime 298484 - itsplit 1 - acceleration/energy drift too large 6.52639196492389 - 15.5757699308264 split increased to 2 itime 298951 - itsplit 1 - acceleration/energy drift too large 7.79986462023410 - 23.8326950552251 split increased to 2 itime 299991 + acceleration/energy drift too large 9.45492544046721 + 39.0681713386836 split increased to 2 itime 299526 itsplit 1 Velocities reset to random values, time 59999.80 REMD synchro at 300000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 122.675781250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 107.058593750000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.66667 3 -ACC 2 260.00000 0.00000 3 -ACC 3 270.00000 1.00000 3 -ACC 4 280.00000 0.33333 3 -ACC 5 290.00000 1.00000 3 -ACC 6 300.00000 1.00000 3 +ACC 2 260.00000 0.33333 3 +ACC 3 270.00000 0.66667 3 +ACC 4 280.00000 0.66667 3 +ACC 5 290.00000 0.33333 3 +ACC 6 300.00000 0.66667 3 ACC 7 310.00000 0.33333 3 -ACC 8 320.00000 0.66667 3 -ACC 9 330.00000 0.66667 3 -ACC 10 340.00000 0.66667 3 -ACC 11 350.00000 0.33333 3 -ACC 12 360.00000 1.00000 3 -ACC 13 370.00000 1.00000 3 -ACC 14 380.00000 1.00000 3 -ACC 15 390.00000 1.00000 3 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 6.07766675587740 - 10.8241477766531 split increased to 2 itime 300133 - itsplit 1 - acceleration/energy drift too large 4.75846444841410 - 14.5604650991464 split increased to 2 itime 303934 - itsplit 1 - acceleration/energy drift too large 5.22647671248841 - 10.6215557321656 split increased to 2 itime 304175 - itsplit 1 - acceleration/energy drift too large 4.12123751922885 - 10.4884747829284 split increased to 2 itime 304241 + acceleration/energy drift too large 5.76936544439912 + 19.0838779435693 split increased to 2 itime 307292 itsplit 1 - acceleration/energy drift too large 3.44221399788850 - 12.5272103618110 split increased to 2 itime 305570 - itsplit 1 - acceleration/energy drift too large 4.76812859718214 - 11.9262480965619 split increased to 2 itime 306955 - itsplit 1 - acceleration/energy drift too large 4.05763667676570 - 11.6018843772727 split increased to 2 itime 307011 - itsplit 1 - acceleration/energy drift too large 8.57919462477725 - 33.3581529060793 split increased to 2 itime 307097 + acceleration/energy drift too large 6.90305132390753 + 21.4154144608130 split increased to 2 itime 308276 itsplit 1 Velocities reset to random values, time 61999.80 - acceleration/energy drift too large 6.92603373546451 - 23.0425935316238 split increased to 2 itime 311284 + acceleration/energy drift too large 2.94760885377171 + 15.4386292243471 split increased to 2 itime 311360 itsplit 1 - acceleration/energy drift too large 5.69419384421165 - 10.6518772866196 split increased to 2 itime 311518 + acceleration/energy drift too large 2.41165370598991 + 12.2434141324663 split increased to 2 itime 311480 itsplit 1 - acceleration/energy drift too large 4.36921418148261 - 10.5453353318495 split increased to 2 itime 311609 + acceleration/energy drift too large 6.99410584472067 + 22.9808829676835 split increased to 2 itime 313342 itsplit 1 - acceleration/energy drift too large 7.66272761309504 - 27.8487547661130 split increased to 2 itime 312257 + acceleration/energy drift too large 7.07969477121063 + 16.1706180624546 split increased to 2 itime 314959 itsplit 1 - acceleration/energy drift too large 2.63617479536375 - 16.8144269054514 split increased to 2 itime 315902 + acceleration/energy drift too large 6.25608762218935 + 12.4250953051804 split increased to 2 itime 315459 itsplit 1 - acceleration/energy drift too large 5.79319186200584 - 10.1007897717378 split increased to 2 itime 316703 + acceleration/energy drift too large 5.56716554942433 + 23.4944162459756 split increased to 2 itime 317171 itsplit 1 - acceleration/energy drift too large 5.27985600934854 - 18.1388084599452 split increased to 2 itime 319001 + acceleration/energy drift too large 5.55987485028062 + 23.3193498631511 split increased to 2 itime 317258 itsplit 1 - acceleration/energy drift too large 3.16937329679056 - 24.1620605719490 split increased to 2 itime 319172 + acceleration/energy drift too large 7.95163098391601 + 40.2389761023746 split increased to 2 itime 317622 + itsplit 1 + acceleration/energy drift too large 5.63336932172296 + 14.1127001767200 split increased to 2 itime 318926 itsplit 1 Velocities reset to random values, time 63999.80 - acceleration/energy drift too large 3.79058375708654 - 10.4544440528750 split increased to 2 itime 321177 + acceleration/energy drift too large 5.91299826508205 + 11.1698792473658 split increased to 2 itime 321219 itsplit 1 - acceleration/energy drift too large 3.59098679493595 - 12.6293077222021 split increased to 2 itime 325605 + acceleration/energy drift too large 4.46986495027927 + 10.0465175664051 split increased to 2 itime 321974 itsplit 1 - acceleration/energy drift too large 4.83128899002368 - 13.5463157451227 split increased to 2 itime 325964 + acceleration/energy drift too large 10.0063886163363 + 47.2945489425439 split increased to 2 itime 322064 itsplit 1 - acceleration/energy drift too large 2.73760723337011 - 14.6765139285750 split increased to 2 itime 326989 + acceleration/energy drift too large 4.50368925438594 + 28.3856583459787 split increased to 2 itime 323844 itsplit 1 - acceleration/energy drift too large 3.44172973932176 - 13.9426206532177 split increased to 2 itime 328675 + acceleration/energy drift too large 5.98933767527289 + 40.0269385902408 split increased to 2 itime 324390 itsplit 1 - acceleration/energy drift too large 6.06097052407765 - 14.8954531282660 split increased to 2 itime 329720 + acceleration/energy drift too large 6.82610788042039 + 26.0006192592772 split increased to 2 itime 324871 itsplit 1 -Velocities reset to random values, time 65999.80 - acceleration/energy drift too large 5.11344591654875 - 10.8060672290211 split increased to 2 itime 332612 + acceleration/energy drift too large 10.4708996204285 + 52.4128002579814 split increased to 2 itime 325665 itsplit 1 - acceleration/energy drift too large 3.42383979993469 - 22.5718390049174 split increased to 2 itime 332634 + acceleration/energy drift too large 7.66818408696277 + 16.0814352939357 split increased to 2 itime 326117 itsplit 1 - acceleration/energy drift too large 2.67433160861011 - 13.6487718252882 split increased to 2 itime 333274 + acceleration/energy drift too large 5.09447694358737 + 23.3205308830654 split increased to 2 itime 327162 itsplit 1 - acceleration/energy drift too large 5.23068412448105 - 21.0344405516192 split increased to 2 itime 335082 + acceleration/energy drift too large 4.93335429189260 + 28.8587935558088 split increased to 2 itime 327292 itsplit 1 - acceleration/energy drift too large 7.75048509436381 - 27.2706652588561 split increased to 2 itime 338775 + acceleration/energy drift too large 2.61057471904166 + 12.6833086117503 split increased to 2 itime 327539 itsplit 1 -Velocities reset to random values, time 67999.80 - acceleration/energy drift too large 4.19274336283247 - 11.2992188723966 split increased to 2 itime 342384 + acceleration/energy drift too large 5.47936496964578 + 13.8272217570640 split increased to 2 itime 328487 itsplit 1 -Velocities reset to random values, time 69999.80 - acceleration/energy drift too large 2.62179598425635 - 16.2468969877411 split increased to 2 itime 351204 + acceleration/energy drift too large 5.88643914782038 + 16.0333947116943 split increased to 2 itime 328830 itsplit 1 - acceleration/energy drift too large 4.40465975334449 - 13.1137697025318 split increased to 2 itime 351240 + acceleration/energy drift too large 10.2075117133927 + 51.4760148862040 split increased to 2 itime 329328 itsplit 1 - acceleration/energy drift too large 5.03507271155133 - 10.4560271961448 split increased to 2 itime 351249 +Velocities reset to random values, time 65999.80 + acceleration/energy drift too large 4.43428343074383 + 12.9512056957455 split increased to 2 itime 331742 itsplit 1 - acceleration/energy drift too large 4.86608746470851 - 25.0922468819268 split increased to 2 itime 353281 + acceleration/energy drift too large 3.19664744121289 + 11.7239798004026 split increased to 2 itime 334953 itsplit 1 - acceleration/energy drift too large 8.74985933109997 - 34.9316148544256 split increased to 2 itime 356677 + acceleration/energy drift too large 5.20284873405150 + 11.9361018491522 split increased to 2 itime 336287 itsplit 1 - acceleration/energy drift too large 3.56406207258775 - 10.4752887031890 split increased to 2 itime 356989 + acceleration/energy drift too large 2.66363685028578 + 14.6017396565994 split increased to 2 itime 337083 itsplit 1 - acceleration/energy drift too large 5.61153750176249 - 18.0620612870272 split increased to 2 itime 358116 + acceleration/energy drift too large 4.95109641698009 + 11.2154636116168 split increased to 2 itime 338537 itsplit 1 - acceleration/energy drift too large 4.43861446085209 - 22.0272133050345 split increased to 2 itime 358147 +Velocities reset to random values, time 67999.80 + acceleration/energy drift too large 5.44026267651332 + 14.3496217561171 split increased to 2 itime 340047 itsplit 1 - acceleration/energy drift too large 5.91201889244300 - 15.3791076086729 split increased to 2 itime 358737 + acceleration/energy drift too large 2.01263067386562 + 10.8671532628262 split increased to 2 itime 342581 itsplit 1 - acceleration/energy drift too large 3.97160701871715 - 10.8784136909497 split increased to 2 itime 358848 + acceleration/energy drift too large 8.61317898527398 + 30.6235392704475 split increased to 2 itime 349269 itsplit 1 -Velocities reset to random values, time 71999.80 - acceleration/energy drift too large 4.76083594317882 - 12.0414034238304 split increased to 2 itime 361313 + acceleration/energy drift too large 9.89420317315765 + 51.0051269275753 split increased to 2 itime 349526 itsplit 1 - acceleration/energy drift too large 5.37586761620795 - 17.5370386894735 split increased to 2 itime 364179 + acceleration/energy drift too large 5.03302738459632 + 18.8368804523889 split increased to 2 itime 349815 itsplit 1 - acceleration/energy drift too large 6.22744230012241 - 23.9264878326282 split increased to 2 itime 364666 +Velocities reset to random values, time 69999.80 + acceleration/energy drift too large 6.59606917482428 + 17.2536517404267 split increased to 2 itime 350100 itsplit 1 - acceleration/energy drift too large 5.37849423933318 - 28.7599246015068 split increased to 2 itime 365051 + acceleration/energy drift too large 4.78053039774665 + 10.4274173864602 split increased to 2 itime 351970 itsplit 1 - acceleration/energy drift too large 5.15684759541444 - 16.8220738832904 split increased to 2 itime 365749 + acceleration/energy drift too large 6.95067850904211 + 24.7393044179405 split increased to 2 itime 353518 itsplit 1 - acceleration/energy drift too large 6.58153491584516 - 23.5751270385877 split increased to 2 itime 366549 + acceleration/energy drift too large 4.03958386714046 + 11.4286935292646 split increased to 2 itime 356217 itsplit 1 - acceleration/energy drift too large 1.88564641261838 - 16.5285514906273 split increased to 2 itime 366550 + acceleration/energy drift too large 4.61912784738001 + 23.3572369875912 split increased to 2 itime 356886 itsplit 1 -Velocities reset to random values, time 73999.80 - acceleration/energy drift too large 6.42819413746919 - 19.2022623719648 split increased to 2 itime 370308 + acceleration/energy drift too large 3.61505872305969 + 19.4455036672013 split increased to 2 itime 356944 itsplit 1 - acceleration/energy drift too large 7.68849979005426 - 26.3712365349223 split increased to 2 itime 370741 + acceleration/energy drift too large 2.83276363057936 + 15.6321662877459 split increased to 2 itime 357001 itsplit 1 - acceleration/energy drift too large 6.64359258953225 - 17.6780292942082 split increased to 2 itime 373653 + acceleration/energy drift too large 8.37568266882538 + 32.2777779822318 split increased to 2 itime 358558 itsplit 1 - acceleration/energy drift too large 5.36387204093286 - 24.1448352998582 split increased to 2 itime 374632 + acceleration/energy drift too large 7.18185132323563 + 20.6675131489680 split increased to 2 itime 359143 itsplit 1 - acceleration/energy drift too large 3.67087598742650 - 10.5305977688170 split increased to 2 itime 375474 + acceleration/energy drift too large 6.20671776204437 + 19.0013985308463 split increased to 2 itime 359787 itsplit 1 - acceleration/energy drift too large 11.1226298201210 - 56.5640202913500 split increased to 2 itime 377670 +Velocities reset to random values, time 71999.80 + acceleration/energy drift too large 9.45728833755205 + 37.1229530509369 split increased to 2 itime 360555 itsplit 1 - acceleration/energy drift too large 1.89087148150809 - 11.4267198153424 split increased to 2 itime 378000 + acceleration/energy drift too large 8.52665102263523 + 35.2060697481260 split increased to 2 itime 361206 itsplit 1 -Velocities reset to random values, time 75999.80 - acceleration/energy drift too large 8.98850266681585 - 43.2493594683055 split increased to 2 itime 380523 + acceleration/energy drift too large 4.12644521151061 + 10.2869258408174 split increased to 2 itime 364669 itsplit 1 - acceleration/energy drift too large 2.06816876996664 - 12.9220015497403 split increased to 2 itime 380524 +Velocities reset to random values, time 73999.80 + acceleration/energy drift too large 8.11105027161355 + 32.5438994345134 split increased to 2 itime 371011 itsplit 1 - acceleration/energy drift too large 9.60567614855503 - 58.3210666213169 split increased to 2 itime 380836 + acceleration/energy drift too large 5.00890145259808 + 16.5721000703201 split increased to 2 itime 371176 itsplit 1 - acceleration/energy drift too large 2.39090374777370 - 17.0632962590724 split increased to 2 itime 380837 + acceleration/energy drift too large 6.99009012371602 + 31.7627073991357 split increased to 2 itime 373248 itsplit 1 - acceleration/energy drift too large 3.29853904398010 - 20.5214337491257 split increased to 2 itime 383563 + acceleration/energy drift too large 4.56844413801394 + 14.3264534407604 split increased to 2 itime 373927 itsplit 1 - acceleration/energy drift too large 4.73880464773287 - 13.5663174112965 split increased to 2 itime 383652 + acceleration/energy drift too large 6.44664479643949 + 24.4205951656303 split increased to 2 itime 375613 itsplit 1 - acceleration/energy drift too large 7.29111174454555 - 24.4818690256853 split increased to 2 itime 384278 + acceleration/energy drift too large 7.40484306493608 + 22.5021513642006 split increased to 2 itime 378056 itsplit 1 - acceleration/energy drift too large 6.56997907179818 - 22.8522790571525 split increased to 2 itime 384279 + acceleration/energy drift too large 1.56122811670391 + 10.5209018794363 split increased to 2 itime 378689 itsplit 1 - acceleration/energy drift too large 2.70981536196542 - 12.3358659913794 split increased to 2 itime 386253 + acceleration/energy drift too large 2.35861964979222 + 15.0654990189912 split increased to 2 itime 379566 itsplit 1 - acceleration/energy drift too large 2.32102484710323 - 17.0682482993278 split increased to 2 itime 387254 +Velocities reset to random values, time 75999.80 + acceleration/energy drift too large 4.50462543022606 + 17.5960110834887 split increased to 2 itime 383751 itsplit 1 - acceleration/energy drift too large 2.66021524061225 - 14.4614031356135 split increased to 2 itime 387298 + acceleration/energy drift too large 4.05389495213893 + 13.0961707200764 split increased to 2 itime 384500 itsplit 1 - acceleration/energy drift too large 4.15397784121815 - 12.3232270734992 split increased to 2 itime 388801 + acceleration/energy drift too large 7.19255522414618 + 22.4386816310292 split increased to 2 itime 385696 itsplit 1 - acceleration/energy drift too large 4.75798586317919 - 17.2318019328056 split increased to 2 itime 389015 + acceleration/energy drift too large 3.24954463103647 + 13.1039123071908 split increased to 2 itime 385824 itsplit 1 - acceleration/energy drift too large 3.48376008575851 - 27.0920657733166 split increased to 2 itime 389071 + acceleration/energy drift too large 12.6920705333984 + 73.5606911144577 split increased to 2 itime 387745 itsplit 1 Velocities reset to random values, time 77999.80 - acceleration/energy drift too large 9.34132822233123 - 14.1299459352593 split increased to 2 itime 393325 + acceleration/energy drift too large 2.81572366950123 + 19.1846829792189 split