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
********************************************************************************
### 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
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
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
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
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
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
=================================== 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
projects / unres.git / blobdiff