Output file : 1L2Y_MREMD.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 32 time before 1.562500000000000E-002
+ MREMD 8 time before 2.343750000000000E-002
NREP= 16
- i2rep 1 1 2 2 3 3 4 4 5 5
- 6 6 7 7 8 8 9 9 10 10 11
- 11 12 12 13 13 14 14 15 15 16 16
- i2set 1 1 1 1 1 1 1 1 1 1
- 1 1 1 1 1 1 1 1 1 1 1
- 1 1 1 1 1 1 1 1 1 1 1
+ i2rep 1 1 2 2 3 3 4 4
+ i2set 1 1 1 1 1 1 1 1
i,j,il,il1,i_index(i,j,il,il1)
ifirst 1 2
nupa 1: 3 4
ndowna 7: 5 6
nupa 8: 9 10
ndowna 8: 5 6
- nupa 9: 11 12
-ndowna 9: 7 8
- nupa 10: 11 12
-ndowna 10: 7 8
- nupa 11: 13 14
-ndowna 11: 9 10
- nupa 12: 13 14
-ndowna 12: 9 10
- nupa 13: 15 16
-ndowna 13: 11 12
- nupa 14: 15 16
-ndowna 14: 11 12
- nupa 15: 17 18
-ndowna 15: 13 14
- nupa 16: 17 18
-ndowna 16: 13 14
- nupa 17: 19 20
-ndowna 17: 15 16
- nupa 18: 19 20
-ndowna 18: 15 16
- nupa 19: 21 22
-ndowna 19: 17 18
- nupa 20: 21 22
-ndowna 20: 17 18
- nupa 21: 23 24
-ndowna 21: 19 20
- nupa 22: 23 24
-ndowna 22: 19 20
- nupa 23: 25 26
-ndowna 23: 21 22
- nupa 24: 25 26
-ndowna 24: 21 22
- nupa 25: 27 28
-ndowna 25: 23 24
- nupa 26: 27 28
-ndowna 26: 23 24
- nupa 27: 29 30
-ndowna 27: 25 26
- nupa 28: 29 30
-ndowna 28: 25 26
- nupa 29: 31 32
-ndowna 29: 27 28
- nupa 30: 31 32
-ndowna 30: 27 28
- nupa 31:
-ndowna 31: 29 30
- nupa 32:
-ndowna 32: 29 30
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 2.343750000000000E-002
- acceleration/energy drift too large 6.01872884623843
- 20.2592193941127 split increased to 2 itime 139
+ Setup time 3.515625000000000E-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
+ acceleration/energy drift too large 4.81803111291750
+ 21.0032130702992 split increased to 2 itime 8920
itsplit 1
- acceleration/energy drift too large 5.05652196479640
- 14.4921485139768 split increased to 2 itime 13325
+ acceleration/energy drift too large 4.07939616361409
+ 10.0790452176611 split increased to 2 itime 9380
itsplit 1
- acceleration/energy drift too large 4.45939796981960
- 16.5366763212833 split increased to 2 itime 15176
- 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
- itsplit 1
- acceleration/energy drift too large 6.35545410294304
- 13.7955727228278 split increased to 2 itime 62315
+ acceleration/energy drift too large 11.6977569997741
+ 63.2873247084235 split increased to 2 itime 61205
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 2.37118338977475
- 10.3256968971107 split increased to 2 itime 81194
+ acceleration/energy drift too large 3.73747665057647
+ 11.0307445827144 split increased to 2 itime 78959
itsplit 1
- acceleration/energy drift too large 4.31667605360844
- 15.2052353631072 split increased to 2 itime 83700
+ acceleration/energy drift too large 5.65573169060239
+ 18.0894782004693 split increased to 2 itime 79329
itsplit 1
- acceleration/energy drift too large 4.82637085599304
- 23.3381873707151 split increased to 2 itime 84232
+ acceleration/energy drift too large 2.79813940370635
+ 11.3110696771280 split increased to 2 itime 79740
itsplit 1
- acceleration/energy drift too large 4.96954630655769
- 30.7957769669266 split increased to 2 itime 84269
+ acceleration/energy drift too large 6.86540355807712
+ 32.0187502316872 split increased to 2 itime 79913
+ itsplit 1
+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 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= 40.9687500000000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
+ REMD gather times= 35.4414062500000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
REMD writing traj time= 3.906250000000000E-003
NREP 16
-ACC 1 250.00000 0.50000 2
-ACC 2 260.00000 0.50000 2
-ACC 3 270.00000 0.50000 2
-ACC 4 280.00000 1.00000 2
-ACC 5 290.00000 1.00000 2
-ACC 6 300.00000 1.00000 2
-ACC 7 310.00000 1.00000 2
-ACC 8 320.00000 0.50000 2
-ACC 9 330.00000 0.50000 2
-ACC 10 340.00000 0.50000 2
-ACC 11 350.00000 1.00000 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= 0.000000000000000E+000
+ACC 1 250.00000 0.00000 2
+ACC 2 260.00000 1.00000 2
+ACC 3 270.00000 0.00000 2
+ACC 4 280.00000 0.66667 3
+ REMD scatter time= 3.906250000000000E-003
REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 5.30479153111135
- 32.7183846714053 split increased to 2 itime 100827
+ acceleration/energy drift too large 4.17934371249592
+ 10.2087980556613 split increased to 2 itime 101423
itsplit 1
- acceleration/energy drift too large 9.22099333317887
- 37.7678774510184 split increased to 2 itime 101064
+ acceleration/energy drift too large 6.71902465393580
+ 21.3954448227706 split increased to 2 itime 103088
itsplit 1
- acceleration/energy drift too large 6.83705434534516
- 19.7948572520227 split increased to 2 itime 103347
+ acceleration/energy drift too large 4.14212052145930
+ 10.2477771121734 split increased to 2 itime 103265
itsplit 1
- acceleration/energy drift too large 3.62758568381967
- 13.3868723618269 split increased to 2 itime 104771
+ acceleration/energy drift too large 2.86270849799843
+ 16.9928188701110 split increased to 2 itime 106414
itsplit 1
- acceleration/energy drift too large 1.28740660298988
- 10.9625518324737 split increased to 2 itime 104877
+ acceleration/energy drift too large 4.53177559730538
+ 11.4104194143493 split increased to 2 itime 106443
itsplit 1
- acceleration/energy drift too large 3.00359038965876
- 10.9089748353496 split increased to 2 itime 105225
+ acceleration/energy drift too large 4.18378287308024
+ 14.5005011242331 split increased to 2 itime 108779
itsplit 1
- acceleration/energy drift too large 6.59710964322336
- 19.9436512291436 split increased to 2 itime 105571
+ acceleration/energy drift too large 3.22598315055832
+ 12.6610528117019 split increased to 2 itime 108794
itsplit 1
- acceleration/energy drift too large 2.59450950912824
- 15.9477257800052 split increased to 2 itime 107435
+ acceleration/energy drift too large 6.46842098075620
+ 29.2446490055127 split increased to 2 itime 109179
itsplit 1
- acceleration/energy drift too large 11.8469126797054
- 62.6720329303470 split increased to 2 itime 109698
+ 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 4.67667714775613
- 14.3220169779296 split increased to 2 itime 114515
- itsplit 1
- acceleration/energy drift too large 1.47149135649588
- 13.2849595556945 split increased to 2 itime 114516
- itsplit 1
- acceleration/energy drift too large 6.53334308136208
- 17.1429048544320 split increased to 2 itime 114687
+ acceleration/energy drift too large 4.07483092898370
+ 15.2316275058643 split increased to 2 itime 110279
itsplit 1
- acceleration/energy drift too large 5.49126088265693
- 15.0726841996235 split increased to 2 itime 116232
+ acceleration/energy drift too large 3.64692400598470
+ 10.6619934251008 split increased to 2 itime 111456
itsplit 1
- acceleration/energy drift too large 2.35083952362108
- 16.2615651242920 split increased to 2 itime 119069
+ acceleration/energy drift too large 3.85390369821382
+ 11.3062549687424 split increased to 2 itime 111457
itsplit 1
- acceleration/energy drift too large 2.53374937388076
- 13.7890630887510 split increased to 2 itime 119365
+ acceleration/energy drift too large 2.65446013571373
+ 11.8140462542025 split increased to 2 itime 111574
itsplit 1
- acceleration/energy drift too large 5.68869941458716
- 17.1251864508609 split increased to 2 itime 119589
+ acceleration/energy drift too large 9.77762972964267
+ 38.7168616272138 split increased to 2 itime 111946
itsplit 1
-Velocities reset to random values, time 23999.80
- acceleration/energy drift too large 3.46875069672194
- 14.1650871917352 split increased to 2 itime 120024
+ acceleration/energy drift too large 4.06646189192008
+ 12.7941443273696 split increased to 2 itime 112101
itsplit 1
- acceleration/energy drift too large 5.35983273753198
- 17.7545992959714 split increased to 2 itime 120722
+ acceleration/energy drift too large 2.30009977904337
+ 14.5748776196732 split increased to 2 itime 112102
itsplit 1
- acceleration/energy drift too large 2.69115114165305
- 12.5578282153985 split increased to 2 itime 121072
+ acceleration/energy drift too large 3.11559314638457
+ 12.3996567956483 split increased to 2 itime 112228
itsplit 1
- acceleration/energy drift too large 8.92426812054165
- 43.0380153963682 split increased to 2 itime 121593
+ acceleration/energy drift too large 6.42906592389302
+ 20.5492049862529 split increased to 2 itime 112432
itsplit 1
- acceleration/energy drift too large 2.80862827736768
- 17.8780743426604 split increased to 4 itime 121593
+ acceleration/energy drift too large 5.05074993788673
+ 19.5702738091324 split increased to 2 itime 115678
itsplit 1
- acceleration/energy drift too large 6.44963434250421
- 27.0704195221939 split increased to 2 itime 123932
+ acceleration/energy drift too large 4.73192607788806
+ 11.6639262949098 split increased to 2 itime 118201
itsplit 1
- acceleration/energy drift too large 11.4204880014522
- 77.2449800161233 split increased to 2 itime 125528
+ acceleration/energy drift too large 9.82798207139148
+ 44.0083892371179 split increased to 2 itime 119150
itsplit 1
- acceleration/energy drift too large 6.26956083802194
- 15.0033705470759 split increased to 2 itime 129953
+Velocities reset to random values, time 23999.80
+ acceleration/energy drift too large 9.35182898270605
+ 30.7529040551124 split increased to 2 itime 120084
itsplit 1
-Velocities reset to random values, time 25999.80
- acceleration/energy drift too large 11.9950337692422
- 66.7445687178871 split increased to 2 itime 131446
+ acceleration/energy drift too large 6.47454305264028
+ 14.1597663554861 split increased to 2 itime 120767
itsplit 1
- acceleration/energy drift too large 7.39799040535664
- 25.4558017873048 split increased to 2 itime 133388
+ acceleration/energy drift too large 5.75121475895426
+ 31.5126053812392 split increased to 2 itime 121530
itsplit 1
- acceleration/energy drift too large 7.80533028372326
- 49.8575549355695 split increased to 2 itime 133766
+ acceleration/energy drift too large 5.85269657458831
+ 14.6075456348999 split increased to 2 itime 121942
itsplit 1
- acceleration/energy drift too large 4.57106664339688
- 11.5383805377247 split increased to 2 itime 135200
+ acceleration/energy drift too large 3.54090402384738
+ 13.1407731639353 split increased to 2 itime 124371
itsplit 1
- acceleration/energy drift too large 2.46638430907786
- 12.0236663284555 split increased to 2 itime 138415
+ acceleration/energy drift too large 10.3331096918765
+ 52.5133480143010 split increased to 2 itime 129714
itsplit 1
-Velocities reset to random values, time 27999.80
- acceleration/energy drift too large 4.09953985498909
- 11.4755856424183 split increased to 2 itime 140183
+Velocities reset to random values, time 25999.80
+ acceleration/energy drift too large 6.69684407284877
+ 25.0759133399658 split increased to 2 itime 131813
itsplit 1
- acceleration/energy drift too large 3.04683218402603
- 11.2554979946582 split increased to 2 itime 140926
+ acceleration/energy drift too large 4.38307762532523
+ 18.1062353093105 split increased to 2 itime 132199
itsplit 1
- acceleration/energy drift too large 3.79217439911290
- 10.8635749654404 split increased to 2 itime 142747
+ acceleration/energy drift too large 5.29885510902833
+ 38.0704093150957 split increased to 2 itime 132622
itsplit 1
- acceleration/energy drift too large 3.26775080400935
- 19.8580527907864 split increased to 2 itime 143947
+ acceleration/energy drift too large 2.85438260830311
+ 18.7164314768521 split increased to 2 itime 133181
itsplit 1
- acceleration/energy drift too large 6.91951069605565
- 21.0009780640194 split increased to 2 itime 144124
+ acceleration/energy drift too large 10.5920897391894
+ 70.2904279693642 split increased to 2 itime 135874
itsplit 1
- acceleration/energy drift too large 4.23198220778981
- 11.7038874075694 split increased to 2 itime 144960
+ acceleration/energy drift too large 7.46036615847225
+ 32.6234626144527 split increased to 2 itime 137718
itsplit 1
- acceleration/energy drift too large 3.61395855980471
- 26.7041938628218 split increased to 2 itime 145575
+ acceleration/energy drift too large 1.31915869612610
+ 11.2994888049436 split increased to 2 itime 138847
itsplit 1
- acceleration/energy drift too large 9.06140948726832
- 38.5046050873916 split increased to 2 itime 146889
+ acceleration/energy drift too large 6.86981840972510
+ 16.3256220950550 split increased to 2 itime 139281
itsplit 1
- acceleration/energy drift too large 4.36632722688913
- 14.8000149348647 split increased to 2 itime 148748
+ acceleration/energy drift too large 6.86293127945009
+ 34.8138590523399 split increased to 2 itime 139581
itsplit 1
- acceleration/energy drift too large 4.54092210925177
- 13.4100664026597 split increased to 2 itime 149897
+ acceleration/energy drift too large 9.12960252436226
+ 51.9124205480618 split increased to 2 itime 139819
itsplit 1
-Velocities reset to random values, time 29999.80
- acceleration/energy drift too large 6.47119178764283
- 10.7719348396560 split increased to 2 itime 151203
+Velocities reset to random values, time 27999.80
+ acceleration/energy drift too large 2.94586804262428
+ 14.1306372950158 split increased to 2 itime 143428
itsplit 1
- acceleration/energy drift too large 8.00413343430371
- 25.0047637139609 split increased to 2 itime 152674
+ acceleration/energy drift too large 6.04696930269584
+ 26.2326220057806 split increased to 2 itime 143768
itsplit 1
- acceleration/energy drift too large 8.11033650851310
- 43.2921294888434 split increased to 2 itime 153906
+ acceleration/energy drift too large 3.44034274144510
+ 10.8241372684479 split increased to 2 itime 144553
itsplit 1
- acceleration/energy drift too large 5.73774808748230
- 41.3121996205828 split increased to 2 itime 154566
+ acceleration/energy drift too large 4.40005254877327
+ 11.7661551075243 split increased to 2 itime 146748
itsplit 1
- acceleration/energy drift too large 4.83658630972499
- 11.2263777037460 split increased to 2 itime 156598
+ acceleration/energy drift too large 8.22483430917424
+ 12.4598072810491 split increased to 2 itime 149088
itsplit 1
- acceleration/energy drift too large 15.4574211568038
- 110.492945675102 split increased to 2 itime 157700
+ acceleration/energy drift too large 7.52857273732077
+ 31.3343094644287 split increased to 2 itime 149360
itsplit 1
- acceleration/energy drift too large 2.33923685921131
- 11.1333985374754 split increased to 4 itime 157700
- itsplit 2
- acceleration/energy drift too large 2.67362685257378
- 24.5366014360706 split increased to 2 itime 157902
+Velocities reset to random values, time 29999.80
+ acceleration/energy drift too large 4.69526830624144
+ 15.9496877155323 split increased to 2 itime 150685
itsplit 1
- acceleration/energy drift too large 4.20358949652687
- 15.5833076545541 split increased to 2 itime 158586
+ acceleration/energy drift too large 4.89342691578421
+ 16.2827823201418 split increased to 2 itime 153494
itsplit 1
- acceleration/energy drift too large 7.17712699417804
- 26.9852030152952 split increased to 2 itime 159307
+ acceleration/energy drift too large 10.1167166229062
+ 46.4257434770403 split increased to 2 itime 158250
itsplit 1
Velocities reset to random values, time 31999.80
- acceleration/energy drift too large 3.24794940144217
- 14.2734384626896 split increased to 2 itime 160193
- itsplit 1
- acceleration/energy drift too large 3.43970294419817
- 10.1171354204279 split increased to 2 itime 160199
- itsplit 1
- acceleration/energy drift too large 2.06897556646671
- 10.6296009166735 split increased to 2 itime 160200
- itsplit 1
- acceleration/energy drift too large 2.77169775964682
- 14.7755942435251 split increased to 2 itime 160211
- itsplit 1
- acceleration/energy drift too large 3.42977414913289
- 11.8186996365778 split increased to 2 itime 160217
- itsplit 1
- acceleration/energy drift too large 3.50975405150415
- 15.0678438787267 split increased to 2 itime 162389
- itsplit 1
- acceleration/energy drift too large 3.41646887105571
- 13.0056729464677 split increased to 2 itime 162559
- itsplit 1
- acceleration/energy drift too large 4.20560385169009
- 12.6608673993539 split increased to 2 itime 162629
+ acceleration/energy drift too large 2.90266792832498
+ 16.1653405369373 split increased to 2 itime 161880
itsplit 1
- acceleration/energy drift too large 8.85761141711838
- 34.9170962666287 split increased to 2 itime 163319
+ acceleration/energy drift too large 6.16955865188669
+ 18.4227137691214 split increased to 2 itime 162403
itsplit 1
- acceleration/energy drift too large 3.06853395465094
- 23.2095134557028 split increased to 2 itime 165420
+ acceleration/energy drift too large 3.40339172296479
+ 14.5641070801041 split increased to 2 itime 163702
itsplit 1
- acceleration/energy drift too large 11.5215696811755
- 73.0001952199420 split increased to 2 itime 167940
+ acceleration/energy drift too large 1.42116937979120
+ 10.5515496250852 split increased to 2 itime 165091
itsplit 1
- acceleration/energy drift too large 14.2581978392574
- 78.8414676738210 split increased to 2 itime 168392
- itsplit 1
- acceleration/energy drift too large 8.11137643447097
- 25.7749786429328 split increased to 2 itime 168987
+ acceleration/energy drift too large 2.50032822556853
+ 14.6682160146179 split increased to 2 itime 166460
itsplit 1
Velocities reset to random values, time 33999.80
- acceleration/energy drift too large 4.94449710560333
- 27.5960117047999 split increased to 2 itime 170962
+ acceleration/energy drift too large 11.2676088599452
+ 55.0268225107134 split increased to 2 itime 170845
itsplit 1
- acceleration/energy drift too large 5.80114466418178
- 37.0142957243123 split increased to 2 itime 171123
+ acceleration/energy drift too large 10.0584492935131
+ 48.1950278987103 split increased to 2 itime 173044
itsplit 1
- acceleration/energy drift too large 8.17697353258330
- 32.5607784627130 split increased to 2 itime 171238
+ acceleration/energy drift too large 4.06800375548260
+ 11.4104907706019 split increased to 2 itime 173300
itsplit 1
- acceleration/energy drift too large 4.67706335661793
- 13.8446094467380 split increased to 2 itime 171951
+ acceleration/energy drift too large 4.23811732793871
+ 13.8587056078574 split increased to 2 itime 174142
itsplit 1
- acceleration/energy drift too large 3.55821361094147
- 12.6928119421075 split increased to 2 itime 172153
+ acceleration/energy drift too large 5.98240632587128
+ 12.1728422710291 split increased to 2 itime 175337
itsplit 1
- acceleration/energy drift too large 2.68882159975445
- 18.7046804242565 split increased to 2 itime 172383
+ acceleration/energy drift too large 12.4001917299860
+ 55.7579610310665 split increased to 2 itime 175903
itsplit 1
- acceleration/energy drift too large 4.81339966386691
- 11.0429044904753 split increased to 2 itime 173978
+ acceleration/energy drift too large 13.7138109000118
+ 94.4108045050905 split increased to 2 itime 176224
itsplit 1
- acceleration/energy drift too large 6.44559547568225
- 17.5187311550819 split increased to 2 itime 175581
+ acceleration/energy drift too large 7.42152496537740
+ 22.6618547705327 split increased to 2 itime 177374
itsplit 1
-Velocities reset to random values, time 35999.80
- acceleration/energy drift too large 7.63015780686967
- 38.2167304588196 split increased to 2 itime 181534
+ acceleration/energy drift too large 3.39518157926419
+ 22.0998780473279 split increased to 2 itime 178172
itsplit 1
- acceleration/energy drift too large 4.24586808539030
- 27.1452160067227 split increased to 2 itime 184738
+Velocities reset to random values, time 35999.80
+ acceleration/energy drift too large 4.17087543730249
+ 19.1089099539533 split increased to 2 itime 182982
itsplit 1
- acceleration/energy drift too large 2.52604350435751
- 12.8679021516249 split increased to 2 itime 185131
+ acceleration/energy drift too large 2.41383969428954
+ 12.2915628180420 split increased to 2 itime 184614
itsplit 1
- acceleration/energy drift too large 3.07991978539439
- 18.4856171599058 split increased to 2 itime 187016
+ acceleration/energy drift too large 11.7026346117434
+ 50.7215076469975 split increased to 2 itime 186959
itsplit 1
- acceleration/energy drift too large 17.2341559140548
- 109.558196953544 split increased to 2 itime 187263
+ acceleration/energy drift too large 3.35109011360501
+ 20.1971093192822 split increased to 4 itime 186959
itsplit 1
- acceleration/energy drift too large 2.70407111680038
- 11.9766440019272 split increased to 2 itime 187797
+ acceleration/energy drift too large 7.74370998880844
+ 30.1808904020168 split increased to 2 itime 187322
itsplit 1
- acceleration/energy drift too large 2.85601163420964
- 10.4667912218996 split increased to 2 itime 187962
+ acceleration/energy drift too large 5.83905188213531
+ 15.1514408498309 split increased to 2 itime 189748
itsplit 1
- acceleration/energy drift too large 3.54860371888249
- 17.0409764352721 split increased to 2 itime 189108
+ acceleration/energy drift too large 4.18612495616765
+ 13.3494170031651 split increased to 2 itime 189829
itsplit 1
Velocities reset to random values, time 37999.80
- acceleration/energy drift too large 4.17545222375564
- 14.0350918790853 split increased to 2 itime 190536
+ acceleration/energy drift too large 5.65450971213563
+ 16.0492679051627 split increased to 2 itime 190385
+ itsplit 1
+ acceleration/energy drift too large 5.99788572869562
+ 14.8470084380186 split increased to 2 itime 192152
itsplit 1
- acceleration/energy drift too large 5.38725125175909
- 13.7194815171194 split increased to 2 itime 192983
+ acceleration/energy drift too large 2.42266985844801
+ 10.1890606959296 split increased to 2 itime 195046
itsplit 1
- acceleration/energy drift too large 4.13121779390983
- 10.4707404865971 split increased to 2 itime 195632
+ acceleration/energy drift too large 3.77678937362833
+ 10.6782321260063 split increased to 2 itime 195522
itsplit 1
- acceleration/energy drift too large 2.69929022213329
- 13.1670958223454 split increased to 2 itime 195633
+ acceleration/energy drift too large 4.21858966366682
+ 22.0878413973506 split increased to 2 itime 195622
itsplit 1
- acceleration/energy drift too large 4.30213556284370
- 16.6021758474957 split increased to 2 itime 196151
+ acceleration/energy drift too large 2.86907243915045
+ 20.5047036681515 split increased to 2 itime 199601
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 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= 82.4257812500000 0.000000000000000E+000
- REMD writing rst time= 7.812500000000000E-003
- REMD writing traj time= 0.000000000000000E+000
+ REMD gather times= 71.1054687500000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
+ REMD writing traj time= 3.906250000000000E-003
NREP 16
ACC 1 250.00000 0.25000 4
-ACC 2 260.00000 0.25000 4
-ACC 3 270.00000 0.50000 4
-ACC 4 280.00000 0.75000 4
-ACC 5 290.00000 1.00000 4
-ACC 6 300.00000 0.75000 4
-ACC 7 310.00000 0.50000 4
-ACC 8 320.00000 0.75000 4
-ACC 9 330.00000 0.50000 4
-ACC 10 340.00000 0.50000 4
-ACC 11 350.00000 1.00000 4
-ACC 12 360.00000 0.75000 4
-ACC 13 370.00000 1.00000 4
-ACC 14 380.00000 1.00000 4
-ACC 15 390.00000 1.00000 4
+ACC 2 260.00000 0.75000 4
+ACC 3 270.00000 0.25000 4
+ACC 4 280.00000 0.60000 5
REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 1.171875000000000E-002
- acceleration/energy drift too large 7.30090016283820
- 15.7095332932774 split increased to 2 itime 200041
- itsplit 1
- acceleration/energy drift too large 2.42357508774481
- 13.8339712481104 split increased to 2 itime 201335
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 2.16881736150626
+ 11.6211029017173 split increased to 2 itime 202587
itsplit 1
- acceleration/energy drift too large 2.56339983715425
- 16.0371804329780 split increased to 2 itime 201526
+ acceleration/energy drift too large 8.22320456541727
+ 30.3705855961487 split increased to 2 itime 202883
itsplit 1
- acceleration/energy drift too large 7.55589930988574
- 24.6175594354758 split increased to 2 itime 202603
+ acceleration/energy drift too large 10.2449186576237
+ 52.4739186173176 split increased to 2 itime 204780
itsplit 1
- acceleration/energy drift too large 2.93841099794953
- 18.6718639219353 split increased to 2 itime 207848
+ acceleration/energy drift too large 5.70024482129038
+ 17.1856329871537 split increased to 2 itime 205830
itsplit 1
- acceleration/energy drift too large 6.57747310707990
- 24.5034800133647 split increased to 2 itime 208740
+ acceleration/energy drift too large 7.27900715160537
+ 22.2819930132078 split increased to 2 itime 206065
itsplit 1
- acceleration/energy drift too large 2.83168809868655
- 16.7704745262047 split increased to 2 itime 209346
+ acceleration/energy drift too large 2.51285686180645
+ 11.8421875094489 split increased to 2 itime 206720
itsplit 1
- acceleration/energy drift too large 3.76135969385638
- 10.4831455893703 split increased to 2 itime 209988
+ acceleration/energy drift too large 6.42747083441139
+ 13.2041832820959 split increased to 2 itime 209143
itsplit 1
Velocities reset to random values, time 41999.80
- acceleration/energy drift too large 2.68658560955684
- 20.0265063324112 split increased to 2 itime 211006
+ acceleration/energy drift too large 10.9123416961225
+ 46.5114458906699 split increased to 2 itime 213048
itsplit 1
- acceleration/energy drift too large 7.00458441848942
- 22.0926248300972 split increased to 2 itime 212729
+ acceleration/energy drift too large 6.60350217622471
+ 12.8985249881525 split increased to 2 itime 213851
itsplit 1
- acceleration/energy drift too large 2.30068733485124
- 12.1738774115241 split increased to 2 itime 212950
+ acceleration/energy drift too large 5.36866243458460
+ 15.2021030104828 split increased to 2 itime 214783
itsplit 1
- acceleration/energy drift too large 8.55397300503514
- 31.6111139472683 split increased to 2 itime 213200
+ acceleration/energy drift too large 6.54435622895922
+ 12.2051670102381 split increased to 2 itime 215508
itsplit 1
- acceleration/energy drift too large 2.12345485781168
- 14.9237985195986 split increased to 2 itime 213449
- itsplit 1
- acceleration/energy drift too large 9.11976435795469
- 52.2898887375870 split increased to 2 itime 213545
- itsplit 1
- acceleration/energy drift too large 2.88176433900706
- 11.7912237553042 split increased to 2 itime 214716
+ acceleration/energy drift too large 6.32008944314661
+ 21.0544655287285 split increased to 2 itime 219089
itsplit 1
Velocities reset to random values, time 43999.80
- acceleration/energy drift too large 4.76808917908119
- 15.9308946339895 split increased to 2 itime 220144
- itsplit 1
- acceleration/energy drift too large 2.36642618455310
- 11.0144061062010 split increased to 2 itime 221270
- itsplit 1
- acceleration/energy drift too large 2.92527334489512
- 15.6715426426950 split increased to 2 itime 221668
+ acceleration/energy drift too large 5.22890361539869
+ 20.7056821001058 split increased to 2 itime 222371
itsplit 1
- acceleration/energy drift too large 3.59894411448008
- 11.1107191014724 split increased to 2 itime 222058
+ acceleration/energy drift too large 5.59391136942500
+ 11.4500798593686 split increased to 2 itime 223478
itsplit 1
- acceleration/energy drift too large 5.78835431098490
- 13.3093708837810 split increased to 2 itime 224122
- itsplit 1
- acceleration/energy drift too large 3.99231761831174
- 12.8986251999848 split increased to 2 itime 225566
- itsplit 1
- acceleration/energy drift too large 5.03770169547065
- 14.4393902079831 split increased to 2 itime 226145
- itsplit 1
- acceleration/energy drift too large 10.3554665602495
- 51.5033654655858 split increased to 2 itime 228607
+ acceleration/energy drift too large 5.77150787771130
+ 24.8518616086383 split increased to 2 itime 229175
itsplit 1
Velocities reset to random values, time 45999.80
- acceleration/energy drift too large 8.05806531710266