increased to 2 itime 394020 itsplit 1 - acceleration/energy drift too large 3.53975057094461 - 29.3105358293453 split increased to 2 itime 397100 + acceleration/energy drift too large 2.44020589120495 + 12.4770843894376 split increased to 2 itime 394578 itsplit 1 - acceleration/energy drift too large 10.0049920273749 - 50.2397248626102 split increased to 2 itime 399388 + acceleration/energy drift too large 2.38480239342895 + 13.1199752968779 split increased to 2 itime 395603 itsplit 1 - acceleration/energy drift too large 2.54711262704641 - 12.6910927337916 split increased to 4 itime 399388 - itsplit 2 - acceleration/energy drift too large 5.46262086552822 - 17.9983230473407 split increased to 2 itime 399797 + acceleration/energy drift too large 2.14106471026809 + 11.1634238685845 split increased to 2 itime 399654 + itsplit 1 + acceleration/energy drift too large 3.87420983662142 + 11.2328469509242 split increased to 2 itime 399688 itsplit 1 Velocities reset to random values, time 79999.80 REMD synchro at 400000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 164.062500000000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 142.460937500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.75000 4 -ACC 2 260.00000 0.00000 4 +ACC 1 250.00000 0.50000 4 +ACC 2 260.00000 0.25000 4 ACC 3 270.00000 0.75000 4 -ACC 4 280.00000 0.25000 4 -ACC 5 290.00000 1.00000 4 +ACC 4 280.00000 0.50000 4 +ACC 5 290.00000 0.50000 4 ACC 6 300.00000 0.75000 4 -ACC 7 310.00000 0.50000 4 -ACC 8 320.00000 0.50000 4 -ACC 9 330.00000 0.75000 4 -ACC 10 340.00000 0.75000 4 -ACC 11 350.00000 0.50000 4 -ACC 12 360.00000 1.00000 4 -ACC 13 370.00000 0.75000 4 -ACC 14 380.00000 1.00000 4 -ACC 15 390.00000 1.00000 4 +ACC 7 310.00000 0.25000 4 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 5.71207132172949 - 12.9463594619800 split increased to 2 itime 400099 + acceleration/energy drift too large 3.62879063489745 + 11.3726879107341 split increased to 2 itime 401911 itsplit 1 - acceleration/energy drift too large 8.34850791190807 - 29.9277564895180 split increased to 2 itime 403073 + acceleration/energy drift too large 3.83128005380851 + 18.8527185980173 split increased to 2 itime 404738 itsplit 1 - acceleration/energy drift too large 5.19373752054904 - 15.6040608505331 split increased to 2 itime 403881 + acceleration/energy drift too large 6.84876763576455 + 18.3076197665273 split increased to 2 itime 406320 itsplit 1 - acceleration/energy drift too large 7.46832581423188 - 18.2111880301842 split increased to 2 itime 405282 + acceleration/energy drift too large 6.23893737344456 + 29.7665884764159 split increased to 2 itime 409693 itsplit 1 - acceleration/energy drift too large 5.46596215770641 - 10.3789247750593 split increased to 2 itime 405288 +Velocities reset to random values, time 81999.80 + acceleration/energy drift too large 6.94317789931435 + 24.1562724402242 split increased to 2 itime 410157 itsplit 1 - acceleration/energy drift too large 2.38438004043562 - 10.2868368387867 split increased to 2 itime 405927 + acceleration/energy drift too large 4.75038198608123 + 12.6878147054932 split increased to 2 itime 413441 itsplit 1 - acceleration/energy drift too large 7.03732193903913 - 18.2129980711924 split increased to 2 itime 407200 + acceleration/energy drift too large 5.00532861237243 + 18.9801598917239 split increased to 2 itime 414423 itsplit 1 -Velocities reset to random values, time 81999.80 - acceleration/energy drift too large 5.03153305452181 - 21.4339115048159 split increased to 2 itime 410151 + acceleration/energy drift too large 5.18387383172627 + 21.5088212365371 split increased to 2 itime 416564 itsplit 1 - acceleration/energy drift too large 3.75853376985387 - 14.5703104070751 split increased to 2 itime 411244 + acceleration/energy drift too large 2.09427561159459 + 14.1458062716582 split increased to 2 itime 416565 itsplit 1 - acceleration/energy drift too large 6.02099667872600 - 19.0143764076154 split increased to 2 itime 413063 + acceleration/energy drift too large 5.30026512972403 + 20.3879466711402 split increased to 2 itime 416953 itsplit 1 - acceleration/energy drift too large 5.86298045495196 - 34.6096099685146 split increased to 2 itime 416955 + acceleration/energy drift too large 4.94713599932680 + 15.0961607089128 split increased to 2 itime 419770 itsplit 1 - acceleration/energy drift too large 5.14258718020759 - 21.8064241015623 split increased to 2 itime 417013 +Velocities reset to random values, time 83999.80 + acceleration/energy drift too large 6.06698386898860 + 41.4235383078940 split increased to 2 itime 422395 itsplit 1 - acceleration/energy drift too large 6.22110687087945 - 10.2035958611021 split increased to 2 itime 417248 + acceleration/energy drift too large 4.83478667771307 + 10.3982241143725 split increased to 2 itime 428203 itsplit 1 - acceleration/energy drift too large 3.09918909289270 - 11.7704523921461 split increased to 2 itime 417583 +Velocities reset to random values, time 85999.80 + acceleration/energy drift too large 3.33031499015028 + 12.3712866868007 split increased to 2 itime 431263 itsplit 1 - acceleration/energy drift too large 1.50679512475557 - 13.3303051257955 split increased to 4 itime 417583 + acceleration/energy drift too large 3.63731165868643 + 10.5860117716555 split increased to 2 itime 431264 itsplit 1 - acceleration/energy drift too large 6.70250994097654 - 24.1937697163829 split increased to 2 itime 419896 + acceleration/energy drift too large 3.43252418253940 + 19.3120911306159 split increased to 2 itime 431520 itsplit 1 -Velocities reset to random values, time 83999.80 - acceleration/energy drift too large 4.22194690913700 - 13.8332714924942 split increased to 2 itime 423520 + acceleration/energy drift too large 6.19089250439513 + 24.6808493067568 split increased to 2 itime 431888 itsplit 1 - acceleration/energy drift too large 5.82232540138945 - 16.3663344713537 split increased to 2 itime 424037 + acceleration/energy drift too large 5.94335260798323 + 24.5640816556562 split increased to 2 itime 434899 itsplit 1 - acceleration/energy drift too large 3.99607050498344 - 14.9605798269824 split increased to 2 itime 424718 + acceleration/energy drift too large 5.06849058361980 + 10.4508618168476 split increased to 2 itime 435111 itsplit 1 - acceleration/energy drift too large 4.91701955234869 - 28.6639978719811 split increased to 2 itime 424908 + acceleration/energy drift too large 5.19278424714480 + 10.0713148849589 split increased to 2 itime 436049 itsplit 1 - acceleration/energy drift too large 4.25128758035625 - 21.6899946168418 split increased to 2 itime 427208 + acceleration/energy drift too large 2.53687049910824 + 11.1471566685503 split increased to 2 itime 437055 itsplit 1 - acceleration/energy drift too large 3.71294185839611 - 16.5713878139662 split increased to 2 itime 427255 +Velocities reset to random values, time 87999.80 + acceleration/energy drift too large 9.00832456281566 + 39.0244773752017 split increased to 2 itime 444806 itsplit 1 -Velocities reset to random values, time 85999.80 - acceleration/energy drift too large 2.96462232888096 - 10.0834846412296 split increased to 2 itime 430253 + acceleration/energy drift too large 5.27497464376322 + 11.8638833534489 split increased to 2 itime 447593 itsplit 1 - acceleration/energy drift too large 5.59487437996206 - 27.9843237756155 split increased to 2 itime 430869 + acceleration/energy drift too large 3.47720917348186 + 25.8790276910957 split increased to 2 itime 447691 itsplit 1 - acceleration/energy drift too large 5.13294587815154 - 24.4546885548349 split increased to 2 itime 432617 + acceleration/energy drift too large 2.60017122428666 + 20.5146486423323 split increased to 2 itime 448342 itsplit 1 - acceleration/energy drift too large 5.29659024530973 - 26.5201387412203 split increased to 2 itime 433343 + acceleration/energy drift too large 9.48862639957749 + 40.4154214791140 split increased to 2 itime 448442 itsplit 1 - acceleration/energy drift too large 3.00501816602540 - 12.9375428237120 split increased to 2 itime 433344 + acceleration/energy drift too large 4.48830883065839 + 11.6300831685520 split increased to 2 itime 448501 itsplit 1 - acceleration/energy drift too large 3.73365910015374 - 14.5351590386227 split increased to 2 itime 433390 + acceleration/energy drift too large 5.13540906115893 + 11.5240066649228 split increased to 2 itime 449227 itsplit 1 - acceleration/energy drift too large 4.32293666268891 - 19.6627409949905 split increased to 2 itime 433709 + acceleration/energy drift too large 2.22565326747554 + 11.1672103491839 split increased to 2 itime 449455 itsplit 1 - acceleration/energy drift too large 6.52465870186193 - 29.9768949391426 split increased to 2 itime 434694 + acceleration/energy drift too large 4.39111613417782 + 12.0713376880061 split increased to 2 itime 449690 itsplit 1 - acceleration/energy drift too large 5.37484028193743 - 14.7511999134078 split increased to 2 itime 435178 +Velocities reset to random values, time 89999.80 + acceleration/energy drift too large 5.36445562509416 + 19.4441121126973 split increased to 2 itime 451379 itsplit 1 - acceleration/energy drift too large 4.07129818583356 - 13.8266906513137 split increased to 2 itime 436408 + acceleration/energy drift too large 6.95633249178906 + 29.7182246326064 split increased to 2 itime 452476 itsplit 1 - acceleration/energy drift too large 5.30288671343334 - 16.5228103301032 split increased to 2 itime 437200 + acceleration/energy drift too large 3.67108792857462 + 12.7522429307410 split increased to 2 itime 452653 itsplit 1 - acceleration/energy drift too large 3.61185926503092 - 11.4760999284788 split increased to 2 itime 437348 + acceleration/energy drift too large 8.22307936059203 + 31.4645878160414 split increased to 2 itime 452706 itsplit 1 - acceleration/energy drift too large 7.09496473299269 - 22.1762007359791 split increased to 2 itime 437960 + acceleration/energy drift too large 6.51825635532967 + 19.5578562273435 split increased to 2 itime 456623 itsplit 1 - acceleration/energy drift too large 3.36766165064590 - 13.1774297629055 split increased to 2 itime 439688 + acceleration/energy drift too large 6.78884708645836 + 19.4472101617543 split increased to 2 itime 459684 itsplit 1 -Velocities reset to random values, time 87999.80 - acceleration/energy drift too large 6.00287588822552 - 25.4985104983943 split increased to 2 itime 440793 +Velocities reset to random values, time 91999.80 + acceleration/energy drift too large 4.19885871418896 + 10.5858589940348 split increased to 2 itime 462258 itsplit 1 - acceleration/energy drift too large 6.89476470137271 - 19.3185433577334 split increased to 2 itime 440802 + acceleration/energy drift too large 2.92341896885146 + 10.7983323065448 split increased to 2 itime 462937 itsplit 1 - acceleration/energy drift too large 4.84382504494316 - 25.1129951350233 split increased to 2 itime 440829 + acceleration/energy drift too large 5.15589362211029 + 18.3776262233828 split increased to 2 itime 464260 itsplit 1 - acceleration/energy drift too large 3.98818766405409 - 19.1643710214830 split increased to 2 itime 441861 + acceleration/energy drift too large 2.62737385810479 + 10.1077466483483 split increased to 2 itime 467577 itsplit 1 - acceleration/energy drift too large 4.31561243948357 - 11.6071671658382 split increased to 2 itime 442409 +Velocities reset to random values, time 93999.80 + acceleration/energy drift too large 9.10591682178211 + 38.8790210821244 split increased to 2 itime 470167 itsplit 1 - acceleration/energy drift too large 7.75629182316262 - 30.6715202558308 split increased to 2 itime 443145 + acceleration/energy drift too large 5.54950864457635 + 12.0935023038862 split increased to 2 itime 471426 itsplit 1 - acceleration/energy drift too large 8.10905156776023 - 31.7586078839683 split increased to 2 itime 443526 + acceleration/energy drift too large 9.61052374144209 + 46.9876451162806 split increased to 2 itime 471744 itsplit 1 - acceleration/energy drift too large 5.61722516667647 - 18.4211097751804 split increased to 2 itime 443804 + acceleration/energy drift too large 4.51650063737859 + 12.7384117412545 split increased to 2 itime 473056 itsplit 1 - acceleration/energy drift too large 2.98849428189056 - 11.7024416616717 split increased to 2 itime 445676 + acceleration/energy drift too large 4.70799033408715 + 15.5766361938741 split increased to 2 itime 474164 itsplit 1 - acceleration/energy drift too large 4.60323295168567 - 28.0008959564913 split increased to 2 itime 445720 + acceleration/energy drift too large 3.09210997329972 + 10.4977372579611 split increased to 2 itime 475852 itsplit 1 - acceleration/energy drift too large 2.00135401562538 - 10.1340731634422 split increased to 2 itime 445967 + acceleration/energy drift too large 4.50570283602948 + 18.1087511162190 split increased to 2 itime 476809 itsplit 1 - acceleration/energy drift too large 6.79474589439384 - 22.2844299570468 split increased to 2 itime 446222 + acceleration/energy drift too large 5.52211524590005 + 14.0838327876463 split increased to 2 itime 476988 itsplit 1 - acceleration/energy drift too large 6.05841335495080 - 22.7832718425835 split increased to 2 itime 447086 + acceleration/energy drift too large 5.95622977674675 + 15.0147314011965 split increased to 2 itime 477585 itsplit 1 - acceleration/energy drift too large 5.47025757241198 - 21.1806063967866 split increased to 2 itime 447413 +Velocities reset to random values, time 95999.80 + acceleration/energy drift too large 9.38485624893340 + 41.8068523479410 split increased to 2 itime 480663 itsplit 1 - acceleration/energy drift too large 6.28227899298396 - 17.4067619201100 split increased to 2 itime 447775 + acceleration/energy drift too large 7.36508291333001 + 22.3162344905527 split increased to 2 itime 483142 itsplit 1 - acceleration/energy drift too large 2.58664406879878 - 19.3284809823980 split increased to 2 itime 449608 + acceleration/energy drift too large 8.34760290628875 + 23.7910379685211 split increased to 2 itime 483145 itsplit 1 -Velocities reset to random values, time 89999.80 - acceleration/energy drift too large 5.20953815531127 - 18.6396952186743 split increased to 2 itime 450890 + acceleration/energy drift too large 8.86066980158030 + 14.1228364413708 split increased to 2 itime 483146 itsplit 1 - acceleration/energy drift too large 3.32712756977863 - 12.1814485829973 split increased to 2 itime 452449 + acceleration/energy drift too large 6.11327549291102 + 21.7358547121937 split increased to 2 itime 485855 itsplit 1 - acceleration/energy drift too large 4.69457675801215 - 11.0673247789955 split increased to 2 itime 452609 + acceleration/energy drift too large 4.09466359201451 + 12.6956503200943 split increased to 2 itime 487185 itsplit 1 - acceleration/energy drift too large 4.20155102300153 - 25.4388516898503 split increased to 2 itime 453514 +Velocities reset to random values, time 97999.80 + acceleration/energy drift too large 3.26034275292186 + 21.3641759015587 split increased to 2 itime 490702 itsplit 1 - acceleration/energy drift too large 7.58441117674498 - 26.9112795896092 split increased to 2 itime 455123 + acceleration/energy drift too large 4.43367129244187 + 26.4213769321996 split increased to 2 itime 490784 itsplit 1 - acceleration/energy drift too large 6.67456474609787 - 14.6651365023740 split increased to 2 itime 456098 + acceleration/energy drift too large 7.79181572774895 + 32.2772462047394 split increased to 2 itime 491603 itsplit 1 - acceleration/energy drift too large 6.68289405989964 - 11.6684158997720 split increased to 2 itime 456842 + acceleration/energy drift too large 1.92582148610853 + 11.7245513224044 split increased to 2 itime 491604 itsplit 1 - acceleration/energy drift too large 4.33883048944411 - 12.6286251816921 split increased to 2 itime 457257 + acceleration/energy drift too large 2.30333369906865 + 11.0329965349217 split increased to 2 itime 492409 itsplit 1 - acceleration/energy drift too large 4.13463669355379 - 10.9748535478564 split increased to 2 itime 457280 + acceleration/energy drift too large 4.24220102180116 + 14.7825495861750 split increased to 2 itime 494352 itsplit 1 - acceleration/energy drift too large 3.43849825159746 - 12.8110401398300 split increased to 2 itime 457621 + acceleration/energy drift too large 5.97163138457609 + 19.7249168034969 split increased to 2 itime 499315 itsplit 1 - acceleration/energy drift too large 3.62053743236681 - 15.6078027805415 split increased to 2 itime 459207 +Velocities reset to random values, time 99999.80 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 177.890625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.60000 5 +ACC 2 260.00000 0.20000 5 +ACC 3 270.00000 0.80000 5 +ACC 4 280.00000 0.60000 5 +ACC 5 290.00000 0.40000 5 +ACC 6 300.00000 0.80000 5 +ACC 7 310.00000 0.40000 5 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 3.54654993979794 + 10.1294432920121 split increased to 2 itime 501814 itsplit 1 - acceleration/energy drift too large 5.25937279029496 - 34.4016809009295 split increased to 2 itime 459934 + acceleration/energy drift too large 2.88368437521047 + 17.9740207617585 split increased to 2 itime 502248 itsplit 1 -Velocities reset to random values, time 91999.80 - acceleration/energy drift too large 5.12353780297772 - 36.8983886338051 split increased to 2 itime 460113 + acceleration/energy drift too large 7.26855159994730 + 21.5375041319412 split increased to 2 itime 503023 itsplit 1 - acceleration/energy drift too large 6.80772422237991 - 26.2283834026153 split increased to 2 itime 462999 + acceleration/energy drift too large 6.07904638165784 + 16.0765386608201 split increased to 2 itime 503731 itsplit 1 - acceleration/energy drift too large 2.77741493051902 - 10.1092428033650 split increased to 2 itime 463566 + acceleration/energy drift too large 5.69478758956183 + 15.8636472274129 split increased to 2 itime 503924 itsplit 1 - acceleration/energy drift too large 5.24187751196089 - 11.8194547437371 split increased to 2 itime 463576 + acceleration/energy drift too large 10.1517184206382 + 43.0925825052526 split increased to 2 itime 503966 itsplit 1 - acceleration/energy drift too large 4.01428360568487 - 13.8739675118642 split increased to 2 itime 464141 + acceleration/energy drift too large 2.47781717835146 + 12.6369948743116 split increased to 2 itime 508606 itsplit 1 - acceleration/energy drift too large 5.69419784607206 - 38.3764478752122 split increased to 2 itime 465976 + acceleration/energy drift too large 2.67012964683161 + 19.6419431994866 split increased to 2 itime 508664 itsplit 1 - acceleration/energy drift too large 13.2042929316216 - 58.6271951177432 split increased to 2 itime 466636 + acceleration/energy drift too large 8.50516245159043 + 34.1747543965554 split increased to 2 itime 508884 itsplit 1 - acceleration/energy drift too large 2.63567633549479 - 11.6403508601015 split increased to 2 itime 467472 + acceleration/energy drift too large 4.13620135294329 + 13.4805834430507 split increased to 2 itime 508886 itsplit 1 -Velocities reset to random values, time 93999.80 - acceleration/energy drift too large 5.10546285865149 - 16.4005552628492 split increased to 2 itime 472599 +Velocities reset to random values, time 101999.80 + acceleration/energy drift too large 4.23150575951494 + 12.5536747021630 split increased to 2 itime 512900 itsplit 1 - acceleration/energy drift too large 5.75447062513305 - 20.8641855559396 split increased to 2 itime 475800 + acceleration/energy drift too large 8.18391125568681 + 29.6931699220623 split increased to 2 itime 513094 itsplit 1 - acceleration/energy drift too large 3.74766873335163 - 11.7735913214451 split increased to 2 itime 478245 + acceleration/energy drift too large 2.41319507479394 + 13.5625796681227 split increased to 2 itime 513485 itsplit 1 - acceleration/energy drift too large 8.06562039215200 - 23.3925671940576 split increased to 2 itime 478525 + acceleration/energy drift too large 1.96611909692508 + 13.4623239783597 split increased to 2 itime 513486 itsplit 1 -Velocities reset to random values, time 95999.80 - acceleration/energy drift too large 6.84343729725816 - 32.9079266535098 split increased to 2 itime 481310 + acceleration/energy drift too large 4.01402222912094 + 10.0045183126524 split increased to 2 itime 516948 itsplit 1 - acceleration/energy drift too large 9.17581477500274 - 41.0853030940486 split increased to 2 itime 482963 + acceleration/energy drift too large 4.78774367378956 + 12.0221480935469 split increased to 2 itime 517105 itsplit 1 - acceleration/energy drift too large 6.28070625966611 - 17.7302519675813 split increased to 2 itime 483046 +Velocities reset to random values, time 103999.80 + acceleration/energy drift too large 6.43392778749176 + 30.6535820665798 split increased to 2 itime 520536 itsplit 1 - acceleration/energy drift too large 4.21710733803607 - 18.4115697520822 split increased to 2 itime 485275 + acceleration/energy drift too large 2.37030054151480 + 14.9183851901714 split increased to 2 itime 522416 itsplit 1 - acceleration/energy drift too large 4.80342092214674 - 16.0980679382606 split increased to 2 itime 487662 + acceleration/energy drift too large 5.45933894403845 + 14.0328995490404 split increased to 2 itime 522972 itsplit 1 - acceleration/energy drift too large 4.32570920881215 - 10.4742493037187 split increased to 2 itime 488983 + acceleration/energy drift too large 8.13904495291572 + 31.1855034483679 split increased to 2 itime 523169 itsplit 1 - acceleration/energy drift too large 6.12506048028423 - 20.7106424959836 split increased to 2 itime 489936 + acceleration/energy drift too large 5.51917086691740 + 13.0274334973776 split increased to 2 itime 523170 itsplit 1 -Velocities reset to random values, time 97999.80 - acceleration/energy drift too large 8.44801155346415 - 34.2112031501455 split increased to 2 itime 490094 + acceleration/energy drift too large 5.30830497228993 + 12.4517872663502 split increased to 2 itime 523732 itsplit 1 - acceleration/energy drift too large 5.29713693828657 - 12.9308979369603 split increased to 2 itime 494036 + acceleration/energy drift too large 8.86575855584762 + 32.8820262851625 split increased to 2 itime 524144 itsplit 1 - acceleration/energy drift too large 3.40748426011928 - 13.6193321782272 split increased to 2 itime 494332 + acceleration/energy drift too large 5.95112699870173 + 22.9514294170722 split increased to 2 itime 524300 itsplit 1 - acceleration/energy drift too large 5.10659605191796 - 12.7078219685672 split increased to 2 itime 496332 + acceleration/energy drift too large 2.45427060917275 + 10.5823226666443 split increased to 2 itime 524966 itsplit 1 - acceleration/energy drift too large 5.15881023967515 - 10.2174486428275 split increased to 2 itime 497933 + acceleration/energy drift too large 7.36867132337760 + 17.6015884792587 split increased to 2 itime 525376 itsplit 1 - acceleration/energy drift too large 3.30927059995153 - 11.2460850499674 split increased to 2 itime 498076 + acceleration/energy drift too large 4.10055252504299 + 16.7212432431455 split increased to 2 itime 526936 itsplit 1 - acceleration/energy drift too large 2.55086427188497 - 14.8923659481319 split increased to 2 itime 498133 + acceleration/energy drift too large 6.25697723237914 + 46.1790723352563 split increased to 2 itime 528267 itsplit 1 - acceleration/energy drift too large 3.51134911349549 - 10.9459869404619 split increased to 2 itime 498326 +Velocities reset to random values, time 105999.80 + acceleration/energy drift too large 7.00217970555907 + 24.9364648849732 split increased to 2 itime 530241 itsplit 1 - acceleration/energy drift too large 8.79102005154873 - 20.9653351508991 split increased to 2 itime 498933 + acceleration/energy drift too large 4.88746332619350 + 14.1904404801229 split increased to 2 itime 531808 itsplit 1 -Velocities reset to random values, time 99999.80 - REMD synchro at 500000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 205.101562500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.80000 5 -ACC 2 260.00000 0.00000 5 -ACC 3 270.00000 0.80000 5 -ACC 4 280.00000 0.40000 5 -ACC 5 290.00000 0.80000 5 -ACC 6 300.00000 0.60000 5 -ACC 7 310.00000 0.60000 5 -ACC 8 320.00000 0.60000 5 -ACC 9 330.00000 0.60000 5 -ACC 10 340.00000 0.80000 5 -ACC 11 350.00000 0.60000 5 -ACC 12 360.00000 1.00000 5 -ACC 13 370.00000 0.80000 5 -ACC 14 380.00000 1.00000 5 -ACC 15 390.00000 1.00000 5 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 8.32256653578622 - 34.6181709004767 split increased to 2 itime 500413 + acceleration/energy drift too large 6.32739540759335 + 10.2185677610189 split increased to 2 itime 535391 itsplit 1 - acceleration/energy drift too large 2.82305846646002 - 21.4499384719614 split increased to 2 itime 502501 + acceleration/energy drift too large 5.54834625182724 + 21.5047293749282 split increased to 2 itime 535612 itsplit 1 - acceleration/energy drift too large 4.30266502961531 - 30.1477348065987 split increased to 2 itime 504960 + acceleration/energy drift too large 2.51451342054439 + 13.8155316839765 split increased to 2 itime 536631 itsplit 1 -Velocities reset to random values, time 101999.80 - acceleration/energy drift too large 3.64222416352689 - 11.4110799135266 split increased to 2 itime 510653 + acceleration/energy drift too large 1.92687141889596 + 10.7287727804255 split increased to 2 itime 537826 itsplit 1 - acceleration/energy drift too large 4.61414259403940 - 10.9733112610136 split increased to 2 itime 514159 + acceleration/energy drift too large 4.73306036237058 + 11.2973421313719 split increased to 2 itime 539414 itsplit 1 - acceleration/energy drift too large 5.97565686882792 - 25.9069867717770 split increased to 2 itime 516855 + acceleration/energy drift too large 3.13086907713985 + 13.0322806533096 split increased to 2 itime 539833 itsplit 1 -Velocities reset to random values, time 103999.80 - acceleration/energy drift too large 4.01640846294708 - 11.7117082466496 split increased to 2 itime 521660 +Velocities reset to random values, time 107999.80 + acceleration/energy drift too large 6.13901090925326 + 16.6214672472706 split increased to 2 itime 540688 itsplit 1 -Velocities reset to random values, time 105999.80 - acceleration/energy drift too large 2.91066343325500 - 18.5242751047258 split increased to 2 itime 532895 + acceleration/energy drift too large 4.89057930391504 + 10.6467485205639 split increased to 2 itime 541382 itsplit 1 - acceleration/energy drift too large 4.73136076427247 - 11.4004636651319 split increased to 2 itime 534289 + acceleration/energy drift too large 2.67983949492230 + 10.2739115654202 split increased to 2 itime 542068 itsplit 1 - acceleration/energy drift too large 4.02742079827788 - 12.3340182529647 split increased to 2 itime 535238 + acceleration/energy drift too large 3.95429020620563 + 11.3589796386975 split increased to 2 itime 543809 itsplit 1 - acceleration/energy drift too large 4.18548686661115 - 11.0246835252392 split increased to 2 itime 535281 + acceleration/energy drift too large 5.14807463247646 + 12.8381638082321 split increased to 2 itime 544207 itsplit 1 - acceleration/energy drift too large 7.26372518172864 - 36.2219230160685 split increased to 2 itime 537079 + acceleration/energy drift too large 5.00192717208461 + 24.0124266753582 split increased to 2 itime 545448 itsplit 1 - acceleration/energy drift too large 5.14035389938236 - 11.7327691344663 split increased to 2 itime 538689 + acceleration/energy drift too large 3.79751637323649 + 11.0080432174300 split increased to 2 itime 546472 itsplit 1 -Velocities reset to random values, time 107999.80 - acceleration/energy drift too large 4.51563341206380 - 18.2265785388783 split increased to 2 itime 543148 + acceleration/energy drift too large 5.83773224203629 + 12.9933661936715 split increased to 2 itime 546603 itsplit 1 - acceleration/energy drift too large 6.98600930187806 - 22.0281616780724 split increased to 2 itime 546150 + acceleration/energy drift too large 4.64078225548791 + 16.3552003222609 split increased to 2 itime 549011 itsplit 1 - acceleration/energy drift too large 9.44138902436643 - 42.8546790236988 split increased to 2 itime 547997 + acceleration/energy drift too large 4.89754292898799 + 18.8058533552943 split increased to 2 itime 549072 itsplit 1 Velocities reset to random values, time 109999.80 - acceleration/energy drift too large 7.33555091066331 - 21.2409581249673 split increased to 2 itime 553375 + acceleration/energy drift too large 2.72842946824660 + 10.1066686786438 split increased to 2 itime 552166 itsplit 1 - acceleration/energy drift too large 8.40346215240483 - 34.6060139412084 split increased to 2 itime 555425 + acceleration/energy drift too large 2.45995995288942 + 15.7745790477996 split increased to 2 itime 552578 itsplit 1 - acceleration/energy drift too large 5.08160965493349 - 26.5305101209948 split increased to 2 itime 555449 + acceleration/energy drift too large 2.91324123250213 + 10.3382167147394 split increased to 2 itime 553546 itsplit 1 - acceleration/energy drift too large 2.19775154762170 - 11.6997216870408 split increased to 2 itime 557387 + acceleration/energy drift too large 5.72593577009804 + 12.2178025953519 split increased to 2 itime 553742 itsplit 1 - acceleration/energy drift too large 1.47915811498575 - 11.4181550998662 split increased to 2 itime 558458 + acceleration/energy drift too large 2.32348447860099 + 12.8832003562691 split increased to 2 itime 554728 itsplit 1 - acceleration/energy drift too large 7.40674688751249 - 25.7980250531580 split increased to 2 itime 558603 + acceleration/energy drift too large 2.65345228154351 + 11.9350568091264 split increased to 2 itime 556097 itsplit 1 - acceleration/energy drift too large 2.48970509995056 - 17.5507929255567 split increased to 2 itime 559965 + acceleration/energy drift too large 5.40593823492931 + 18.0591145434685 split increased to 2 itime 556237 itsplit 1 -Velocities reset to random values, time 111999.80 - acceleration/energy drift too large 5.86918439243631 - 12.4501797213461 split increased to 2 itime 562926 + acceleration/energy drift too large 2.48044627707574 + 13.3451732568760 split increased to 2 itime 557523 + itsplit 1 + acceleration/energy drift too large 7.17238817481010 + 20.8597683535904 split increased to 2 itime 558861 itsplit 1 - acceleration/energy drift too large 4.94862795250665 - 17.1223079582701 split increased to 2 itime 563105 + acceleration/energy drift too large 4.16440538206498 + 16.8634965495816 split increased to 2 itime 558958 itsplit 1 - acceleration/energy drift too large 3.34733629114778 - 22.1435474310822 split increased to 2 itime 563904 +Velocities reset to random values, time 111999.80 + acceleration/energy drift too large 8.50162782931830 + 34.4242066338458 split increased to 2 itime 560531 itsplit 1 - acceleration/energy drift too large 3.49793975071332 - 15.0572661539993 split increased to 2 itime 565582 + acceleration/energy drift too large 5.96129782693190 + 10.7992012905561 split increased to 2 itime 561508 itsplit 1 - acceleration/energy drift too large 4.94365652341386 - 10.8167815942916 split increased to 2 itime 565600 + acceleration/energy drift too large 7.19540861290523 + 14.9834344175174 split increased to 2 itime 561659 itsplit 1 - acceleration/energy drift too large 2.13497412849550 - 12.5559497501989 split increased to 2 itime 567167 + acceleration/energy drift too large 2.55062521633187 + 10.8182879824186 split increased to 2 itime 561938 itsplit 1 - acceleration/energy drift too large 6.29262639367615 - 10.7149302190480 split increased to 2 itime 568237 + acceleration/energy drift too large 6.40921110041772 + 19.6864190050583 split increased to 2 itime 563940 itsplit 1 - acceleration/energy drift too large 3.90945429151435 - 15.2573143048390 split increased to 2 itime 568542 + acceleration/energy drift too large 3.07089535596161 + 17.0208663558253 split increased to 2 itime 564149 itsplit 1 - acceleration/energy drift too large 5.20493539487758 - 10.7128442098068 split increased to 2 itime 568849 + acceleration/energy drift too large 7.70813081060118 + 24.9084979112389 split increased to 2 itime 565114 itsplit 1 - acceleration/energy drift too large 2.54095273602809 - 16.3004797274468 split increased to 2 itime 569406 + acceleration/energy drift too large 9.51478299117786 + 37.1779929889402 split increased to 2 itime 569115 itsplit 1 Velocities reset to random values, time 113999.80 - acceleration/energy drift too large 9.17742326968023 - 29.0544029524750 split increased to 2 itime 570936 + acceleration/energy drift too large 2.11338207942155 + 14.4933323760914 split increased to 2 itime 570658 + itsplit 1 + acceleration/energy drift too large 1.44701745243612 + 12.7158276311942 split increased to 2 itime 570659 + itsplit 1 + acceleration/energy drift too large 5.42855806390507 + 10.8742475267334 