- 28.8555573947498 split increased to 2 itime 231119
+ acceleration/energy drift too large 5.73737565072782
+ 19.1876737706425 split increased to 2 itime 230764
itsplit 1
- acceleration/energy drift too large 3.60727368031391
- 22.0785135191138 split increased to 2 itime 234080
+ acceleration/energy drift too large 5.29020896341819
+ 19.9748904882164 split increased to 2 itime 234022
itsplit 1
- acceleration/energy drift too large 1.70525784718388
- 10.7413446217379 split increased to 2 itime 235449
+ acceleration/energy drift too large 4.33372838253363
+ 18.4218149172096 split increased to 2 itime 234755
itsplit 1
- acceleration/energy drift too large 1.57628025985414
- 11.1728863903929 split increased to 2 itime 235708
+ acceleration/energy drift too large 5.19378510366194
+ 17.4459855825311 split increased to 2 itime 236382
itsplit 1
- acceleration/energy drift too large 3.79752381663291
- 24.4572348002863 split increased to 2 itime 235813
+ acceleration/energy drift too large 6.88495807912893
+ 33.0908934405284 split increased to 2 itime 237714
itsplit 1
- acceleration/energy drift too large 3.65596796870913
- 23.1880298720412 split increased to 2 itime 238988
+ acceleration/energy drift too large 2.62257468480003
+ 12.4786925257212 split increased to 2 itime 237747
itsplit 1
- acceleration/energy drift too large 2.71936314809597
- 18.8825708665668 split increased to 2 itime 239232
+ acceleration/energy drift too large 7.38515821781302
+ 26.9964527222263 split increased to 2 itime 239289
itsplit 1
Velocities reset to random values, time 47999.80
- acceleration/energy drift too large 2.47032591107281
- 10.9075046296878 split increased to 2 itime 245214
- itsplit 1
- acceleration/energy drift too large 6.68159249653997
- 23.4360536297165 split increased to 2 itime 246124
+ acceleration/energy drift too large 3.87346544198130
+ 10.7184631294462 split increased to 2 itime 244002
itsplit 1
- acceleration/energy drift too large 5.17277593040770
- 11.4891680647349 split increased to 2 itime 249861
+ acceleration/energy drift too large 7.19782539757248
+ 23.1604823482505 split increased to 2 itime 245186
itsplit 1
-Velocities reset to random values, time 49999.80
- acceleration/energy drift too large 5.15567827352112
- 14.6234668383740 split increased to 2 itime 252279
- itsplit 1
- acceleration/energy drift too large 5.45218898768761
- 19.6740849541865 split increased to 2 itime 253840
+ acceleration/energy drift too large 2.63927590317688
+ 11.2769628510729 split increased to 2 itime 246299
itsplit 1
- acceleration/energy drift too large 4.27674928918327
- 12.0560902957838 split increased to 2 itime 256317
+ acceleration/energy drift too large 3.95993347856653
+ 12.9941278037519 split increased to 2 itime 246884
itsplit 1
- acceleration/energy drift too large 5.89510846708766
- 20.1060453055151 split increased to 2 itime 257318
- itsplit 1
-Velocities reset to random values, time 51999.80
- acceleration/energy drift too large 5.92801510090747
- 22.8305382087534 split increased to 2 itime 260439
+ acceleration/energy drift too large 3.75138061314166
+ 16.1523068508057 split increased to 2 itime 247147
itsplit 1
- acceleration/energy drift too large 6.18507516147294
- 19.0999571280660 split increased to 2 itime 263163
+Velocities reset to random values, time 49999.80
+ acceleration/energy drift too large 2.41716028123349
+ 11.9615216315768 split increased to 2 itime 250027
itsplit 1
- acceleration/energy drift too large 7.24020986098480
- 31.4291107757521 split increased to 2 itime 266460
+ acceleration/energy drift too large 5.61038686950059
+ 19.2189311434819 split increased to 2 itime 252540
itsplit 1
- acceleration/energy drift too large 6.04665066325909
- 13.2045410376898 split increased to 2 itime 266886
+ acceleration/energy drift too large 10.7608195134490
+ 54.1508956589706 split increased to 2 itime 253537
itsplit 1
- acceleration/energy drift too large 4.66026841148865
- 20.5167921658422 split increased to 2 itime 266956
+ acceleration/energy drift too large 5.35074089279080
+ 16.5659967269322 split increased to 2 itime 253965
itsplit 1
- acceleration/energy drift too large 5.70423760883707
- 15.4259467242031 split increased to 2 itime 268777
+ acceleration/energy drift too large 4.32146540995298
+ 11.1574002315605 split increased to 2 itime 255145
itsplit 1
- acceleration/energy drift too large 7.53428887904614
- 20.2300158871391 split increased to 2 itime 269194
+ acceleration/energy drift too large 7.08881474942714
+ 21.9528411572390 split increased to 2 itime 257775
itsplit 1
- acceleration/energy drift too large 2.60621408685723
- 16.3155411539841 split increased to 2 itime 269853
+Velocities reset to random values, time 51999.80
+ acceleration/energy drift too large 10.1408200722849
+ 50.3267262746123 split increased to 2 itime 262272
itsplit 1
-Velocities reset to random values, time 53999.80
- acceleration/energy drift too large 5.74325060053348
- 15.4945115980728 split increased to 2 itime 270770
+ acceleration/energy drift too large 14.0801114406264
+ 80.7757625408016 split increased to 2 itime 264245
itsplit 1
- acceleration/energy drift too large 9.87939218979541
- 33.7837453874661 split increased to 2 itime 276194
+ acceleration/energy drift too large 8.27643433714730
+ 30.0496912570776 split increased to 2 itime 264746
itsplit 1
- acceleration/energy drift too large 5.21156391837195
- 10.0979936026060 split increased to 2 itime 276527
+ acceleration/energy drift too large 7.70912445419297
+ 23.8755892757933 split increased to 2 itime 265529
itsplit 1
- acceleration/energy drift too large 6.14672081204588
- 16.5305278849373 split increased to 2 itime 277215
+ acceleration/energy drift too large 2.58366349253077
+ 14.2106649628383 split increased to 2 itime 266377
itsplit 1
- acceleration/energy drift too large 8.62006136446299
- 33.8226291806146 split increased to 2 itime 277544
+ acceleration/energy drift too large 2.54844966095662
+ 10.0312605383654 split increased to 2 itime 266378
itsplit 1
- acceleration/energy drift too large 2.60884468541901
- 12.7434801487574 split increased to 4 itime 277544
+ acceleration/energy drift too large 1.87200382710572
+ 15.9691862763909 split increased to 2 itime 266550
itsplit 1
- acceleration/energy drift too large 5.16077804443159
- 11.8794425656279 split increased to 2 itime 277758
+ acceleration/energy drift too large 2.11944822971283
+ 10.5344238021568 split increased to 2 itime 267413
itsplit 1
- acceleration/energy drift too large 4.94426554045047
- 14.8093307012506 split increased to 2 itime 277904
+ acceleration/energy drift too large 6.06534504237479
+ 25.1621696006685 split increased to 2 itime 267770
itsplit 1
-Velocities reset to random values, time 55999.80
- acceleration/energy drift too large 7.17459655174860
- 13.2412304825822 split increased to 2 itime 282778
+Velocities reset to random values, time 53999.80
+ acceleration/energy drift too large 2.47015319053648
+ 14.2916974625748 split increased to 2 itime 270434
itsplit 1
- acceleration/energy drift too large 4.22641348778808
- 10.1440059139484 split increased to 2 itime 284911
+ acceleration/energy drift too large 5.98505566824517
+ 15.4224749479059 split increased to 2 itime 271295
itsplit 1
- acceleration/energy drift too large 4.64582996423248
- 15.4837273910564 split increased to 2 itime 286473
+ acceleration/energy drift too large 6.80062035254884
+ 30.7055153673426 split increased to 2 itime 271631
itsplit 1
- acceleration/energy drift too large 4.08595625781387
- 11.1460974323839 split increased to 2 itime 286933
+ acceleration/energy drift too large 4.31912564232714
+ 11.1872069912410 split increased to 2 itime 271709
itsplit 1
- acceleration/energy drift too large 2.19067749869458
- 11.8843351515195 split increased to 2 itime 287486
+Velocities reset to random values, time 55999.80
+ acceleration/energy drift too large 8.09330085807051
+ 31.5790050396434 split increased to 2 itime 280504
itsplit 1
-Velocities reset to random values, time 57999.80
- acceleration/energy drift too large 4.57648020139244
- 12.5786733316445 split increased to 2 itime 290348
+ acceleration/energy drift too large 5.26339357777589
+ 13.1359035985485 split increased to 2 itime 282028
itsplit 1
- acceleration/energy drift too large 5.80267876042894
- 17.1998318064312 split increased to 2 itime 291055
+ acceleration/energy drift too large 6.17033536925067
+ 24.2433112778017 split increased to 2 itime 284418
itsplit 1
- acceleration/energy drift too large 8.40274351953998
- 39.4857927014631 split increased to 2 itime 292852
+ acceleration/energy drift too large 3.81914782313567
+ 11.1219668578769 split increased to 2 itime 286804
itsplit 1
- acceleration/energy drift too large 8.53178193741574
- 35.1859515915814 split increased to 2 itime 296389
+ acceleration/energy drift too large 8.17560121596226
+ 29.4655118725900 split increased to 2 itime 288581
itsplit 1
- acceleration/energy drift too large 2.40076289210309
- 18.2372146671887 split increased to 2 itime 296736
+ acceleration/energy drift too large 6.22086484098395
+ 17.5779309578201 split increased to 2 itime 289035
itsplit 1
- acceleration/energy drift too large 1.66755721706243
- 11.3829331634424 split increased to 2 itime 296804
+Velocities reset to random values, time 57999.80
+ acceleration/energy drift too large 5.27400121713009
+ 11.4004243729492 split increased to 2 itime 290508
itsplit 1
- acceleration/energy drift too large 4.95069416582966
- 16.5582299633402 split increased to 2 itime 297326
+ acceleration/energy drift too large 11.9734582487957
+ 78.0774137095788 split increased to 2 itime 293754
itsplit 1
- acceleration/energy drift too large 5.44096351126932
- 13.0203131736102 split increased to 2 itime 297849
+ acceleration/energy drift too large 3.52608872562150
+ 28.3326988505369 split increased to 2 itime 293892
itsplit 1
- acceleration/energy drift too large 1.96041354960641
- 13.2275501941364 split increased to 2 itime 299073
+ acceleration/energy drift too large 2.10024895500591
+ 15.0839684126750 split increased to 2 itime 299951
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 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= 124.101562500000 0.000000000000000E+000
- REMD writing rst time= 7.812500000000000E-003
- REMD writing traj time= 0.000000000000000E+000
+ REMD gather times= 106.812500000000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
+ REMD writing traj time= 7.812500000000000E-003
NREP 16
ACC 1 250.00000 0.16667 6
-ACC 2 260.00000 0.16667 6
-ACC 3 270.00000 0.66667 6
-ACC 4 280.00000 0.83333 6
-ACC 5 290.00000 0.83333 6
-ACC 6 300.00000 0.83333 6
-ACC 7 310.00000 0.66667 6
-ACC 8 320.00000 0.66667 6
-ACC 9 330.00000 0.66667 6
-ACC 10 340.00000 0.50000 6
-ACC 11 350.00000 1.00000 6
-ACC 12 360.00000 0.83333 6
-ACC 13 370.00000 0.83333 6
-ACC 14 380.00000 1.00000 6
-ACC 15 390.00000 1.00000 6
+ACC 2 260.00000 0.66667 6
+ACC 3 270.00000 0.16667 6
+ACC 4 280.00000 0.72727 11
REMD scatter time= 0.000000000000000E+000
REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 11.8835850656472
- 59.3605813372361 split increased to 2 itime 300687
+ acceleration/energy drift too large 6.49996232559160
+ 25.4805404481882 split increased to 2 itime 300131
itsplit 1
- acceleration/energy drift too large 3.03188083380591
- 20.0776219255604 split increased to 2 itime 302450
+ acceleration/energy drift too large 2.58006204880175
+ 15.8783624241283 split increased to 2 itime 301505
itsplit 1
- acceleration/energy drift too large 7.18724375516662
- 18.8235967892789 split increased to 2 itime 307116
+ acceleration/energy drift too large 4.21970039382783
+ 17.7665607199592 split increased to 2 itime 301794
itsplit 1
- acceleration/energy drift too large 5.23440751513935
- 15.5328261688308 split increased to 2 itime 307978
+ acceleration/energy drift too large 9.91588982907668
+ 43.5430754465092 split increased to 2 itime 304322
itsplit 1
- acceleration/energy drift too large 5.18891311133133
- 11.5486517135082 split increased to 2 itime 309048
+ acceleration/energy drift too large 10.4692840581279
+ 61.6454238861307 split increased to 2 itime 306415
itsplit 1
Velocities reset to random values, time 61999.80
- acceleration/energy drift too large 5.94596316829142
- 15.6697169716881 split increased to 2 itime 310771
- itsplit 1
- acceleration/energy drift too large 4.50128909677026
- 11.7188941428861 split increased to 2 itime 311184
- itsplit 1
- acceleration/energy drift too large 2.88727459001362
- 17.0613881289454 split increased to 2 itime 315121
+ acceleration/energy drift too large 5.26443143493143
+ 11.4144139693146 split increased to 2 itime 311248
itsplit 1
- acceleration/energy drift too large 5.99451845301504
- 14.7446320304424 split increased to 2 itime 316666
+ acceleration/energy drift too large 4.76036100696084
+ 20.7117609402572 split increased to 2 itime 311992
itsplit 1
- acceleration/energy drift too large 4.69555790040009
- 10.2635773873968 split increased to 2 itime 316770
+ acceleration/energy drift too large 3.16872410883438
+ 18.6281690348853 split increased to 2 itime 314584
itsplit 1
- acceleration/energy drift too large 5.61109984052246
- 23.5248838504998 split increased to 2 itime 317009
+ acceleration/energy drift too large 5.83530582996696
+ 22.5895132763382 split increased to 2 itime 314610
itsplit 1
- acceleration/energy drift too large 3.97626273882810
- 10.7050158097533 split increased to 2 itime 318451
+ acceleration/energy drift too large 6.17925344863328
+ 19.1739389932938 split increased to 2 itime 319114
itsplit 1
- acceleration/energy drift too large 3.93026888825868
- 14.4340790296369 split increased to 2 itime 319151
- itsplit 1
- acceleration/energy drift too large 3.76885090296648
- 18.0826927449576 split increased to 2 itime 319805
+ acceleration/energy drift too large 4.30612352097854
+ 10.2084841756287 split increased to 2 itime 319277
itsplit 1
Velocities reset to random values, time 63999.80
- acceleration/energy drift too large 4.08803942705843
- 11.8205873394884 split increased to 2 itime 322007
- itsplit 1
- acceleration/energy drift too large 3.92579781793047
- 15.7690873890693 split increased to 2 itime 323090
+ acceleration/energy drift too large 5.82909386848884
+ 18.1396752863141 split increased to 2 itime 323272
itsplit 1
- acceleration/energy drift too large 4.27265135737032
- 14.1668109960266 split increased to 2 itime 325937
+ acceleration/energy drift too large 4.99594290967216
+ 15.2612715869497 split increased to 2 itime 325276
itsplit 1
- acceleration/energy drift too large 5.43768307623320
- 23.9371557270110 split increased to 2 itime 328670
+ acceleration/energy drift too large 3.80274993500041
+ 11.2636525275173 split increased to 2 itime 325768
itsplit 1
- acceleration/energy drift too large 4.21832835656375
- 31.0777205779123 split increased to 2 itime 328707
- itsplit 1
- acceleration/energy drift too large 1.70192975547704
- 10.4776889889865 split increased to 2 itime 328842
+ acceleration/energy drift too large 8.65670454357624
+ 34.8542033024505 split increased to 2 itime 328800
itsplit 1
Velocities reset to random values, time 65999.80
- acceleration/energy drift too large 2.00267703933908
- 15.3628840282712 split increased to 2 itime 330736
- itsplit 1
- acceleration/energy drift too large 1.95149143561907
- 12.0354335193892 split increased to 2 itime 331015
- itsplit 1
- acceleration/energy drift too large 8.50880094431559
- 36.0291693574321 split increased to 2 itime 331576
- itsplit 1
- acceleration/energy drift too large 4.11280909622188
- 12.6777598090510 split increased to 2 itime 332833
- itsplit 1
- acceleration/energy drift too large 2.22760588862768
- 10.8649737769088 split increased to 2 itime 333353
- itsplit 1
- acceleration/energy drift too large 2.49037525269784
- 14.4140412569917 split increased to 2 itime 333954
+ acceleration/energy drift too large 12.3702744101952
+ 67.9440822598173 split increased to 2 itime 331001
itsplit 1
- acceleration/energy drift too large 9.35824594007578
- 38.9619479321842 split increased to 2 itime 334287
+ acceleration/energy drift too large 4.96885932975669
+ 27.3993910150084 split increased to 2 itime 333828
itsplit 1
- acceleration/energy drift too large 3.04840990182969
- 11.3509207152102 split increased to 2 itime 335521
+ acceleration/energy drift too large 6.73512206117244
+ 23.4156513612148 split increased to 2 itime 336672
itsplit 1
- acceleration/energy drift too large 3.61934285190469
- 25.7081689100085 split increased to 2 itime 336824
- itsplit 1
- acceleration/energy drift too large 5.95062799615278
- 17.9255368522967 split increased to 2 itime 339137
+ acceleration/energy drift too large 4.67410275651991
+ 14.1780830062519 split increased to 2 itime 337494
itsplit 1
Velocities reset to random values, time 67999.80
- acceleration/energy drift too large 3.45314811481441
- 10.0210100363967 split increased to 2 itime 341392
- itsplit 1
- acceleration/energy drift too large 1.58845073930669
- 10.6098090008530 split increased to 2 itime 341393
+ acceleration/energy drift too large 4.38341967987895
+ 12.3387664462395 split increased to 2 itime 341368
itsplit 1
- acceleration/energy drift too large 6.21668524740143
- 14.9376410344947 split increased to 2 itime 344017
+ acceleration/energy drift too large 4.95965441431178
+ 11.2019310790003 split increased to 2 itime 341910
itsplit 1
- acceleration/energy drift too large 10.3177225098124
- 50.2717257267007 split increased to 2 itime 345783
+ acceleration/energy drift too large 2.81631279124594
+ 19.6629560425064 split increased to 2 itime 342369
itsplit 1
- acceleration/energy drift too large 6.39059870300033
- 23.5681868470340 split increased to 2 itime 346085
+ acceleration/energy drift too large 5.30805689722811
+ 15.6354540228692 split increased to 2 itime 344075
itsplit 1
- acceleration/energy drift too large 9.20679280045481
- 37.6232587936596 split increased to 2 itime 347528
+ acceleration/energy drift too large 5.93163421689138
+ 24.1072961118975 split increased to 2 itime 345559
itsplit 1
- acceleration/energy drift too large 6.59503915040581
- 19.6680568385312 split increased to 2 itime 347864
+ acceleration/energy drift too large 6.67789576272149
+ 18.6167707770070 split increased to 2 itime 346672
itsplit 1
- acceleration/energy drift too large 2.65626970328201
- 10.9481060188250 split increased to 2 itime 347865
+ acceleration/energy drift too large 7.01407403587426
+ 16.3185714414258 split increased to 2 itime 346739
itsplit 1
- acceleration/energy drift too large 5.49042150473414
- 12.9021779746950 split increased to 2 itime 348025
+ acceleration/energy drift too large 4.90144927917411
+ 24.8732091506905 split increased to 2 itime 347823
itsplit 1
-Velocities reset to random values, time 69999.80
- acceleration/energy drift too large 5.97944405569452
- 20.1039031952161 split increased to 2 itime 351493
+ acceleration/energy drift too large 5.03381894235578
+ 19.6452821994381 split increased to 2 itime 349489
itsplit 1
- acceleration/energy drift too large 15.2963949499821
- 103.353946536942 split increased to 2 itime 352446
+ acceleration/energy drift too large 11.7242682304727
+ 63.0212313293702 split increased to 2 itime 349699
itsplit 1
- acceleration/energy drift too large 3.06470587628376
- 14.3345739538126 split increased to 2 itime 353215
+Velocities reset to random values, time 69999.80
+ acceleration/energy drift too large 5.09267080756254
+ 12.6311631096094 split increased to 2 itime 351743
itsplit 1
- acceleration/energy drift too large 5.57433151031143
- 38.2541405007332 split increased to 2 itime 353228
+ acceleration/energy drift too large 5.75520505765500
+ 19.8677370147375 split increased to 2 itime 351847
itsplit 1
- acceleration/energy drift too large 5.39193319947123
- 12.4747610144976 split increased to 2 itime 355975
+ acceleration/energy drift too large 6.67264568992455
+ 19.3641394827380 split increased to 2 itime 352607
itsplit 1
- acceleration/energy drift too large 6.18131488988839
- 12.9297812066157 split increased to 2 itime 356620
+ acceleration/energy drift too large 4.70543836290285
+ 15.5865450958695 split increased to 2 itime 356566
itsplit 1
- acceleration/energy drift too large 6.22923911003962
- 19.7207711455965 split increased to 2 itime 358243
+ acceleration/energy drift too large 2.76904349113884
+ 15.5059143758396 split increased to 2 itime 357504
itsplit 1
Velocities reset to random values, time 71999.80
- acceleration/energy drift too large 3.87235344064219
- 10.1210735436387 split increased to 2 itime 360556
- itsplit 1
- acceleration/energy drift too large 2.86176734731506
- 23.9901172813311 split increased to 2 itime 361159
- itsplit 1
- acceleration/energy drift too large 2.99764827998036
- 11.5689534933833 split increased to 2 itime 362896
- itsplit 1
- acceleration/energy drift too large 5.58999297362174
- 13.6066182154703 split increased to 2 itime 365252
- itsplit 1
- acceleration/energy drift too large 3.97199902684499
- 22.5436941512342 split increased to 2 itime 365611
- itsplit 1
- acceleration/energy drift too large 4.21567840004456
- 10.6009727213378 split increased to 2 itime 367534
+ acceleration/energy drift too large 7.15927735907959
+ 23.2172286203546 split increased to 2 itime 368736
itsplit 1
Velocities reset to random values, time 73999.80
- acceleration/energy drift too large 5.91942291413027
- 20.7471231299233 split increased to 2 itime 370129
- itsplit 1
- acceleration/energy drift too large 6.25563074698015
- 23.8579054180979 split increased to 2 itime 374181
+ acceleration/energy drift too large 7.11357282846481
+ 23.9751576451092 split increased to 2 itime 372296
itsplit 1
- acceleration/energy drift too large 3.84134767331433
- 12.1971843818663 split increased to 2 itime 374295
+ acceleration/energy drift too large 2.99372684187043
+ 17.8227875423887 split increased to 2 itime 373982
itsplit 1
- acceleration/energy drift too large 4.24090764754051
- 11.2489538446443 split increased to 2 itime 374597
+ acceleration/energy drift too large 5.01726181115793
+ 18.8320778666683 split increased to 2 itime 374959
itsplit 1
- acceleration/energy drift too large 5.48727927291931
- 33.2378616431118 split increased to 2 itime 375491
+ acceleration/energy drift too large 10.8331375174575
+ 54.7614933355484 split increased to 2 itime 375032
itsplit 1
- acceleration/energy drift too large 4.14974596991423
- 21.5975911906477 split increased to 2 itime 376451
+ acceleration/energy drift too large 3.29180885859479
+ 15.5657861488734 split increased to 2 itime 376099
itsplit 1
- acceleration/energy drift too large 5.59031435196680
- 10.2633124685847 split increased to 2 itime 377003
+ acceleration/energy drift too large 4.59393117629835
+ 25.0601642367421 split increased to 2 itime 376148
itsplit 1
- acceleration/energy drift too large 3.73198654291689
- 17.8973424463536 split increased to 2 itime 377712
+ acceleration/energy drift too large 2.23638715991377
+ 10.1257347974241 split increased to 2 itime 376149
itsplit 1
-Velocities reset to random values, time 75999.80
- acceleration/energy drift too large 10.2393218649492
- 59.1942278126544 split increased to 2 itime 380872
+ acceleration/energy drift too large 2.72289067936150
+ 11.0882209082805 split increased to 2 itime 376992
itsplit 1
- acceleration/energy drift too large 3.20515871787138
- 15.4418107051870 split increased to 2 itime 381099
+ acceleration/energy drift too large 9.71751733286233
+ 40.5344471258466 split increased to 2 itime 377745
itsplit 1
- acceleration/energy drift too large 8.87256116114153
- 39.4609076906812 split increased to 2 itime 381911
+Velocities reset to random values, time 75999.80
+ acceleration/energy drift too large 6.66208714851058
+ 15.8383538582103 split increased to 2 itime 382003
itsplit 1
- acceleration/energy drift too large 3.64874574606788
- 16.9939705715486 split increased to 2 itime 382370
+ acceleration/energy drift too large 2.94255366526444
+ 11.7408896378324 split increased to 2 itime 387881
itsplit 1
- acceleration/energy drift too large 6.79420380742341
- 29.8186737799615 split increased to 2 itime 382471
+ acceleration/energy drift too large 6.57082299145938
+ 26.2002495514376 split increased to 2 itime 387883
itsplit 1
- acceleration/energy drift too large 10.3675808868022
- 52.2640308590989 split increased to 2 itime 385042
+ acceleration/energy drift too large 6.41286248333091
+ 21.0533394584010 split increased to 2 itime 388315
itsplit 1
- acceleration/energy drift too large 5.48088579585186
- 10.0756626819146 split increased to 2 itime 385578
+ acceleration/energy drift too large 4.43574296880089
+ 11.5619235106307 split increased to 2 itime 388636
itsplit 1
- acceleration/energy drift too large 2.09137444106022
- 13.4934710508630 split increased to 2 itime 388224
+ acceleration/energy drift too large 8.94717810480495
+ 35.7816405596013 split increased to 2 itime 389244
itsplit 1
- acceleration/energy drift too large 8.44874727981708
- 31.8804504890599 split increased to 2 itime 389246
+ acceleration/energy drift too large 3.19731217535774
+ 12.3895544638850 split increased to 2 itime 389245
itsplit 1
Velocities reset to random values, time 77999.80
- acceleration/energy drift too large 5.23778880725004
- 21.7315411929465 split increased to 2 itime 390309
- itsplit 1
- acceleration/energy drift too large 5.31767249130026
- 11.6382724895183 split increased to 2 itime 393673
- itsplit 1
- acceleration/energy drift too large 4.35515625559030
- 13.2041317374769 split increased to 2 itime 393899
- itsplit 1
- acceleration/energy drift too large 3.00916457256979
- 19.9929199155991 split increased to 2 itime 395128
- itsplit 1
- acceleration/energy drift too large 7.18287904236072
- 17.2442328139823 split increased to 2 itime 395629
+ acceleration/energy drift too large 6.67884029721190
+ 23.6700301964307 split increased to 2 itime 390343
itsplit 1
- acceleration/energy drift too large 4.95402334956287
- 10.5139037712410 split increased to 2 itime 396033
+ acceleration/energy drift too large 5.80187243579720
+ 20.1981262201935 split increased to 2 itime 393655
itsplit 1
- acceleration/energy drift too large 8.65499609457530
- 27.8476204575101 split increased to 2 itime 396532
+ acceleration/energy drift too large 6.12152284092122
+ 22.0941501063336 split increased to 2 itime 393734
itsplit 1
- acceleration/energy drift too large 6.36182556517703
- 21.8885867397166 split increased to 2 itime 396890
+ acceleration/energy drift too large 3.42770997438472
+ 25.3781643568897 split increased to 2 itime 394638
itsplit 1
- acceleration/energy drift too large 2.86024237243479
- 15.7876634364277 split increased to 4 itime 396890
+ acceleration/energy drift too large 1.30367113074551
+ 10.3210786960360 split increased to 2 itime 397840
itsplit 1
- acceleration/energy drift too large 5.13634510980324
- 18.5477778744243 split increased to 2 itime 397527
+ acceleration/energy drift too large 7.59151736257134
+ 26.6280567997637 split increased to 2 itime 398974
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 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= 165.867187500000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
- REMD writing traj time= 3.906250000000000E-003
+ REMD gather times= 142.480468750000 0.000000000000000E+000
+ REMD writing rst time= 7.812500000000000E-003
+ REMD writing traj time= 0.000000000000000E+000
NREP 16
-ACC 1 250.00000 0.25000 8
-ACC 2 260.00000 0.25000 8
-ACC 3 270.00000 0.62500 8
-ACC 4 280.00000 0.75000 8
-ACC 5 290.00000 0.75000 8
-ACC 6 300.00000 0.87500 8
-ACC 7 310.00000 0.62500 8
-ACC 8 320.00000 0.62500 8
-ACC 9 330.00000 0.75000 8
-ACC 10 340.00000 0.62500 8
-ACC 11 350.00000 0.87500 8
-ACC 12 360.00000 0.75000 8
-ACC 13 370.00000 0.62500 8
-ACC 14 380.00000 1.00000 8
-ACC 15 390.00000 0.87500 8
+ACC 1 250.00000 0.37500 8
+ACC 2 260.00000 0.50000 8
+ACC 3 270.00000 0.12500 8
+ACC 4 280.00000 0.75000 16
REMD scatter time= 0.000000000000000E+000
REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 4.08131104433865
- 28.1214069943210 split increased to 2 itime 400520
+ acceleration/energy drift too large 5.32493170788472
+ 29.0273560614869 split increased to 2 itime 400525
itsplit 1
- acceleration/energy drift too large 2.68546289740008
- 19.2504803511104 split increased to 2 itime 401559
+ acceleration/energy drift too large 4.46714535146728
+ 12.0739543456654 split increased to 2 itime 400675
itsplit 1
- acceleration/energy drift too large 3.65092498874972
- 12.7372514704889 split increased to 2 itime 402250
+ acceleration/energy drift too large 2.83861688858299
+ 16.9042719057586 split increased to 2 itime 401880
itsplit 1
- acceleration/energy drift too large 3.69529495445388
- 10.5592900051384 split increased to 2 itime 402558
+ acceleration/energy drift too large 2.72783328127732
+ 18.4961231729049 split increased to 2 itime 402689
itsplit 1
- acceleration/energy drift too large 8.58321631406168
- 35.5301679067614 split increased to 2 itime 403454
+ acceleration/energy drift too large 2.87792931319310
+ 12.5384142559374 split increased to 2 itime 402996
itsplit 1
- acceleration/energy drift too large 5.89506313455245
- 22.5097543780549 split increased to 2 itime 404329
+ acceleration/energy drift too large 10.2045431477155
+ 44.1786058470144 split increased to 2 itime 403949
itsplit 1
- acceleration/energy drift too large 2.42166556921768
- 10.2095056219588 split increased to 2 itime 405408
+ acceleration/energy drift too large 5.12755122441736
+ 28.3412063709133 split increased to 2 itime 404230
itsplit 1
- acceleration/energy drift too large 5.82335807818702
- 10.8549644336888 split increased to 2 itime 406497
+ acceleration/energy drift too large 4.93539820867640
+ 14.8646700631729 split increased to 2 itime 404745
itsplit 1
- acceleration/energy drift too large 6.09315136008160
- 16.0551397541081 split increased to 2 itime 406736
+ acceleration/energy drift too large 2.26380006107873
+ 11.4113934103430 split increased to 2 itime 406020
itsplit 1
- acceleration/energy drift too large 6.10829318400511
- 30.0463360999633 split increased to 2 itime 407121
+ acceleration/energy drift too large 2.03481141539749
+ 12.5825513081388 split increased to 2 itime 407983
itsplit 1
- acceleration/energy drift too large 6.79774409551392
- 26.7507801989400 split increased to 2 itime 409603
- itsplit 1
- acceleration/energy drift too large 4.63909560024811
- 11.1537360813933 split increased to 2 itime 409648
+ acceleration/energy drift too large 3.45294110899470
+ 18.8113934159324 split increased to 2 itime 408029
itsplit 1
Velocities reset to random values, time 81999.80
- acceleration/energy drift too large 3.44189022432154
- 21.7710428922571 split increased to 2 itime 413946
- itsplit 1
- acceleration/energy drift too large 5.10165621132056
- 12.5489215229761 split increased to 2 itime 413975
- itsplit 1
- acceleration/energy drift too large 3.68775356786942
- 15.0518447274982 split increased to 2 itime 413976
- itsplit 1
- acceleration/energy drift too large 5.73712258860992
- 28.4695493296148 split increased to 2 itime 414140
+ acceleration/energy drift too large 2.67253406127380
+ 24.0210422458926 split increased to 2 itime 413810
itsplit 1
- acceleration/energy drift too large 5.57709538150628
- 11.9589836077116 split increased to 2 itime 414583
+ acceleration/energy drift too large 10.2153655598504
+ 40.2354588978436 split increased to 2 itime 414933
itsplit 1
- acceleration/energy drift too large 2.39252674362135
- 17.6382499065707 split increased to 2 itime 416651
+ acceleration/energy drift too large 2.90457257441889
+ 17.0862959784272 split increased to 2 itime 415957
itsplit 1
- acceleration/energy drift too large 4.63784037850490
- 16.1308152674910 split increased to 2 itime 416711
+ acceleration/energy drift too large 3.50552082213194
+ 13.1964980853214 split increased to 2 itime 416727
itsplit 1
- acceleration/energy drift too large 2.66129801062715
- 10.0309315599572 split increased to 2 itime 419592
- itsplit 1
- acceleration/energy drift too large 2.77020354478237
- 10.2650644471345 split increased to 2 itime 419919
+ acceleration/energy drift too large 9.09933566753670
+ 38.5786861541891 split increased to 2 itime 417681
itsplit 1
Velocities reset to random values, time 83999.80
- acceleration/energy drift too large 2.97696674649760
- 17.7250677071281 split increased to 2 itime 421250
- itsplit 1
- acceleration/energy drift too large 2.96875111277707
- 17.2227980858951 split increased to 2 itime 422059
- itsplit 1
- acceleration/energy drift too large 4.68122032429797
- 26.9812980480402 split increased to 2 itime 423154
- itsplit 1
- acceleration/energy drift too large 2.26424666114932
- 13.0007141827916 split increased to 2 itime 424789
+ acceleration/energy drift too large 2.52569745759244
+ 12.2162956891196 split increased to 2 itime 421928
itsplit 1
- acceleration/energy drift too large 4.67513722974459
- 12.0557143057046 split increased to 2 itime 425202
+ acceleration/energy drift too large 5.97599437511640
+ 21.6916512321359 split increased to 2 itime 422780
itsplit 1
- acceleration/energy drift too large 2.71592608059469
- 12.2888955798954 split increased to 2 itime 427298
+ acceleration/energy drift too large 2.93863228809361
+ 16.8537947732041 split increased to 2 itime 422941
itsplit 1
- acceleration/energy drift too large 10.1089063652153
- 46.1714055530536 split increased to 2 itime 427584
+ acceleration/energy drift too large 2.93453683405904
+ 15.3323143382362 split increased to 2 itime 423131
itsplit 1
- acceleration/energy drift too large 5.14945938779930
- 20.2003085866792 split increased to 2 itime 429063
+ acceleration/energy drift too large 2.31931728762659
+ 12.5637825433506 split increased to 2 itime 423187
itsplit 1
-Velocities reset to random values, time 85999.80
- acceleration/energy drift too large 2.89783185551242
- 23.2076019551570 split increased to 2 itime 431683
- itsplit 1
- acceleration/energy drift too large 5.65681766975093
- 20.2744130535160 split increased to 2 itime 432934
+ acceleration/energy drift too large 4.10046716656242
+ 12.5943568909533 split increased to 2 itime 425255
itsplit 1
- acceleration/energy drift too large 4.42669842749397
- 11.0745023704507 split increased to 2 itime 433314
+ acceleration/energy drift too large 2.42342886407603
+ 12.7312638629128 split increased to 2 itime 425865
itsplit 1
- acceleration/energy drift too large 2.64300034012740
- 19.7197273095589 split increased to 2 itime 433909
+ acceleration/energy drift too large 6.87487825345447
+ 19.6560086206610 split increased to 2 itime 426401
itsplit 1
- acceleration/energy drift too large 5.27669373346948
- 17.2535025548032 split increased to 2 itime 434027
+ acceleration/energy drift too large 7.58162641443428
+ 28.3890728282636 split increased to 2 itime 427856
itsplit 1
- acceleration/energy drift too large 4.19082813980399
- 11.3353741850572 split increased to 2 itime 434266
- itsplit 1
- acceleration/energy drift too large 3.83123080852383
- 22.5494514024701 split increased to 2 itime 434268
+Velocities reset to random values, time 85999.80
+ acceleration/energy drift too large 5.23436279590845
+ 13.2659959282567 split increased to 2 itime 430146
itsplit 1
- acceleration/energy drift too large 13.3843247843890
- 97.0198699757399 split increased to 2 itime 437216
+ acceleration/energy drift too large 2.57092937493091
+ 16.9506897266982 split increased to 2 itime 430248
itsplit 1
- acceleration/energy drift too large 3.21453272257655
- 24.0262884531644 split increased to 2 itime 437643
+ acceleration/energy drift too large 6.85989085558364
+ 21.9655316769294 split increased to 2 itime 434731
itsplit 1
- acceleration/energy drift too large 5.58309206386641
- 34.8731192386739 split increased to 2 itime 437865
+ acceleration/energy drift too large 3.35864697559107
+ 24.3445385247188 split increased to 2 itime 436206
itsplit 1
- acceleration/energy drift too large 4.08927457417570
- 18.8614037483303 split increased to 2 itime 439344
+ acceleration/energy drift too large 2.93649920762540
+ 14.9837967030107 split increased to 2 itime 438271
itsplit 1
Velocities reset to random values, time 87999.80
- acceleration/energy drift too large 2.84092081062721
- 18.2818596292938 split increased to 2 itime 440902
+ acceleration/energy drift too large 11.9839476543948
+ 45.5988815114562 split increased to 2 itime 443145
itsplit 1
- acceleration/energy drift too large 7.61378505729166
- 27.9273058029887 split increased to 2 itime 441207
+ acceleration/energy drift too large 4.75610599949915
+ 10.2239474142417 split increased to 2 itime 443458
itsplit 1
- acceleration/energy drift too large 6.71741245272129
- 18.3666169032081 split increased to 2 itime 441498
+ acceleration/energy drift too large 6.91685859740854
+ 25.5013553977978 split increased to 2 itime 444651
itsplit 1
- acceleration/energy drift too large 2.09797310899579
- 15.8538736910526 split increased to 2 itime 441964
+ acceleration/energy drift too large 4.40182820866005
+ 11.4282118050382 split increased to 2 itime 444709
itsplit 1
- acceleration/energy drift too large 4.79259265862290
- 23.8624282961871 split increased to 2 itime 443290
+ acceleration/energy drift too large 4.89313263112850
+ 24.3588451086808 split increased to 2 itime 445068
itsplit 1
- acceleration/energy drift too large 9.61283488733788
- 42.2861471824891 split increased to 2 itime 446254
+ acceleration/energy drift too large 2.10285917866903
+ 10.6266819576768 split increased to 2 itime 445981
itsplit 1
- acceleration/energy drift too large 5.80010767319744
- 11.6594933889414 split increased to 2 itime 446677
+ acceleration/energy drift too large 2.03275188080230
+ 12.3292723321576 split increased to 2 itime 446997
itsplit 1
- acceleration/energy drift too large 5.54363461747517
- 11.3470711278185 split increased to 2 itime 447740
+ acceleration/energy drift too large 3.58241644230275
+ 14.1628557835081 split increased to 2 itime 447329
itsplit 1
-Velocities reset to random values, time 89999.80
- acceleration/energy drift too large 2.19411944625419
- 10.5867598635033 split increased to 2 itime 453246
- itsplit 1
- acceleration/energy drift too large 5.24153589803471
- 13.1606676254627 split increased to 2 itime 453846
- itsplit 1
- acceleration/energy drift too large 3.53813905744832
- 19.2476536725415 split increased to 2 itime 454556
- itsplit 1
- acceleration/energy drift too large 3.48911372254137
- 21.6847586376759 split increased to 2 itime 454927
+ acceleration/energy drift too large 7.53431730217662
+ 27.6606453385028 split increased to 2 itime 447544
itsplit 1
- acceleration/energy drift too large 10.4056972241836
- 57.9255616918442 split increased to 2 itime 455339
+ acceleration/energy drift too large 5.01202671082395
+ 12.7748084773939 split increased to 2 itime 449720
itsplit 1
- acceleration/energy drift too large 5.90589318946003
- 15.6300978326363 split increased to 2 itime 456330
+Velocities reset to random values, time 89999.80
+ acceleration/energy drift too large 9.11980813756612
+ 40.1106668707255 split increased to 2 itime 457136
itsplit 1
- acceleration/energy drift too large 4.45985492448762
- 11.9203321288071 split increased to 2 itime 456530
+ acceleration/energy drift too large 4.15511697559627
+ 11.2763140537899 split increased to 2 itime 457997
itsplit 1
- acceleration/energy drift too large 4.26928155884929
- 12.0138039899545 split increased to 2 itime 456841
+ acceleration/energy drift too large 5.44256048797883
+ 10.3897340637927 split increased to 2 itime 459519
itsplit 1
- acceleration/energy drift too large 4.68747752629654
- 16.6195962770648 split increased to 2 itime 458999
+Velocities reset to random values, time 91999.80
+ acceleration/energy drift too large 5.86532861379937
+ 21.5017840644272 split increased to 2 itime 461736
itsplit 1
- acceleration/energy drift too large 5.28483581931999
- 20.3142444413269 split increased to 2 itime 459546
+ acceleration/energy drift too large 11.5841062442136
+ 67.8849373198122 split increased to 2 itime 463081
itsplit 1
- acceleration/energy drift too large 6.21508537208734
- 40.3172032563645 split increased to 2 itime 459736
+ acceleration/energy drift too large 8.60093452310442
+ 27.6138425515302 split increased to 2 itime 467825
itsplit 1
-Velocities reset to random values, time 91999.80
- acceleration/energy drift too large 2.04425009165896
- 15.4407702813567 split increased to 2 itime 460271
+ acceleration/energy drift too large 3.83122319363030
+ 12.5094109597700 split increased to 2 itime 468373
itsplit 1
- acceleration/energy drift too large 8.72646906074623
- 31.0150046007286 split increased to 2 itime 462796
+ acceleration/energy drift too large 4.10344973966051
+ 25.1696738097453 split increased to 2 itime 468981
itsplit 1
- acceleration/energy drift too large 3.76270007579637
- 13.7473479513912 split increased to 2 itime 465030
+ acceleration/energy drift too large 6.28292584349362
+ 19.4935601087376 split increased to 2 itime 469650
itsplit 1
- acceleration/energy drift too large 5.81215140118286
- 16.9247933799676 split increased to 2 itime 465151
+Velocities reset to random values, time 93999.80
+ acceleration/energy drift too large 4.77455905647420
+ 15.3055689234106 split increased to 2 itime 470340
itsplit 1
- acceleration/energy drift too large 2.16165827062120
- 11.8896945460193 split increased to 2 itime 466342
+ acceleration/energy drift too large 10.0559569690840
+ 44.2380164314920 split increased to 2 itime 470858
itsplit 1
- acceleration/energy drift too large 2.44206101459086
- 13.9903850053909 split increased to 2 itime 466870
+ acceleration/energy drift too large 2.72860411809443
+ 10.9077396171635 split increased to 2 itime 470859
itsplit 1
- acceleration/energy drift too large 4.02120415915202
- 21.6859134970394 split increased to 2 itime 467898
+ acceleration/energy drift too large 5.88070012312465
+ 20.3823667897915 split increased to 2 itime 470901
itsplit 1
- acceleration/energy drift too large 3.87168348522190
- 16.4798814083216 split increased to 2 itime 467943
+ acceleration/energy drift too large 4.90262160587327
+ 29.4009004277612 split increased to 2 itime 472409
itsplit 1
- acceleration/energy drift too large 3.01339281786167
- 10.6156224334280 split increased to 2 itime 468434
+ acceleration/energy drift too large 7.90320804156566
+ 29.5495966188750 split increased to 2 itime 475468
itsplit 1
- acceleration/energy drift too large 4.94584161337681
- 12.7515244987281 split increased to 2 itime 468441
+Velocities reset to random values, time 95999.80
+ acceleration/energy drift too large 2.06711437896088
+ 11.4512419344409 split increased to 2 itime 481452
itsplit 1
- acceleration/energy drift too large 9.37809517237604
- 33.0826214426526 split increased to 2 itime 468589
+ acceleration/energy drift too large 3.79051786105195
+ 10.9275676106106 split increased to 2 itime 481501
itsplit 1
- acceleration/energy drift too large 3.01413489471433
- 24.9640039243721 split increased to 2 itime 469009
+ acceleration/energy drift too large 3.37891418350268
+ 11.9266618198760 split increased to 2 itime 482212
itsplit 1
-Velocities reset to random values, time 93999.80
- acceleration/energy drift too large 10.3896166341715
- 53.8415749834004 split increased to 2 itime 471685
+ acceleration/energy drift too large 4.82979694178335
+ 10.7125498060470 split increased to 2 itime 482618
itsplit 1
- acceleration/energy drift too large 4.45448289851289
- 10.8729787504265 split increased to 2 itime 471820
+ acceleration/energy drift too large 3.41589362275692
+ 14.5025730813520 split increased to 2 itime 484880
itsplit 1
- acceleration/energy drift too large 2.25622477190417
- 15.5567641243196 split increased to 2 itime 472338
+Velocities reset to random values, time 97999.80
+ acceleration/energy drift too large 9.85024167101188
+ 47.1476124144211 split increased to 2 itime 493106
itsplit 1
- acceleration/energy drift too large 6.92195296793394
- 23.5797596205209 split increased to 2 itime 472831
+ acceleration/energy drift too large 3.42819885516005
+ 30.4138720725235 split increased to 2 itime 498140
itsplit 1
- acceleration/energy drift too large 5.59436721052518
- 17.6959900514576 split increased to 2 itime 472991
+ acceleration/energy drift too large 5.37336121855919
+ 12.1381874767450 split increased to 2 itime 498593
itsplit 1
- acceleration/energy drift too large 2.78698486538341
- 12.7112384526543 split increased to 2 itime 475631
+ acceleration/energy drift too large 8.35391326976259
+ 26.9161430000085 split increased to 2 itime 498722
itsplit 1
- acceleration/energy drift too large 5.57423946814562
- 14.2960297707255 split increased to 2 itime 475870
+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= 178.164062500000 0.000000000000000E+000
+ REMD writing rst time= 3.906250000000000E-003
+ REMD writing traj time= 0.000000000000000E+000
+ NREP 16
+ACC 1 250.00000 0.30000 10
+ACC 2 260.00000 0.40000 10
+ACC 3 270.00000 0.10000 10
+ACC 4 280.00000 0.79167 24
+ REMD scatter time= 0.000000000000000E+000
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 6.13650507562149
+ 21.7613101487031 split increased to 2 itime 502474
itsplit 1
- acceleration/energy drift too large 4.72454624800943
- 10.3231887148999 split increased to 2 itime 479609
+ acceleration/energy drift too large 3.41254129436965
+ 13.7786724631385 split increased to 2 itime 505274
itsplit 1
- acceleration/energy drift too large 7.16693288846281
- 23.4992816951361 split increased to 2 itime 479896
+Velocities reset to random values, time 101999.80
+ acceleration/energy drift too large 10.2550715509833
+ 51.8026501815320 split increased to 2 itime 511823
itsplit 1
-Velocities reset to random values, time 95999.80
- acceleration/energy drift too large 9.58994641667122
- 40.7844280188477 split increased to 2 itime 480049
+ acceleration/energy drift too large 10.4300195773746
+ 45.4167559931097 split increased to 2 itime 513861
itsplit 1
- acceleration/energy drift too large 2.06188903875319
- 12.2895571958580 split increased to 2 itime 480050
+ acceleration/energy drift too large 3.91348312636596
+ 24.8358250138375 split increased to 4 itime 513861
itsplit 1
- acceleration/energy drift too large 7.49742729929865
- 25.9150998948367 split increased to 2 itime 480670
+ acceleration/energy drift too large 5.64311570312450
+ 15.0131455123082 split increased to 2 itime 514297
itsplit 1
- acceleration/energy drift too large 4.39415164043224
- 14.1851658298882 split increased to 2 itime 480921
+ acceleration/energy drift too large 1.42268073126194
+ 13.7426344402459 split increased to 2 itime 514406
itsplit 1
- acceleration/energy drift too large 3.92127864719573
- 10.5919582119646 split increased to 2 itime 481710
+ acceleration/energy drift too large 5.91366708149794
+ 13.3470197340095 split increased to 2 itime 514506
itsplit 1
- acceleration/energy drift too large 5.37594934608175
- 10.4078903723203 split increased to 2 itime 484531
+ acceleration/energy drift too large 8.89187799160198
+ 28.6465325002970 split increased to 2 itime 514678
itsplit 1
- acceleration/energy drift too large 2.69899722065388
- 12.4817540714063 split increased to 2 itime 485014
+ acceleration/energy drift too large 2.57052796504428
+ 13.3005239189833 split increased to 4 itime 514678
itsplit 1
- acceleration/energy drift too large 3.23076363681653
- 14.4085071140903 split increased to 2 itime 485430
+ acceleration/energy drift too large 4.35848451439378
+ 11.4731453503445 split increased to 2 itime 516020
itsplit 1
- acceleration/energy drift too large 3.59014128046676
- 10.4310076618583 split increased to 2 itime 485633
+ acceleration/energy drift too large 3.50507996194288
+ 12.0351373786745 split increased to 2 itime 516909
itsplit 1
- acceleration/energy drift too large 9.52306636646957
- 45.1706982129731 split increased to 2 itime 485752
+ acceleration/energy drift too large 4.48797751992146
+ 24.6332833515170 split increased to 2 itime 517113
itsplit 1
- acceleration/energy drift too large 4.32984886380681
- 21.5592146709994 split increased to 2 itime 486544
+ acceleration/energy drift too large 3.72529623839987
+ 10.5462745109289 split increased to 2 itime 517488
itsplit 1
-Velocities reset to random values, time 97999.80
- acceleration/energy drift too large 6.99897096133961
- 22.3465353698062 split increased to 2 itime 490836
+ acceleration/energy drift too large 3.37235072508537
+ 11.4515723456415 split increased to 2 itime 517575
itsplit 1
- acceleration/energy drift too large 6.08294740363342
- 23.8878793681183 split increased to 2 itime 494465
+Velocities reset to random values, time 103999.80
+ acceleration/energy drift too large 5.57216516981162
+ 31.7556654926238 split increased to 2 itime 521577
itsplit 1
- acceleration/energy drift too large 5.40740415215286
- 22.0534182303298 split increased to 2 itime 495178
+ acceleration/energy drift too large 3.78213921917849
+ 16.0139356873618 split increased to 2 itime 521693
itsplit 1
- acceleration/energy drift too large 6.51972053879967
- 13.4453918384358 split increased to 2 itime 498272
+ acceleration/energy drift too large 6.79103354346967
+ 10.9484625608204 split increased to 2 itime 521736
itsplit 1
- acceleration/energy drift too large 1.93706319042993
- 10.3690093699879 split increased to 2 itime 498903
+ acceleration/energy drift too large 9.13908059108645
+ 34.8535046616486 split increased to 2 itime 524292
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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
- MIN ii_write= 1
- REMD gather times= 206.769531250000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
- REMD writing traj time= 3.906250000000000E-003
- NREP 16
-ACC 1 250.00000 0.30000 10
-ACC 2 260.00000 0.20000 10
-ACC 3 270.00000 0.60000 10
-ACC 4 280.00000 0.80000 10
-ACC 5 290.00000 0.70000 10
-ACC 6 300.00000 0.90000 10
-ACC 7 310.00000 0.60000 10
-ACC 8 320.00000 0.50000 10
-ACC 9 330.00000 0.80000 10
-ACC 10 340.00000 0.70000 10
-ACC 11 350.00000 0.80000 10
-ACC 12 360.00000 0.80000 10
-ACC 13 370.00000 0.60000 10
-ACC 14 380.00000 1.00000 10
-ACC 15 390.00000 0.90000 10
- REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 2.73779437149400
- 13.7042452529319 split increased to 2 itime 502437
+ acceleration/energy drift too large 6.87972100488863
+ 19.0796552139991 split increased to 2 itime 524621
itsplit 1
- acceleration/energy drift too large 8.92676375386783
- 34.3730580914860 split increased to 2 itime 505769
+ acceleration/energy drift too large 7.13395894349088
+ 19.2147820884866 split increased to 2 itime 525776
itsplit 1
- acceleration/energy drift too large 3.17870217561276
- 13.2574384589638 split increased to 2 itime 506721
+ acceleration/energy drift too large 4.25521386666944
+ 11.0712111276330 split increased to 2 itime 526217
itsplit 1
- acceleration/energy drift too large 5.45352126749485
- 11.1034727871275 split increased to 2 itime 507313
+Velocities reset to random values, time 105999.80
+ acceleration/energy drift too large 5.70056831351558
+ 14.2155200455811 split increased to 2 itime 531892
itsplit 1
- acceleration/energy drift too large 4.77983446875819
- 16.4391412026538 split increased to 2 itime 507612
+ acceleration/energy drift too large 4.96324960977166
+ 19.2271794245826 split increased to 2 itime 533706
itsplit 1
- acceleration/energy drift too large 5.22337562803196
- 15.4898404810955 split increased to 2 itime 509048
+ acceleration/energy drift too large 4.44930692359676
+ 10.0207095389912 split increased to 2 itime 533994
itsplit 1
- acceleration/energy drift too large 5.73452479788637
- 13.9017423021263 split increased to 2 itime 509216
+ acceleration/energy drift too large 12.5729967050467
+ 74.0549996172125 split increased to 2 itime 538959
itsplit 1
- acceleration/energy drift too large 3.01895127368496
- 10.7312036900092 split increased to 2 itime 509794
+Velocities reset to random values, time 107999.80
+ acceleration/energy drift too large 2.67982397950877
+ 13.5410873862349 split increased to 2 itime 540436
itsplit 1
-Velocities reset to random values, time 101999.80
- acceleration/energy drift too large 4.24098171167066
- 13.8707299083046 split increased to 2 itime 510270
+ acceleration/energy drift too large 4.45346156053157
+ 11.0152357347393 split increased to 2 itime 541858
itsplit 1
- acceleration/energy drift too large 3.58514130334633
- 13.5889827814111 split increased to 2 itime 510532
+ acceleration/energy drift too large 6.15461266807888
+ 25.5648716546203 split increased to 2 itime 544403
itsplit 1
- acceleration/energy drift too large 4.61878397799056
- 24.8229884465746 split increased to 2 itime 511343
+ acceleration/energy drift too large 4.67329952007614
+ 18.7675843450349 split increased to 2 itime 545293
itsplit 1
- acceleration/energy drift too large 13.2303902550074
- 81.6156018691102 split increased to 2 itime 511988
+ acceleration/energy drift too large 6.09508000329448
+ 11.4371657718246 split increased to 2 itime 545721
itsplit 1
- acceleration/energy drift too large 3.94365997870155
- 13.7675694047874 split increased to 2 itime 512122
+ acceleration/energy drift too large 4.89598254926829
+ 15.7158116129413 split increased to 2 itime 546908
itsplit 1
- acceleration/energy drift too large 10.5156904941394
- 33.4604926752452 split increased to 2 itime 512664
+ acceleration/energy drift too large 6.65521607753979
+ 29.6040425398555 split increased to 2 itime 547856
itsplit 1
- acceleration/energy drift too large 6.18409968291872
- 17.1960113597582 split increased to 2 itime 513527
+ acceleration/energy drift too large 2.88047482560459
+ 11.8288673762495 split increased to 2 itime 548084
itsplit 1
- acceleration/energy drift too large 2.68090931151968
- 11.2637218207440 split increased to 2 itime 515123
+Velocities reset to random values, time 109999.80
+ acceleration/energy drift too large 4.54724327519890
+ 10.7228710057252 split increased to 2 itime 551092
itsplit 1
- acceleration/energy drift too large 4.80604846241625
- 14.0350195957669 split increased to 2 itime 515611
+ acceleration/energy drift too large 3.35500166435063
+ 29.4102209520937 split increased to 2 itime 551279
itsplit 1
- acceleration/energy drift too large 4.66509978160827
- 15.8018652207700 split increased to 2 itime 516366
+ acceleration/energy drift too large 13.7047946558257
+ 72.4703531295341 split increased to 2 itime 551722
itsplit 1
- acceleration/energy drift too large 4.59552571661929
- 14.8933253791265 split increased to 2 itime 517839
+ acceleration/energy drift too large 2.92703728261359
+ 13.8839061114102 split increased to 4 itime 551722
+ itsplit 2
+ acceleration/energy drift too large 10.3979824683532
+ 52.6634517758608 split increased to 2 itime 551950
itsplit 1
- acceleration/energy drift too large 8.09975270056622
- 30.9755867545556 split increased to 2 itime 518672
+ acceleration/energy drift too large 12.4870909637965
+ 64.9501480684714 split increased to 2 itime 555414
itsplit 1
- acceleration/energy drift too large 10.3978015559707
- 52.4503095829216 split increased to 2 itime 519283
+ acceleration/energy drift too large 7.08737472491506
+ 23.8147139214870 split increased to 2 itime 555524
itsplit 1
- acceleration/energy drift too large 7.09341611400089
- 16.0403702332936 split increased to 2 itime 519923
+ acceleration/energy drift too large 10.8573908944145
+ 57.8048434184198 split increased to 2 itime 555854
itsplit 1
-Velocities reset to random values, time 103999.80
- acceleration/energy drift too large 2.39647937906399
- 14.8000252997061 split increased to 2 itime 520034