split increased to 2 itime 570884 itsplit 1 - acceleration/energy drift too large 6.54840608785262 - 13.9759503442289 split increased to 2 itime 571056 + acceleration/energy drift too large 4.40750343344509 + 12.8537564003751 split increased to 2 itime 571770 itsplit 1 - acceleration/energy drift too large 2.80492652769202 - 12.3897453587319 split increased to 2 itime 574135 + acceleration/energy drift too large 2.60357457143584 + 12.0172387558219 split increased to 2 itime 572645 itsplit 1 - acceleration/energy drift too large 7.95827299688954 - 27.0970890315635 split increased to 2 itime 574629 + acceleration/energy drift too large 4.28848790118803 + 22.9797536450850 split increased to 2 itime 574630 itsplit 1 - acceleration/energy drift too large 4.58484924675718 - 10.2462644251674 split increased to 2 itime 575745 + acceleration/energy drift too large 2.94107489869127 + 14.7461231819051 split increased to 2 itime 575116 itsplit 1 - acceleration/energy drift too large 2.25332404536768 - 12.8302912384764 split increased to 2 itime 577521 + acceleration/energy drift too large 4.76183281721667 + 17.5066907884071 split increased to 2 itime 576450 itsplit 1 - acceleration/energy drift too large 10.4563882258878 - 69.0682147756401 split increased to 2 itime 577843 + acceleration/energy drift too large 3.00658263891984 + 16.5577826207041 split increased to 2 itime 576907 + itsplit 1 + acceleration/energy drift too large 4.02716639838540 + 18.8375298065064 split increased to 2 itime 578113 + itsplit 1 + acceleration/energy drift too large 6.14155914498378 + 21.8450504531363 split increased to 2 itime 578639 + itsplit 1 + acceleration/energy drift too large 3.25974255858672 + 12.0624313444593 split increased to 2 itime 578938 itsplit 1 Velocities reset to random values, time 115999.80 - acceleration/energy drift too large 2.94382091468212 - 15.2183446455799 split increased to 2 itime 587079 + acceleration/energy drift too large 5.40949717213146 + 10.9479542465665 split increased to 2 itime 580478 + itsplit 1 + acceleration/energy drift too large 4.32405326738603 + 13.5297983710899 split increased to 2 itime 581250 itsplit 1 - acceleration/energy drift too large 9.72831816375565 - 40.5767003244547 split increased to 2 itime 588820 + acceleration/energy drift too large 3.51821471873107 + 21.2232918901982 split increased to 2 itime 581474 itsplit 1 - acceleration/energy drift too large 5.29814542992048 - 16.3104778243298 split increased to 2 itime 588879 + acceleration/energy drift too large 5.15572924184785 + 13.0842442905218 split increased to 2 itime 583124 itsplit 1 - acceleration/energy drift too large 4.86769954611960 - 33.4984288460723 split increased to 2 itime 589038 + acceleration/energy drift too large 7.47881219708562 + 20.8939361685842 split increased to 2 itime 584573 itsplit 1 - acceleration/energy drift too large 1.48259598710568 - 11.5791942939149 split increased to 2 itime 589160 + acceleration/energy drift too large 2.61158613580691 + 15.2064485792440 split increased to 2 itime 584705 itsplit 1 - acceleration/energy drift too large 5.99904653062700 - 42.6177655926637 split increased to 2 itime 589366 + acceleration/energy drift too large 9.66270529177386 + 47.1687598825487 split increased to 2 itime 585247 + itsplit 1 + acceleration/energy drift too large 3.99636043375173 + 10.2474209124221 split increased to 2 itime 586145 + itsplit 1 + acceleration/energy drift too large 4.45149824304881 + 11.7627802907390 split increased to 2 itime 586557 + itsplit 1 + acceleration/energy drift too large 2.27782238712532 + 13.7626577018592 split increased to 2 itime 586858 + itsplit 1 + acceleration/energy drift too large 5.70052323789646 + 20.0999924867676 split increased to 2 itime 589054 itsplit 1 Velocities reset to random values, time 117999.80 - acceleration/energy drift too large 2.53215878853365 - 10.7678049460087 split increased to 2 itime 591046 + acceleration/energy drift too large 4.25643984581520 + 17.2027984357466 split increased to 2 itime 592670 + itsplit 1 + acceleration/energy drift too large 3.62273908146870 + 10.2434900330675 split increased to 2 itime 592748 itsplit 1 - acceleration/energy drift too large 6.04885358313373 - 16.3385215728903 split increased to 2 itime 594530 + acceleration/energy drift too large 7.01786000262888 + 15.7131867482425 split increased to 2 itime 593138 itsplit 1 - acceleration/energy drift too large 3.21143097147966 - 17.4828366698872 split increased to 2 itime 595187 + acceleration/energy drift too large 4.64471840380518 + 11.4043754227864 split increased to 2 itime 593187 itsplit 1 - acceleration/energy drift too large 5.82613753161231 - 14.5700923952942 split increased to 2 itime 596338 + acceleration/energy drift too large 5.18130550482570 + 13.9974558926156 split increased to 2 itime 593233 itsplit 1 - acceleration/energy drift too large 8.09167763309047 - 30.6607984676892 split increased to 2 itime 597454 + acceleration/energy drift too large 5.31136065250286 + 11.0875910905249 split increased to 2 itime 594024 itsplit 1 - acceleration/energy drift too large 5.06490467569374 - 15.1352963669831 split increased to 2 itime 597655 + acceleration/energy drift too large 6.29846923578178 + 16.4509275451319 split increased to 2 itime 595029 itsplit 1 - acceleration/energy drift too large 5.95798811350407 - 13.7152227253521 split increased to 2 itime 599854 + acceleration/energy drift too large 5.57681569412490 + 14.1562832302298 split increased to 2 itime 598476 itsplit 1 Velocities reset to random values, time 119999.80 REMD synchro at 600000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 246.597656250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 213.578125000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.66667 6 +ACC 1 250.00000 0.50000 6 ACC 2 260.00000 0.16667 6 -ACC 3 270.00000 0.66667 6 -ACC 4 280.00000 0.33333 6 -ACC 5 290.00000 0.83333 6 -ACC 6 300.00000 0.50000 6 -ACC 7 310.00000 0.50000 6 -ACC 8 320.00000 0.66667 6 -ACC 9 330.00000 0.66667 6 -ACC 10 340.00000 0.66667 6 -ACC 11 350.00000 0.66667 6 -ACC 12 360.00000 1.00000 6 -ACC 13 370.00000 0.83333 6 -ACC 14 380.00000 1.00000 6 -ACC 15 390.00000 0.83333 6 +ACC 3 270.00000 0.83333 6 +ACC 4 280.00000 0.50000 6 +ACC 5 290.00000 0.33333 6 +ACC 6 300.00000 0.83333 6 +ACC 7 310.00000 0.33333 6 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 9.71715874518612 - 59.8032874173844 split increased to 2 itime 607171 - itsplit 1 - acceleration/energy drift too large 4.40624250666789 - 12.4735464516614 split increased to 2 itime 608452 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 10.1826697391455 + 41.7912454451226 split increased to 2 itime 605679 itsplit 1 - acceleration/energy drift too large 4.92471626019456 - 12.8749967985790 split increased to 2 itime 608619 + acceleration/energy drift too large 2.08191847532473 + 16.0499589327684 split increased to 2 itime 605806 itsplit 1 - acceleration/energy drift too large 2.92638293351378 - 17.2687629694548 split increased to 2 itime 608847 + acceleration/energy drift too large 4.36542313451260 + 11.1842159532898 split increased to 2 itime 607158 itsplit 1 -Velocities reset to random values, time 121999.80 - acceleration/energy drift too large 6.76222420680634 - 20.4787665723596 split increased to 2 itime 610526 + acceleration/energy drift too large 4.05636278565401 + 10.4811795051820 split increased to 2 itime 607409 itsplit 1 - acceleration/energy drift too large 5.35938999590726 - 15.7494533417325 split increased to 2 itime 611332 + acceleration/energy drift too large 6.00755839767339 + 22.7194391885864 split increased to 2 itime 609689 itsplit 1 - acceleration/energy drift too large 5.33524414069573 - 10.9140893048528 split increased to 2 itime 612114 +Velocities reset to random values, time 121999.80 + acceleration/energy drift too large 5.26702643319799 + 21.0188876596244 split increased to 2 itime 610980 itsplit 1 - acceleration/energy drift too large 2.85977337754126 - 17.0767507163904 split increased to 2 itime 612265 + acceleration/energy drift too large 3.49993517070752 + 14.9208667751879 split increased to 2 itime 611902 itsplit 1 - acceleration/energy drift too large 3.01761334880526 - 11.9009045695825 split increased to 2 itime 615109 + acceleration/energy drift too large 5.30787101647502 + 17.3073284456886 split increased to 2 itime 612610 itsplit 1 - acceleration/energy drift too large 5.76895029471224 - 14.0020953103614 split increased to 2 itime 616290 + acceleration/energy drift too large 4.93408758467702 + 13.8414734468874 split increased to 2 itime 614457 itsplit 1 -Velocities reset to random values, time 123999.80 - acceleration/energy drift too large 5.00627731892210 - 15.9344036924909 split increased to 2 itime 620150 + acceleration/energy drift too large 5.81231821842087 + 13.2703779255864 split increased to 2 itime 614584 itsplit 1 - acceleration/energy drift too large 5.30241147190562 - 11.3698028078059 split increased to 2 itime 621072 + acceleration/energy drift too large 4.28429651093703 + 11.0344302507079 split increased to 2 itime 615238 itsplit 1 - acceleration/energy drift too large 12.7833135883039 - 67.1337457993802 split increased to 2 itime 621304 + acceleration/energy drift too large 6.11019596537981 + 18.3339914707745 split increased to 2 itime 617134 itsplit 1 - acceleration/energy drift too large 2.32973725771269 - 10.2049498086886 split increased to 4 itime 621304 - itsplit 2 - acceleration/energy drift too large 3.29420355352208 - 12.3258359780711 split increased to 2 itime 622091 + acceleration/energy drift too large 2.88663199403542 + 18.6840947697553 split increased to 2 itime 617177 itsplit 1 - acceleration/energy drift too large 5.71930806506670 - 15.7387058099748 split increased to 2 itime 623030 +Velocities reset to random values, time 123999.80 + acceleration/energy drift too large 7.06655452772110 + 20.7340333908513 split increased to 2 itime 620114 itsplit 1 - acceleration/energy drift too large 6.15119168429779 - 17.2693746264671 split increased to 2 itime 624095 + acceleration/energy drift too large 4.10846101780947 + 11.2753675354034 split increased to 2 itime 626157 itsplit 1 - acceleration/energy drift too large 4.93999527772330 - 13.3315197418524 split increased to 2 itime 625495 + acceleration/energy drift too large 1.29598157690236 + 10.3491236642465 split increased to 2 itime 627305 itsplit 1 - acceleration/energy drift too large 4.60198952011376 - 15.9485900764603 split increased to 2 itime 625821 + acceleration/energy drift too large 6.65521836251923 + 34.5084464911337 split increased to 2 itime 627811 itsplit 1 - acceleration/energy drift too large 12.0556188261804 - 69.8860709807945 split increased to 2 itime 626286 + acceleration/energy drift too large 4.99877099232653 + 16.9679027324202 split increased to 2 itime 628698 itsplit 1 - acceleration/energy drift too large 6.27665329714280 - 26.6759763933355 split increased to 2 itime 627929 + acceleration/energy drift too large 7.01432377711968 + 16.6107616474003 split increased to 2 itime 629441 itsplit 1 - acceleration/energy drift too large 5.16841085528000 - 25.5642572830610 split increased to 2 itime 628484 + acceleration/energy drift too large 3.07969288257490 + 13.9505957060182 split increased to 2 itime 629648 itsplit 1 - acceleration/energy drift too large 5.50937764328620 - 19.4157357197023 split increased to 2 itime 628606 +Velocities reset to random values, time 125999.80 + acceleration/energy drift too large 5.41015268510765 + 13.2926677539453 split increased to 2 itime 633434 itsplit 1 - acceleration/energy drift too large 3.05591740403203 - 24.4386443236678 split increased to 2 itime 629539 + acceleration/energy drift too large 8.13336972974411 + 26.3613037135260 split increased to 2 itime 633598 itsplit 1 - acceleration/energy drift too large 2.76462414439163 - 10.4596700568920 split increased to 2 itime 629713 + acceleration/energy drift too large 6.19913371792766 + 16.5623538038670 split increased to 2 itime 633797 itsplit 1 -Velocities reset to random values, time 125999.80 - acceleration/energy drift too large 5.04120310602140 - 12.6078173736158 split increased to 2 itime 631644 + acceleration/energy drift too large 3.55405865323335 + 10.9466488262826 split increased to 2 itime 633951 itsplit 1 - acceleration/energy drift too large 2.39949902546027 - 17.0504778937893 split increased to 2 itime 632769 + acceleration/energy drift too large 5.91222396039697 + 38.5389846391381 split increased to 2 itime 634129 itsplit 1 - acceleration/energy drift too large 3.34177919588478 - 28.0613572847578 split increased to 2 itime 635478 + acceleration/energy drift too large 8.41007722233682 + 33.8489690773965 split increased to 2 itime 634882 itsplit 1 - acceleration/energy drift too large 5.39761527381098 - 18.3093460100015 split increased to 2 itime 636093 + acceleration/energy drift too large 5.50281701867223 + 11.6766803988950 split increased to 2 itime 635205 itsplit 1 - acceleration/energy drift too large 4.54932031628597 - 13.8642384182678 split increased to 2 itime 639646 + acceleration/energy drift too large 2.54220302850923 + 14.5312745778162 split increased to 2 itime 637020 itsplit 1 Velocities reset to random values, time 127999.80 - acceleration/energy drift too large 6.91273824347971 - 35.1469077072675 split increased to 2 itime 640532 + acceleration/energy drift too large 6.57732641563244 + 30.9490136704118 split increased to 2 itime 642327 itsplit 1 - acceleration/energy drift too large 2.65603008549948 - 13.4475672506537 split increased to 2 itime 642883 + acceleration/energy drift too large 2.25341650320517 + 11.9688353824046 split increased to 2 itime 642675 itsplit 1 - acceleration/energy drift too large 4.39385041471738 - 11.0331370806649 split increased to 2 itime 645983 + acceleration/energy drift too large 5.10118204447355 + 17.2848132575282 split increased to 2 itime 644932 itsplit 1 - acceleration/energy drift too large 7.11392505819986 - 21.3984211886317 split increased to 2 itime 647683 + acceleration/energy drift too large 1.97854392557908 + 11.3176474866967 split increased to 2 itime 645723 itsplit 1 - acceleration/energy drift too large 2.59892604791826 - 10.7126511335512 split increased to 2 itime 649346 + acceleration/energy drift too large 4.69449860319236 + 16.8170439706153 split increased to 2 itime 647485 itsplit 1 - acceleration/energy drift too large 8.43553973350020 - 37.9038255467908 split increased to 2 itime 649675 +Velocities reset to random values, time 129999.80 + acceleration/energy drift too large 2.32708578468694 + 12.1877761595727 split increased to 2 itime 651757 itsplit 1 - acceleration/energy drift too large 2.30066816759875 - 27.7993441832080 split increased to 2 itime 649676 + acceleration/energy drift too large 6.95884308815614 + 20.6067157789001 split increased to 2 itime 652326 itsplit 1 -Velocities reset to random values, time 129999.80 - acceleration/energy drift too large 3.83954662955577 - 10.5153298841480 split increased to 2 itime 651801 + acceleration/energy drift too large 6.54617246651483 + 14.1981421851662 split increased to 2 itime 655794 itsplit 1 - acceleration/energy drift too large 3.76427566550022 - 10.9121844353233 split increased to 2 itime 652185 + acceleration/energy drift too large 7.04776117156244 + 19.0312841917958 split increased to 2 itime 655987 itsplit 1 - acceleration/energy drift too large 2.86185143034784 - 20.4232202744548 split increased to 2 itime 652275 + acceleration/energy drift too large 6.35310973070588 + 17.3514414665284 split increased to 2 itime 656002 itsplit 1 - acceleration/energy drift too large 4.29396444820257 - 10.1068911404815 split increased to 2 itime 654113 + acceleration/energy drift too large 8.10615608132612 + 24.5054745339687 split increased to 2 itime 657169 itsplit 1 - acceleration/energy drift too large 5.76822631513329 - 25.6356596718263 split increased to 2 itime 655791 +Velocities reset to random values, time 131999.80 + acceleration/energy drift too large 7.92456459725167 + 29.9204664741467 split increased to 2 itime 662268 itsplit 1 - acceleration/energy drift too large 1.92256810542904 - 17.0238302079479 split increased to 2 itime 655792 + acceleration/energy drift too large 4.68401598803802 + 14.1284272673549 split increased to 2 itime 662269 itsplit 1 - acceleration/energy drift too large 3.90414522769411 - 13.6878200408195 split increased to 2 itime 657293 + acceleration/energy