+ acceleration/energy drift too large 6.35280827471664
+ 18.4437481779184 split increased to 2 itime 556668
itsplit 1
- acceleration/energy drift too large 4.13324535479762
- 12.4242500132600 split increased to 2 itime 520238
+Velocities reset to random values, time 111999.80
+ acceleration/energy drift too large 6.28339125295257
+ 17.4493982665097 split increased to 2 itime 560320
itsplit 1
- acceleration/energy drift too large 4.29368500932871
- 17.9139191035096 split increased to 2 itime 521292
+ acceleration/energy drift too large 2.45579031049088
+ 14.0841964901882 split increased to 2 itime 563730
itsplit 1
- acceleration/energy drift too large 3.40288322546732
- 11.1699337249036 split increased to 2 itime 521941
+ acceleration/energy drift too large 2.20984758353291
+ 13.0048779452826 split increased to 2 itime 565061
itsplit 1
- acceleration/energy drift too large 5.86127208064540
- 21.5475122168981 split increased to 2 itime 523007
+Velocities reset to random values, time 113999.80
+ acceleration/energy drift too large 5.34740854603147
+ 11.9951127058679 split increased to 2 itime 570004
itsplit 1
- acceleration/energy drift too large 6.48003821181801
- 12.4616890128783 split increased to 2 itime 523235
+ acceleration/energy drift too large 4.94751727518024
+ 25.1760577346454 split increased to 2 itime 571088
itsplit 1
- acceleration/energy drift too large 4.26770150397311
- 10.4731894279542 split increased to 2 itime 523372
+ acceleration/energy drift too large 5.65163082323002
+ 15.0758320824058 split increased to 2 itime 577853
itsplit 1
- acceleration/energy drift too large 3.57543545320117
- 11.0745750833288 split increased to 2 itime 524193
+ acceleration/energy drift too large 7.10903040873281
+ 26.0403507057773 split increased to 2 itime 578085
itsplit 1
- acceleration/energy drift too large 2.15091910476234
- 11.1362747835414 split increased to 2 itime 524270
+ acceleration/energy drift too large 8.61079031440322
+ 54.8866240140092 split increased to 2 itime 579840
itsplit 1
- acceleration/energy drift too large 2.92315785523942
- 15.4141166957378 split increased to 2 itime 525376
+Velocities reset to random values, time 115999.80
+ acceleration/energy drift too large 2.64866117688739
+ 11.2785828070202 split increased to 2 itime 580953
itsplit 1
- acceleration/energy drift too large 2.86526795238280
- 10.9832820574567 split increased to 2 itime 525708
+ acceleration/energy drift too large 3.95911427761635
+ 10.5741485920854 split increased to 2 itime 581162
itsplit 1
- acceleration/energy drift too large 4.27820140216715
- 22.1539414461780 split increased to 2 itime 525709
+ acceleration/energy drift too large 3.63831327260785
+ 10.5328693565908 split increased to 2 itime 583110
itsplit 1
- acceleration/energy drift too large 0.973987471568014
- 10.2739248935335 split increased to 2 itime 525741
+ acceleration/energy drift too large 10.1414458548409
+ 49.7139244736561 split increased to 2 itime 583431
itsplit 1
- acceleration/energy drift too large 3.47307217571836
- 10.1972649570678 split increased to 2 itime 525752
+ acceleration/energy drift too large 3.85606487816132
+ 10.0930682381403 split increased to 2 itime 584213
itsplit 1
- acceleration/energy drift too large 3.02448643736156
- 13.8157094429412 split increased to 2 itime 525915
+ acceleration/energy drift too large 3.78569234652247
+ 20.2575336451594 split increased to 2 itime 584714
itsplit 1
- acceleration/energy drift too large 2.77223477219073
- 21.0148696987104 split increased to 2 itime 525916
+ acceleration/energy drift too large 6.08980862046736
+ 14.1004077746522 split increased to 2 itime 586627
itsplit 1
- acceleration/energy drift too large 6.02273308155385
- 13.0049229654569 split increased to 2 itime 526051
+ acceleration/energy drift too large 4.25683496866720
+ 11.8040950247322 split increased to 2 itime 586895
itsplit 1
- acceleration/energy drift too large 4.33031213551804
- 11.6584020723687 split increased to 2 itime 526405
+ acceleration/energy drift too large 12.3723153430617
+ 61.5653886168644 split increased to 2 itime 587080
itsplit 1
- acceleration/energy drift too large 2.89987660969666
- 10.2115294208513 split increased to 2 itime 526791
+ acceleration/energy drift too large 4.00480398992742
+ 11.6336874665953 split increased to 2 itime 588010
itsplit 1
- acceleration/energy drift too large 5.52372885536780
- 13.5535612140281 split increased to 2 itime 528993
+ acceleration/energy drift too large 5.47917253326589
+ 20.8953880142594 split increased to 2 itime 589868
itsplit 1
-Velocities reset to random values, time 105999.80
- acceleration/energy drift too large 3.70275636200919
- 13.4710861934146 split increased to 2 itime 530474
+ acceleration/energy drift too large 9.99209878960268
+ 42.6855308830422 split increased to 2 itime 589946
itsplit 1
- acceleration/energy drift too large 2.41571166696613
- 12.4602175693832 split increased to 2 itime 530858
+Velocities reset to random values, time 117999.80
+ acceleration/energy drift too large 5.65279440920450
+ 16.8410895025587 split increased to 2 itime 591202
itsplit 1
- acceleration/energy drift too large 2.68349680397989
- 12.1152426457625 split increased to 2 itime 531249
+ acceleration/energy drift too large 7.39413064176121
+ 29.6545293404646 split increased to 2 itime 591989
itsplit 1
- acceleration/energy drift too large 8.77758438657475
- 37.8439925956811 split increased to 2 itime 533008
+ acceleration/energy drift too large 2.28576860873103
+ 15.9030392312553 split increased to 2 itime 591990
itsplit 1
- acceleration/energy drift too large 6.89339877829263
- 21.7218260282651 split increased to 2 itime 533631
+ acceleration/energy drift too large 11.9520156035650
+ 67.3310141453148 split increased to 2 itime 594362
itsplit 1
- acceleration/energy drift too large 3.27003317336367
- 11.2969528184949 split increased to 2 itime 533632
+ acceleration/energy drift too large 8.12226784338269
+ 32.8016333625779 split increased to 2 itime 595578
itsplit 1
- acceleration/energy drift too large 3.21117952990719
- 15.9270185873155 split increased to 2 itime 534114
+ acceleration/energy drift too large 9.64190489492777
+ 41.0415699266696 split increased to 2 itime 596639
itsplit 1
- acceleration/energy drift too large 4.11978610302706
- 10.2979167192968 split increased to 2 itime 535361
+ acceleration/energy drift too large 5.29458956305827
+ 17.2054992065185 split increased to 2 itime 596866
itsplit 1
- acceleration/energy drift too large 4.67166826625491
- 14.8946478841010 split increased to 2 itime 536759
+ acceleration/energy drift too large 4.32283687155241
+ 13.7329137229292 split increased to 2 itime 597244
itsplit 1
- acceleration/energy drift too large 5.58771635661948
- 13.4983520798147 split increased to 2 itime 538072
+ acceleration/energy drift too large 5.71623168104527
+ 16.0112454773388 split increased to 2 itime 599314
itsplit 1
- acceleration/energy drift too large 5.67939528348656
- 14.7626563059495 split increased to 2 itime 538922
+Velocities reset to random values, time 119999.80
+ REMD synchro at 600000
+ ntwx_cache 1 1 1 1 1 1 1 1
+ MIN ii_write= 1
+ REMD gather times= 213.839843750000 0.000000000000000E+000
+ REMD writing rst time= 3.906250000000000E-003
+ REMD writing traj time= 0.000000000000000E+000
+ NREP 16
+ACC 1 250.00000 0.33333 12
+ACC 2 260.00000 0.33333 12
+ACC 3 270.00000 0.08333 12
+ACC 4 280.00000 0.75862 29
+ REMD scatter time= 0.000000000000000E+000
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 1.96378919303669
+ 11.6381826031193 split increased to 2 itime 600761
itsplit 1
- acceleration/energy drift too large 3.67716290810597
- 10.4469947285147 split increased to 2 itime 539096
+ acceleration/energy drift too large 9.57942729717024
+ 37.8370811718215 split increased to 2 itime 600765
itsplit 1
-Velocities reset to random values, time 107999.80
- acceleration/energy drift too large 5.98249217089775
- 16.2681936870645 split increased to 2 itime 540086
+ acceleration/energy drift too large 4.80056596664212
+ 15.9055140418011 split increased to 2 itime 601198
itsplit 1
- acceleration/energy drift too large 4.77919757657508
- 20.8551686810403 split increased to 2 itime 540115
+ acceleration/energy drift too large 2.66786950855939
+ 15.8176033042936 split increased to 2 itime 601486
itsplit 1
- acceleration/energy drift too large 2.32227318681514
- 10.7568571871876 split increased to 2 itime 540346
+ acceleration/energy drift too large 5.91833002634705
+ 14.8832157129661 split increased to 2 itime 606034
itsplit 1
- acceleration/energy drift too large 9.07865693339212
- 43.1400048375336 split increased to 2 itime 540569
+ acceleration/energy drift too large 4.63615688571700
+ 13.9048896889697 split increased to 2 itime 606387
itsplit 1
- acceleration/energy drift too large 4.47200704294252
- 12.6234219067852 split increased to 2 itime 540607
+ acceleration/energy drift too large 10.4619543478080
+ 45.8577417607386 split increased to 2 itime 606456
itsplit 1
- acceleration/energy drift too large 6.28151566451018
- 28.0760975183786 split increased to 2 itime 541808
+ acceleration/energy drift too large 4.43183574452229
+ 20.5195686416413 split increased to 2 itime 606592
itsplit 1
- acceleration/energy drift too large 5.24540037412473
- 17.8347197786324 split increased to 2 itime 541812
+ acceleration/energy drift too large 7.70234298749965
+ 24.5429432694940 split increased to 2 itime 607971
itsplit 1
- acceleration/energy drift too large 2.96884080837995
- 18.6125200481597 split increased to 2 itime 542954
+ acceleration/energy drift too large 3.00083389648853
+ 19.7308431827365 split increased to 2 itime 608614
itsplit 1
- acceleration/energy drift too large 3.55964969473170
- 10.6880795424455 split increased to 2 itime 543072
+Velocities reset to random values, time 121999.80
+ acceleration/energy drift too large 7.92560584050899
+ 27.8951139858107 split increased to 2 itime 614550
itsplit 1
- acceleration/energy drift too large 7.22762546435958
- 19.5068981460213 split increased to 2 itime 544650
+ acceleration/energy drift too large 4.14019080726154
+ 11.9886015179904 split increased to 2 itime 614706
itsplit 1
- acceleration/energy drift too large 4.73231833786203
- 11.3983392091166 split increased to 2 itime 546478
+ acceleration/energy drift too large 6.31170204612663
+ 28.0307452516115 split increased to 2 itime 614866
itsplit 1
- acceleration/energy drift too large 7.18463896191423
- 22.9634768465345 split increased to 2 itime 548340
+ acceleration/energy drift too large 10.7830850983067
+ 64.9829245310915 split increased to 2 itime 619420
itsplit 1
- acceleration/energy drift too large 8.32539664982766
- 31.3709421649855 split increased to 2 itime 548949
+ acceleration/energy drift too large 2.37037691635026
+ 13.3662858363982 split increased to 4 itime 619420
+ itsplit 2
+Velocities reset to random values, time 123999.80
+ acceleration/energy drift too large 4.01600402099820
+ 10.8969504974299 split increased to 2 itime 622508
itsplit 1
-Velocities reset to random values, time 109999.80
- acceleration/energy drift too large 2.26466889492993
- 14.7346518116248 split increased to 2 itime 550130
+ acceleration/energy drift too large 4.58251383978812
+ 14.7650481326685 split increased to 2 itime 622963
itsplit 1
- acceleration/energy drift too large 2.17718572580954
- 10.7152320023957 split increased to 2 itime 550305
+ acceleration/energy drift too large 3.74725293714702
+ 11.6740575364923 split increased to 2 itime 625306
itsplit 1
- acceleration/energy drift too large 5.66823796957432
- 24.1623378667029 split increased to 2 itime 552142
+ acceleration/energy drift too large 6.93224679507207
+ 18.5574853574190 split increased to 2 itime 627367
itsplit 1
- acceleration/energy drift too large 4.72338143136115
- 18.0162489470414 split increased to 2 itime 555455
+ acceleration/energy drift too large 2.42912033761586
+ 13.2542555132774 split increased to 2 itime 627833
itsplit 1
- acceleration/energy drift too large 1.21814115993528
- 10.6557817486501 split increased to 2 itime 555456
+ acceleration/energy drift too large 4.92360671121761
+ 14.5738650965458 split increased to 2 itime 628028
itsplit 1
- acceleration/energy drift too large 4.71873874217820
- 12.3045997542898 split increased to 2 itime 556735
+Velocities reset to random values, time 125999.80
+ acceleration/energy drift too large 6.40377841558155
+ 19.9696019130411 split increased to 2 itime 630358
itsplit 1
- acceleration/energy drift too large 2.81864181280901
- 10.7578415287717 split increased to 2 itime 557254
+ acceleration/energy drift too large 1.78032985920441
+ 12.6867762578165 split increased to 2 itime 630517
itsplit 1
- acceleration/energy drift too large 5.38880875585498
- 10.9436705870048 split increased to 2 itime 558322
+ acceleration/energy drift too large 2.41539021362087
+ 13.6648450942296 split increased to 2 itime 632333
itsplit 1
- acceleration/energy drift too large 5.25018694787945
- 16.1244969217503 split increased to 2 itime 558825
+ acceleration/energy drift too large 4.33494161819931
+ 10.3505501054893 split increased to 2 itime 632649
itsplit 1
- acceleration/energy drift too large 3.51199583606620
- 22.0186433413395 split increased to 2 itime 559533
+ acceleration/energy drift too large 9.27560026378491
+ 38.9755858920106 split increased to 2 itime 634988
itsplit 1
-Velocities reset to random values, time 111999.80
- acceleration/energy drift too large 4.77525032659885
- 17.3570393117425 split increased to 2 itime 560152
+ acceleration/energy drift too large 4.68737615210203
+ 12.9674509177316 split increased to 2 itime 636078
itsplit 1
- acceleration/energy drift too large 4.52364989727569
- 25.7705556381578 split increased to 2 itime 560454
+ acceleration/energy drift too large 3.55737395999643
+ 10.7953743791962 split increased to 2 itime 636137
itsplit 1
- acceleration/energy drift too large 3.82043543989368
- 32.6071138534380 split increased to 2 itime 560856
+ acceleration/energy drift too large 5.62620927863390
+ 18.3434316583332 split increased to 2 itime 638073
itsplit 1
- acceleration/energy drift too large 7.07007806179116
- 34.6319487991988 split increased to 2 itime 560882
+ acceleration/energy drift too large 2.70532224906033
+ 10.1798567552104 split increased to 2 itime 638425
itsplit 1
- acceleration/energy drift too large 5.07201300847438
- 11.5321401734334 split increased to 2 itime 560972
+Velocities reset to random values, time 127999.80
+ acceleration/energy drift too large 8.66021355973768
+ 33.4625463389495 split increased to 2 itime 643266
itsplit 1
- acceleration/energy drift too large 9.41746917352430
- 42.4261388221302 split increased to 2 itime 561044
+ acceleration/energy drift too large 3.39945384602488
+ 10.1003781734592 split increased to 2 itime 645676
itsplit 1
- acceleration/energy drift too large 2.45719993108579
- 18.2177606644448 split increased to 2 itime 561045
+ acceleration/energy drift too large 6.07987264298656
+ 16.0331223707494 split increased to 2 itime 648674
itsplit 1
- acceleration/energy drift too large 4.11245820046070
- 15.0806991924647 split increased to 2 itime 562198
+ acceleration/energy drift too large 5.63427270705266
+ 11.3908880785043 split increased to 2 itime 649996
itsplit 1
- acceleration/energy drift too large 4.38648055271156
- 17.9415976419972 split increased to 2 itime 562861
+Velocities reset to random values, time 129999.80
+ acceleration/energy drift too large 5.28591416491993
+ 14.8996153707178 split increased to 2 itime 650969
itsplit 1
- acceleration/energy drift too large 4.56956996152755
- 12.8363047721838 split increased to 2 itime 563277
+ acceleration/energy drift too large 1.93739618559575
+ 13.2597029898814 split increased to 2 itime 652347
itsplit 1
- acceleration/energy drift too large 5.68343818585799
- 13.7260979365542 split increased to 2 itime 563331
+ acceleration/energy drift too large 4.59884008304321
+ 11.3908712500636 split increased to 2 itime 653663
itsplit 1
- acceleration/energy drift too large 4.53254443278119
- 16.2112364416784 split increased to 2 itime 564928
+ acceleration/energy drift too large 7.73736964716356
+ 38.1817814114604 split increased to 2 itime 654943
itsplit 1
- acceleration/energy drift too large 4.65429783387595
- 19.7944729571123 split increased to 2 itime 565795
+ acceleration/energy drift too large 3.80257229177762
+ 10.8689564084771 split increased to 2 itime 655322
itsplit 1
- acceleration/energy drift too large 5.39440195026612
- 28.4885176569247 split increased to 2 itime 566161
+ acceleration/energy drift too large 2.75296840340959
+ 15.1677778041949 split increased to 2 itime 655479
itsplit 1
- acceleration/energy drift too large 10.6183688712963
- 43.2355563358334 split increased to 2 itime 566444
+ acceleration/energy drift too large 2.28114676486544
+ 12.3679343079403 split increased to 2 itime 656136
itsplit 1
- acceleration/energy drift too large 5.08037841573996
- 13.3624995456930 split increased to 2 itime 567423
+ acceleration/energy drift too large 13.2702714986262
+ 94.4718674617195 split increased to 2 itime 659203
itsplit 1
- acceleration/energy drift too large 3.45423612561341
- 23.1607365253115 split increased to 2 itime 567900
+ acceleration/energy drift too large 2.68290913966884
+ 16.7126918739845 split increased to 4 itime 659203
+ itsplit 2
+Velocities reset to random values, time 131999.80
+ acceleration/energy drift too large 6.06578230130721
+ 27.0237677678295 split increased to 2 itime 660233
itsplit 1
- acceleration/energy drift too large 3.67477965825423
- 16.4053479040359 split increased to 2 itime 567961
+ acceleration/energy drift too large 2.31554180817383
+ 10.7574763284033 split increased to 2 itime 660234
itsplit 1
- acceleration/energy drift too large 6.92070055837482
- 13.1209837779539 split increased to 2 itime 568164
+ acceleration/energy drift too large 6.03348036298339
+ 26.1470318527420 split increased to 2 itime 660977
itsplit 1
- acceleration/energy drift too large 1.99306230078888
- 11.1972243208649 split increased to 2 itime 568857
+ acceleration/energy drift too large 7.29388663794550
+ 13.9689873535169 split increased to 2 itime 661387
itsplit 1
- acceleration/energy drift too large 2.60812848850784
- 11.0977367348434 split increased to 2 itime 569587
+ acceleration/energy drift too large 5.47965546509220
+ 19.0759554731623 split increased to 2 itime 661437
itsplit 1
-Velocities reset to random values, time 113999.80
- acceleration/energy drift too large 6.28172894596124
- 11.2712082102487 split increased to 2 itime 570005
+ acceleration/energy drift too large 4.78332067268369
+ 10.2488858937025 split increased to 2 itime 661679
itsplit 1
- acceleration/energy drift too large 4.13233596187048
- 19.1027698226643 split increased to 2 itime 572060
+ acceleration/energy drift too large 3.89474817707026
+ 15.1824916243999 split increased to 2 itime 664856
itsplit 1
- acceleration/energy drift too large 5.07142743836596
- 10.0105242034786 split increased to 2 itime 576537
+ acceleration/energy drift too large 4.82757475037370
+ 12.7125117757823 split increased to 2 itime 665004
itsplit 1
- acceleration/energy drift too large 4.78234998724306
- 28.3637842214095 split increased to 2 itime 576766
+ acceleration/energy drift too large 2.82117842725993
+ 18.1699787400113 split increased to 2 itime 665785
itsplit 1
- acceleration/energy drift too large 7.85647226617631
- 33.9096284304355 split increased to 2 itime 577827
+ acceleration/energy drift too large 5.16137015645680
+ 13.0204329074062 split increased to 2 itime 666283
itsplit 1
- acceleration/energy drift too large 12.1547666968091
- 61.5552743439312 split increased to 2 itime 578165
+ acceleration/energy drift too large 4.99215297416012
+ 12.3362969715448 split increased to 2 itime 668228
itsplit 1
- acceleration/energy drift too large 5.60545467241018
- 12.8911474229217 split increased to 2 itime 578294
+ acceleration/energy drift too large 5.13892389515551
+ 20.8912491510906 split increased to 2 itime 668761
itsplit 1
- acceleration/energy drift too large 5.28724211735095
- 15.0235032714999 split increased to 2 itime 579476
+Velocities reset to random values, time 133999.80
+ acceleration/energy drift too large 10.1675982071226
+ 48.0489203572038 split increased to 2 itime 673776
itsplit 1
-Velocities reset to random values, time 115999.80
- acceleration/energy drift too large 4.92922965632018
- 11.8603665701726 split increased to 2 itime 580181
+ acceleration/energy drift too large 2.56413703402463
+ 11.9279952603223 split increased to 4 itime 673776
+ itsplit 2
+ acceleration/energy drift too large 2.35252059131755
+ 11.6043725097785 split increased to 2 itime 674420
itsplit 1
- acceleration/energy drift too large 4.46550576324055
- 21.4281685054746 split increased to 2 itime 580330
+ acceleration/energy drift too large 5.65115286886535
+ 19.4541949955113 split increased to 2 itime 674921
itsplit 1
- acceleration/energy drift too large 9.76432722024679
- 41.8692898231217 split increased to 2 itime 583975
+ acceleration/energy drift too large 1.09845813933182
+ 13.0131613543532 split increased to 2 itime 674922
itsplit 1
- acceleration/energy drift too large 6.13619205016591
- 23.5295855051616 split increased to 2 itime 584053
+ acceleration/energy drift too large 6.32171360573966
+ 25.9064175564087 split increased to 2 itime 675454
itsplit 1
- acceleration/energy drift too large 5.18273644482176
- 10.5043036926326 split increased to 2 itime 584058
+ acceleration/energy drift too large 1.70489549834997
+ 11.0197096618008 split increased to 2 itime 675572
itsplit 1
- acceleration/energy drift too large 5.93598969960208
- 27.4274710032168 split increased to 2 itime 584505
+ acceleration/energy drift too large 7.39736251582639
+ 21.9962513531081 split increased to 2 itime 677088
itsplit 1
- acceleration/energy drift too large 5.53944690650803
- 23.2831330385874 split increased to 2 itime 585031
+Velocities reset to random values, time 135999.80
+ acceleration/energy drift too large 8.44053192464875
+ 34.0966454555823 split increased to 2 itime 680381
itsplit 1
- acceleration/energy drift too large 4.93526147090713
- 28.6609024456121 split increased to 2 itime 585720
+ acceleration/energy drift too large 4.51300263330278
+ 12.1894462932551 split increased to 2 itime 681863
itsplit 1
- acceleration/energy drift too large 7.49020620161100
- 11.1566603817866 split increased to 2 itime 586060
+ acceleration/energy drift too large 7.78394988890317
+ 33.1251060582066 split increased to 2 itime 686687
itsplit 1
- acceleration/energy drift too large 8.51949685575566
- 23.9195135922850 split increased to 2 itime 586207
+Velocities reset to random values, time 137999.80
+ acceleration/energy drift too large 5.93949444611198
+ 14.3704046236860 split increased to 2 itime 690346
itsplit 1
- acceleration/energy drift too large 6.72631274834742
- 18.0245772265330 split increased to 2 itime 586255
+ acceleration/energy drift too large 4.95126951476788
+ 24.0101574219630 split increased to 2 itime 690838
itsplit 1
- acceleration/energy drift too large 10.9772059466190
- 52.3850210891664 split increased to 2 itime 586271
+ acceleration/energy drift too large 3.85808667025802
+ 20.9555336135464 split increased to 2 itime 690839
itsplit 1
- acceleration/energy drift too large 3.48170788648421
- 21.2732599466495 split increased to 2 itime 588402
+ acceleration/energy drift too large 3.77847650311979
+ 13.2954747858500 split increased to 2 itime 691507
itsplit 1
- acceleration/energy drift too large 4.66058414765870
- 25.6568673378139 split increased to 2 itime 589444
+ acceleration/energy drift too large 5.97315285725781
+ 19.1646427919301 split increased to 2 itime 693063
itsplit 1
- acceleration/energy drift too large 5.89327729894395
- 12.2381292016813 split increased to 2 itime 589560
+ acceleration/energy drift too large 6.46438632176381
+ 25.4736114112006 split increased to 2 itime 693226
itsplit 1
-Velocities reset to random values, time 117999.80
- acceleration/energy drift too large 3.00030800947840
- 18.9623731678106 split increased to 2 itime 591034
+ acceleration/energy drift too large 3.38778395216772
+ 14.0283417870505 split increased to 2 itime 693564
itsplit 1
- acceleration/energy drift too large 4.70606209721646
- 15.4517098276840 split increased to 2 itime 591331
+ acceleration/energy drift too large 9.81354502036804
+ 42.0736665316571 split increased to 2 itime 693689
itsplit 1
- acceleration/energy drift too large 3.27422476910192
- 12.9785460637501 split increased to 2 itime 591332
+ acceleration/energy drift too large 6.24095210300483
+ 15.0794400114372 split increased to 2 itime 694167
itsplit 1
- acceleration/energy drift too large 5.31096362913954
- 11.8983323477478 split increased to 2 itime 591978
+ acceleration/energy drift too large 3.19329034961771
+ 11.3137752538518 split increased to 2 itime 694969
itsplit 1
- acceleration/energy drift too large 4.80816018632338
- 22.8806385435214 split increased to 2 itime 593075
+ acceleration/energy drift too large 3.45920055620734
+ 24.4507284791580 split increased to 2 itime 695954
itsplit 1
- acceleration/energy drift too large 4.94943194016466
- 28.8570977704755 split increased to 2 itime 598368
+ acceleration/energy drift too large 6.37850586519598
+ 21.6697751936551 split increased to 2 itime 696069
itsplit 1
- acceleration/energy drift too large 4.84183126113497
- 25.7807680143686 split increased to 2 itime 598458
+ acceleration/energy drift too large 4.32128687563604
+ 12.7388263227708 split increased to 2 itime 697684
itsplit 1
- acceleration/energy drift too large 7.74343932153576
- 24.0554717752143 split increased to 2 itime 599415
+ acceleration/energy drift too large 5.36090074982323
+ 17.8182512992673 split increased to 2 itime 698445
itsplit 1
- acceleration/energy drift too large 5.97341098091524
- 48.7993556690080 split increased to 2 itime 599443
+ acceleration/energy drift too large 3.08523350089059
+ 10.1042945459729 split increased to 2 itime 699541
itsplit 1
- acceleration/energy drift too large 1.37476309967977
- 10.2693332351367 split increased to 4 itime 599443
- itsplit 2
-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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
+Velocities reset to random values, time 139999.80
+ REMD synchro at 700000
+ ntwx_cache 1 1 1 1 1 1 1 1
MIN ii_write= 1
- REMD gather times= 248.367187500000 0.000000000000000E+000
+ REMD gather times= 249.519531250000 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 0.41667 12
-ACC 2 260.00000 0.16667 12
-ACC 3 270.00000 0.66667 12
-ACC 4 280.00000 0.75000 12
-ACC 5 290.00000 0.66667 12
-ACC 6 300.00000 0.83333 12
-ACC 7 310.00000 0.66667 12
-ACC 8 320.00000 0.50000 12
-ACC 9 330.00000 0.75000 12
-ACC 10 340.00000 0.58333 12
-ACC 11 350.00000 0.83333 12
-ACC 12 360.00000 0.83333 12
-ACC 13 370.00000 0.66667 12
-ACC 14 380.00000 1.00000 12
-ACC 15 390.00000 0.91667 12
+ACC 1 250.00000 0.35714 14
+ACC 2 260.00000 0.35714 14
+ACC 3 270.00000 0.07143 14
+ACC 4 280.00000 0.72727 33
REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 6.25754695601952
- 16.0138492056977 split increased to 2 itime 600975
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 8.71712155062556
+ 33.5072667815886 split increased to 2 itime 705414
itsplit 1
- acceleration/energy drift too large 3.25174991181445
- 12.0550990148146 split increased to 2 itime 600992
+ acceleration/energy drift too large 5.61962906832314
+ 13.2457651744474 split increased to 2 itime 708632
itsplit 1
- acceleration/energy drift too large 12.3319863554273
- 71.6417017996117 split increased to 2 itime 601216
+Velocities reset to random values, time 141999.80
+ acceleration/energy drift too large 6.44585386562821
+ 38.6413323157742 split increased to 2 itime 710178
itsplit 1
- acceleration/energy drift too large 6.25151631607253
- 21.8765548204327 split increased to 2 itime 602298
+ acceleration/energy drift too large 5.87499260957238
+ 27.5599658060526 split increased to 2 itime 711406
itsplit 1
- acceleration/energy drift too large 8.63609835663977
- 36.3026138271237 split increased to 2 itime 603041
+ acceleration/energy drift too large 9.11193289071173
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itsplit 1
- acceleration/energy drift too large 8.60251448226929
- 34.3979732941485 split increased to 2 itime 603163
+ acceleration/energy drift too large 2.59211141320019
+ 13.1320275929318 split increased to 2 itime 713100
itsplit 1
- acceleration/energy drift too large 4.95134287218677
- 14.7499243340670 split increased to 2 itime 604436
+ acceleration/energy drift too large 2.74515403067154
+ 10.8153389072186 split increased to 2 itime 713530
itsplit 1
- acceleration/energy drift too large 2.28267096421602
- 13.7541501907709 split increased to 2 itime 604998
+ acceleration/energy drift too large 3.50999948083756
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itsplit 1
- acceleration/energy drift too large 7.83944263263716
- 28.0577344302289 split increased to 2 itime 605000
+ acceleration/energy drift too large 5.70218059971810
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itsplit 1
- acceleration/energy drift too large 6.62004344972939
- 50.7128989712119 split increased to 2 itime 605202
+ acceleration/energy drift too large 5.84555029402403
+ 39.7374575916010 split increased to 2 itime 714915
itsplit 1
- acceleration/energy drift too large 1.66239150994189
- 12.2246505708942 split increased to 4 itime 605202
- itsplit 2
- acceleration/energy drift too large 4.46922322511910
- 26.4172622085791 split increased to 2 itime 605903
+Velocities reset to random values, time 143999.80
+ acceleration/energy drift too large 11.7721173415737
+ 61.8532622946670 split increased to 2 itime 720375
itsplit 1
- acceleration/energy drift too large 3.56815604225865
- 34.7819824336585 split increased to 2 itime 605907
+ acceleration/energy drift too large 3.70274110107479
+ 21.9857487962291 split increased to 2 itime 722176
itsplit 1
- acceleration/energy drift too large 4.34038675391365
- 22.9625423136930 split increased to 2 itime 605908
+ acceleration/energy drift too large 6.26956204105007
+ 18.1888778825175 split increased to 2 itime 722412
itsplit 1
- acceleration/energy drift too large 5.12439612206967
- 12.8560558237277 split increased to 2 itime 605983
+ acceleration/energy drift too large 3.83337534381826
+ 16.1663806086950 split increased to 2 itime 722434
itsplit 1
- acceleration/energy drift too large 10.2070435174598
- 53.0745108984771 split increased to 2 itime 606191
+ acceleration/energy drift too large 2.67514962704550
+ 12.1138854183229 split increased to 2 itime 722645
itsplit 1
- acceleration/energy drift too large 2.49345997190288
- 12.9109411539299 split increased to 4 itime 606191
- itsplit 2
- acceleration/energy drift too large 3.57573247638144
- 13.3291307634903 split increased to 2 itime 606440
+ acceleration/energy drift too large 3.26167804903766
+ 15.9652226001032 split increased to 2 itime 725084
itsplit 1
- acceleration/energy drift too large 4.25532031284735
- 11.7143305137870 split increased to 2 itime 607540
+ acceleration/energy drift too large 2.69902770844230
+ 10.2317190459437 split increased to 2 itime 726352
itsplit 1
- acceleration/energy drift too large 4.76461993962858
- 28.5691397689605 split increased to 2 itime 607562
+ acceleration/energy drift too large 2.38106510395763
+ 12.0097362460579 split increased to 2 itime 728124
itsplit 1
- acceleration/energy drift too large 3.85460790591855
- 16.2444585238539 split increased to 2 itime 607590
+ acceleration/energy drift too large 4.09097377768023
+ 12.2733137023295 split increased to 2 itime 729076
itsplit 1
- acceleration/energy drift too large 3.64765651925315
- 10.7113929610203 split increased to 2 itime 607755
+ acceleration/energy drift too large 2.00623181758130
+ 11.1813434073448 split increased to 2 itime 729805
itsplit 1
- acceleration/energy drift too large 6.21296939623000
- 30.0296721727243 split increased to 2 itime 608048
+ acceleration/energy drift too large 1.81746814142411
+ 12.1270189782978 split increased to 2 itime 729927
itsplit 1
- acceleration/energy drift too large 2.48037796460787
- 11.7610928969634 split increased to 2 itime 608086
+Velocities reset to random values, time 145999.80
+ acceleration/energy drift too large 6.30171898653417
+ 26.9332205320552 split increased to 2 itime 730448
itsplit 1
- acceleration/energy drift too large 2.78709775318731
- 10.4327571196836 split increased to 2 itime 608221
+ acceleration/energy drift too large 4.09789844919381
+ 12.0417552342048 split increased to 2 itime 731145
itsplit 1
- acceleration/energy drift too large 4.28793301306952
- 13.2853518882747 split increased to 2 itime 608480
+ acceleration/energy drift too large 2.73308834492697
+ 16.2661868478427 split increased to 2 itime 731362
itsplit 1
- acceleration/energy drift too large 7.34175924172900
- 23.8992907548958 split increased to 2 itime 609591
+ acceleration/energy drift too large 9.27944111411627
+ 46.3391757629225 split increased to 2 itime 732256
itsplit 1
- acceleration/energy drift too large 2.35604254849620
- 13.6989367907869 split increased to 2 itime 609804
+ acceleration/energy drift too large 1.94236498933447
+ 12.4101487281980 split increased to 2 itime 732257
itsplit 1
-Velocities reset to random values, time 121999.80
- acceleration/energy drift too large 2.23073242682005
- 13.2884722954553 split increased to 2 itime 610143
+ acceleration/energy drift too large 5.50306040868782
+ 17.9944901353772 split increased to 2 itime 732581
itsplit 1
- acceleration/energy drift too large 4.60247782431103
- 15.1902279665381 split increased to 2 itime 611002
+ acceleration/energy drift too large 2.70798748275415
+ 16.5384327302314 split increased to 2 itime 732760
itsplit 1
- acceleration/energy drift too large 1.89120048049976
- 12.6818570236140 split increased to 2 itime 611003
+ acceleration/energy drift too large 5.20603024460984
+ 14.8024244230431 split increased to 2 itime 735555
itsplit 1
- acceleration/energy drift too large 3.73325672849185
- 22.3064888639184 split increased to 2 itime 611807
+Velocities reset to random values, time 147999.80
+ acceleration/energy drift too large 4.51935684389718
+ 11.2060039808851 split increased to 2 itime 746862
itsplit 1
- acceleration/energy drift too large 8.35585347043471
- 34.7076259246126 split increased to 2 itime 612000
+ acceleration/energy drift too large 7.57723771632449
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itsplit 1
- acceleration/energy drift too large 1.38971879403589
- 11.7651402071369 split increased to 2 itime 612001
+ acceleration/energy drift too large 6.70692765878672
+ 20.1428183704622 split increased to 2 itime 749480
itsplit 1
- acceleration/energy drift too large 2.78978626180830
- 19.3385754660593 split increased to 2 itime 612857
+Velocities reset to random values, time 149999.80
+ acceleration/energy drift too large 2.95871265869162
+ 19.6753677498138 split increased to 2 itime 752117
itsplit 1
- acceleration/energy drift too large 10.5728475675563
- 54.8655375689583 split increased to 2 itime 613125
+ acceleration/energy drift too large 10.0761219189002
+ 49.4993481507667 split increased to 2 itime 753329
itsplit 1
- acceleration/energy drift too large 5.78335799316959
- 15.2599184361043 split increased to 2 itime 613661
+ acceleration/energy drift too large 4.68108098859650
+ 23.2541412083268 split increased to 2 itime 753335
itsplit 1
- acceleration/energy drift too large 6.81465661008858
- 17.2129199407860 split increased to 2 itime 614402
+ acceleration/energy drift too large 7.82483812264385
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itsplit 1
- acceleration/energy drift too large 6.45535852359543
- 12.4561185889454 split increased to 2 itime 614448
+ acceleration/energy drift too large 6.30043786410311
+ 25.8970084708371 split increased to 2 itime 755471
itsplit 1
- acceleration/energy drift too large 4.29347696641623
- 12.6176394806597 split increased to 2 itime 614525
+ acceleration/energy drift too large 4.81037887981775
+ 10.8554679887815 split increased to 2 itime 755613
itsplit 1
- acceleration/energy drift too large 5.85673512317867
- 12.3331535839340 split increased to 2 itime 615027
+ acceleration/energy drift too large 5.95694658496908
+ 15.1630153272357 split increased to 2 itime 758237
itsplit 1
- acceleration/energy drift too large 9.37493821680777
- 18.2143744448797 split increased to 2 itime 615028
+ acceleration/energy drift too large 4.30210782789837
+ 12.6008300192189 split increased to 2 itime 758456
itsplit 1
- acceleration/energy drift too large 10.3102338783809
- 53.7544533773782 split increased to 2 itime 615037
+ acceleration/energy drift too large 5.09699013416595
+ 12.6372021157292 split increased to 2 itime 758906
itsplit 1
- acceleration/energy drift too large 9.16679508179453
- 39.2153933201181 split increased to 2 itime 615795
+ acceleration/energy drift too large 4.95511357209333
+ 19.8205842668419 split increased to 2 itime 759379
itsplit 1
- acceleration/energy drift too large 3.78382215052233
- 31.9648666740243 split increased to 2 itime 616217
+ acceleration/energy drift too large 1.44703519904851
+ 12.2631942864162 split increased to 2 itime 759380
itsplit 1
- acceleration/energy drift too large 15.4752934626938
- 69.3784821315056 split increased to 2 itime 617539
+Velocities reset to random values, time 151999.80
+ acceleration/energy drift too large 3.86804444739608
+ 13.2881999627374 split increased to 2 itime 760540
itsplit 1
- acceleration/energy drift too large 3.16679187772658
- 10.8469354081524 split increased to 2 itime 617795
+ acceleration/energy drift too large 3.93152273863088
+ 11.1882483230881 split increased to 2 itime 760590
itsplit 1
- acceleration/energy drift too large 4.26131033939983
- 19.5691117336311 split increased to 2 itime 617938
+ acceleration/energy drift too large 4.32853759670472
+ 10.9617936057278 split increased to 2 itime 760876
itsplit 1
- acceleration/energy drift too large 6.27560260663197
- 10.5131592949516 split increased to 2 itime 618323
+ acceleration/energy drift too large 8.98124740107984
+ 33.0041095210235 split increased to 2 itime 761256
itsplit 1
- acceleration/energy drift too large 5.74578890944388
- 22.3583387751031 split increased to 2 itime 618521
+ acceleration/energy drift too large 6.47115509271955
+ 28.9900994753856 split increased to 2 itime 761762
itsplit 1
- acceleration/energy drift too large 7.00726666413875
- 24.1058400897520 split increased to 2 itime 618596
+ acceleration/energy drift too large 7.42242698149734
+ 25.9057091698444 split increased to 2 itime 763038
itsplit 1
- acceleration/energy drift too large 17.7138168462027
- 101.247922258645 split increased to 2 itime 618668
+ acceleration/energy drift too large 4.54022908914888
+ 12.1102826558000 split increased to 2 itime 763134
itsplit 1
- acceleration/energy drift too large 4.55320871021421
- 26.9304761145780 split increased to 4 itime 618668
- itsplit 2
- acceleration/energy drift too large 3.61468688004105
- 12.2901039955406 split increased to 2 itime 619019
+ acceleration/energy drift too large 10.3421119805922
+ 54.2807901391931 split increased to 2 itime 764218
itsplit 1
- acceleration/energy drift too large 11.8535324647124
- 67.9230414874380 split increased to 2 itime 619052
+ acceleration/energy drift too large 6.23713027726598
+ 20.1092406564759 split increased to 2 itime 766353
itsplit 1
- acceleration/energy drift too large 2.82890558233372
- 16.0632128021099 split increased to 4 itime 619052
- itsplit 2
- acceleration/energy drift too large 5.24726174362651
- 19.3357497549723 split increased to 2 itime 619445
+ acceleration/energy drift too large 5.98697107122912
+ 25.5299170773581 split increased to 2 itime 766998
itsplit 1
- acceleration/energy drift too large 7.40759773403780
- 16.1497113697539 split increased to 2 itime 619940
+ acceleration/energy drift too large 7.46756174010912
+ 24.2131948282495 split increased to 2 itime 769359
itsplit 1
-Velocities reset to random values, time 123999.80
- acceleration/energy drift too large 4.61281068663170
- 13.3610025264939 split increased to 2 itime 620002
+ acceleration/energy drift too large 5.80770424804647
+ 15.7271064834330 split increased to 2 itime 769535
itsplit 1
- acceleration/energy drift too large 7.34373576827458
- 14.8394865742088 split increased to 2 itime 620586
+Velocities reset to random values, time 153999.80
+ acceleration/energy drift too large 3.77980028408596
+ 16.3210699451899 split increased to 2 itime 770383
+ itsplit 1
+ acceleration/energy drift too large 5.40141839583742
+ 14.7181677295055 split increased to 2 itime 771003
itsplit 1
- acceleration/energy drift too large 2.71735752984788
- 25.0945308135358 split increased to 2 itime 621783
+ acceleration/energy drift too large 5.77936597013653
+ 15.2383364672246 split increased to 2 itime 773845
itsplit 1
- acceleration/energy drift too large 2.58777998840925
- 11.4619099291705 split increased to 2 itime 622120
+ acceleration/energy drift too large 2.73291905596801
+ 11.9577963816351 split increased to 2 itime 778857
itsplit 1
- acceleration/energy drift too large 6.55602809534122
- 34.2219751637132 split increased to 2 itime 622167
+Velocities reset to random values, time 155999.80
+ acceleration/energy drift too large 11.7640147461158
+ 62.2040647539116 split increased to 2 itime 780483
itsplit 1
- acceleration/energy drift too large 5.04860873994601
- 16.8609309840067 split increased to 2 itime 623443
+ acceleration/energy drift too large 4.96581771860312
+ 11.1091968067813 split increased to 2 itime 787610
itsplit 1
- acceleration/energy drift too large 10.0064370227291
- 45.2458059724488 split increased to 2 itime 623680
+Velocities reset to random values, time 157999.80
+ acceleration/energy drift too large 2.56709627090463
+ 13.1676750619354 split increased to 2 itime 795440
itsplit 1
- acceleration/energy drift too large 2.15901251155502
- 10.6571525717496 split increased to 2 itime 623791
+ acceleration/energy drift too large 6.24999496939122
+ 19.4944290191357 split increased to 2 itime 796413
itsplit 1
- acceleration/energy drift too large 4.27762630948463
- 14.5709551524407 split increased to 2 itime 623793
+ acceleration/energy drift too large 2.46803050969701
+ 10.6672184459973 split increased to 2 itime 796669
itsplit 1
- acceleration/energy drift too large 4.58889291725837
- 14.2957309506940 split increased to 2 itime 623970
+ acceleration/energy drift too large 5.65438322951697
+ 20.1889331273561 split increased to 2 itime 797737
itsplit 1
- acceleration/energy drift too large 5.26103380848589
- 10.6162014271031 split increased to 2 itime 624188
+ acceleration/energy drift too large 7.21842618244476
+ 16.2493068405891 split increased to 2 itime 798946
itsplit 1
- acceleration/energy drift too large 2.92413424083488
- 14.6043235682637 split increased to 2 itime 625715
+Velocities reset to random values, time 159999.80
+ REMD synchro at 800000
+ ntwx_cache 1 1 1 1 1 1 1 1
+ MIN ii_write= 1
+ REMD gather times= 285.757812500000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
+ REMD writing traj time= 3.906250000000000E-003
+ NREP 16
+ACC 1 250.00000 0.31250 16
+ACC 2 260.00000 0.31250 16
+ACC 3 270.00000 0.06250 16
+ACC 4 280.00000 0.74359 39
+ REMD scatter time= 0.000000000000000E+000
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 2.17539362802573
+ 12.5512201940332 split increased to 2 itime 800073
itsplit 1
- acceleration/energy drift too large 5.05806167116464
- 18.2217928754235 split increased to 2 itime 625990
+ acceleration/energy drift too large 8.43898716212119
+ 16.0771808267397 split increased to 2 itime 800258
itsplit 1
- acceleration/energy drift too large 4.98250238317497
- 11.7229564869578 split increased to 2 itime 626303
+ acceleration/energy drift too large 4.76570378714015
+ 16.1423908929987 split increased to 2 itime 803728
itsplit 1
- acceleration/energy drift too large 4.74658966537367
- 10.9677800534330 split increased to 2 itime 627881
+ acceleration/energy drift too large 4.74616783083488
+ 16.6418700693617 split increased to 2 itime 804198
itsplit 1
- acceleration/energy drift too large 8.68585246123989
- 22.4625026217366 split increased to 2 itime 628038
+ acceleration/energy drift too large 6.79030300544150
+ 23.9206393800696 split increased to 2 itime 805130
itsplit 1
- acceleration/energy drift too large 6.13159924740396
- 15.5249058036236 split increased to 2 itime 628482
+ acceleration/energy drift too large 4.62432379739605
+ 15.0426138899308 split increased to 2 itime 806760
itsplit 1
- acceleration/energy drift too large 15.5992483537993
- 77.7324895343476 split increased to 2 itime 628669
+ acceleration/energy drift too large 10.6068957378003
+ 24.6820243095101 split increased to 2 itime 806987
itsplit 1
- acceleration/energy drift too large 8.26938046478706
- 31.0927882180708 split increased to 2 itime 628767
+ acceleration/energy drift too large 4.83576006191019
+ 14.3066070908599 split increased to 2 itime 808998
itsplit 1
- acceleration/energy drift too large 4.50418472045375
- 23.4801428375969 split increased to 2 itime 629607
+Velocities reset to random values, time 161999.80
+ acceleration/energy drift too large 10.8853254657301
+ 54.1273329813965 split increased to 2 itime 810971
itsplit 1
- acceleration/energy drift too large 3.41999600473549
- 13.7792186998930 split increased to 2 itime 629715
+ acceleration/energy drift too large 4.53936845692511
+ 24.3998561385874 split increased to 2 itime 813416
itsplit 1
-Velocities reset to random values, time 125999.80
- acceleration/energy drift too large 5.03449400802504
- 28.7422167096999 split increased to 2 itime 631056
+ acceleration/energy drift too large 2.00146474765907
+ 12.9181144375591 split increased to 2 itime 813499
itsplit 1
- acceleration/energy drift too large 5.57155139157944
- 21.9129303963323 split increased to 2 itime 631893
+ acceleration/energy drift too large 3.57707350019532
+ 24.8682544643142 split increased to 2 itime 816251
itsplit 1
- acceleration/energy drift too large 4.39099602346958
- 12.2343994016366 split increased to 2 itime 632023
+ acceleration/energy drift too large 3.44809577831474
+ 21.5634110551467 split increased to 2 itime 816534
itsplit 1
- acceleration/energy drift too large 12.4693925353863
- 63.6582093229182 split increased to 2 itime 632121
+ acceleration/energy drift too large 10.9543391299600
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itsplit 1
- acceleration/energy drift too large 4.67203082448706
- 14.2071918329760 split increased to 2 itime 632191
+ acceleration/energy drift too large 5.32441351691723
+ 12.1120016495625 split increased to 2 itime 819080
itsplit 1
- acceleration/energy drift too large 4.59910855946983
- 21.0772021116032 split increased to 2 itime 632375
+Velocities reset to random values, time 163999.80
+ acceleration/energy drift too large 5.39991149265490
+ 17.2277947644528 split increased to 2 itime 820063
itsplit 1
- acceleration/energy drift too large 3.22145382098193
- 17.7117307941751 split increased to 2 itime 632509
+ acceleration/energy drift too large 1.77314356133966
+ 14.9633963711270 split increased to 2 itime 820064
itsplit 1
- acceleration/energy drift too large 3.08755073441423
- 12.7826819184458 split increased to 2 itime 633356
+ acceleration/energy drift too large 4.72602817543723
+ 10.9256019375356 split increased to 2 itime 820536
itsplit 1
- acceleration/energy drift too large 6.66042233571607
- 26.2620896744813 split increased to 2 itime 633626
+ acceleration/energy drift too large 2.58402941216628
+ 13.1875737053157 split increased to 2 itime 821962
itsplit 1
- acceleration/energy drift too large 3.97185444107807
- 23.6478393886705 split increased to 2 itime 633903
+ acceleration/energy drift too large 2.59316645189961
+ 11.8150831444866 split increased to 2 itime 822008
itsplit 1
- acceleration/energy drift too large 5.77241667580570
- 17.1748855819711 split increased to 2 itime 633949
+ acceleration/energy drift too large 7.84009241952735
+ 24.2658608702363 split increased to 2 itime 822103
itsplit 1
- acceleration/energy drift too large 4.64482397370444
- 19.8304872303560 split increased to 2 itime 634704
+ acceleration/energy drift too large 5.40319326930534
+ 11.8982735402260 split increased to 2 itime 828348
itsplit 1
- acceleration/energy drift too large 3.68931892751294
- 12.0639327743879 split increased to 2 itime 634809
+Velocities reset to random values, time 165999.80
+ acceleration/energy drift too large 6.71875130754419
+ 25.2611187087503 split increased to 2 itime 831456
itsplit 1
- acceleration/energy drift too large 14.6035450979379
- 77.5595625943338 split increased to 2 itime 634956
+ acceleration/energy drift too large 4.75516614909809
+ 10.9424768668879 split increased to 2 itime 834717
itsplit 1
- acceleration/energy drift too large 2.76654006098027
- 12.2562888872987 split increased to 4 itime 634956
- itsplit 2
- acceleration/energy drift too large 10.4973631985309
- 50.4338624550633 split increased to 2 itime 635596
+ acceleration/energy drift too large 6.34497564015413
+ 13.1115145670315 split increased to 2 itime 835201
itsplit 1
- acceleration/energy drift too large 2.65927462498442
- 13.2725300250988 split increased to 4 itime 635596
- itsplit 2
- acceleration/energy drift too large 16.9345762685632
- 80.3946911566731 split increased to 2 itime 636196
+ acceleration/energy drift too large 9.00927314031548
+ 40.7609719260337 split increased to 2 itime 839087
itsplit 1
- acceleration/energy drift too large 3.52277443468522
- 14.5400653761354 split increased to 4 itime 636196
- itsplit 2
- acceleration/energy drift too large 9.47748468759106
- 40.4111345876325 split increased to 2 itime 636822
+ acceleration/energy drift too large 1.22659978428022
+ 12.5016354638147 split increased to 2 itime 839088
itsplit 1
- acceleration/energy drift too large 2.39681730586056
- 10.2977279545475 split increased to 4 itime 636822
- itsplit 2
- acceleration/energy drift too large 6.03028562793473
- 31.2746718014368 split increased to 2 itime 636975
+ acceleration/energy drift too large 6.03700234552312
+ 30.5646722275483 split increased to 2 itime 839615
itsplit 1
- acceleration/energy drift too large 3.40481718430390
- 22.8278404282965 split increased to 2 itime 638790
+Velocities reset to random values, time 167999.80
+ acceleration/energy drift too large 7.10747507063090
+ 25.3635534227041 split increased to 2 itime 841100
itsplit 1
- acceleration/energy drift too large 6.73002467562677
- 11.9141295367997 split increased to 2 itime 638987
+ acceleration/energy drift too large 8.32288501793419
+ 34.6701853060050 split increased to 2 itime 844191
itsplit 1
-Velocities reset to random values, time 127999.80
- acceleration/energy drift too large 3.98175252438783
- 10.2917524815949 split increased to 2 itime 640019
+ acceleration/energy drift too large 9.99478444587331
+ 48.9481013666828 split increased to 2 itime 845529
itsplit 1
- acceleration/energy drift too large 6.79757148910487
- 13.8348662532623 split increased to 2 itime 640231
+ acceleration/energy drift too large 1.55884572897033
+ 12.5580476891549 split increased to 2 itime 846633
itsplit 1
- acceleration/energy drift too large 8.00915343075990
- 22.0738465078218 split increased to 2 itime 640277
+ acceleration/energy drift too large 6.19247638241802
+ 18.6356054457107 split increased to 2 itime 846822
itsplit 1
- acceleration/energy drift too large 3.91266132812530
- 11.9369064925071 split increased to 2 itime 640296
+ acceleration/energy drift too large 4.44580831767416
+ 13.3168174221503 split increased to 2 itime 848773
itsplit 1
- acceleration/energy drift too large 3.22851326933295
- 10.3607228423339 split increased to 2 itime 640300
+Velocities reset to random values, time 169999.80
+ acceleration/energy drift too large 5.12667595074069
+ 18.1083848008558 split increased to 2 itime 851129
itsplit 1
- acceleration/energy drift too large 5.73429033103735
- 12.4491087336185 split increased to 2 itime 640471
+ acceleration/energy drift too large 5.31495230794195
+ 17.2173388901390 split increased to 2 itime 853536
itsplit 1
- acceleration/energy drift too large 6.11086242511048
- 24.9213039169619 split increased to 2 itime 640631
+ acceleration/energy drift too large 3.98424321291486
+ 11.2007054137181 split increased to 2 itime 856516
itsplit 1
- acceleration/energy drift too large 7.22598447497305
- 16.5604493187080 split increased to 2 itime 640681
+ acceleration/energy drift too large 5.94878179603460
+ 22.5719085136287 split increased to 2 itime 857147
itsplit 1
- acceleration/energy drift too large 14.1894928413524
- 62.7618145737475 split increased to 2 itime 640962
+ acceleration/energy drift too large 6.57095914763455
+ 24.4479957178359 split increased to 2 itime 858182
itsplit 1
- acceleration/energy drift too large 3.62329406771329
- 16.0700551189854 split increased to 4 itime 640962
- itsplit 2
- acceleration/energy drift too large 3.42122869387669
- 11.2231233514544 split increased to 2 itime 641041
+ acceleration/energy drift too large 15.3232982653803
+ 94.3096408953427 split increased to 2 itime 858464
itsplit 1
- acceleration/energy drift too large 3.00276085415953
- 21.1159239383801 split increased to 2 itime 641353
+ acceleration/energy drift too large 2.59847752037541
+ 11.3246345994573 split increased to 4 itime 858464
itsplit 1
- acceleration/energy drift too large 2.99971789979545
- 13.2195348311053 split increased to 2 itime 641357
+Velocities reset to random values, time 171999.80
+ acceleration/energy drift too large 5.86756542175849
+ 21.7992406500632 split increased to 2 itime 864829
itsplit 1
- acceleration/energy drift too large 6.24077546962863
- 25.1056089413894 split increased to 2 itime 642481
+ acceleration/energy drift too large 10.4436714273162
+ 27.5466902558856 split increased to 2 itime 865917
itsplit 1
- acceleration/energy drift too large 3.67728639548230
- 16.7744147609823 split increased to 2 itime 642633
+ acceleration/energy drift too large 11.0395332028414
+ 47.1948502836328 split increased to 2 itime 865988
itsplit 1
- acceleration/energy drift too large 4.37370556165024
- 10.4741172758471 split increased to 2 itime 642644
+ acceleration/energy drift too large 3.89956981575038
+ 16.9814889591811 split increased to 2 itime 868423
itsplit 1
- acceleration/energy drift too large 1.55725923554902
- 13.6925817338256 split increased to 2 itime 643488
+Velocities reset to random values, time 173999.80
+ acceleration/energy drift too large 10.5985918498050
+ 44.4108923204752 split increased to 2 itime 871992
itsplit 1
- acceleration/energy drift too large 2.86169899824971
- 12.2327401660200 split increased to 2 itime 643586
+ acceleration/energy drift too large 8.13458200903626
+ 33.7407162724200 split increased to 2 itime 872087
itsplit 1
- acceleration/energy drift too large 11.3785494097924
- 60.0756999535705 split increased to 2 itime 645678
+ acceleration/energy drift too large 11.8357510065204
+ 52.5074558124040 split increased to 2 itime 873183
itsplit 1
- acceleration/energy drift too large 2.49108326243160
- 12.1734851098433 split increased to 4 itime 645678
+ acceleration/energy drift too large 2.92477123284909
+ 13.2448634858232 split increased to 4 itime 873183
itsplit 2
- acceleration/energy drift too large 4.74749423461805
- 12.8307181304668 split increased to 2 itime 647087
+ acceleration/energy drift too large 13.7853538755129