drift too large 5.66997471279058 + 12.9172560980604 split increased to 2 itime 662517 itsplit 1 - acceleration/energy drift too large 4.73886927221301 - 22.3124043189652 split increased to 2 itime 658104 + acceleration/energy drift too large 4.42091752728146 + 21.3600989437071 split increased to 2 itime 662518 itsplit 1 - acceleration/energy drift too large 5.61217960662995 - 20.8143472632252 split increased to 2 itime 659317 + acceleration/energy drift too large 2.92242286571764 + 10.1222064510257 split increased to 2 itime 662546 itsplit 1 - acceleration/energy drift too large 5.27624729087840 - 11.3642346101039 split increased to 2 itime 659927 + acceleration/energy drift too large 2.40251819154470 + 10.0155988389765 split increased to 2 itime 662554 itsplit 1 -Velocities reset to random values, time 131999.80 - acceleration/energy drift too large 7.27138544505715 - 22.0522021734202 split increased to 2 itime 661344 + acceleration/energy drift too large 4.13888655550485 + 10.2073235737841 split increased to 2 itime 662564 itsplit 1 - acceleration/energy drift too large 6.76997060492267 - 18.7689454989263 split increased to 2 itime 663264 + acceleration/energy drift too large 4.07277182187866 + 12.7474719501635 split increased to 2 itime 664125 itsplit 1 - acceleration/energy drift too large 1.89498881590130 - 11.6924984697133 split increased to 2 itime 663265 + acceleration/energy drift too large 6.38090765019453 + 19.1191742433534 split increased to 2 itime 666765 itsplit 1 - acceleration/energy drift too large 4.71012071753865 - 24.7361124863986 split increased to 2 itime 665990 + acceleration/energy drift too large 6.11219526753053 + 17.8098594205163 split increased to 2 itime 667516 itsplit 1 - acceleration/energy drift too large 4.25256813735382 - 16.7266556658472 split increased to 2 itime 668575 + acceleration/energy drift too large 5.63757747609390 + 19.2680341424867 split increased to 2 itime 669523 itsplit 1 Velocities reset to random values, time 133999.80 - acceleration/energy drift too large 2.97028645724151 - 15.4115514672812 split increased to 2 itime 670170 + acceleration/energy drift too large 3.43226426251918 + 14.6021826966332 split increased to 2 itime 671150 itsplit 1 - acceleration/energy drift too large 4.71276635535120 - 13.9001211104302 split increased to 2 itime 670546 + acceleration/energy drift too large 12.2954901721432 + 79.3717978001933 split increased to 2 itime 671813 itsplit 1 - acceleration/energy drift too large 4.05665159859389 - 13.6518927915944 split increased to 2 itime 670791 + acceleration/energy drift too large 5.95052503323907 + 14.1723596494248 split increased to 2 itime 674212 itsplit 1 - acceleration/energy drift too large 4.81382067786864 - 10.7371078384639 split increased to 2 itime 671360 + acceleration/energy drift too large 7.88411043575611 + 25.5247921278167 split increased to 2 itime 675776 itsplit 1 - acceleration/energy drift too large 2.35211449692875 - 16.1371186919273 split increased to 2 itime 674269 + acceleration/energy drift too large 0.372480997022055 + 14.8861655663944 split increased to 2 itime 675777 itsplit 1 - acceleration/energy drift too large 3.45858212223954 - 10.6453284092327 split increased to 2 itime 676102 + acceleration/energy drift too large 8.95457109688312 + 36.4279299888510 split increased to 2 itime 676854 itsplit 1 - acceleration/energy drift too large 3.18069158781499 - 10.5184494090905 split increased to 2 itime 677010 + acceleration/energy drift too large 4.65139313435401 + 13.8851308471196 split increased to 2 itime 679541 itsplit 1 - acceleration/energy drift too large 8.27044292755897 - 17.8680409062391 split increased to 2 itime 677100 + acceleration/energy drift too large 6.62564046877236 + 20.2017265780920 split increased to 2 itime 679619 itsplit 1 Velocities reset to random values, time 135999.80 - acceleration/energy drift too large 3.81821696054580 - 24.2526821441175 split increased to 2 itime 681744 + acceleration/energy drift too large 5.01735617679267 + 10.9208452140704 split increased to 2 itime 681524 itsplit 1 - acceleration/energy drift too large 6.99061182290122 - 24.7359107735812 split increased to 2 itime 684913 + acceleration/energy drift too large 5.41271132497750 + 17.5846672840452 split increased to 2 itime 683351 itsplit 1 - acceleration/energy drift too large 3.98290241303336 - 11.7275853703771 split increased to 2 itime 686533 + acceleration/energy drift too large 5.78507915999790 + 25.7078840278376 split increased to 2 itime 684644 itsplit 1 - acceleration/energy drift too large 4.86885150597400 - 15.2934903355320 split increased to 2 itime 686885 + acceleration/energy drift too large 1.82286914072632 + 12.0173232854089 split increased to 2 itime 684645 itsplit 1 - acceleration/energy drift too large 4.71754649980239 - 12.8462508471881 split increased to 2 itime 687700 + acceleration/energy drift too large 6.60474337292753 + 14.9237180084655 split increased to 2 itime 684768 itsplit 1 - acceleration/energy drift too large 4.57767748221234 - 11.0000678006552 split increased to 2 itime 688084 + acceleration/energy drift too large 7.45696695677698 + 19.8958136395302 split increased to 2 itime 686851 + itsplit 1 + acceleration/energy drift too large 9.00412483112036 + 37.8041172989329 split increased to 2 itime 687712 itsplit 1 Velocities reset to random values, time 137999.80 - acceleration/energy drift too large 13.2997689068681 - 94.4635984333734 split increased to 2 itime 692228 + acceleration/energy drift too large 5.42042513785700 + 10.9847664127414 split increased to 2 itime 690057 + itsplit 1 + acceleration/energy drift too large 6.37635022065840 + 16.1386143111427 split increased to 2 itime 693484 itsplit 1 - acceleration/energy drift too large 8.77309310113610 - 19.8602818129925 split increased to 2 itime 693015 + acceleration/energy drift too large 3.81401772570808 + 12.4526391448514 split increased to 2 itime 693634 itsplit 1 - acceleration/energy drift too large 3.71047698450896 - 21.9360083048692 split increased to 2 itime 694769 + acceleration/energy drift too large 2.94644550321027 + 16.6975362010955 split increased to 2 itime 694582 + itsplit 1 + acceleration/energy drift too large 6.36073906302701 + 17.3368459504827 split increased to 2 itime 696406 + itsplit 1 + acceleration/energy drift too large 2.21343915119910 + 12.0894867567105 split increased to 2 itime 697437 + itsplit 1 + acceleration/energy drift too large 7.17585688050955 + 20.2696080350779 split increased to 2 itime 697999 + itsplit 1 + acceleration/energy drift too large 7.26916911969444 + 33.7825686222350 split increased to 2 itime 698424 itsplit 1 Velocities reset to random values, time 139999.80 REMD synchro at 700000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 287.238281250000 0.000000000000000E+000 + REMD gather times= 249.257812500000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.57143 7 -ACC 2 260.00000 0.14286 7 -ACC 3 270.00000 0.57143 7 -ACC 4 280.00000 0.42857 7 -ACC 5 290.00000 0.85714 7 -ACC 6 300.00000 0.42857 7 -ACC 7 310.00000 0.57143 7 -ACC 8 320.00000 0.57143 7 -ACC 9 330.00000 0.57143 7 -ACC 10 340.00000 0.71429 7 -ACC 11 350.00000 0.71429 7 -ACC 12 360.00000 1.00000 7 -ACC 13 370.00000 0.85714 7 -ACC 14 380.00000 1.00000 7 -ACC 15 390.00000 0.71429 7 +ACC 1 250.00000 0.42857 7 +ACC 2 260.00000 0.28571 7 +ACC 3 270.00000 0.71429 7 +ACC 4 280.00000 0.57143 7 +ACC 5 290.00000 0.42857 7 +ACC 6 300.00000 0.85714 7 +ACC 7 310.00000 0.42857 7 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 10.3778105513077 - 45.5705698821442 split increased to 2 itime 700713 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 2.98030284213297 + 15.1625602762865 split increased to 2 itime 700751 itsplit 1 - acceleration/energy drift too large 7.27573280681885 - 24.9773549123473 split increased to 2 itime 701689 + acceleration/energy drift too large 5.71090383793302 + 37.3191778288062 split increased to 2 itime 701505 itsplit 1 - acceleration/energy drift too large 6.95000881352936 - 21.0349886412081 split increased to 2 itime 703581 + acceleration/energy drift too large 5.47028002333940 + 11.1668265589130 split increased to 2 itime 705012 itsplit 1 - acceleration/energy drift too large 5.69628876858718 - 23.8161175695906 split increased to 2 itime 704264 + acceleration/energy drift too large 9.24381737363695 + 27.4756289788624 split increased to 2 itime 705930 itsplit 1 - acceleration/energy drift too large 3.93928634771575 - 10.1940724001607 split increased to 2 itime 704705 + acceleration/energy drift too large 3.07612046218623 + 11.3688275786235 split increased to 2 itime 707032 itsplit 1 - acceleration/energy drift too large 6.27973560454849 - 14.9305840329817 split increased to 2 itime 707585 + acceleration/energy drift too large 3.16344110320531 + 15.8654053534958 split increased to 2 itime 708083 itsplit 1 - acceleration/energy drift too large 6.31623307196396 - 19.7653590101662 split increased to 2 itime 707795 +Velocities reset to random values, time 141999.80 + acceleration/energy drift too large 4.31813701557933 + 11.0040763052800 split increased to 2 itime 714449 itsplit 1 - acceleration/energy drift too large 5.64308742094512 - 16.3528520241839 split increased to 2 itime 708635 + acceleration/energy drift too large 6.15219731653343 + 16.2775778065772 split increased to 2 itime 714513 itsplit 1 - acceleration/energy drift too large 4.64674972802479 - 18.9843998879432 split increased to 2 itime 709649 + acceleration/energy drift too large 5.62602409791245 + 15.3081702771435 split increased to 2 itime 714970 itsplit 1 -Velocities reset to random values, time 141999.80 - acceleration/energy drift too large 9.57199415528501 - 44.9230058722958 split increased to 2 itime 710918 + acceleration/energy drift too large 10.3337553633305 + 60.6317231587854 split increased to 2 itime 717330 itsplit 1 - acceleration/energy drift too large 6.27829155238554 - 20.2094809942395 split increased to 2 itime 712410 + acceleration/energy drift too large 11.8189391522868 + 45.9471319802159 split increased to 2 itime 717463 itsplit 1 - acceleration/energy drift too large 4.94108339671913 - 16.2454096534851 split increased to 2 itime 714916 + acceleration/energy drift too large 5.23165544000571 + 19.7176326964173 split increased to 2 itime 718683 itsplit 1 - acceleration/energy drift too large 1.58139072088629 - 11.3134504660929 split increased to 2 itime 717821 +Velocities reset to random values, time 143999.80 + acceleration/energy drift too large 4.25044698354245 + 12.1658595264425 split increased to 2 itime 720033 itsplit 1 - acceleration/energy drift too large 5.62619364680017 - 19.0758211139970 split increased to 2 itime 719701 + acceleration/energy drift too large 3.93007472495615 + 10.6593026675390 split increased to 2 itime 721778 itsplit 1 -Velocities reset to random values, time 143999.80 - acceleration/energy drift too large 8.90664511810799 - 30.7245742938004 split increased to 2 itime 720639 + acceleration/energy drift too large 2.65567495445656 + 15.0880133447686 split increased to 2 itime 722094 itsplit 1 - acceleration/energy drift too large 4.18101659782279 - 14.5463771146216 split increased to 2 itime 721665 + acceleration/energy drift too large 2.16350490198909 + 11.4767823983636 split increased to 2 itime 722428 itsplit 1 - acceleration/energy drift too large 6.31798074268771 - 18.6648250851177 split increased to 2 itime 723347 + acceleration/energy drift too large 2.15690707487652 + 11.3328956959234 split increased to 2 itime 722967 itsplit 1 - acceleration/energy drift too large 5.45922533867425 - 12.5303171763889 split increased to 2 itime 724356 + acceleration/energy drift too large 5.97179433211245 + 40.5769848113480 split increased to 2 itime 723118 itsplit 1 - acceleration/energy drift too large 3.66629266475106 - 14.9568924600617 split increased to 2 itime 727915 + acceleration/energy drift too large 2.03192581473556 + 12.3029425492832 split increased to 2 itime 723298 itsplit 1 - acceleration/energy drift too large 9.13010064304933 - 37.8993733018647 split increased to 2 itime 728265 + acceleration/energy drift too large 4.37978608946097 + 13.0289485268622 split increased to 2 itime 725763 itsplit 1 - acceleration/energy drift too large 5.32719379476917 - 19.3222371399577 split increased to 2 itime 729233 + acceleration/energy drift too large 4.70746540846082 + 19.4115332750815 split increased to 2 itime 729651 itsplit 1 Velocities reset to random values, time 145999.80 - acceleration/energy drift too large 7.21564885130355 - 18.1218745084352 split increased to 2 itime 733183 + acceleration/energy drift too large 5.67933642369643 + 27.5545898543466 split increased to 2 itime 731182 itsplit 1 - acceleration/energy drift too large 4.18084418088015 - 11.0738642328025 split increased to 2 itime 733427 + acceleration/energy drift too large 4.91044429163533 + 11.0650290855092 split increased to 2 itime 732689 itsplit 1 - acceleration/energy drift too large 5.87958189450254 - 24.7461867274068 split increased to 2 itime 735277 + acceleration/energy drift too large 12.9313349885834 + 100.855055605818 split increased to 2 itime 732859 itsplit 1 - acceleration/energy drift too large 6.18748492772104 - 14.9326830525905 split increased to 2 itime 735435 + acceleration/energy drift too large 5.40047850955713 + 21.0988120024570 split increased to 2 itime 734056 itsplit 1 - acceleration/energy drift too large 6.83995181617502 - 16.7581154678553 split increased to 2 itime 737989 + acceleration/energy drift too large 5.95903448404934 + 17.2289731746325 split increased to 2 itime 737306 itsplit 1 - acceleration/energy drift too large 1.67490689483482 - 10.7839989694902 split increased to 2 itime 737990 - itsplit 1 - acceleration/energy drift too large 6.79184559076221 - 15.8180365298599 split increased to 2 itime 739398 + acceleration/energy drift too large 6.10195582226718 + 15.5496311020804 split increased to 2 itime 739478 itsplit 1 Velocities reset to random values, time 147999.80 - acceleration/energy drift too large 3.30831403126013 - 11.1859602450591 split increased to 2 itime 742022 - itsplit 1 - acceleration/energy drift too large 4.07888915912230 - 13.2748829366573 split increased to 2 itime 742027 + acceleration/energy drift too large 3.29104758174081 + 14.9752252848966 split increased to 2 itime 741883 itsplit 1 - acceleration/energy drift too large 5.72499011188089 - 15.3263852424929 split increased to 2 itime 742738 + acceleration/energy drift too large 6.83006285721295 + 22.3448230630498 split increased to 2 itime 744246 itsplit 1 - acceleration/energy drift too large 7.83185407579471 - 19.4951971527134 split increased to 2 itime 743233 + acceleration/energy drift too large 5.20318600541056 + 16.5943072177434 split increased to 2 itime 748159 itsplit 1 - acceleration/energy drift too large 6.52887497863429 - 21.4564475249590 split increased to 2 itime 749310 + acceleration/energy drift too large 4.91874754998559 + 16.9446576882692 split increased to 2 itime 748611 itsplit 1 Velocities reset to random values, time 149999.80 - acceleration/energy drift too large 4.94921375391011 - 12.2242079505662 split increased to 2 itime 750276 + acceleration/energy drift too large 4.90632846478618 + 12.3860408695595 split increased to 2 itime 751255 itsplit 1 - acceleration/energy drift too large 11.1679888745769 - 62.0550631922757 split increased to 2 itime 752053 + acceleration/energy drift too large 2.13094731061705 + 11.6376590061327 split increased to 2 itime 751297 itsplit 1 - acceleration/energy drift too large 4.89572586133282 - 10.7894332258531 split increased to 2 itime 755735 + acceleration/energy drift too large 3.14145091217738 + 10.5515283532828 split increased to 2 itime 752267 itsplit 1 - acceleration/energy drift too large 4.63367814375340 - 16.0053753500892 split increased to 2 itime 755990 + acceleration/energy drift too large 3.20054215997908 + 10.2709420079259 split increased to 2 itime 754025 itsplit 1 - acceleration/energy drift too large 6.70881450263157 - 21.9401424860544 split increased to 2 itime 756758 + acceleration/energy drift too large 4.36258999523956 + 10.6268256606986 split increased to 2 itime 754800 itsplit 1 - acceleration/energy drift too large 2.59574291918531 - 15.1827344266691 split increased to 2 itime 757037 + acceleration/energy drift too large 4.89841056859108 + 11.0970275163120 split increased to 2 itime 758419 itsplit 1 -Velocities reset