+ 70.7123452348024 split increased to 2 itime 873556
itsplit 1
- acceleration/energy drift too large 5.58180536363731
- 16.6679035142346 split increased to 2 itime 647593
+ acceleration/energy drift too large 4.96866389423669
+ 17.3093549158449 split increased to 2 itime 874158
itsplit 1
- acceleration/energy drift too large 17.1724466865508
- 113.567449114696 split increased to 2 itime 649068
+ acceleration/energy drift too large 4.58459324574727
+ 11.4561303759212 split increased to 2 itime 875643
itsplit 1
- acceleration/energy drift too large 2.91463226374264
- 18.8877731971016 split increased to 4 itime 649068
+ acceleration/energy drift too large 10.6717496401822
+ 54.4071662121665 split increased to 2 itime 877229
itsplit 1
- acceleration/energy drift too large 9.73044598716956
- 53.6852826646586 split increased to 2 itime 649667
+ acceleration/energy drift too large 2.00786172593375
+ 11.1712743875438 split increased to 2 itime 878489
itsplit 1
- acceleration/energy drift too large 5.99619247055488
- 23.7624336633405 split increased to 2 itime 649999
+Velocities reset to random values, time 175999.80
+ acceleration/energy drift too large 5.26879753513507
+ 14.4381583717057 split increased to 2 itime 882787
itsplit 1
-Velocities reset to random values, time 129999.80
- acceleration/energy drift too large 4.62535878963817
- 27.4696798603177 split increased to 2 itime 650344
+ acceleration/energy drift too large 5.55233467491308
+ 23.6300250093994 split increased to 2 itime 882907
itsplit 1
- acceleration/energy drift too large 3.73293135178210
- 27.5178361182993 split increased to 2 itime 650978
+ acceleration/energy drift too large 4.70041044413669
+ 10.9848991926025 split increased to 2 itime 884645
itsplit 1
- acceleration/energy drift too large 5.34322696411000
- 32.4767098829050 split increased to 2 itime 652742
+ acceleration/energy drift too large 4.94437942485239
+ 11.7892974456294 split increased to 2 itime 884751
itsplit 1
- acceleration/energy drift too large 3.12061448278396
- 20.1713319381800 split increased to 2 itime 656414
+ acceleration/energy drift too large 4.95630064513139
+ 18.4719051548976 split increased to 2 itime 886382
itsplit 1
- acceleration/energy drift too large 10.4783122146943
- 48.9719079925684 split increased to 2 itime 657555
+Velocities reset to random values, time 177999.80
+ acceleration/energy drift too large 1.96044152101068
+ 10.6558465484199 split increased to 2 itime 893369
itsplit 1
- acceleration/energy drift too large 2.41371230094004
- 14.5809220120447 split increased to 2 itime 659872
+ acceleration/energy drift too large 6.02734564193341
+ 12.1338237904880 split increased to 2 itime 893424
itsplit 1
-Velocities reset to random values, time 131999.80
- acceleration/energy drift too large 4.78850153589871
- 13.0931366521131 split increased to 2 itime 660723
+ acceleration/energy drift too large 2.40096382265142
+ 15.4450431909484 split increased to 2 itime 897886
itsplit 1
- acceleration/energy drift too large 9.66072181704057
- 44.7055256230949 split increased to 2 itime 660909
+Velocities reset to random values, time 179999.80
+ REMD synchro at 900000
+ ntwx_cache 1 1 1 1 1 1 1 1
+ MIN ii_write= 1
+ REMD gather times= 321.726562500000 0.000000000000000E+000
+ REMD writing rst time= 0.000000000000000E+000
+ REMD writing traj time= 3.906250000000000E-003
+ NREP 16
+ACC 1 250.00000 0.38889 18
+ACC 2 260.00000 0.27778 18
+ACC 3 270.00000 0.05556 18
+ACC 4 280.00000 0.72093 43
+ REMD scatter time= 0.000000000000000E+000
+ REMD exchange time= 3.906250000000000E-003
+ acceleration/energy drift too large 5.71514740344568
+ 13.6281022847843 split increased to 2 itime 901782
itsplit 1
- acceleration/energy drift too large 6.28298310165240
- 25.8316018068304 split increased to 2 itime 662105
+ acceleration/energy drift too large 10.9934125524854
+ 50.2920299901713 split increased to 2 itime 902127
itsplit 1
- acceleration/energy drift too large 4.61032849705654
- 22.0150139035228 split increased to 2 itime 663230
+ acceleration/energy drift too large 4.92210231899982
+ 12.0766504648517 split increased to 2 itime 902804
itsplit 1
- acceleration/energy drift too large 6.00982697522521
- 16.7808143561205 split increased to 2 itime 665126
+ acceleration/energy drift too large 5.06414109114000
+ 14.2657111988921 split increased to 2 itime 905587
itsplit 1
- acceleration/energy drift too large 4.29761659187874
- 13.8389430916353 split increased to 2 itime 665427
+ acceleration/energy drift too large 8.80994117321351
+ 37.1826606402313 split increased to 2 itime 906631
itsplit 1
- acceleration/energy drift too large 4.49294367021075
- 10.0015674199440 split increased to 2 itime 665478
+Velocities reset to random values, time 181999.80
+ acceleration/energy drift too large 2.65597561486335
+ 11.0743041903160 split increased to 2 itime 912387
itsplit 1
- acceleration/energy drift too large 3.82219634840162
- 10.4916655336026 split increased to 2 itime 668130
+ acceleration/energy drift too large 6.92818824344209
+ 21.6155762558959 split increased to 2 itime 913588
itsplit 1
- acceleration/energy drift too large 5.96094732042994
- 17.7703967803927 split increased to 2 itime 668261
+ acceleration/energy drift too large 7.90083716565405
+ 24.8690866265602 split increased to 2 itime 917888
itsplit 1
- acceleration/energy drift too large 4.89829468611348
- 12.0538031415534 split increased to 2 itime 668336
+ acceleration/energy drift too large 5.72687020356758
+ 11.5825835742799 split increased to 2 itime 918816
itsplit 1
- acceleration/energy drift too large 12.1335050769766
- 64.3482700132136 split increased to 2 itime 668445
+ acceleration/energy drift too large 5.01468640740298
+ 19.8130402657057 split increased to 2 itime 918891
itsplit 1
- acceleration/energy drift too large 4.02320339839840
- 14.8937021816675 split increased to 2 itime 669040
+ acceleration/energy drift too large 4.34456565370958
+ 13.0765561632187 split increased to 2 itime 919091
itsplit 1
- acceleration/energy drift too large 4.37223349949132
- 17.1658710500645 split increased to 2 itime 669860
+ acceleration/energy drift too large 5.13617802622190
+ 29.7591878227575 split increased to 2 itime 919424
itsplit 1
-Velocities reset to random values, time 133999.80
- acceleration/energy drift too large 4.39898780391572
- 19.4765180536983 split increased to 2 itime 670481
+ acceleration/energy drift too large 2.42414098178573
+ 12.0654053523613 split increased to 2 itime 919803
itsplit 1
- acceleration/energy drift too large 4.04788139707366
- 10.6701854910575 split increased to 2 itime 674226
+Velocities reset to random values, time 183999.80
+ acceleration/energy drift too large 10.0299038928884
+ 36.9966299551508 split increased to 2 itime 921986
itsplit 1
- acceleration/energy drift too large 4.24798732802235
- 25.6638290593318 split increased to 2 itime 674771
+ acceleration/energy drift too large 9.45590486003000
+ 47.1828560890575 split increased to 2 itime 923509
itsplit 1
- acceleration/energy drift too large 4.32785464484765
- 13.3743245923795 split increased to 2 itime 675004
+ acceleration/energy drift too large 3.46040715411608
+ 12.7825352307440 split increased to 2 itime 924383
itsplit 1
- acceleration/energy drift too large 6.01749921922012
- 31.1557172474781 split increased to 2 itime 675048
+ acceleration/energy drift too large 3.80214408147408
+ 14.3969163375044 split increased to 2 itime 924843
itsplit 1
- acceleration/energy drift too large 5.07111953847073
- 21.4290652104006 split increased to 2 itime 675391
+ acceleration/energy drift too large 3.94481731359246
+ 11.9708459217980 split increased to 2 itime 926962
itsplit 1
- acceleration/energy drift too large 5.12391341884474
- 10.2864342656937 split increased to 2 itime 675607
+ acceleration/energy drift too large 6.74396860154954
+ 20.5349934875906 split increased to 2 itime 927389
itsplit 1
- acceleration/energy drift too large 5.50944853554163
- 31.2879529447634 split increased to 2 itime 676330
+ acceleration/energy drift too large 5.36040437534790
+ 24.0102532988524 split increased to 2 itime 928350
itsplit 1
- acceleration/energy drift too large 6.48040329681869
- 32.8386781768475 split increased to 2 itime 676420
+ acceleration/energy drift too large 9.40919850314354
+ 38.5645800820981 split increased to 2 itime 928389
itsplit 1
- acceleration/energy drift too large 3.10262433842975
- 10.6509109753339 split increased to 2 itime 676898
+ acceleration/energy drift too large 4.76092473844312
+ 22.0826209787343 split increased to 2 itime 928518
itsplit 1
- acceleration/energy drift too large 10.8623951163489
- 69.5898491294610 split increased to 2 itime 678300
+ acceleration/energy drift too large 5.08310445130870
+ 28.8011943712841 split increased to 2 itime 928698
itsplit 1
- acceleration/energy drift too large 2.52441412857642
- 12.9910731840389 split increased to 4 itime 678300
+ acceleration/energy drift too large 5.80923182526519
+ 19.9865900842357 split increased to 2 itime 928809
itsplit 1
- acceleration/energy drift too large 6.52804814000305
- 41.9147165499755 split increased to 2 itime 679552
+ acceleration/energy drift too large 5.05275172801476
+ 25.2725941418263 split increased to 2 itime 929248
itsplit 1
- acceleration/energy drift too large 5.40281236555388
- 19.2514326680344 split increased to 2 itime 679567
+ acceleration/energy drift too large 5.09103105832141
+ 15.0930332101291 split increased to 2 itime 929703
itsplit 1
- acceleration/energy drift too large 7.44131593506286
- 41.6093859695981 split increased to 2 itime 679651
+Velocities reset to random values, time 185999.80
+ acceleration/energy drift too large 4.64506418891334
+ 11.9026814324449 split increased to 2 itime 933499
itsplit 1
- acceleration/energy drift too large 5.90304691180671
- 32.8391081927771 split increased to 2 itime 679674
+ acceleration/energy drift too large 4.89490435290292
+ 12.4256492154126 split increased to 2 itime 933508
itsplit 1
- acceleration/energy drift too large 6.71109743673371
- 31.1593000749481 split increased to 2 itime 679676
+ acceleration/energy drift too large 11.5212392174343
+ 49.0721979383186 split increased to 2 itime 934307
itsplit 1
- acceleration/energy drift too large 2.73450640564816
- 12.8698419784926 split increased to 4 itime 679676
+ acceleration/energy drift too large 7.96207446992124
+ 15.3971126015964 split increased to 2 itime 934441
itsplit 1
- acceleration/energy drift too large 8.32782148441198
- 19.4817813475231 split increased to 2 itime 679885
+ acceleration/energy drift too large 5.18789351652513
+ 31.8563691834639 split increased to 2 itime 938672
itsplit 1
-Velocities reset to random values, time 135999.80
- acceleration/energy drift too large 3.83668976079277
- 19.2109693149152 split increased to 2 itime 680329
+ acceleration/energy drift too large 4.69739470897338
+ 19.5092742586902 split increased to 2 itime 938686
itsplit 1
- acceleration/energy drift too large 5.88609447897641
- 12.0648264981557 split increased to 2 itime 681431
+ acceleration/energy drift too large 11.1361674824060
+ 44.5748378770871 split increased to 2 itime 939647
itsplit 1
- acceleration/energy drift too large 5.86053054257781
- 33.8877650497518 split increased to 2 itime 681719
+ acceleration/energy drift too large 2.74764415959506
+ 11.0611121170992 split increased to 4 itime 939647
+ itsplit 2
+Velocities reset to random values, time 187999.80
+ acceleration/energy drift too large 2.27413896383589
+ 11.5024099975308 split increased to 2 itime 941508
itsplit 1
- acceleration/energy drift too large 6.52500619191552
- 20.7599067078987 split increased to 2 itime 682815
+ acceleration/energy drift too large 6.40475883836654
+ 19.1225403660707 split increased to 2 itime 943926
itsplit 1
- acceleration/energy drift too large 3.04880828463340
- 13.7398773015852 split increased to 2 itime 683020
+ acceleration/energy drift too large 4.46571535199885
+ 12.3810367292577 split increased to 2 itime 946426
itsplit 1
- acceleration/energy drift too large 6.69369321616485
- 13.9990975724032 split increased to 2 itime 683283
+ acceleration/energy drift too large 4.66958758076823
+ 19.0846618206654 split increased to 2 itime 948340
itsplit 1
- acceleration/energy drift too large 5.23618767133098
- 12.9703143621347 split increased to 2 itime 683312
+Velocities reset to random values, time 189999.80
+ acceleration/energy drift too large 4.87691136276983
+ 14.4578093291878 split increased to 2 itime 951179
itsplit 1
- acceleration/energy drift too large 3.47848308236124
- 10.8920710917359 split increased to 2 itime 683420
+ acceleration/energy drift too large 5.51055206171708
+ 16.7823616387057 split increased to 2 itime 951448
itsplit 1
- acceleration/energy drift too large 5.77425574531984
- 15.9321698489354 split increased to 2 itime 685001
+ acceleration/energy drift too large 4.80780851227342
+ 13.8720171936123 split increased to 2 itime 952275
itsplit 1
- acceleration/energy drift too large 4.78576434663960
- 18.9848114224845 split increased to 2 itime 685486
+ acceleration/energy drift too large 4.95496922715254
+ 14.4503327277080 split increased to 2 itime 954159
itsplit 1
- acceleration/energy drift too large 8.95051829270475
- 26.0985813353001 split increased to 2 itime 686410
+ acceleration/energy drift too large 4.87417505689391
+ 14.0978061532570 split increased to 2 itime 955139
itsplit 1
- acceleration/energy drift too large 5.27035803402023
- 13.8537643596133 split increased to 2 itime 686850
+ acceleration/energy drift too large 1.32913652719646
+ 12.0248997075978 split increased to 2 itime 955559
itsplit 1
- acceleration/energy drift too large 1.88185288139653
- 10.4752137226399 split increased to 2 itime 686982
+ acceleration/energy drift too large 4.94437217115836
+ 15.1485453190180 split increased to 2 itime 955816
itsplit 1
- acceleration/energy drift too large 11.9606352779224
- 57.7497909705213 split increased to 2 itime 687931
+ acceleration/energy drift too large 6.43614691215217
+ 21.6696205930902 split increased to 2 itime 956623
itsplit 1
- acceleration/energy drift too large 2.83487525808160
- 18.4142484922531 split increased to 4 itime 687931
+ acceleration/energy drift too large 4.25494956403097
+ 11.6022676388064 split increased to 2 itime 957405
itsplit 1
- acceleration/energy drift too large 1.92726508569327
- 14.2430931373822 split increased to 2 itime 688754
+ acceleration/energy drift too large 4.76867939612087
+ 11.3814293536384 split increased to 2 itime 958018
itsplit 1
-Velocities reset to random values, time 137999.80
- acceleration/energy drift too large 2.56681668890711
- 21.4948796680863 split increased to 2 itime 690006
+ acceleration/energy drift too large 8.84942061184892
+ 34.1755546882128 split increased to 2 itime 959420
itsplit 1
- acceleration/energy drift too large 5.99179532566691
- 26.7553438186719 split increased to 2 itime 690211
+ acceleration/energy drift too large 3.84994618386009
+ 15.8673493830940 split increased to 2 itime 959561
itsplit 1
- acceleration/energy drift too large 3.77067773605480
- 30.2275892304465 split increased to 2 itime 691436
+Velocities reset to random values, time 191999.80
+ acceleration/energy drift too large 8.51609012287771
+ 31.2851806537769 split increased to 2 itime 963053
itsplit 1
- acceleration/energy drift too large 4.27292919771583
- 10.4478680604994 split increased to 2 itime 692106
+ acceleration/energy drift too large 10.3565107371589
+ 51.5577138722102 split increased to 2 itime 963965
itsplit 1
- acceleration/energy drift too large 5.03333260400241
- 10.0274498767210 split increased to 2 itime 692207
+ acceleration/energy drift too large 1.95439585727398
+ 16.5425532816246 split increased to 2 itime 963966
itsplit 1
- acceleration/energy drift too large 3.20278003715589
- 11.5202100793791 split increased to 2 itime 692465
+ acceleration/energy drift too large 5.84603437431627
+ 16.6630630274481 split increased to 2 itime 964164
itsplit 1
- acceleration/energy drift too large 5.40751042129251
- 17.7742270714383 split increased to 2 itime 692791
+ acceleration/energy drift too large 4.60125269606814
+ 14.9317723579277 split increased to 2 itime 967356
itsplit 1
- acceleration/energy drift too large 4.94308070782740
- 29.5717274262642 split increased to 2 itime 692896
+ acceleration/energy drift too large 3.41607134380413
+ 11.1938277310468 split increased to 2 itime 968887
itsplit 1
- acceleration/energy drift too large 3.87741995325826
- 13.6294726409417 split increased to 2 itime 693298
+ acceleration/energy drift too large 9.05477707984093
+ 40.5892523854984 split increased to 2 itime 969426
itsplit 1
- acceleration/energy drift too large 7.98258418567227
- 29.1179350889020 split increased to 2 itime 693612
+ acceleration/energy drift too large 2.77507712893320
+ 10.1750067425536 split increased to 2 itime 969764
itsplit 1
- acceleration/energy drift too large 2.36914242216512
- 19.5036457789073 split increased to 2 itime 693685
+Velocities reset to random values, time 193999.80
+ acceleration/energy drift too large 8.57342296852187
+ 36.7722986794712 split increased to 2 itime 972239
itsplit 1
- acceleration/energy drift too large 5.69669794276481
- 40.6102684986143 split increased to 2 itime 694057
+ acceleration/energy drift too large 6.91064120278179
+ 18.0600009642599 split increased to 2 itime 972258
itsplit 1
- acceleration/energy drift too large 5.29315047918184
- 19.3889190534506 split increased to 2 itime 694116
+ acceleration/energy drift too large 6.48360577350393
+ 16.9829324245738 split increased to 2 itime 973342
itsplit 1
- acceleration/energy drift too large 3.52756650183848
- 16.7841416036274 split increased to 2 itime 694125
+ acceleration/energy drift too large 4.78972752386392
+ 10.6220153153136 split increased to 2 itime 973986
itsplit 1
- acceleration/energy drift too large 3.67691171695912
- 21.5675516107547 split increased to 2 itime 695307
+ acceleration/energy drift too large 3.28832108089874
+ 22.9509737252149 split increased to 2 itime 975801
itsplit 1
- acceleration/energy drift too large 10.8443086473719
- 56.1597685559824 split increased to 2 itime 695756
+ acceleration/energy drift too large 4.63706471648646
+ 11.9541075525664 split increased to 2 itime 976328
itsplit 1
- acceleration/energy drift too large 6.94299291214412
- 14.0161820417590 split increased to 2 itime 695932
+ acceleration/energy drift too large 7.30805720623818
+ 17.0680761034722 split increased to 2 itime 977449
itsplit 1
- acceleration/energy drift too large 5.19062647677710
- 12.6170613958460 split increased to 2 itime 696519
+ acceleration/energy drift too large 6.63698263551059
+ 14.8615448557323 split increased to 2 itime 978019
itsplit 1
- acceleration/energy drift too large 6.09415057912963
- 16.5106176715828 split increased to 2 itime 696932
+ acceleration/energy drift too large 5.67057160442331
+ 14.3906590101232 split increased to 2 itime 979815
itsplit 1
- acceleration/energy drift too large 3.05986622896694
- 11.3104934820040 split increased to 2 itime 697046
+Velocities reset to random values, time 195999.80
+ acceleration/energy drift too large 2.15180477706187
+ 15.5910126299132 split increased to 2 itime 980342
itsplit 1
- acceleration/energy drift too large 8.54028904963511
- 46.4148481767631 split increased to 2 itime 697320
+ acceleration/energy drift too large 4.99516807130371
+ 12.9013116454762 split increased to 2 itime 984051
itsplit 1
- acceleration/energy drift too large 5.69987716389526
- 31.7005497307753 split increased to 2 itime 699002
+ acceleration/energy drift too large 4.18309973862553
+ 16.1730859230227 split increased to 2 itime 984907
itsplit 1
- acceleration/energy drift too large 6.46115438065238
- 13.6621065528287 split increased to 2 itime 699205
+ acceleration/energy drift too large 6.10995474218833
+ 24.8652003909388 split increased to 2 itime 985070
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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
- MIN ii_write= 1
- REMD gather times= 289.394531250000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
- REMD writing traj time= 3.906250000000000E-003
- NREP 16
-ACC 1 250.00000 0.42857 14
-ACC 2 260.00000 0.28571 14
-ACC 3 270.00000 0.64286 14
-ACC 4 280.00000 0.64286 14
-ACC 5 290.00000 0.71429 14
-ACC 6 300.00000 0.78571 14
-ACC 7 310.00000 0.71429 14
-ACC 8 320.00000 0.57143 14
-ACC 9 330.00000 0.71429 14
-ACC 10 340.00000 0.64286 14
-ACC 11 350.00000 0.78571 14
-ACC 12 360.00000 0.85714 14
-ACC 13 370.00000 0.71429 14
-ACC 14 380.00000 1.00000 14
-ACC 15 390.00000 0.92857 14
- REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 8.11720449887750
- 35.9480100658249 split increased to 2 itime 700837
- itsplit 1
- acceleration/energy drift too large 5.20286849453995
- 12.8545924301821 split increased to 2 itime 700972
- itsplit 1
- acceleration/energy drift too large 3.65116170912629
- 14.3466085630485 split increased to 2 itime 701242
- itsplit 1
- acceleration/energy drift too large 2.91870628148037
- 11.4368301937584 split increased to 2 itime 701344
- itsplit 1
- acceleration/energy drift too large 3.80146513655856
- 23.4488948333596 split increased to 2 itime 702310
- itsplit 1
- acceleration/energy drift too large 6.13751273749208
- 14.3244520265397 split increased to 2 itime 702326
- itsplit 1
- acceleration/energy drift too large 3.03443628466139
- 18.3422873181726 split increased to 2 itime 703114
- itsplit 1
- acceleration/energy drift too large 3.44391616236463
- 18.5905922480110 split increased to 2 itime 703490
- itsplit 1
- acceleration/energy drift too large 4.85689491137434
- 10.4491899217320 split increased to 2 itime 703885
- itsplit 1
- acceleration/energy drift too large 2.57350219389582
- 10.3015361013323 split increased to 2 itime 704065
- itsplit 1
- acceleration/energy drift too large 8.97585198007661
- 41.1269172966464 split increased to 2 itime 704832
- itsplit 1
- acceleration/energy drift too large 6.72849882921725
- 16.4846300918076 split increased to 2 itime 707001
- itsplit 1
- acceleration/energy drift too large 16.4469352140303
- 97.2940181309860 split increased to 2 itime 707127
- itsplit 1
- acceleration/energy drift too large 6.61555808148272
- 23.2879786306406 split increased to 2 itime 708229
- itsplit 1
- acceleration/energy drift too large 9.10617472573240
- 42.4662918953065 split increased to 2 itime 708329
- itsplit 1
- acceleration/energy drift too large 4.02172850170034
- 13.7115458243418 split increased to 2 itime 708521
- itsplit 1
- acceleration/energy drift too large 5.11370333388024
- 13.8433798174794 split increased to 2 itime 708774
- itsplit 1
- acceleration/energy drift too large 7.04000769985109
- 13.7544815544171 split increased to 2 itime 709858
- itsplit 1
-Velocities reset to random values, time 141999.80
- acceleration/energy drift too large 5.41956251847003
- 11.8718423596905 split increased to 2 itime 710179
- itsplit 1
- acceleration/energy drift too large 4.81696801389753
- 26.3718841761635 split increased to 2 itime 710750
- itsplit 1
- acceleration/energy drift too large 5.38576592170803
- 28.6667942437354 split increased to 2 itime 710936
- itsplit 1
- acceleration/energy drift too large 6.61411892544192
- 30.0768132868370 split increased to 2 itime 711316
- itsplit 1
- acceleration/energy drift too large 5.58278496491360
- 31.9213860315535 split increased to 2 itime 713478
- itsplit 1
- acceleration/energy drift too large 2.31104493200979
- 13.7926843226157 split increased to 2 itime 715117
- itsplit 1
- acceleration/energy drift too large 12.4344436210483
- 69.9848558146578 split increased to 2 itime 715463
- itsplit 1
- acceleration/energy drift too large 5.90543797327927
- 10.5072962885552 split increased to 2 itime 715686
- itsplit 1
- acceleration/energy drift too large 6.42985738275233
- 27.5992434588681 split increased to 2 itime 715718
- itsplit 1
- acceleration/energy drift too large 4.65908160790281
- 28.1598205863369 split increased to 2 itime 716098
- itsplit 1
- acceleration/energy drift too large 2.23121348824216
- 13.1518524731892 split increased to 2 itime 716145
- itsplit 1
- acceleration/energy drift too large 5.56272107748309
- 13.8763371375724 split increased to 2 itime 716363
- itsplit 1
- acceleration/energy drift too large 2.98462205643197
- 17.8720134155159 split increased to 2 itime 716884
- itsplit 1
- acceleration/energy drift too large 3.33009756929900
- 10.2609663529504 split increased to 2 itime 717177
- itsplit 1
- acceleration/energy drift too large 5.57847995984232
- 11.5085069218216 split increased to 2 itime 717572
- itsplit 1
- acceleration/energy drift too large 4.67674970316485
- 12.8904797847084 split increased to 2 itime 717756
- itsplit 1
- acceleration/energy drift too large 3.29465335465414
- 14.1381280155952 split increased to 2 itime 719911
- itsplit 1
-Velocities reset to random values, time 143999.80
- acceleration/energy drift too large 4.17876882041245
- 12.6188064936655 split increased to 2 itime 720634
- itsplit 1
- acceleration/energy drift too large 11.4380824747569
- 68.3078496706706 split increased to 2 itime 721232
- itsplit 1
- acceleration/energy drift too large 5.11039078682322
- 11.8668300255710 split increased to 2 itime 723487
- itsplit 1
- acceleration/energy drift too large 4.20128522536592
- 13.2073982530203 split increased to 2 itime 724395
- itsplit 1
- acceleration/energy drift too large 7.32910906097292
- 15.3965348106003 split increased to 2 itime 724995
- itsplit 1
- acceleration/energy drift too large 5.59800121191789
- 16.3143181601815 split increased to 2 itime 726181
- itsplit 1
- acceleration/energy drift too large 5.35721270345146
- 16.8490833272991 split increased to 2 itime 727235
- itsplit 1
- acceleration/energy drift too large 7.38290872145886
- 16.2037233603391 split increased to 2 itime 727292
- itsplit 1
- acceleration/energy drift too large 4.14860702237382
- 26.5630068950048 split increased to 4 itime 727292
- itsplit 2
-Velocities reset to random values, time 145999.80
- acceleration/energy drift too large 2.93984517309579
- 16.6782394655914 split increased to 2 itime 730311
- itsplit 1
- acceleration/energy drift too large 2.87219861895303
- 19.2097047407069 split increased to 2 itime 731608
- itsplit 1
- acceleration/energy drift too large 4.58372514549138
- 11.5546377752536 split increased to 2 itime 732658
- itsplit 1
- acceleration/energy drift too large 6.12112685378053
- 18.0574184678024 split increased to 2 itime 732661
- itsplit 1
- acceleration/energy drift too large 4.63558059761805
- 16.0132457848208 split increased to 2 itime 733127
- itsplit 1
- acceleration/energy drift too large 4.95334629856386
- 11.7491351593690 split increased to 2 itime 733757
- itsplit 1
- acceleration/energy drift too large 7.13269906841022
- 27.3481393944862 split increased to 2 itime 733784
- itsplit 1
- acceleration/energy drift too large 5.34162759775089
- 10.3869080051152 split increased to 2 itime 733867
- itsplit 1
- acceleration/energy drift too large 8.02238040168975
- 12.2542596578837 split increased to 2 itime 735302
- itsplit 1
- acceleration/energy drift too large 9.12264549381156
- 19.6528535756718 split increased to 2 itime 735337
- itsplit 1
- acceleration/energy drift too large 5.02297643618615
- 25.3981467102304 split increased to 2 itime 736573
- itsplit 1
- acceleration/energy drift too large 2.88742437039917
- 10.7222733878431 split increased to 2 itime 736574
- itsplit 1
- acceleration/energy drift too large 4.97219204837219
- 12.3981382578386 split increased to 2 itime 737065
- itsplit 1
- acceleration/energy drift too large 3.72757055319022
- 10.1054772523544 split increased to 2 itime 737335
- itsplit 1
- acceleration/energy drift too large 2.81868967659850