to random values, time 151999.80 - acceleration/energy drift too large 7.32034953554721 - 19.8162048344026 split increased to 2 itime 760706 + acceleration/energy drift too large 6.50686821938340 + 24.8598229314704 split increased to 2 itime 759009 itsplit 1 - acceleration/energy drift too large 7.48416048631258 - 27.1719402067542 split increased to 2 itime 762342 + acceleration/energy drift too large 4.87447668097329 + 15.2778211283157 split increased to 2 itime 759796 itsplit 1 - acceleration/energy drift too large 4.18588105437259 - 15.4932857043460 split increased to 2 itime 762864 +Velocities reset to random values, time 151999.80 + acceleration/energy drift too large 7.55516668868715 + 26.1276470926576 split increased to 2 itime 760111 itsplit 1 - acceleration/energy drift too large 6.54325795200421 - 20.9453564287120 split increased to 2 itime 763167 + acceleration/energy drift too large 4.38657781232892 + 12.3918964220736 split increased to 2 itime 762997 itsplit 1 - acceleration/energy drift too large 1.45408992370410 - 10.6691353890354 split increased to 2 itime 763168 + acceleration/energy drift too large 5.44902172386597 + 25.2894990201077 split increased to 2 itime 764814 itsplit 1 - acceleration/energy drift too large 2.82344793669962 - 14.7804760111857 split increased to 2 itime 764078 + acceleration/energy drift too large 4.17481262091874 + 14.5503151767629 split increased to 2 itime 765159 itsplit 1 - acceleration/energy drift too large 8.31820693210541 - 33.9992073588097 split increased to 2 itime 766434 + acceleration/energy drift too large 7.10709340958972 + 20.8273817741899 split increased to 2 itime 766245 itsplit 1 - acceleration/energy drift too large 2.96568614245952 - 11.4882593662374 split increased to 2 itime 767142 + acceleration/energy drift too large 1.99202461567939 + 11.5165242173635 split increased to 2 itime 766944 itsplit 1 -Velocities reset to random values, time 153999.80 - acceleration/energy drift too large 6.97846234309328 - 21.1599471495579 split increased to 2 itime 770104 + acceleration/energy drift too large 10.7704259176221 + 59.1151013026033 split increased to 2 itime 768829 itsplit 1 - acceleration/energy drift too large 6.07186105990665 - 17.0411709570779 split increased to 2 itime 772282 +Velocities reset to random values, time 153999.80 + acceleration/energy drift too large 5.56734469738377 + 11.8985602662016 split increased to 2 itime 772340 itsplit 1 - acceleration/energy drift too large 4.13149609079361 - 16.1542632063644 split increased to 2 itime 773044 + acceleration/energy drift too large 6.87876777297084 + 13.4702023046572 split increased to 2 itime 772588 itsplit 1 - acceleration/energy drift too large 3.58024752183285 - 10.9986196865224 split increased to 2 itime 774074 + acceleration/energy drift too large 3.12887624603101 + 23.8560634665886 split increased to 2 itime 774152 itsplit 1 - acceleration/energy drift too large 4.65933869631464 - 11.3020894912283 split increased to 2 itime 775762 + acceleration/energy drift too large 8.13171328729888 + 21.1590630147549 split increased to 2 itime 777549 itsplit 1 - acceleration/energy drift too large 6.64324453541183 - 23.8329909845452 split increased to 2 itime 777131 + acceleration/energy drift too large 5.66291753397399 + 13.1637639245027 split increased to 2 itime 778844 itsplit 1 -Velocities reset to random values, time 155999.80 - acceleration/energy drift too large 6.21725848487174 - 25.5192016738765 split increased to 2 itime 781969 + acceleration/energy drift too large 3.03009952632132 + 10.0947303704778 split increased to 2 itime 779555 itsplit 1 - acceleration/energy drift too large 5.28482788139553 - 11.5832453886868 split increased to 2 itime 782431 + acceleration/energy drift too large 6.24453833384427 + 16.5653679697955 split increased to 2 itime 779924 itsplit 1 - acceleration/energy drift too large 5.41197131488078 - 20.5645222904982 split increased to 2 itime 785602 - itsplit 1 - acceleration/energy drift too large 4.21617607792446 - 12.4151289744401 split increased to 2 itime 785662 +Velocities reset to random values, time 155999.80 + acceleration/energy drift too large 5.34219953382690 + 21.4856701496654 split increased to 2 itime 783634 itsplit 1 - acceleration/energy drift too large 5.65334441539085 - 19.8128836173558 split increased to 2 itime 785798 + acceleration/energy drift too large 4.93612441773943 + 16.6268415803952 split increased to 2 itime 783995 itsplit 1 - acceleration/energy drift too large 6.83070723864076 - 19.6384142278756 split increased to 2 itime 786290 + acceleration/energy drift too large 7.04852799570965 + 28.1098831525805 split increased to 2 itime 784894 itsplit 1 - acceleration/energy drift too large 5.46846480378341 - 13.6903747152896 split increased to 2 itime 786291 + acceleration/energy drift too large 10.5130498736519 + 39.7610736528728 split increased to 2 itime 785437 itsplit 1 - acceleration/energy drift too large 13.0371271915984 - 83.8643176917916 split increased to 2 itime 786459 + acceleration/energy drift too large 3.32516950419957 + 10.2036419622450 split increased to 2 itime 786886 itsplit 1 - acceleration/energy drift too large 2.53750747410760 - 13.1257901957793 split increased to 4 itime 786459 + acceleration/energy drift too large 2.94948989509331 + 12.4765753196234 split increased to 2 itime 786963 itsplit 1 - acceleration/energy drift too large 5.05341198342882 - 18.6910663504077 split increased to 2 itime 786526 + acceleration/energy drift too large 4.32448863635818 + 11.8264753727095 split increased to 2 itime 788845 itsplit 1 - acceleration/energy drift too large 5.54498610041270 - 10.1127896865556 split increased to 2 itime 788113 + acceleration/energy drift too large 4.52540042756541 + 12.6614827064288 split increased to 2 itime 789268 itsplit 1 - acceleration/energy drift too large 2.90616231253841 - 17.3750446284212 split increased to 2 itime 788363 +Velocities reset to random values, time 157999.80 + acceleration/energy drift too large 5.62149948857307 + 12.2612513625804 split increased to 2 itime 793341 itsplit 1 - acceleration/energy drift too large 5.71484421940178 - 14.9752755984658 split increased to 2 itime 788521 + acceleration/energy drift too large 5.11499748938699 + 12.4045664173420 split increased to 2 itime 794942 itsplit 1 -Velocities reset to random values, time 157999.80 - acceleration/energy drift too large 3.48438872244240 - 11.0277705412612 split increased to 2 itime 791053 + acceleration/energy drift too large 13.9429346987763 + 90.5408992953032 split increased to 2 itime 795090 itsplit 1 - acceleration/energy drift too large 7.28480866116712 - 21.8225684294232 split increased to 2 itime 793001 + acceleration/energy drift too large 9.02888476170483 + 37.5845641189447 split increased to 2 itime 795311 itsplit 1 - acceleration/energy drift too large 3.15715745140506 - 17.8421191129000 split increased to 2 itime 793953 + acceleration/energy drift too large 6.94264289745198 + 29.5273436000324 split increased to 2 itime 796331 itsplit 1 - acceleration/energy drift too large 3.15369662510729 - 11.0968276137573 split increased to 2 itime 794883 + acceleration/energy drift too large 6.24721694829120 + 18.8469619626446 split increased to 2 itime 798177 itsplit 1 - acceleration/energy drift too large 7.72057481913265 - 24.8835100133885 split increased to 2 itime 798908 + acceleration/energy drift too large 3.80713794876263 + 16.5316594353654 split increased to 2 itime 799235 itsplit 1 Velocities reset to random values, time 159999.80 REMD synchro at 800000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 328.550781250000 0.000000000000000E+000 + REMD gather times= 284.714843750000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.50000 8 -ACC 2 260.00000 0.12500 8 +ACC 1 250.00000 0.37500 8 +ACC 2 260.00000 0.37500 8 ACC 3 270.00000 0.62500 8 -ACC 4 280.00000 0.37500 8 -ACC 5 290.00000 0.87500 8 -ACC 6 300.00000 0.50000 8 -ACC 7 310.00000 0.50000 8 -ACC 8 320.00000 0.62500 8 -ACC 9 330.00000 0.62500 8 -ACC 10 340.00000 0.75000 8 -ACC 11 350.00000 0.62500 8 -ACC 12 360.00000 0.87500 8 -ACC 13 370.00000 0.87500 8 -ACC 14 380.00000 1.00000 8 -ACC 15 390.00000 0.62500 8 +ACC 4 280.00000 0.50000 8 +ACC 5 290.00000 0.37500 8 +ACC 6 300.00000 0.87500 8 +ACC 7 310.00000 0.37500 8 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 3.38237005481425 - 13.0177372503329 split increased to 2 itime 800382 - itsplit 1 - acceleration/energy drift too large 3.68687740502707 - 13.1131661952979 split increased to 2 itime 800387 - itsplit 1 - acceleration/energy drift too large 6.62429806890289 - 12.2670178116433 split increased to 2 itime 800938 - itsplit 1 - acceleration/energy drift too large 6.00459371892473 - 15.9760740580868 split increased to 2 itime 802758 - itsplit 1 - acceleration/energy drift too large 4.17606065745418 - 10.2323470782529 split increased to 2 itime 803761 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 10.0144928350343 + 46.0587983630557 split increased to 2 itime 800184 itsplit 1 - acceleration/energy drift too large 7.14104757757157 - 20.7982096617325 split increased to 2 itime 804047 + acceleration/energy drift too large 9.67913428379612 + 34.6125778474216 split increased to 2 itime 801078 itsplit 1 - acceleration/energy drift too large 2.83314361087813 - 12.8493895575084 split increased to 4 itime 804047 + acceleration/energy drift too large 9.21822915315924 + 38.5430256778914 split increased to 2 itime 801252 itsplit 1 - acceleration/energy drift too large 3.33130572746387 - 14.4036278564385 split increased to 2 itime 806263 + acceleration/energy drift too large 3.67098221682610 + 10.8190379030996 split increased to 2 itime 801610 itsplit 1 - acceleration/energy drift too large 12.1916474879637 - 56.5697056781182 split increased to 2 itime 807235 + acceleration/energy drift too large 7.46207851205996 + 21.8674945487901 split increased to 2 itime 801703 itsplit 1 - acceleration/energy drift too large 6.24713930055895 - 18.6589292216253 split increased to 2 itime 808243 + acceleration/energy drift too large 4.22127223841129 + 10.6341862990473 split increased to 2 itime 802426 itsplit 1 - acceleration/energy drift too large 6.03295922073790 - 40.7623276865984 split increased to 2 itime 808686 + acceleration/energy drift too large 5.92361270627371 + 20.5542569512312 split increased to 2 itime 802493 itsplit 1 - acceleration/energy drift too large 3.76743568790769 - 14.6040332829347 split increased to 2 itime 809142 + acceleration/energy drift too large 3.67889473156751 + 17.9970430020042 split increased to 2 itime 803169 itsplit 1 - acceleration/energy drift too large 4.13754874438400 - 18.2337725436080 split increased to 2 itime 809623 + acceleration/energy drift too large 4.84987462231309 + 22.0695578112414 split increased to 2 itime 803170 itsplit 1 -Velocities reset to random values, time 161999.80 - acceleration/energy drift too large 4.61915591810941 - 15.2083008276129 split increased to 2 itime 812048 + acceleration/energy drift too large 2.80880270899010 + 11.6125877540408 split increased to 2 itime 803173 itsplit 1 - acceleration/energy drift too large 6.67026259160006 - 16.1113234821336 split increased to 2 itime 813913 + acceleration/energy drift too large 2.20069399925816 + 11.7540052799904 split increased to 2 itime 803175 itsplit 1 - acceleration/energy drift too large 5.58387686436455 - 34.9327419785173 split increased to 2 itime 815133 + acceleration/energy drift too large 1.93841311218965 + 10.9673103458157 split increased to 2 itime 803188 itsplit 1 - acceleration/energy drift too large 4.08276807715154 - 19.0777719391742 split increased to 2 itime 816262 + acceleration/energy drift too large 3.74890290266633 + 10.5486545721318 split increased to 2 itime 804154 itsplit 1 - acceleration/energy drift too large 5.27950585884284 - 24.6189440909066 split increased to 2 itime 816612 + acceleration/energy drift too large 2.02720356783407 + 10.7992613063375 split increased to 2 itime 804449 itsplit 1 - acceleration/energy drift too large 6.81190392531213 - 24.6797017641099 split increased to 2 itime 816866 + acceleration/energy drift too large 3.98562293117618 + 11.7553732630033 split increased to 2 itime 809902 itsplit 1 - acceleration/energy drift too large 2.93320265977883 - 21.3972634743811 split increased to 2 itime 817074 +Velocities reset to random values, time 161999.80 + acceleration/energy drift too large 4.87096072638309 + 11.0529459915446 split increased to 2 itime 810039 itsplit 1 - acceleration/energy drift too large 7.48598917794396 - 32.6082284070652 split increased to 2 itime 817318 + acceleration/energy drift too large 8.68373774528801 + 36.1761213781448 split increased to 2 itime 810230 itsplit 1 - acceleration/energy drift too large 8.26129258186401 - 30.6228226158735 split increased to 2 itime 817966 + acceleration/energy drift too large 2.57542470724827 + 13.8931363367199 split increased to 2 itime 810750 itsplit 1 - acceleration/energy drift too large 4.77570704216971 - 22.0248529530527 split increased to 2 itime 818008 + acceleration/energy drift too large 6.00809410175134 + 16.9402968357086 split increased to 2 itime 811054 itsplit 1 - acceleration/energy drift too large 5.35228511113650 - 15.6578021514609 split increased to 2 itime 818163 + acceleration/energy drift too large 8.44652581265838 + 36.5064080816514 split increased to 2 itime 815721 itsplit 1 - acceleration/energy drift too large 4.46753689895765 - 24.3214321902305 split increased to 2 itime 818329 + acceleration/energy drift too large 4.33950604697843 + 15.5786657428535 split increased to 2 itime 815935 itsplit 1 - acceleration/energy drift too large 8.65704282458737 - 35.8732029872120 split increased to 2 itime 819528 + acceleration/energy drift too large 5.11413516920619 + 14.0176182280197 split increased to 2 itime 816204 itsplit 1 - acceleration/energy drift too large 5.78007710800197 - 22.0861024992975 split increased to 2 itime 819529 + acceleration/energy drift too large 4.19454483712278 + 13.9354615863791 split increased to 2 itime 818031 itsplit 1 - acceleration/energy drift too large 4.87823055857814 - 29.8210517689087 split increased to 2 itime 819530 + acceleration/energy drift too large 4.91974594897374 + 13.7280143898247 split increased to 2 itime 818611 itsplit 1 - acceleration/energy drift too large 5.74715504704695 - 25.1059119223681 split increased to 2 itime 819900 + acceleration/energy drift too large 9.87312029791632 + 47.4730941113071 split increased to 2 itime 819993 itsplit 1 Velocities reset to random values, time 163999.80 - acceleration/energy drift too large 7.76147643858833 - 29.4585233985278 split increased to 2 itime 821760 - itsplit 1 - acceleration/energy drift too large 3.83798515116589 - 13.2033374964672 split increased to 2 itime 821770 + acceleration/energy drift too large 15.9377741735990 + 109.981516963496 split increased to 2 itime 821120 itsplit 1 - acceleration/energy drift too large 2.49919679902956 - 14.0079057484298 split increased to 2 itime 822357 + acceleration/energy drift too large 6.63074424140523 + 18.0853507699415 split increased to 2 itime 823678 itsplit 1 - acceleration/energy drift too large 5.82407528491353 - 25.3257064881128 split increased to 2 itime 824671 + acceleration/energy drift too large 10.9591344221380 + 47.1431574731655 split increased to 2 itime 824191 itsplit 1 - acceleration/energy drift too large 5.32627469315376 - 27.4006405978295 split increased to 2 itime 825001 + acceleration/energy drift too large 9.25693752368486 + 39.1341075826864 split increased to 2 itime 824789 itsplit 1 - acceleration/energy drift too large 2.33214372413994 - 14.2912364737723 split increased to 2 itime 825739 + acceleration/energy drift too large 8.71849456054369 + 48.4489544063948 split increased to 2 itime 824966 itsplit 1 - acceleration/energy drift too large 6.22466386010683 - 17.9960686598819 split increased to 2 itime 826578 + acceleration/energy drift too large 3.08827201160116 + 11.0151583449631 split increased to 2 itime 825055 itsplit 1 - acceleration/energy drift too large 5.40935382198015 - 12.1564640761943 split increased to 2 itime 827613 + acceleration/energy drift too large 4.56866495478599 + 10.8991465341668 split increased to 2 itime 825258 itsplit 1 - acceleration/energy drift too large 6.86826673909432 - 29.2659566477914 split increased to 2 itime 827895 + acceleration/energy drift too large 5.25658901429289 + 