- 11.2431565642037 split increased to 2 itime 737675
- itsplit 1
- acceleration/energy drift too large 6.50604436404839
- 16.6885463296399 split increased to 2 itime 738314
- itsplit 1
- acceleration/energy drift too large 8.70774623624325
- 18.2012777646865 split increased to 2 itime 738546
- itsplit 1
- acceleration/energy drift too large 2.47782988433004
- 10.0135387853222 split increased to 2 itime 738712
- itsplit 1
- acceleration/energy drift too large 9.65720027644816
- 24.6737706627431 split increased to 2 itime 739966
- itsplit 1
-Velocities reset to random values, time 147999.80
- acceleration/energy drift too large 5.83490275310682
- 17.2734500308748 split increased to 2 itime 740293
- itsplit 1
- acceleration/energy drift too large 2.41967888178194
- 16.5005673295931 split increased to 2 itime 740294
- itsplit 1
- acceleration/energy drift too large 5.92684639184068
- 15.7753993440322 split increased to 2 itime 740501
- itsplit 1
- acceleration/energy drift too large 12.2378054799971
- 59.1222401237592 split increased to 2 itime 740859
- itsplit 1
- acceleration/energy drift too large 4.71147203452646
- 15.9378132209512 split increased to 2 itime 742086
- itsplit 1
- acceleration/energy drift too large 10.1241154141147
- 49.5651476664475 split increased to 2 itime 742230
- itsplit 1
- acceleration/energy drift too large 8.55238928648374
- 38.8082947300162 split increased to 2 itime 742508
- itsplit 1
- acceleration/energy drift too large 4.63291759153817
- 11.1657627033866 split increased to 2 itime 743021
- itsplit 1
- acceleration/energy drift too large 6.13868702936043
- 15.0285456202743 split increased to 2 itime 744307
- itsplit 1
- acceleration/energy drift too large 12.3268103576927
- 71.5848824410426 split increased to 2 itime 745411
- itsplit 1
- acceleration/energy drift too large 6.43333392431065
- 25.1487072571966 split increased to 2 itime 745503
- itsplit 1
- acceleration/energy drift too large 4.42890359526283
- 28.2654360317681 split increased to 2 itime 745910
- itsplit 1
- acceleration/energy drift too large 7.42291403604513
- 24.8953925887195 split increased to 2 itime 746575
- itsplit 1
- acceleration/energy drift too large 6.35426872326548
- 27.2522682659169 split increased to 2 itime 746750
- itsplit 1
- acceleration/energy drift too large 9.94254704370798
- 47.4011936929260 split increased to 2 itime 747315
- itsplit 1
- acceleration/energy drift too large 1.86492680196737
- 16.1965681695899 split increased to 2 itime 747316
- itsplit 1
-Velocities reset to random values, time 149999.80
- acceleration/energy drift too large 9.18073560331282
- 40.8131448443545 split increased to 2 itime 750272
- itsplit 1
- acceleration/energy drift too large 8.02506036965276
- 27.3447807980334 split increased to 2 itime 750382
- itsplit 1
- acceleration/energy drift too large 5.60951223725942
- 35.9614690629819 split increased to 2 itime 750508
- itsplit 1
- acceleration/energy drift too large 4.95595725865051
- 17.4492818381553 split increased to 2 itime 751304
- itsplit 1
- acceleration/energy drift too large 3.73181631291966
- 10.4755639424838 split increased to 2 itime 752293
- itsplit 1
- acceleration/energy drift too large 6.90583579822753
- 24.6091661110682 split increased to 2 itime 752848
- itsplit 1
- acceleration/energy drift too large 5.24105425922398
- 11.9415380346706 split increased to 2 itime 753876
- itsplit 1
- acceleration/energy drift too large 8.52361774962486
- 32.4861818878236 split increased to 2 itime 754187
- itsplit 1
- acceleration/energy drift too large 2.73130154577056
- 18.1237370995500 split increased to 2 itime 755400
- itsplit 1
- acceleration/energy drift too large 6.70424968925215
- 16.4283046687343 split increased to 2 itime 755767
- itsplit 1
- acceleration/energy drift too large 3.33215995949377
- 16.4680278816705 split increased to 2 itime 756496
- itsplit 1
- acceleration/energy drift too large 5.33228968024792
- 17.3087721044395 split increased to 2 itime 757093
- itsplit 1
- acceleration/energy drift too large 6.14438587743912
- 38.1088809303817 split increased to 2 itime 757895
- itsplit 1
- acceleration/energy drift too large 4.50686292909664
- 20.9265187146252 split increased to 2 itime 757896
- itsplit 1
- acceleration/energy drift too large 4.75898405283910
- 24.3325506372013 split increased to 2 itime 757945
- itsplit 1
- acceleration/energy drift too large 4.13289930847467
- 15.3431473940614 split increased to 2 itime 759483
- itsplit 1
- acceleration/energy drift too large 4.61127655077977
- 17.4779517495459 split increased to 2 itime 759498
- itsplit 1
- acceleration/energy drift too large 8.71369381594099
- 49.7366412149935 split increased to 2 itime 759632
- itsplit 1
-Velocities reset to random values, time 151999.80
- acceleration/energy drift too large 6.43580397827309
- 16.4233096795613 split increased to 2 itime 760152
- itsplit 1
- acceleration/energy drift too large 11.3122136603536
- 56.1496273279264 split increased to 2 itime 760332
- itsplit 1
- acceleration/energy drift too large 10.5746997896608
- 54.3289665205038 split increased to 2 itime 761220
- itsplit 1
- acceleration/energy drift too large 2.41838248175020
- 10.4293443716903 split increased to 4 itime 761220
- itsplit 1
- acceleration/energy drift too large 4.98992831216492
- 27.6345901284655 split increased to 2 itime 761240
- itsplit 1
- acceleration/energy drift too large 6.41191990956657
- 12.9059647831487 split increased to 2 itime 761412
- itsplit 1
- acceleration/energy drift too large 5.39856174090225
- 13.6998856578941 split increased to 2 itime 761745
- itsplit 1
- acceleration/energy drift too large 10.9372724975527
- 52.1245815935940 split increased to 2 itime 762041
- itsplit 1
- acceleration/energy drift too large 0.871225091661636
- 17.5098023455650 split increased to 2 itime 762042
- itsplit 1
- acceleration/energy drift too large 2.66028331637075
- 17.1256845723536 split increased to 2 itime 762933
- itsplit 1
- acceleration/energy drift too large 1.99596918528786
- 10.1375597393198 split increased to 2 itime 764429
- itsplit 1
- acceleration/energy drift too large 4.76122578243500
- 33.2316986484702 split increased to 2 itime 765387
- itsplit 1
- acceleration/energy drift too large 2.20348187658971
- 13.1574881122650 split increased to 2 itime 765565
- itsplit 1
- acceleration/energy drift too large 6.73122130913325
- 20.3494918023678 split increased to 2 itime 765762
- itsplit 1
- acceleration/energy drift too large 4.05257069096200
- 13.7211572297740 split increased to 2 itime 766130
- itsplit 1
- acceleration/energy drift too large 5.29862556826967
- 18.6732141953551 split increased to 2 itime 766149
- itsplit 1
- acceleration/energy drift too large 7.34969421196595
- 28.4653834893784 split increased to 2 itime 766196
- itsplit 1
- acceleration/energy drift too large 4.10560066737414
- 13.9493792661245 split increased to 2 itime 766322
- itsplit 1
- acceleration/energy drift too large 6.88546908694253
- 26.3549059304166 split increased to 2 itime 766694
- itsplit 1
- acceleration/energy drift too large 4.98283677444414
- 26.9657731682248 split increased to 2 itime 766871
- itsplit 1
- acceleration/energy drift too large 5.26777550871686
- 20.4828325361774 split increased to 2 itime 768135
- itsplit 1
- acceleration/energy drift too large 4.11280396191990
- 11.1876323328568 split increased to 2 itime 768926
- itsplit 1
- acceleration/energy drift too large 8.82345757363100
- 36.5298472303389 split increased to 2 itime 769591
- itsplit 1
-Velocities reset to random values, time 153999.80
- acceleration/energy drift too large 11.1910424687684
- 40.7188092355586 split increased to 2 itime 770235
- itsplit 1
- acceleration/energy drift too large 10.5854544304928
- 25.9528329783793 split increased to 2 itime 770726
- itsplit 1
- acceleration/energy drift too large 4.69032627165788
- 11.5541667518256 split increased to 2 itime 770731
- itsplit 1
- acceleration/energy drift too large 4.80943699344173
- 23.1316211490282 split increased to 2 itime 771598
- itsplit 1
- acceleration/energy drift too large 2.17229198486053
- 13.6663633568850 split increased to 2 itime 772197
- itsplit 1
- acceleration/energy drift too large 7.76051794799924
- 29.0857784015039 split increased to 2 itime 774249
- itsplit 1
- acceleration/energy drift too large 3.20373989756117
- 18.6902964243555 split increased to 4 itime 774249
- itsplit 1
- acceleration/energy drift too large 3.79313504265284
- 11.8255465091502 split increased to 2 itime 774655
- itsplit 1
- acceleration/energy drift too large 7.91957039254655
- 22.6103948475217 split increased to 2 itime 774855
- itsplit 1
- acceleration/energy drift too large 9.35138659701622
- 40.1408374545245 split increased to 2 itime 774986
- itsplit 1
- acceleration/energy drift too large 4.10039017596775
- 12.0957930486731 split increased to 2 itime 775749
- itsplit 1
- acceleration/energy drift too large 4.40218727179321
- 15.4243037897106 split increased to 2 itime 776727
- itsplit 1
- acceleration/energy drift too large 6.20964998360838
- 13.9519295998203 split increased to 2 itime 776745
- itsplit 1
- acceleration/energy drift too large 8.14494633948772
- 31.1615276441521 split increased to 2 itime 776813
- itsplit 1
- acceleration/energy drift too large 6.80920668896092
- 18.1177734149848 split increased to 2 itime 777058
- itsplit 1
- acceleration/energy drift too large 3.42789236439444
- 10.5155884635245 split increased to 2 itime 779369
- itsplit 1
- acceleration/energy drift too large 5.32212115567097
- 13.4852111934292 split increased to 2 itime 779490
- itsplit 1
-Velocities reset to random values, time 155999.80
- acceleration/energy drift too large 7.89059523579495
- 29.7824564856205 split increased to 2 itime 780514
- itsplit 1
- acceleration/energy drift too large 2.71836043120833
- 16.4688426410573 split increased to 2 itime 781975
- itsplit 1
- acceleration/energy drift too large 5.42582174827306
- 16.8035911065003 split increased to 2 itime 782225
- itsplit 1
- acceleration/energy drift too large 8.79604114949452
- 29.9117030853523 split increased to 2 itime 784403
- itsplit 1
- acceleration/energy drift too large 4.34478328475579
- 13.0516309207492 split increased to 2 itime 785038
- itsplit 1
- acceleration/energy drift too large 12.0267992958826
- 64.9158377959301 split increased to 2 itime 785502
- itsplit 1
- acceleration/energy drift too large 2.86927783949805
- 15.0302174377880 split increased to 4 itime 785502
- itsplit 2
- acceleration/energy drift too large 6.74416749588866
- 24.7782896947259 split increased to 2 itime 785868
- itsplit 1
- acceleration/energy drift too large 3.99836343483443
- 24.2067372343023 split increased to 2 itime 785966
- itsplit 1
- acceleration/energy drift too large 8.82858130530756
- 25.5700047616842 split increased to 2 itime 786111
- itsplit 1
- acceleration/energy drift too large 5.26427715361465
- 12.6662623681970 split increased to 2 itime 786136
- itsplit 1
- acceleration/energy drift too large 9.96173353016672
- 43.6827276596895 split increased to 2 itime 786329
- itsplit 1
- acceleration/energy drift too large 4.52902428315935
- 25.9415672960537 split increased to 2 itime 786588
- itsplit 1
- acceleration/energy drift too large 4.92084190225243
- 17.8031580601729 split increased to 2 itime 786765
- itsplit 1
- acceleration/energy drift too large 1.35539646830949
- 10.3713693132301 split increased to 2 itime 786881
- itsplit 1
- acceleration/energy drift too large 2.27825760356459
- 13.3588520840026 split increased to 2 itime 787466
- itsplit 1
- acceleration/energy drift too large 5.19137047009736
- 11.9724768790205 split increased to 2 itime 788231
- itsplit 1
- acceleration/energy drift too large 4.15474330978859
- 11.3954412117450 split increased to 2 itime 789090
- itsplit 1
-Velocities reset to random values, time 157999.80
- acceleration/energy drift too large 2.07413870656877
- 10.0887247025908 split increased to 2 itime 790839
- itsplit 1
- acceleration/energy drift too large 7.03703398252484
- 20.9053438238816 split increased to 2 itime 791459
- itsplit 1
- acceleration/energy drift too large 3.34588286521393
- 15.5168908264045 split increased to 2 itime 792734
- itsplit 1
- acceleration/energy drift too large 5.12104252925255
- 28.0971337976728 split increased to 2 itime 792914
- itsplit 1
- acceleration/energy drift too large 3.86619542414277
- 12.7648498051125 split increased to 2 itime 793586
- itsplit 1
- acceleration/energy drift too large 4.55321589755684
- 11.3463573333294 split increased to 2 itime 793865
- itsplit 1
- acceleration/energy drift too large 5.71154648315159
- 16.3890263704544 split increased to 2 itime 794091
- itsplit 1
- acceleration/energy drift too large 4.10128754379293
- 11.1876083265659 split increased to 2 itime 794172
- itsplit 1
- acceleration/energy drift too large 5.10858270950534
- 10.3132624488177 split increased to 2 itime 794243
- itsplit 1
- acceleration/energy drift too large 4.09453632971990
- 12.0594182273070 split increased to 2 itime 794372
- itsplit 1
- acceleration/energy drift too large 10.4882739446551
- 55.2994676774204 split increased to 2 itime 794866
- itsplit 1
- acceleration/energy drift too large 3.14512498490513
- 18.4241954271156 split increased to 2 itime 796099
- itsplit 1
- acceleration/energy drift too large 7.67277000254915
- 22.4377690971799 split increased to 2 itime 796173
- itsplit 1
- acceleration/energy drift too large 5.90764020005741
- 14.3886987817941 split increased to 2 itime 796453
- itsplit 1
- acceleration/energy drift too large 2.36630146620928
- 13.2441099504989 split increased to 2 itime 796454
- itsplit 1
- acceleration/energy drift too large 5.75106229184658
- 14.6408888372617 split increased to 2 itime 796582
- itsplit 1
- acceleration/energy drift too large 4.89563322388087
- 16.2882302874806 split increased to 2 itime 796962
- itsplit 1
- acceleration/energy drift too large 4.39014934673668
- 18.8559177610733 split increased to 2 itime 797056
- itsplit 1
- acceleration/energy drift too large 6.45080488641976
- 15.9675085022738 split increased to 2 itime 797057
- itsplit 1
- acceleration/energy drift too large 8.70225101762707
- 29.8320767651172 split increased to 2 itime 797127
- itsplit 1
- acceleration/energy drift too large 4.77883556629849
- 12.6676495324686 split increased to 2 itime 797259
- itsplit 1
- acceleration/energy drift too large 3.97847034476097
- 17.9089733006466 split increased to 2 itime 797870
- itsplit 1
- acceleration/energy drift too large 13.9046206736496
- 82.0800534834106 split increased to 2 itime 799043
- 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
- MIN ii_write= 1
- REMD gather times= 330.421875000000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
- REMD writing traj time= 3.906250000000000E-003
- NREP 16
-ACC 1 250.00000 0.37500 16
-ACC 2 260.00000 0.31250 16
-ACC 3 270.00000 0.62500 16
-ACC 4 280.00000 0.68750 16
-ACC 5 290.00000 0.75000 16
-ACC 6 300.00000 0.75000 16
-ACC 7 310.00000 0.75000 16
-ACC 8 320.00000 0.56250 16
-ACC 9 330.00000 0.75000 16
-ACC 10 340.00000 0.56250 16
-ACC 11 350.00000 0.75000 16
-ACC 12 360.00000 0.87500 16
-ACC 13 370.00000 0.75000 16
-ACC 14 380.00000 1.00000 16
-ACC 15 390.00000 0.87500 16
- REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 10.1858531917160
- 49.9919055433977 split increased to 2 itime 800546
- itsplit 1
- acceleration/energy drift too large 6.61474356672286
- 18.3511876009471 split increased to 2 itime 802527
- itsplit 1
- acceleration/energy drift too large 5.21083478084351
- 10.3681522438434 split increased to 2 itime 804118
- itsplit 1
- acceleration/energy drift too large 4.36692923036785
- 25.4941574775791 split increased to 2 itime 805344
- itsplit 1
- acceleration/energy drift too large 4.79987247340460
- 11.6800415168608 split increased to 2 itime 805409
- itsplit 1
- acceleration/energy drift too large 3.30152052270426
- 14.7276305437980 split increased to 2 itime 805757
- itsplit 1
- acceleration/energy drift too large 4.00801745839127
- 28.3955531769657 split increased to 2 itime 807191
- itsplit 1
- acceleration/energy drift too large 5.21173836606324
- 12.2168054952948 split increased to 2 itime 808236
- itsplit 1
- acceleration/energy drift too large 2.76797011334551
- 11.2865727348839 split increased to 2 itime 808237
- itsplit 1
- acceleration/energy drift too large 11.0079970507706
- 52.8200178425537 split increased to 2 itime 808820
- itsplit 1
-Velocities reset to random values, time 161999.80
- acceleration/energy drift too large 3.35046415160692
- 10.4383116816673 split increased to 2 itime 811809
- itsplit 1
- acceleration/energy drift too large 4.55862164829432
- 12.5028868093941 split increased to 2 itime 812396
- itsplit 1
- acceleration/energy drift too large 6.27634706559778
- 35.6139263812836 split increased to 2 itime 812922
- itsplit 1
- acceleration/energy drift too large 3.83550076493065
- 11.6014717005044 split increased to 2 itime 812946
- itsplit 1
- acceleration/energy drift too large 4.61436679818368
- 23.1127673739172 split increased to 2 itime 813170
- itsplit 1
- acceleration/energy drift too large 6.39564402444074
- 40.2069995174404 split increased to 2 itime 814544
- itsplit 1
- acceleration/energy drift too large 4.10887449328207
- 10.8941575395608 split increased to 2 itime 815618
- itsplit 1
- acceleration/energy drift too large 11.7745541114932
- 72.0105161904506 split increased to 2 itime 815631
- itsplit 1
- acceleration/energy drift too large 2.28214975501604
- 11.8708049838113 split increased to 4 itime 815631
- itsplit 2
- acceleration/energy drift too large 4.75834098985964
- 28.5794833996746 split increased to 2 itime 815802
- itsplit 1
- acceleration/energy drift too large 6.44938426589426
- 26.3602793948603 split increased to 2 itime 816021
- itsplit 1
- acceleration/energy drift too large 3.72090282647722
- 11.1383410967662 split increased to 2 itime 816082
- itsplit 1
- acceleration/energy drift too large 4.80507441603727
- 12.2874470750706 split increased to 2 itime 816890
- itsplit 1
- acceleration/energy drift too large 5.59374898201894
- 14.1866285962887 split increased to 2 itime 817194
- itsplit 1
- acceleration/energy drift too large 4.29296785944024
- 10.3657773872582 split increased to 2 itime 817224
- itsplit 1
- acceleration/energy drift too large 3.84651600551193
- 12.7341021194992 split increased to 2 itime 818387
- itsplit 1
- acceleration/energy drift too large 2.22360495738591
- 14.0847637383396 split increased to 2 itime 818601
- itsplit 1
- acceleration/energy drift too large 5.16983473584117
- 11.2129225123064 split increased to 2 itime 818714
- itsplit 1
-Velocities reset to random values, time 163999.80
- acceleration/energy drift too large 8.97951013222568
- 14.8450933627680 split increased to 2 itime 821347
- itsplit 1
- acceleration/energy drift too large 10.7281184582967
- 44.0727871101872 split increased to 2 itime 821714
- itsplit 1
- acceleration/energy drift too large 4.51341949115924
- 16.7004237366531 split increased to 2 itime 821890
- itsplit 1
- acceleration/energy drift too large 5.52141665366594
- 23.8090023103709 split increased to 2 itime 822026
- itsplit 1
- acceleration/energy drift too large 4.42315563535048
- 20.4081954978863 split increased to 2 itime 822360
- itsplit 1
- acceleration/energy drift too large 4.43118357066480
- 17.6242038569295 split increased to 2 itime 822949
- itsplit 1
- acceleration/energy drift too large 4.45232538918048
- 22.7001080092999 split increased to 2 itime 823754
- itsplit 1
- acceleration/energy drift too large 4.31179799890165
- 21.8605874214936 split increased to 2 itime 823963
- itsplit 1
- acceleration/energy drift too large 6.27097032162734
- 17.3929106261447 split increased to 2 itime 825274
- itsplit 1
- acceleration/energy drift too large 16.1231050188181
- 88.9445794602708 split increased to 2 itime 825453
- itsplit 1
- acceleration/energy drift too large 5.06534911294876
- 30.7306392610330 split increased to 2 itime 826381
- itsplit 1
- acceleration/energy drift too large 6.66773689953335
- 21.1417291266588 split increased to 2 itime 828759
- itsplit 1
- acceleration/energy drift too large 4.69846345548895
- 14.2850723594923 split increased to 2 itime 828897
- itsplit 1
-Velocities reset to random values, time 165999.80
- acceleration/energy drift too large 9.10020872936095
- 36.8845664715708 split increased to 2 itime 833523
- itsplit 1
- acceleration/energy drift too large 2.10529538187782
- 10.3597285968010 split increased to 2 itime 834469
- itsplit 1
- acceleration/energy drift too large 5.10179818315932
- 21.0053173142724 split increased to 2 itime 835664
- itsplit 1
- acceleration/energy drift too large 4.10983826305805
- 24.6806120989868 split increased to 2 itime 835827
- itsplit 1
- acceleration/energy drift too large 5.15978255256110
- 18.4695534302812 split increased to 2 itime 835967
- itsplit 1
- acceleration/energy drift too large 5.80631599840364
- 25.3401051176140 split increased to 2 itime 836133
- itsplit 1
- acceleration/energy drift too large 3.76238538502701
- 10.6939381889576 split increased to 2 itime 836140
- itsplit 1
- acceleration/energy drift too large 4.71958085722966
- 15.9122227252988 split increased to 2 itime 839727
- itsplit 1
-Velocities reset to random values, time 167999.80
- acceleration/energy drift too large 4.26927082160644
- 15.5471866777299 split increased to 2 itime 840317
- itsplit 1
- acceleration/energy drift too large 4.71791412322011
- 14.1516194197991 split increased to 2 itime 841422
- itsplit 1
- acceleration/energy drift too large 7.80259106109826
- 38.9559636911525 split increased to 2 itime 843256
- itsplit 1
- acceleration/energy drift too large 6.24246610723308
- 23.1909798726841 split increased to 2 itime 846051
- itsplit 1
- acceleration/energy drift too large 5.42152683843393
- 36.4638939198863 split increased to 2 itime 846945
- itsplit 1
- acceleration/energy drift too large 2.72470774264122
- 10.1781621424218 split increased to 2 itime 848328
- itsplit 1
- acceleration/energy drift too large 2.98628975273830
- 11.5252323082825 split increased to 2 itime 848535
- itsplit 1
- acceleration/energy drift too large 7.59765432138732
- 36.0831963586074 split increased to 2 itime 849072
- itsplit 1
- acceleration/energy drift too large 7.11045682808745
- 16.0713168218446 split increased to 2 itime 849123
- itsplit 1
- acceleration/energy drift too large 1.76251954056545
- 10.6930352230154 split increased to 2 itime 849364
- itsplit 1
- acceleration/energy drift too large 9.39581665933674
- 47.1173070435289 split increased to 2 itime 849466
- itsplit 1
- acceleration/energy drift too large 2.48090034179985
- 11.0370189796659 split increased to 4 itime 849466
- itsplit 1
- acceleration/energy drift too large 4.85368603575384
- 26.1364330278783 split increased to 2 itime 849606
+ acceleration/energy drift too large 5.37838485287153
+ 20.6681682777983 split increased to 2 itime 985803
itsplit 1
- acceleration/energy drift too large 5.54226555254511
- 31.3092905996061 split increased to 2 itime 849695
+ acceleration/energy drift too large 6.47786813756541
+ 11.2236387252308 split increased to 2 itime 986211
itsplit 1
- acceleration/energy drift too large 3.70270590445924
- 10.3665933714424 split increased to 2 itime 849926
+ acceleration/energy drift too large 4.50953117326919
+ 10.2381949366250 split increased to 2 itime 988947
itsplit 1
-Velocities reset to random values, time 169999.80
- acceleration/energy drift too large 3.68185342994993
- 11.3821760217665 split increased to 2 itime 851041
- itsplit 1
- acceleration/energy drift too large 1.30272849302438
- 11.5255973493773 split increased to 2 itime 851510
- itsplit 1
- acceleration/energy drift too large 3.87880302633644
- 12.3183228758084 split increased to 2 itime 851778
- itsplit 1
- acceleration/energy drift too large 5.33004720940022
- 15.5440018808535 split increased to 2 itime 851819
- itsplit 1
- acceleration/energy drift too large 3.41304475117642
- 11.2777203505534 split increased to 2 itime 854377
- itsplit 1
- acceleration/energy drift too large 2.27500270613526
- 15.9377053001000 split increased to 2 itime 855018
- itsplit 1
- acceleration/energy drift too large 10.2867316676197
- 36.7553411283993 split increased to 2 itime 855060
- itsplit 1
- acceleration/energy drift too large 6.24895785298984
- 15.6085990016604 split increased to 2 itime 855349
- itsplit 1
- acceleration/energy drift too large 5.90725842630384
- 39.0462466429432 split increased to 2 itime 855571
- itsplit 1
- acceleration/energy drift too large 3.79779225813693
- 15.5739170626962 split increased to 2 itime 856361
- itsplit 1
- acceleration/energy drift too large 4.28449275870720
- 19.6576330725434 split increased to 2 itime 857531
- itsplit 1
- acceleration/energy drift too large 6.62333786343115
- 12.6131954903391 split increased to 2 itime 858035
- itsplit 1
- acceleration/energy drift too large 6.43179702188010
- 16.1897983967648 split increased to 2 itime 858155
- itsplit 1
- acceleration/energy drift too large 8.11650383037319
- 15.6602078767251 split increased to 2 itime 858432
- itsplit 1
- acceleration/energy drift too large 6.35903095929199
- 23.4297110756282 split increased to 2 itime 858761
- itsplit 1
- acceleration/energy drift too large 2.37405421642417
- 15.1472486608351 split increased to 2 itime 858924
- itsplit 1
- acceleration/energy drift too large 6.09358470738852
- 10.9077721929170 split increased to 2 itime 859471
- itsplit 1
-Velocities reset to random values, time 171999.80
- acceleration/energy drift too large 2.99205006305992
- 10.2350419819350 split increased to 2 itime 860018
- itsplit 1
- acceleration/energy drift too large 3.40837723928827
- 25.7902701486737 split increased to 2 itime 860135
- itsplit 1
- acceleration/energy drift too large 7.62635741992279
- 31.4351267351660 split increased to 2 itime 860901
- itsplit 1
- acceleration/energy drift too large 6.93431461412510
- 15.1613228587910 split increased to 2 itime 861303
- itsplit 1
- acceleration/energy drift too large 1.00987298164245
- 10.3397339799149 split increased to 2 itime 861995
- itsplit 1
- acceleration/energy drift too large 4.16853171169325
- 13.0027043121091 split increased to 2 itime 863287
- itsplit 1
- acceleration/energy drift too large 3.41312242463000
- 11.5196222844960 split increased to 2 itime 865038
- itsplit 1
- acceleration/energy drift too large 13.0330892078029
- 57.0795780246197 split increased to 2 itime 868783
- itsplit 1
- acceleration/energy drift too large 2.12413786848346
- 10.0067532313556 split increased to 2 itime 868784
- itsplit 1
-Velocities reset to random values, time 173999.80
- acceleration/energy drift too large 4.48316920487698
- 15.3642270727834 split increased to 2 itime 870014
- itsplit 1
- acceleration/energy drift too large 5.46663248460850
- 17.7620124333731 split increased to 2 itime 870462
- itsplit 1
- acceleration/energy drift too large 3.68493117330259
- 15.0465686409301 split increased to 2 itime 871407
- itsplit 1
- acceleration/energy drift too large 6.64682869143959
- 24.9070890424714 split increased to 2 itime 871529
- itsplit 1
- acceleration/energy drift too large 5.14654974865849
- 29.8324859553264 split increased to 2 itime 871817
- itsplit 1
- acceleration/energy drift too large 8.42810352971725
- 17.9736890336102 split increased to 2 itime 872861
- itsplit 1
- acceleration/energy drift too large 8.05814780717397
- 30.6379757016150 split increased to 2 itime 874388
- itsplit 1
- acceleration/energy drift too large 8.33355163012773
- 38.3922122885332 split increased to 2 itime 874537
- itsplit 1
- acceleration/energy drift too large 4.68644641701786
- 16.0673717023889 split increased to 2 itime 876317
- itsplit 1
- acceleration/energy drift too large 5.54838238836925
- 10.2436358313971 split increased to 2 itime 876597
- itsplit 1
- acceleration/energy drift too large 5.00469925291067
- 27.3154930108518 split increased to 2 itime 877533
- itsplit 1
- acceleration/energy drift too large 5.59046583329068
- 26.8590207082939 split increased to 2 itime 877548
- itsplit 1
- acceleration/energy drift too large 5.48771666783080
- 28.7019627916702 split increased to 2 itime 878543
- itsplit 1
- acceleration/energy drift too large 3.73201268096728
- 11.0757880270104 split increased to 2 itime 878693
- itsplit 1
- acceleration/energy drift too large 9.05475934756846
- 37.2516124384736 split increased to 2 itime 878702
- itsplit 1
- acceleration/energy drift too large 5.05447404120733
- 25.2698507175826 split increased to 2 itime 879010
- itsplit 1
-Velocities reset to random values, time 175999.80
- acceleration/energy drift too large 9.75728425299078
- 41.0870040318110 split increased to 2 itime 881324
- itsplit 1
- acceleration/energy drift too large 4.47116429398335
- 14.1341879857286 split increased to 2 itime 881606
- itsplit 1
- acceleration/energy drift too large 5.64122344751255
- 18.8058428574082 split increased to 2 itime 881685
- itsplit 1
- acceleration/energy drift too large 3.38201272748284
- 14.2758439607364 split increased to 2 itime 881738
- itsplit 1
- acceleration/energy drift too large 6.24012822934427
- 18.0100837224270 split increased to 2 itime 882462
- itsplit 1
- acceleration/energy drift too large 8.07778553109738
- 25.6531995482950 split increased to 2 itime 882553
- itsplit 1
- acceleration/energy drift too large 9.02012689384697
- 45.8986493682498 split increased to 2 itime 883151
- itsplit 1
- acceleration/energy drift too large 4.38698856093318
- 13.0492338203838 split increased to 2 itime 883152
- itsplit 1
- acceleration/energy drift too large 3.77344730739846
- 31.4190984399745 split increased to 2 itime 883483
- itsplit 1
- acceleration/energy drift too large 6.64034466081295
- 13.3128353634422 split increased to 2 itime 883906
- itsplit 1
- acceleration/energy drift too large 2.99139857812002
- 11.1499735253225 split increased to 2 itime 883907
- itsplit 1
- acceleration/energy drift too large 4.24537943309958
- 18.7215985233019 split increased to 2 itime 883926
- itsplit 1
- acceleration/energy drift too large 4.81741301780442
- 20.8858375981111 split increased to 2 itime 884371
- itsplit 1
- acceleration/energy drift too large 6.52081369720799
- 24.9620853130424 split increased to 2 itime 884974
- itsplit 1
- acceleration/energy drift too large 0.263370944738246
- 12.0317858012129 split increased to 2 itime 884975
- itsplit 1
- acceleration/energy drift too large 3.98878456038785
- 13.0035973568009 split increased to 2 itime 885542
- itsplit 1
- acceleration/energy drift too large 3.18261729071186
- 11.0608343884385 split increased to 2 itime 885578
- itsplit 1
- acceleration/energy drift too large 4.92939709666047
- 18.2408544479708 split increased to 2 itime 885837
- itsplit 1
- acceleration/energy drift too large 4.34515561364903
- 13.1606681215121 split increased to 2 itime 886867
- itsplit 1
- acceleration/energy drift too large 4.64805771470019
- 28.0828383580426 split increased to 2 itime 887096
- itsplit 1
- acceleration/energy drift too large 5.31018609394849
- 32.0949137523407 split increased to 2 itime 889001
- itsplit 1
- acceleration/energy drift too large 6.82513543801012
- 23.6627509990968 split increased to 2 itime 889901
- itsplit 1
- acceleration/energy drift too large 10.9629338214056
- 58.8838096980452 split increased to 2 itime 889927
- itsplit 1
-Velocities reset to random values, time 177999.80
- acceleration/energy drift too large 4.36779603957700
- 24.8966689634780 split increased to 2 itime 890498
- itsplit 1
- acceleration/energy drift too large 4.47372517857774
- 19.6760890913935 split increased to 2 itime 890596
- itsplit 1
- acceleration/energy drift too large 4.14351180458100
- 10.4511039981667 split increased to 2 itime 890712
- itsplit 1
- acceleration/energy drift too large 10.2963683940520
- 45.2861029725464 split increased to 2 itime 890950
- itsplit 1
- acceleration/energy drift too large 8.00597792217140
- 28.6236925691628 split increased to 2 itime 892274
- itsplit 1
- acceleration/energy drift too large 5.02319824980618
- 10.7412013842596 split increased to 2 itime 892567
- itsplit 1
- acceleration/energy drift too large 5.66486812447466
- 21.2749068812215 split increased to 2 itime 892592
- itsplit 1
- acceleration/energy drift too large 5.81284141455630
- 28.0663381368691 split increased to 2 itime 893061
- itsplit 1
- acceleration/energy drift too large 4.30815622737141
- 15.5949203230660 split increased to 2 itime 893492
- itsplit 1
- acceleration/energy drift too large 12.1819107276745
- 65.0361040217672 split increased to 2 itime 893925
- itsplit 1
- acceleration/energy drift too large 7.80254918281608
- 14.5743526834994 split increased to 2 itime 894184
- itsplit 1
- acceleration/energy drift too large 3.90420148861399
- 18.7112169089617 split increased to 2 itime 894537
- itsplit 1
- acceleration/energy drift too large 8.09224840033428
- 23.0036447957748 split increased to 2 itime 894588
- itsplit 1
- acceleration/energy drift too large 5.75108790283350
- 22.1618084409864 split increased to 2 itime 895492
- itsplit 1
- acceleration/energy drift too large 8.08098119782837
- 32.6098455266172 split increased to 2 itime 897411
- itsplit 1
- acceleration/energy drift too large 2.27046515056975
- 12.9209978044190 split increased to 2 itime 897412
- itsplit 1
- acceleration/energy drift too large 2.81204518953327
- 10.7801647430719 split increased to 2 itime 897898
- itsplit 1
- acceleration/energy drift too large 6.00422851541804
- 18.6321947426595 split increased to 2 itime 898369
- itsplit 1
- acceleration/energy drift too large 6.13140200018052
- 10.2266616808305 split increased to 2 itime 899966
- 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
- MIN ii_write= 1
- REMD gather times= 373.199218750000 0.000000000000000E+000
- REMD writing rst time= 3.906250000000000E-003
- REMD writing traj time= 3.906250000000000E-003
- NREP 16
-ACC 1 250.00000 0.38889 18
-ACC 2 260.00000 0.27778 18
-ACC 3 270.00000 0.61111 18
-ACC 4 280.00000 0.66667 18
-ACC 5 290.00000 0.77778 18
-ACC 6 300.00000 0.72222 18
-ACC 7 310.00000 0.66667 18
-ACC 8 320.00000 0.61111 18
-ACC 9 330.00000 0.72222 18
-ACC 10 340.00000 0.55556 18
-ACC 11 350.00000 0.77778 18
-ACC 12 360.00000 0.88889 18
-ACC 13 370.00000 0.72222 18
-ACC 14 380.00000 1.00000 18
-ACC 15 390.00000 0.88889 18
- REMD scatter time= 0.000000000000000E+000
- REMD exchange time= 7.812500000000000E-003
- acceleration/energy drift too large 4.93437115929913
- 15.0101778190027 split increased to 2 itime 901458
- itsplit 1
- acceleration/energy drift too large 6.23402609252654
- 14.4562536827666 split increased to 2 itime 902306
- itsplit 1
- acceleration/energy drift too large 2.99968056491140
- 20.4446159912064 split increased to 2 itime 902468
- itsplit 1
- acceleration/energy drift too large 3.58446877753617
- 10.2761800414219 split increased to 2 itime 904271
- itsplit 1
- acceleration/energy drift too large 4.00651805994318
- 22.1471642208457 split increased to 2 itime 906132
- itsplit 1
- acceleration/energy drift too large 4.85938913669745
- 14.5226291007124 split increased to 2 itime 906133
- itsplit 1
- acceleration/energy drift too large 4.80027462530083
- 16.3990832941431 split increased to 2 itime 906140
- itsplit 1
- acceleration/energy drift too large 4.29442321794351
- 17.7722159592652 split increased to 2 itime 906286
- itsplit 1
- acceleration/energy drift too large 3.08903550090499
- 12.5731053522371 split increased to 2 itime 906287
- itsplit 1
- acceleration/energy drift too large 6.80185232783696
- 27.1935372158233 split increased to 2 itime 907678
- itsplit 1
- acceleration/energy drift too large 3.87821223950876
- 22.7963857622274 split increased to 2 itime 908163
- itsplit 1
- acceleration/energy drift too large 3.83402775545744
- 11.3250287229579 split increased to 2 itime 908164
- itsplit 1
- acceleration/energy drift too large 3.35094012711318
- 16.4693126884373 split increased to 2 itime 908232
- itsplit 1
- acceleration/energy drift too large 6.30726425217768
- 19.7459594678826 split increased to 2 itime 908549
- itsplit 1
- acceleration/energy drift too large 5.07988741659012
- 17.6543755976998 split increased to 2 itime 908770
- itsplit 1
- acceleration/energy drift too large 2.30347111871892
- 10.3511918379433 split increased to 2 itime 909562
- itsplit 1
- acceleration/energy drift too large 4.22646771764469
- 20.1576902483019 split increased to 2 itime 909591
- itsplit 1
- acceleration/energy drift too large 5.47939704292618
- 22.8704872452274 split increased to 2 itime 909731
- itsplit 1
-Velocities reset to random values, time 181999.80
- acceleration/energy drift too large 5.09467054175795
- 26.3969122856032 split increased to 2 itime 910687
- itsplit 1
- acceleration/energy drift too large 5.67033361430972
- 25.6818534970529 split increased to 2 itime 910770
- itsplit 1
- acceleration/energy drift too large 4.99579558348459
- 24.0473705823683 split increased to 2 itime 910798
- itsplit 1
- acceleration/energy drift too large 3.86536720461861
- 21.5771872582344 split increased to 2 itime 913346
- itsplit 1
- acceleration/energy drift too large 3.44077645781660
- 10.2419034181596 split increased to 2 itime 913372
- itsplit 1
- acceleration/energy drift too large 5.28482377800547
- 32.3645650565124 split increased to 2 itime 913588
- itsplit 1
- acceleration/energy drift too large 13.4909664207648
- 69.4081346804915 split increased to 2 itime 915749
- itsplit 1
- acceleration/energy drift too large 12.1372326604667
- 65.6913078401244 split increased to 2 itime 916042
- itsplit 1
- acceleration/energy drift too large 4.40131450822704
- 22.1495751135271 split increased to 2 itime 916232
- itsplit 1
- acceleration/energy drift too large 10.2989448147296
- 51.9670279406022 split increased to 2 itime 917267
- itsplit 1
- acceleration/energy drift too large 3.88462128949334
- 12.4411002466979 split increased to 2 itime 917627
+ acceleration/energy drift too large 6.74986184599623
+ 38.1406487957218 split increased to 2 itime 989437
itsplit 1
- acceleration/energy drift too large 5.31411568143583
- 15.7333203477963 split increased to 2 itime 917720
- itsplit 1
- acceleration/energy drift too large 3.66157513459153
- 12.5476649583374 split increased to 2 itime 917968
- itsplit 1
- acceleration/energy drift too large 5.70706498520026
- 16.5581569994549 split increased to 2 itime 918387
- itsplit 1
-Velocities reset to random values, time 183999.80
- acceleration/energy drift too large 5.56429193417560
- 29.3175208962556 split increased to 2 itime 920148
- itsplit 1
- acceleration/energy drift too large 6.64284676109226
- 40.1256986281886 split increased to 2 itime 920893
- itsplit 1
- acceleration/energy drift too large 4.38787227250577
- 21.6276639104141 split increased to 2 itime 921366
- itsplit 1
- acceleration/energy drift too large 3.19740832964449
- 10.1014459500854 split increased to 2 itime 921375
- itsplit 1
- acceleration/energy drift too large 7.38527854588811
- 29.6312062575902 split increased to 2 itime 921552
- itsplit 1
- acceleration/energy drift too large 0.438305168966215
- 10.5232281253846 split increased to 2 itime 921553
- itsplit 1
- acceleration/energy drift too large 1.58109993029180
- 14.7565363565881 split increased to 2 itime 921769
- itsplit 1
- acceleration/energy drift too large 5.67760329803003
- 22.2165147218619 split increased to 2 itime 922374
- itsplit 1
- acceleration/energy drift too large 12.2130329960643
- 70.1010473279690 split increased to 2 itime 922481
- itsplit 1
- acceleration/energy drift too large 8.60481415122008
- 31.1592249184065 split increased to 2 itime 923609
- itsplit 1
- acceleration/energy drift too large 8.23813611453226
- 32.1689412432831 split increased to 2 itime 923896
- itsplit 1
- acceleration/energy drift too large 1.06703222250487
- 13.4953480246859 split increased to 2 itime 923897
- itsplit 1
- acceleration/energy drift too large 4.12304869493284
- 15.3307047070699 split increased to 2 itime 924596
- itsplit 1
- acceleration/energy drift too large 9.22935151192767
- 47.5203519308285 split increased to 2 itime 925930
- itsplit 1
- acceleration/energy drift too large 4.29060269682502
- 21.6584126945005 split increased to 2 itime 926384
- itsplit 1
- acceleration/energy drift too large 3.72724613327602
- 11.7006581107728 split increased to 2 itime 926784
- itsplit 1
- acceleration/energy drift too large 9.90482414129620
- 32.5056758649788 split increased to 2 itime 927004
- itsplit 1
- acceleration/energy drift too large 4.68488846071996
- 19.5894347673683 split increased to 2 itime 927131
- itsplit 1
- acceleration/energy drift too large 5.79449162997045
- 15.0490214221326 split increased to 2 itime 927860
- itsplit 1
- acceleration/energy drift too large 3.80198701355842
- 14.4179139400938 split increased to 2 itime 927922
- itsplit 1
- acceleration/energy drift too large 5.33716600225005
- 10.5087033948092 split increased to 2 itime 927964
- itsplit 1
- acceleration/energy drift too large 4.71105565978845
- 15.7922639658713 split increased to 2 itime 928961
- itsplit 1
- acceleration/energy drift too large 6.08600055206621
- 21.4112799856860 split increased to 2 itime 929176
- itsplit 1
-Velocities reset to random values, time 185999.80
- acceleration/energy drift too large 4.47317438085271
- 13.9918727493533 split increased to 2 itime 930716
- itsplit 1
- acceleration/energy drift too large 7.61542398160146
- 20.9377285698323 split increased to 2 itime 930936
- itsplit 1
- acceleration/energy drift too large 5.84231354053295
- 11.9979614683458 split increased to 2 itime 931112
- itsplit 1
- acceleration/energy drift too large 5.14036544416182
- 13.2956735478108 split increased to 2 itime 931812
- itsplit 1
- acceleration/energy drift too large 12.4085325018450
- 72.9235885011681 split increased to 2 itime 931956
- itsplit 1
- acceleration/energy drift too large 4.25445784132679
- 19.7286268432905 split increased to 2 itime 931988
- itsplit 1
- acceleration/energy drift too large 9.30921243877480
- 40.2095483022950 split increased to 2 itime 932199
- itsplit 1
- acceleration/energy drift too large 7.35008464542795
- 21.7813388810560 split increased to 2 itime 932200
- itsplit 1
- acceleration/energy drift too large 1.48243780969227
- 10.6102583561273 split increased to 2 itime 932201
- itsplit 1
- acceleration/energy drift too large 4.25633512692957
- 12.1440705603712 split increased to 2 itime 933754
- itsplit 1
- acceleration/energy drift too large 8.99919094893868
- 36.5826445520266 split increased to 2 itime 933767
- itsplit 1
- acceleration/energy drift too large 4.68498523088640
- 21.4274055628450 split increased to 2 itime 934373
- itsplit 1
- acceleration/energy drift too large 3.72150962358112
- 14.6551097639788 split increased to 2 itime 935499
- itsplit 1
- acceleration/energy drift too large 2.96165562232275
- 12.8539171781291 split increased to 2 itime 935923
- itsplit 1
- acceleration/energy drift too large 3.03855160784851
- 12.5300022063457 split increased to 2 itime 937073
- itsplit 1
- acceleration/energy drift too large 7.60834068261137
- 19.2801094092748 split increased to 2 itime 937329
- itsplit 1
- acceleration/energy drift too large 3.91825253642270
- 10.5284529658647 split increased to 2 itime 937379
- itsplit 1
- acceleration/energy drift too large 12.8377656694859
- 66.2483337549252 split increased to 2 itime 939014
- itsplit 1
- acceleration/energy drift too large 5.68191649703531
- 30.6533963098847 split increased to 2 itime 939506
- itsplit 1
-Velocities reset to random values, time 187999.80
- acceleration/energy drift too large 5.24740822173693
- 25.0947241812972 split increased to 2 itime 940152
- itsplit 1
- acceleration/energy drift too large 4.48255840922835
- 18.0958424953358 split increased to 2 itime 941590
- itsplit 1
- acceleration/energy drift too large 3.82879880331392
- 15.8016757913401 split increased to 2 itime 942863
- itsplit 1
- acceleration/energy drift too large 5.43918886244314
- 27.8890555309109 split increased to 2 itime 943738
- itsplit 1
- acceleration/energy drift too large 4.19823988057940
- 14.1900815764153 split increased to 2 itime 944063
- itsplit 1
- acceleration/energy drift too large 3.10258815927535
- 10.8904351399417 split increased to 2 itime 945234
- itsplit 1
- acceleration/energy drift too large 1.95775952733817
- 11.5335341263733 split increased to 2 itime 946027
- itsplit 1
- acceleration/energy drift too large 7.69451164938157
- 32.3971720271101 split increased to 2 itime 946129
- itsplit 1
- acceleration/energy drift too large 3.78812930180239
- 13.0566190076797 split increased to 2 itime 946137
- itsplit 1
- acceleration/energy drift too large 3.34611334403611
- 11.0468787276732 split increased to 2 itime 946168
- itsplit 1
- acceleration/energy drift too large 6.02605362164031
- 12.0312683397919 split increased to 2 itime 946722
- itsplit 1
- acceleration/energy drift too large 6.01642971241327
- 12.9319001467940 split increased to 2 itime 946801
- itsplit 1
- acceleration/energy drift too large 5.04887898131533
- 10.1685634966359 split increased to 2 itime 947009
- itsplit 1
- acceleration/energy drift too large 5.16001033979912
- 14.4744643571712 split increased to 2 itime 947612
- itsplit 1
- acceleration/energy drift too large 4.07991984644002
- 23.3995076657738 split increased to 2 itime 947620
- itsplit 1
- acceleration/energy drift too large 4.11639392149935
- 12.9072302676626 split increased to 2 itime 948104
- itsplit 1
- acceleration/energy drift too large 3.04719165085300
- 13.1226507930868 split increased to 2 itime 948317
- itsplit 1
- acceleration/energy drift too large 5.09789646580244
- 10.0500170251243 split increased to 2 itime 948393
- itsplit 1
- acceleration/energy drift too large 5.45734651817151
- 15.8517923503394 split increased to 2 itime 949390
- itsplit 1
- acceleration/energy drift too large 11.4665036224663
- 62.6447240694330 split increased to 2 itime 949453
- itsplit 1
- acceleration/energy drift too large 4.08603411271666
- 11.2556477421009 split increased to 2 itime 949465
- itsplit 1
-Velocities reset to random values, time 189999.80
- acceleration/energy drift too large 5.85287446296466
- 14.9991102514819 split increased to 2 itime 950305
- itsplit 1
- acceleration/energy drift too large 3.71477119655034
- 16.3182533353808 split increased to 2 itime 950339
- itsplit 1
- acceleration/energy drift too large 2.83743387635930
- 16.8383827088342 split increased to 2 itime 951329
- itsplit 1
- acceleration/energy drift too large 3.90670326374004
- 15.3220640230232 split increased to 2 itime 953690
- itsplit 1
- acceleration/energy drift too large 2.62861239174918
- 10.7410202238117 split increased to 2 itime 954006
- itsplit 1
- acceleration/energy drift too large 8.86715714960890
- 32.9070869824575 split increased to 2 itime 954055
- itsplit 1
- acceleration/energy drift too large 7.22473560415109
- 28.6103141790460 split increased to 2 itime 954440
- itsplit 1
- acceleration/energy drift too large 5.30416133201391
- 11.4141641246531 split increased to 2 itime 954673
- itsplit 1
- acceleration/energy drift too large 5.94109047559299
- 20.8563622923526 split increased to 2 itime 956224
- itsplit 1
- acceleration/energy drift too large 10.6676691962792
- 54.2823662230696 split increased to 2 itime 956372
- itsplit 1
- acceleration/energy drift too large 3.11409700438409
- 11.9370765376507 split increased to 2 itime 956373
- itsplit 1
- acceleration/energy drift too large 9.99337950790110
- 50.6344725381340 split increased to 2 itime 957377
- itsplit 1
- acceleration/energy drift too large 8.76686080597280
- 33.1394526880058 split increased to 2 itime 957624
- itsplit 1
- acceleration/energy drift too large 4.83868928694961
- 15.2407387496088 split increased to 2 itime 959250
- itsplit 1
-Velocities reset to random values, time 191999.80
- acceleration/energy drift too large 6.42933846314199
- 10.8511750843030 split increased to 2 itime 960109
- itsplit 1
- acceleration/energy drift too large 3.75593246380607
- 11.3652767625915 split increased to 2 itime 961040
- itsplit 1
- acceleration/energy drift too large 4.06342056085148
- 13.0522576387192 split increased to 2 itime 961573
- itsplit 1
- acceleration/energy drift too large 1.89710333313758
- 13.1122808625410 split increased to 2 itime 963062
- itsplit 1
- acceleration/energy drift too large 4.23920866831200
- 11.4845842268528 split increased to 2 itime 963422
- itsplit 1
- acceleration/energy drift too large 5.35973488462845
- 24.8876589245069 split increased to 2 itime 964362
- itsplit 1
- acceleration/energy drift too large 14.6799926241109
- 91.7903279572226 split increased to 2 itime 964694
- itsplit 1
- acceleration/energy drift too large 5.85462317938537
- 24.4728598938659 split increased to 2 itime 966087
- itsplit 1
- acceleration/energy drift too large 6.67269614419787
- 23.6469460395627 split increased to 2 itime 966156
- itsplit 1
- acceleration/energy drift too large 4.52312566278489
- 13.0889079479931 split increased to 2 itime 966325
- itsplit 1
- acceleration/energy drift too large 5.47356410412379
- 18.2121923372165 split increased to 2 itime 969072
- itsplit 1
- acceleration/energy drift too large 6.46212752820196
- 21.4560259385226 split increased to 2 itime 969115
- itsplit 1
-Velocities reset to random values, time 193999.80
- acceleration/energy drift too large 7.59783226207096
- 20.3838446732889 split increased to 2 itime 970164
- itsplit 1
- acceleration/energy drift too large 7.68605738823907
- 25.7785069050754 split increased to 2 itime 971406
- itsplit 1
- acceleration/energy drift too large 3.34888668030859
- 20.1752881212538 split increased to 2 itime 972465
- itsplit 1
- acceleration/energy drift too large 3.56399452097903
- 12.8160196910087 split increased to 2 itime 972736
- itsplit 1
- acceleration/energy drift too large 4.82836545198027
- 13.2089217090868 split increased to 2 itime 972779
- itsplit 1
- acceleration/energy drift too large 5.97141397664501
- 15.1370584478844 split increased to 2 itime 976108
- itsplit 1
- acceleration/energy drift too large 10.5923629945406
- 71.9190696934368 split increased to 2 itime 978542
- itsplit 1
- acceleration/energy drift too large 5.88501413398793
- 13.5630053549221 split increased to 2 itime 978603
- itsplit 1
- acceleration/energy drift too large 4.63888612685780
- 13.1342235544612 split increased to 2 itime 979238
- itsplit 1
-Velocities reset to random values, time 195999.80
- acceleration/energy drift too large 6.60743137668364
- 16.6153955908116 split increased to 2 itime 980986
- itsplit 1
- acceleration/energy drift too large 7.92518090623341
- 30.3280729314424 split increased to 2 itime 981068
- itsplit 1
- acceleration/energy drift too large 4.94810485676927
- 11.0035827892719 split increased to 2 itime 981132
- itsplit 1
- acceleration/energy drift too large 8.33704383212318
- 26.4873381265814 split increased to 2 itime 981351
- itsplit 1
- acceleration/energy drift too large 2.45411157116396
- 14.4319185810067 split increased to 2 itime 981392
- itsplit 1
- acceleration/energy drift too large 5.06038857354386
- 18.0610226812088 split increased to 2 itime 981581
- itsplit 1
- acceleration/energy drift too large 5.31079782616808
- 19.5726040559181 split increased to 2 itime 983607
- itsplit 1
- acceleration/energy drift too large 5.12211749847086
- 31.0571937142762 split increased to 2 itime 983656
- itsplit 1
- acceleration/energy drift too large 3.46727590646042
- 10.4410338698411 split increased to 2 itime 983719
- itsplit 1
- acceleration/energy drift too large 5.15745027275192
- 14.3517863433870 split increased to 2 itime 984132
- itsplit 1
- acceleration/energy drift too large 5.60382704448450
- 33.8135120505602 split increased to 2 itime 984205
- itsplit 1
- acceleration/energy drift too large 10.7354551007698
- 41.0754013691474 split increased to 2 itime 984760
- itsplit 1
- acceleration/energy drift too large 4.13227015195393
- 13.2763627139170 split increased to 2 itime 986890
- itsplit 1
- acceleration/energy drift too large 5.24773554968488
- 20.4821532794208 split increased to 2 itime 987203
- itsplit 1
- acceleration/energy drift too large 2.72906214504816
- 13.2112571800807 split increased to 2 itime 987553
- itsplit 1
- acceleration/energy drift too large 6.78875247695467
- 10.8197900661571 split increased to 2 itime 987865
- itsplit 1
- acceleration/energy drift too large 3.08908612570232
- 17.0662214989227 split increased to 2 itime 988663
- itsplit 1
- acceleration/energy drift too large 2.12819697520283
- 10.9914915667223 split increased to 2 itime 988970
+ acceleration/energy drift too large 3.05586682844131
+ 14.6533057846227 split increased to 2 itime 989465
itsplit 1
Velocities reset to random values, time 197999.80
- acceleration/energy drift too large 5.31336084563101
- 20.1247269319571 split increased to 2 itime 993048
- itsplit 1
- acceleration/energy drift too large 4.01904876552316
- 15.3342747479772 split increased to 2 itime 994096
- itsplit 1
- acceleration/energy drift too large 8.31183759775714
- 33.8268155226665 split increased to 2 itime 994111
- itsplit 1
- acceleration/energy drift too large 6.01317140278755
- 10.7920252565202 split increased to 2 itime 995266
+ acceleration/energy drift too large 7.28658279620935
+ 27.1283450743741 split increased to 2 itime 990299
itsplit 1
- acceleration/energy drift too large 5.12941728574690
- 11.8982786194202 split increased to 2 itime 995668
+ acceleration/energy drift too large 5.74247445547823
+ 15.5650690443904 split increased to 2 itime 991006
itsplit 1
- acceleration/energy drift too large 5.57555697467394
- 19.4554076874888 split increased to 2 itime 995915
+ acceleration/energy drift too large 6.29556445663644
+ 18.4170510383811 split increased to 2 itime 992407
itsplit 1
- acceleration/energy drift too large 3.63926980681538
- 10.4007927953560 split increased to 2 itime 996505
+ acceleration/energy drift too large 8.47176310989947
+ 28.6653055426449 split increased to 2 itime 995217
itsplit 1
- acceleration/energy drift too large 2.74788309447201
- 11.3400041220690 split increased to 2 itime 996905
+ acceleration/energy drift too large 4.84497751633978
+ 16.2830959517259 split increased to 2 itime 997879
itsplit 1
- acceleration/energy drift too large 7.53816938717903
- 12.3424458674330 split increased to 2 itime 997275
+ acceleration/energy drift too large 3.61226458022945
+ 10.7417405920948 split increased to 2 itime 998715
itsplit 1
- acceleration/energy drift too large 5.59712098102105
- 14.9258324621881 split increased to 2 itime 999687
+ acceleration/energy drift too large 6.28375339113309
+ 15.5533713623975 split increased to 2 itime 999578
itsplit 1
- acceleration/energy drift too large 13.7419429546435
- 88.2455049087783 split increased to 2 itime 999918
+ acceleration/energy drift too large 4.86184466154491
+ 14.1794175822057 split increased to 2 itime 999875
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 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: 7.81250E-03
- Energy & gradient evaluation: 3.73910E+02
+ MD calculations setup: 1.17188E-02
+ Energy & gradient evaluation: 3.36117E+02
Stochastic MD setup: 0.00000E+00
Stochastic MD step setup: 0.00000E+00
- MD steps: 4.14270E+02
+ MD steps: 3.57406E+02
============================ End of MD calculation ===========================
CG processor 0 is finishing work.
- Total wall clock time 414.292968750000 sec
+ Total wall clock time 357.441406250000 sec
projects / unres.git / blobdiff