12.4805350901147 split increased to 2 itime 825714 itsplit 1 - acceleration/energy drift too large 1.84483561906871 - 10.2687803467267 split increased to 2 itime 827906 + acceleration/energy drift too large 4.39111907265103 + 14.4790466575285 split increased to 2 itime 825921 itsplit 1 - acceleration/energy drift too large 4.41335974905746 - 13.2407898890004 split increased to 2 itime 828514 + acceleration/energy drift too large 3.24206116704603 + 11.3722546117671 split increased to 2 itime 827097 itsplit 1 - acceleration/energy drift too large 3.02034561393073 - 16.6338408090693 split increased to 2 itime 829946 + acceleration/energy drift too large 8.51993720113998 + 30.6829649707022 split increased to 2 itime 828015 itsplit 1 Velocities reset to random values, time 165999.80 - acceleration/energy drift too large 3.08452972545759 - 10.5044340844618 split increased to 2 itime 830652 + acceleration/energy drift too large 6.42081101076982 + 13.0099269447534 split increased to 2 itime 830819 itsplit 1 - acceleration/energy drift too large 4.25104832653793 - 23.6020327369768 split increased to 2 itime 831232 + acceleration/energy drift too large 1.80776064873616 + 12.7339395517631 split increased to 2 itime 832377 itsplit 1 - acceleration/energy drift too large 3.85856743565436 - 17.0170700739114 split increased to 2 itime 831257 + acceleration/energy drift too large 4.38988888384274 + 10.5957972553764 split increased to 2 itime 835491 itsplit 1 - acceleration/energy drift too large 5.83119008389862 - 17.2210768793317 split increased to 2 itime 831821 + acceleration/energy drift too large 5.89014982060224 + 19.0520818918456 split increased to 2 itime 837427 itsplit 1 - acceleration/energy drift too large 2.72811395369507 - 12.2677516099127 split increased to 2 itime 832689 + acceleration/energy drift too large 4.50201334973297 + 13.8031191957497 split increased to 2 itime 838631 itsplit 1 - acceleration/energy drift too large 6.59370874136313 - 28.4885900900972 split increased to 2 itime 835818 + acceleration/energy drift too large 5.35229876809666 + 16.2490178645464 split increased to 2 itime 838981 itsplit 1 - acceleration/energy drift too large 2.43937127054156 - 15.7146173182305 split increased to 2 itime 836053 + acceleration/energy drift too large 4.34739476454139 + 12.0288458334222 split increased to 2 itime 839489 itsplit 1 - acceleration/energy drift too large 6.92352713455002 - 22.3954301350214 split increased to 2 itime 836152 + acceleration/energy drift too large 3.52465961063615 + 29.2643078228743 split increased to 2 itime 839626 itsplit 1 - acceleration/energy drift too large 10.3377921290485 - 65.7154067717737 split increased to 2 itime 836657 +Velocities reset to random values, time 167999.80 + acceleration/energy drift too large 5.31246185846708 + 13.2134611432005 split increased to 2 itime 844267 itsplit 1 - acceleration/energy drift too large 6.19757696466051 - 20.0374099530676 split increased to 2 itime 836994 + acceleration/energy drift too large 4.22856339790588 + 14.1090669451684 split increased to 2 itime 844314 itsplit 1 - acceleration/energy drift too large 2.92297915921742 - 10.2742942501505 split increased to 2 itime 838306 + acceleration/energy drift too large 4.49850003855273 + 12.9163836747232 split increased to 2 itime 845704 itsplit 1 - acceleration/energy drift too large 2.40425053490664 - 10.9015965976524 split increased to 2 itime 838561 + acceleration/energy drift too large 6.30249494047512 + 28.5434324617584 split increased to 2 itime 846302 itsplit 1 - acceleration/energy drift too large 4.97086160917120 - 12.5812660991000 split increased to 2 itime 839160 + acceleration/energy drift too large 6.16627206706531 + 16.1676641049598 split increased to 2 itime 848318 itsplit 1 -Velocities reset to random values, time 167999.80 - acceleration/energy drift too large 4.42382407486215 - 20.5996592580773 split increased to 2 itime 840102 + acceleration/energy drift too large 6.66465120740014 + 12.4535768412289 split increased to 2 itime 848319 itsplit 1 - acceleration/energy drift too large 4.35570287778676 - 12.7768539335291 split increased to 2 itime 840130 + acceleration/energy drift too large 2.60168164857416 + 10.4093413097888 split increased to 2 itime 848695 itsplit 1 - acceleration/energy drift too large 11.9814639271485 - 70.1879084920940 split increased to 2 itime 841497 + acceleration/energy drift too large 5.26486794470177 + 18.9598815595068 split increased to 2 itime 849188 itsplit 1 - acceleration/energy drift too large 3.68225950799101 - 15.1774100075725 split increased to 2 itime 842027 +Velocities reset to random values, time 169999.80 + acceleration/energy drift too large 13.0298598742974 + 81.2739308835526 split increased to 2 itime 852754 itsplit 1 - acceleration/energy drift too large 5.52356101604260 - 21.6925019980335 split increased to 2 itime 842475 + acceleration/energy drift too large 2.67524326156509 + 10.4738163225106 split increased to 2 itime 853951 itsplit 1 - acceleration/energy drift too large 4.84176523358378 - 20.1892075942597 split increased to 2 itime 843439 + acceleration/energy drift too large 8.11850618245344 + 29.5064693231293 split increased to 2 itime 854001 itsplit 1 - acceleration/energy drift too large 4.34206175859455 - 20.2417658406234 split increased to 2 itime 844110 + acceleration/energy drift too large 4.33256648949501 + 15.1909652602891 split increased to 2 itime 854838 itsplit 1 - acceleration/energy drift too large 5.39278510422845 - 11.7355225791856 split increased to 2 itime 847857 + acceleration/energy drift too large 4.89987181187006 + 13.3045706312367 split increased to 2 itime 855379 itsplit 1 - acceleration/energy drift too large 9.32972240718352 - 42.9981090151215 split increased to 2 itime 848216 + acceleration/energy drift too large 5.21325164170653 + 13.6051554895195 split increased to 2 itime 856375 itsplit 1 - acceleration/energy drift too large 2.45326740453658 - 10.4502112328651 split increased to 2 itime 848663 +Velocities reset to random values, time 171999.80 + acceleration/energy drift too large 5.62253943151261 + 12.0553154785889 split increased to 2 itime 861835 itsplit 1 -Velocities reset to random values, time 169999.80 - acceleration/energy drift too large 4.01177317857258 - 15.4009906152363 split increased to 2 itime 852663 + acceleration/energy drift too large 11.5098905658010 + 64.1297798385964 split increased to 2 itime 864256 itsplit 1 - acceleration/energy drift too large 5.32832053515490 - 12.1204317802878 split increased to 2 itime 852686 + acceleration/energy drift too large 5.95422846572068 + 24.4111412286555 split increased to 2 itime 864867 itsplit 1 - acceleration/energy drift too large 3.98636743684713 - 15.6031059097922 split increased to 2 itime 852761 + acceleration/energy drift too large 10.0059611936565 + 48.6694628288689 split increased to 2 itime 864939 itsplit 1 - acceleration/energy drift too large 6.09133283299758 - 19.8555633563983 split increased to 2 itime 854979 + acceleration/energy drift too large 6.07239160356396 + 18.1367592963171 split increased to 2 itime 864943 itsplit 1 - acceleration/energy drift too large 3.29060199291763 - 13.0109398182878 split increased to 2 itime 856327 + acceleration/energy drift too large 6.79703251635262 + 28.0780028472701 split increased to 2 itime 864997 itsplit 1 - acceleration/energy drift too large 5.42684472176758 - 15.2348467137553 split increased to 2 itime 857245 + acceleration/energy drift too large 6.44054448083824 + 25.6458618868649 split increased to 2 itime 865365 itsplit 1 - acceleration/energy drift too large 6.58400124516784 - 20.3796919761434 split increased to 2 itime 859603 + acceleration/energy drift too large 12.8479733705808 + 82.3356861497736 split increased to 2 itime 865795 itsplit 1 -Velocities reset to random values, time 171999.80 - acceleration/energy drift too large 4.80220914999480 - 10.1339151576946 split increased to 2 itime 860051 + acceleration/energy drift too large 5.67198100582150 + 14.3635669094613 split increased to 2 itime 867993 itsplit 1 - acceleration/energy drift too large 5.61406210317378 - 13.1287090195770 split increased to 2 itime 862241 + acceleration/energy drift too large 2.55873507151801 + 13.5959987744691 split increased to 4 itime 867993 itsplit 1 - acceleration/energy drift too large 8.68857308572128 - 35.3468372891964 split increased to 2 itime 862544 + acceleration/energy drift too large 6.66925046678723 + 20.7174585512437 split increased to 2 itime 868118 itsplit 1 - acceleration/energy drift too large 7.72016803392450 - 34.0202217339789 split increased to 2 itime 863102 + acceleration/energy drift too large 4.85842984150068 + 13.7407619414036 split increased to 2 itime 868119 itsplit 1 - acceleration/energy drift too large 4.46722802391829 - 20.6389178636878 split increased to 2 itime 864411 + acceleration/energy drift too large 6.18123136936699 + 21.0148994320121 split increased to 2 itime 868502 itsplit 1 - acceleration/energy drift too large 4.26167219403029 - 17.7515715413730 split increased to 2 itime 865334 +Velocities reset to random values, time 173999.80 + acceleration/energy drift too large 4.09960289409584 + 11.6845142764567 split increased to 2 itime 870938 itsplit 1 - acceleration/energy drift too large 4.22973432515897 - 15.7119262696159 split increased to 2 itime 865360 + acceleration/energy drift too large 11.8856629740383 + 55.6837205809688 split increased to 2 itime 871743 itsplit 1 - acceleration/energy drift too large 3.42514822772696 - 28.5112804028908 split increased to 2 itime 865600 + acceleration/energy drift too large 2.77141098975897 + 18.7426992074569 split increased to 2 itime 872184 itsplit 1 - acceleration/energy drift too large 7.56665436731381 - 13.8427274354859 split increased to 2 itime 866445 + acceleration/energy drift too large 5.58055059921596 + 21.5082750442444 split increased to 2 itime 876225 itsplit 1 - acceleration/energy drift too large 5.75578779139162 - 16.2833218762952 split increased to 2 itime 866518 + acceleration/energy drift too large 7.07838364728875 + 23.3185474257782 split increased to 2 itime 879149 itsplit 1 - acceleration/energy drift too large 14.1661847765509 - 76.8908589401424 split increased to 2 itime 866547 +Velocities reset to random values, time 175999.80 + acceleration/energy drift too large 6.06450737161128 + 13.8408393935212 split increased to 2 itime 880213 itsplit 1 - acceleration/energy drift too large 4.76568051040051 - 17.5682634591496 split increased to 2 itime 866640 + acceleration/energy drift too large 2.44083328422809 + 12.1873872312791 split increased to 2 itime 880617 itsplit 1 - acceleration/energy drift too large 3.61741601860296 - 14.7319553745138 split increased to 2 itime 866664 + acceleration/energy drift too large 5.70632419071672 + 22.5344102485511 split increased to 2 itime 881321 itsplit 1 - acceleration/energy drift too large 4.23149370106149 - 11.2728063972302 split increased to 2 itime 867981 + acceleration/energy drift too large 11.1364225980696 + 52.9374407554207 split increased to 2 itime 882624 itsplit 1 - acceleration/energy drift too large 4.37261015614908 - 16.2752457006339 split increased to 2 itime 868277 + acceleration/energy drift too large 2.69404868633411 + 25.0314716667771 split increased to 2 itime 882625 itsplit 1 - acceleration/energy drift too large 5.39311996656503 - 14.8284667670240 split increased to 2 itime 868886 + acceleration/energy drift too large 4.07903262043377 + 15.9981522958248 split increased to 2 itime 882991 itsplit 1 - acceleration/energy drift too large 6.42637114225298 - 25.3752062598473 split increased to 2 itime 869480 + acceleration/energy drift too large 2.37776622328486 + 14.9803005430461 split increased to 2 itime 883565 itsplit 1 - acceleration/energy drift too large 3.61218759810998 - 10.1041583750837 split increased to 2 itime 869842 + acceleration/energy drift too large 4.49678843943006 + 16.5047470689385 split increased to 2 itime 883611 itsplit 1 -Velocities reset to random values, time 173999.80 - acceleration/energy drift too large 5.26224574508002 - 13.9609489980110 split increased to 2 itime 870684 + acceleration/energy drift too large 3.78563460593629 + 10.1430873009548 split increased to 2 itime 884211 itsplit 1 - acceleration/energy drift too large 4.58902038030952 - 15.1875174577019 split increased to 2 itime 873573 + acceleration/energy drift too large 7.01878127577334 + 25.0847236387067 split increased to 2 itime 886074 itsplit 1 - acceleration/energy drift too large 13.9613658556561 - 89.6770171184682 split increased to 2 itime 876474 + acceleration/energy drift too large 3.80158872123838 + 10.2068109271512 split increased to 2 itime 886373 itsplit 1 - acceleration/energy drift too large 5.19745848633278 - 13.5552548236322 split increased to 2 itime 876664 + acceleration/energy drift too large 4.28239650572156 + 11.2597787978187 split increased to 2 itime 886596 itsplit 1 - acceleration/energy drift too large 7.21262992004234 - 26.1162178372731 split increased to 2 itime 878940 + acceleration/energy drift too large 5.40465436969291 + 28.6547312076001 split increased to 2 itime 887871 itsplit 1 - acceleration/energy drift too large 3.19181255264547 - 26.8749444803355 split increased to 2 itime 879426 + acceleration/energy drift too large 4.31923143103046 + 24.3273951567461 split increased to 2 itime 888818 itsplit 1 -Velocities reset to random values, time 175999.80 - acceleration/energy drift too large 3.06977792748143 - 10.9931982294421 split increased to 2 itime 880666 + acceleration/energy drift too large 4.72528147016538 + 12.9551567293694 split increased to 2 itime 889722 itsplit 1 - acceleration/energy drift too large 2.75694849461784 - 11.7667639269563 split increased to 2 itime 882687 + acceleration/energy drift too large 5.46098934370341 + 20.6799348266644 split increased to 2 itime 889962 itsplit 1 - acceleration/energy drift too large 2.09375992110116 - 12.8053419691018 split increased to 2 itime 882743 +Velocities reset to random values, time 177999.80 + acceleration/energy drift too large 7.51819480280164 + 29.1817566363804 split increased to 2 itime 892426 itsplit 1 - acceleration/energy drift too large 7.06028544458109 - 23.8162294557140 split increased to 2 itime 884464 + acceleration/energy drift too large 5.97703001722951 + 23.9506153447269 split increased to 2 itime 892798 itsplit 1 - acceleration/energy drift too large 4.64639653219010 - 17.7407870408273 split increased to 2 itime 884469 + acceleration/energy drift too large 5.60817642161658 + 14.9382905827300 split increased to 2 itime 893794 itsplit 1 - acceleration/energy drift too large 7.70312672473051 - 16.5990540034600 split increased to 2 itime 885812 + acceleration/energy drift too large 4.67524066026650 + 22.3634233745264 split increased to 2 itime 894416 itsplit 1 - acceleration/energy drift too large 10.5966941671069 - 56.4906800020849 split increased to 2 itime 887024 + acceleration/energy drift too large 3.60360993414457 + 10.3499576745828 split increased to 2 itime 894474 itsplit 1 - acceleration/energy drift too large 4.52503097126906 - 10.1162669551670 split increased to 2 itime 887317 + acceleration/energy drift too large 5.34485999833850 + 15.9867071301139 split increased to 2 itime 894852 itsplit 1 -Velocities reset to random values, time 177999.80 - acceleration/energy drift too large 8.69619961973597 - 34.2998760748367 split increased to 2 itime 893460 + acceleration/energy drift too large 2.16109195155465 + 11.7355654251027 split increased to 2 itime 895621 + itsplit 1 + acceleration/energy drift too large 7.31402839055161 + 24.9696298679990 split increased to 2 itime 896353 itsplit 1 - acceleration/energy drift too large 4.81374567429138 - 21.4606246013860 split increased to 2 itime 894160 + acceleration/energy drift too large 3.99662110447582 + 11.7729831903406 split increased to 2 itime 897081 itsplit 1 - acceleration/energy drift too large 6.40577581382601 - 18.0537684065880 split increased to 2 itime 895597 + acceleration/energy drift too large 2.62587035061923 + 10.5111213158179 split increased to 2 itime 897608 itsplit 1 - acceleration/energy drift too large 8.92645731056566 - 41.9458186500683 split increased to 2 itime 896355 + acceleration/energy drift too large 3.30003708238771 + 13.2445009837186 split increased to 2 itime 897702 itsplit 1 - acceleration/energy drift too large 7.61581689275868 - 20.6076007994704 split increased to 2 itime 898012 + acceleration/energy drift too large 6.88890173447555 + 23.3801083945728 split increased to 2 itime 899814 itsplit 1 Velocities reset to random values, time 179999.80 REMD synchro at 900000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 369.171875000000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 320.140625000000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.44444 9 -ACC 2 260.00000 0.11111 9 +ACC 2 260.00000 0.33333 9 ACC 3 270.00000 0.66667 9 -ACC 4 280.00000 0.33333 9 -ACC 5 290.00000 0.88889 9 -ACC 6 300.00000 0.55556 9 +ACC 4 280.00000 0.44444 9 +ACC 5 290.00000 0.33333 9 +ACC 6 300.00000 0.88889 9 ACC 7 310.00000 0.44444 9 -ACC 8 320.00000 0.55556 9 -ACC 9 330.00000 0.55556 9 -ACC 10 340.00000 0.77778 9 -ACC 11 350.00000 0.55556 9 -ACC 12 360.00000 0.88889 9 -ACC 13 370.00000 0.88889 9 -ACC 14 380.00000 1.00000 9 -ACC 15 390.00000 0.66667 9 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 8.05481103337943 - 31.1250684426175 split increased to 2 itime 900965 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 4.02102462039751 + 15.5158845418606 split increased to 2 itime 900017 itsplit 1 - acceleration/energy drift too large 2.61701571818722 - 11.2523407808492 split increased to 2 itime 901069 + acceleration/energy drift too large 9.95066889248625 + 38.2856474988534 split increased to 2 itime 900631 itsplit 1 - acceleration/energy drift too large 5.02527464245620 - 30.8075250634187 split increased to 2 itime 902459 + acceleration/energy drift too large 7.26772023845555 + 19.7873137722317 split increased to 2 itime 901933 itsplit 1 - acceleration/energy drift too large 3.63754398330254 - 13.0323950177681 split increased to 2 itime 905694 + acceleration/energy drift too large 5.53284030360315 + 14.9272744165065 split increased to 2 itime 904350 itsplit 1 - acceleration/energy drift too large 5.15769862220467 - 20.1188377501454 split increased to 2 itime 909430 + acceleration/energy drift too large 5.92931777397568 + 12.2224770238185 split increased to 2 itime 904769 itsplit 1 - acceleration/energy drift too large 7.64897381808747 - 43.5816957290465 split increased to 2 itime 909945 + acceleration/energy drift too large 3.61806117379579 + 11.2035566868003 split increased to 2 itime 905337 itsplit 1 -Velocities reset to random values, time 181999.80 - acceleration/energy drift too large 6.43965794544967 - 19.4895452720833 split increased to 2 itime 915325 + acceleration/energy drift too large 3.65666446572350 + 12.0245910820428 split increased to 2 itime 905566 + itsplit 1 + acceleration/energy drift too large 4.81188412293407 + 27.1815982405668 split increased to 2 itime 905770 itsplit 1 - acceleration/energy drift too large 3.57245023717684 - 12.2804834660481 split increased to 2 itime 917812 + acceleration/energy drift too large 9.44011008821913 + 44.6930462719070 split increased to 2 itime 907564 + itsplit 1 +Velocities reset to random values, time 181999.80 + acceleration/energy drift too large 3.47935913884670 + 10.9130364521585 split increased to 2 itime 910167 itsplit 1 - acceleration/energy drift too large 2.76618512052184 - 16.0797115374640 split increased to 2 itime 918571 + acceleration/energy drift too large 5.86804986697991 + 19.7405569363795 split increased to 2 itime 911148 itsplit 1 - acceleration/energy drift too large 3.93706142966390 - 13.8735354497499 split increased to 2 itime 918967 + acceleration/energy drift too large 7.39829212836566 + 29.5947845868958 split increased to 2 itime 911179 itsplit 1 - acceleration/energy drift too large 5.55311303360152 - 10.7282234186528 split increased to 2 itime 919348 + acceleration/energy drift too large 4.74640450390593 + 14.6558230328883 split increased to 2 itime 916329 itsplit 1 Velocities reset to random values, time 183999.80 - acceleration/energy drift too large 2.69169427088324 - 11.0914612938132 split increased to 2 itime 920811 + acceleration/energy drift too large 8.33768525225879 + 26.7601376909023 split increased to 2 itime 923259 itsplit 1 - acceleration/energy drift too large 6.22566156787866 - 15.1582361098060 split increased to 2 itime 921276 + acceleration/energy drift too large 5.00286295485396 + 12.2284963291578 split increased to 2 itime 924468 itsplit 1 - acceleration/energy drift too large 2.98890256972757 - 11.1881202362247 split increased to 2 itime 921277 + acceleration/energy drift too large 4.36210392322541 + 11.1720820582765 split increased to 2 itime 924764 itsplit 1 - acceleration/energy drift too large 5.27814141151621 - 10.6341631584489 split increased to 2 itime 925823 + acceleration/energy drift too large 4.80276280133636 + 10.0655805737303 split increased to 2 itime 924779 itsplit 1 - acceleration/energy drift too large 5.81284524109278 - 24.5891252197165 split increased to 2 itime 927653 + acceleration/energy drift too large 4.73355568731303 + 11.0876632017267 split increased to 2 itime 927814 itsplit 1 - acceleration/energy drift too large 5.48119060386932 - 10.8480485065602 split increased to 2 itime 927898 + acceleration/energy drift too large 4.52771871998047 + 15.7437500710010 split increased to 2 itime 928160 itsplit 1 - acceleration/energy drift too large 8.51979883796464 - 42.4999980680505 split increased to 2 itime 928346 + acceleration/energy drift too large 5.88902423847263 + 13.7197167541697 split increased to 2 itime 928574 itsplit 1 -Velocities reset to random values, time 185999.80 - acceleration/energy drift too large 4.80529118356420 - 25.2031100504070 split increased to 2 itime 930834 + acceleration/energy drift too large 2.52971815358813 + 10.5499573088917 split increased to 2 itime 928749 itsplit 1 - acceleration/energy drift too large 5.02860584553965 - 12.7568458295912 split increased to 2 itime 931692 + acceleration/energy drift too large 4.42766245048050 + 13.6332822550316 split increased to 2 itime 928938 itsplit 1 - acceleration/energy drift too large 4.89229708246707 - 12.5377126475266 split increased to 2 itime 932447 +Velocities reset to random values, time 185999.80 + acceleration/energy drift too large 5.78894535827073 + 16.5242636974396 split increased to 2 itime 930990 itsplit 1 - acceleration/energy drift too large 4.55470478641012 - 12.4519867462869 split increased to 2 itime 934346 + acceleration/energy drift too large 5.46936648282992 + 10.8571743406201 split increased to 2 itime 934518 itsplit 1 - acceleration/energy drift too large 4.69468097998586 - 11.9087258610449 split increased to 2 itime 934689 + acceleration/energy drift too large 11.1896592795188 + 63.2275259316027 split increased to 2 itime 935252 itsplit 1 - acceleration/energy drift too large 3.18264593449796 - 11.0633353061993 split increased to 2 itime 934793 + acceleration/energy drift too large 5.58366120202778 + 12.3270695292112 split increased to 2 itime 936712 itsplit 1 - acceleration/energy drift too large 4.53434968843685 - 24.6277881599707 split increased to 2 itime 935343 + acceleration/energy drift too large 4.87183193633604 + 15.3028708793998 split increased to 2 itime 937239 itsplit 1 - acceleration/energy drift too large 4.90733753505980 - 10.5255027704337 split increased to 2 itime 935641 + acceleration/energy drift too large 5.35894933532379 + 15.5574215129715 split increased to 2 itime 939834 itsplit 1 - acceleration/energy drift too large 2.75682345103759 - 19.4700407057487 split increased to 2 itime 936307 +Velocities reset to random values, time 187999.80 + acceleration/energy drift too large 8.75652205516846 + 42.3448020237503 split increased to 2 itime 940032 itsplit 1 - acceleration/energy drift too large 4.60486379485938 - 10.2498467363683 split increased to 2 itime 936429 + acceleration/energy drift too large 4.16581971210663 + 12.0111211699114 split increased to 2 itime 940312 itsplit 1 - acceleration/energy drift too large 5.79733375322079 - 24.1610180437751 split increased to 2 itime 937093 + acceleration/energy drift too large 9.09327995154482 + 44.3598102183579 split increased to 2 itime 941006 itsplit 1 - acceleration/energy drift too large 5.51725381536469 - 32.0439873409124 split increased to 2 itime 937975 + acceleration/energy drift too large 9.79209629953121 + 34.4151974769309 split increased to 2 itime 944800 itsplit 1 - acceleration/energy drift too large 6.51073858825441 - 28.7804807643715 split increased to 2 itime 939602 + acceleration/energy drift too large 4.79085823006709 + 15.3570669671860 split increased to 2 itime 945143 itsplit 1 -Velocities reset to random values, time 187999.80 - acceleration/energy drift too large 4.69124760082540 - 18.9492456626369 split increased to 2 itime 940209 + acceleration/energy drift too large 5.62119810150331 + 11.4946190870664 split increased to 2 itime 947983 itsplit 1 - acceleration/energy drift too large 6.74917361811743 - 26.4067228155295 split increased to 2 itime 940552 +Velocities reset to random values, time 189999.80 + acceleration/energy drift too large 9.01260765622814 + 36.8040462033477 split increased to 2 itime 952088 itsplit 1 - acceleration/energy drift too large 2.30403830889995 - 11.0353766604116 split increased to 2 itime 940553 + acceleration/energy drift too large 4.28631414665599 + 10.9544997348908 split increased to 2 itime 953933 itsplit 1 - acceleration/energy drift too large 7.58938092984247 - 22.9615923802984 split increased to 2 itime 942358 + acceleration/energy drift too large 5.88006558337162 + 21.0222544784692 split increased to 2 itime 954315 itsplit 1 - acceleration/energy drift too large 2.76641659989110 - 14.3964130983322 split increased to 2 itime 942788 + acceleration/energy drift too large 12.5318100842654 + 64.0937037898180 split increased to 2 itime 954517 itsplit 1 -Velocities reset to random values, time 189999.80 - acceleration/energy drift too large 6.58530653390531 - 22.4859420632773 split increased to 2 itime 953719 + acceleration/energy drift too large 7.61431887221103 + 32.9230559357062 split increased to 2 itime 956060 itsplit 1 - acceleration/energy drift too large 2.20946495883106 - 11.2370277953960 split increased to 2 itime 953862 + acceleration/energy drift too large 6.83413599917343 + 21.8122442133075 split increased to 2 itime 957034 itsplit 1 - acceleration/energy drift too large 5.02444840583848 - 16.0241584872741 split increased to 2 itime 955055 + acceleration/energy drift too large 4.57167773729675 + 13.7163921298763 split increased to 2 itime 957164 itsplit 1 -Velocities reset to random values, time 191999.80 - acceleration/energy drift too large 2.10299074366612 - 19.5004738340991 split increased to 2 itime 960574 + acceleration/energy drift too large 5.93638867619750 + 24.2036767077889 split increased to 2 itime 958494 itsplit 1 - acceleration/energy drift too large 5.41995275991857 - 17.5218697503181 split increased to 2 itime 961110 + acceleration/energy drift too large 3.73557581742689 + 10.6697998114572 split increased to 2 itime 959669 itsplit 1 - acceleration/energy drift too large 11.9102885387065 - 71.0034174953536 split increased to 2 itime 965692 +Velocities reset to random values, time 191999.80 + acceleration/energy drift too large 4.95370891254555 + 14.5871931769989 split increased to 2 itime 966265 itsplit 1 - acceleration/energy drift too large 11.1274389276124 - 65.4047394032986 split increased to 2 itime 966331 + acceleration/energy drift too large 5.14283888419026 + 11.6176509719937 split increased to 2 itime 968672 itsplit 1 - acceleration/energy drift too large 4.24867145405369 - 12.0764923969973 split increased to 2 itime 966904 +Velocities reset to random values, time 193999.80 + acceleration/energy drift too large 2.54722250202266 + 14.7736679081352 split increased to 2 itime 970031 itsplit 1 - acceleration/energy drift too large 3.82817695875608 - 10.1489345125422 split increased to 2 itime 966955 + acceleration/energy drift too large 5.90736879035105 + 17.6400505547968 split increased to 2 itime 970191 itsplit 1 - acceleration/energy drift too large 7.47896016748512 - 27.6262383698179 split increased to 2 itime 968640 + acceleration/energy drift too large 4.12138474641927 + 11.2089675568162 split increased to 2 itime 970527 itsplit 1 -Velocities reset to random values, time 193999.80 - acceleration/energy drift too large 3.94393782285029 - 10.5862614622132 split increased to 2 itime 972125 + acceleration/energy drift too large 6.35086336317172 + 17.7636912400641 split increased to 2 itime 972353 itsplit 1 - acceleration/energy drift too large 5.76091206616941 - 11.5268674559521 split increased to 2 itime 975965 + acceleration/energy drift too large 2.80461369830794 + 17.3370195842921 split increased to 2 itime 974770 itsplit 1 - acceleration/energy drift too large 5.71679793282402 - 14.0795604230499 split increased to 2 itime 977564 + acceleration/energy drift too large 5.99120168771684 + 17.1668066777551 split increased to 2 itime 975322 itsplit 1 - acceleration/energy drift too large 3.62396320322734 - 28.6225936301255 split increased to 2 itime 979056 + acceleration/energy drift too large 4.78121785476616 + 14.8037195282929 split increased to 2 itime 977016 itsplit 1 Velocities reset to random values, time 195999.80 - acceleration/energy drift too large 4.18453503321953 - 11.0635650122307 split increased to 2 itime 980017 + acceleration/energy drift too large 5.09403158216797 + 11.1473384486920 split increased to 2 itime 982021 + itsplit 1 + acceleration/energy drift too large 12.7596230209904 + 81.6811570703305 split increased to 2 itime 983781 itsplit 1 - acceleration/energy drift too large 7.73835889693810 - 24.2414778992307 split increased to 2 itime 980985 + acceleration/energy drift too large 4.32252378337932 + 12.2900658605979 split increased to 2 itime 984232 itsplit 1 - acceleration/energy drift too large 12.3730317994160 - 71.8787411639125 split increased to 2 itime 981576 + acceleration/energy drift too large 5.23070207836692 + 12.8880537984517 split increased to 2 itime 988098 itsplit 1 - acceleration/energy drift too large 1.75743579269170 - 12.6933438961326 split increased to 2 itime 983419 + acceleration/energy drift too large 4.96756691083512 + 15.0476790121644 split increased to 2 itime 988443 itsplit 1 - acceleration/energy drift too large 6.32615527831737 - 17.2147332675926 split increased to 2 itime 985069 + acceleration/energy drift too large 5.78320807262524 + 15.1155532952766 split increased to 2 itime 989460 itsplit 1 Velocities reset to random values, time 197999.80 - acceleration/energy drift too large 6.26052207476379 - 18.1020521060995 split increased to 2 itime 991330 + acceleration/energy drift too large 10.1399894277332 + 45.3787328975799 split increased to 2 itime 990530 + itsplit 1 + acceleration/energy drift too large 6.88354063519417 + 20.6503767723630 split increased to 2 itime 990706 + itsplit 1 + acceleration/energy drift too large 7.20759831085889 + 20.0281551376275 split increased to 2 itime 991951 itsplit 1 - acceleration/energy drift too large 4.67394120722699 - 10.8622066679894 split increased to 2 itime 994289 + acceleration/energy drift too large 5.95745404256432 + 17.9047913882102 split increased to 2 itime 993004 itsplit 1 - acceleration/energy drift too large 5.22911240035505 - 12.3138345895850 split increased to 2 itime 995212 + acceleration/energy drift too large 4.12246249496279 + 14.0634875512511 split increased to 2 itime 993765 itsplit 1 - acceleration/energy drift too large 6.33230397412798 - 16.8702364297813 split increased to 2 itime 996909 + acceleration/energy drift too large 8.15505785233677 + 31.0777528362094 split increased to 2 itime 998681 itsplit 1 - acceleration/energy drift too large 4.53146621264599 - 18.1733607039933 split increased to 2 itime 998421 + acceleration/energy drift too large 3.10210845850870 + 14.5772770062321 split increased to 2 itime 998682 itsplit 1 Velocities reset to random values, time 199999.80 REMD synchro at 1000000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 writing restart at the end of run @@ -3318,12 +2951,12 @@ Velocities reset to random values, time 199999.80 =================================== Timing =================================== MD calculations setup: 1.17188E-02 - Energy & gradient evaluation: 3.75598E+02 + Energy & gradient evaluation: 3.33598E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.09824E+02 + MD steps: 3.55590E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 409.886718750000 sec + Total wall clock time 355.636718750000 sec