X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FREMD%2FLangevin%2Fff_gab%2Foutputs%2F1L2Y_REMD.out_GB000;h=4b77e5106d8797e39325f6626567bed5007150ae;hb=6167581cc7c0c42fe1515b9ecf7e19cc8466b727;hp=b9420a00c1c87ddd73173703c1b76999094de355;hpb=3d715fcd9a4c5ccea28a8e33a8e150be82aa0cec;p=unres.git diff --git a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 index b9420a0..4b77e51 100644 --- a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 +++ b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_REMD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -197,7 +186,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -329,12 +319,10 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 16 time before 2.343750000000000E-002 + MREMD 8 time before 4.687500000000000E-002 NREP= 16 - i2rep 1 2 3 4 5 6 7 8 9 10 - 11 12 13 14 15 16 - i2set 1 1 1 1 1 1 1 1 1 1 - 1 1 1 1 1 1 + i2rep 1 2 3 4 5 6 7 8 + i2set 1 1 1 1 1 1 1 1 i,j,il,il1,i_index(i,j,il,il1) ifirst 1 nupa 1: 2 @@ -353,22 +341,6 @@ ndowna 6: 5 ndowna 7: 6 nupa 8: 9 ndowna 8: 7 - nupa 9: 10 -ndowna 9: 8 - nupa 10: 11 -ndowna 10: 9 - nupa 11: 12 -ndowna 11: 10 - nupa 12: 13 -ndowna 12: 11 - nupa 13: 14 -ndowna 13: 12 - nupa 14: 15 -ndowna 14: 13 - nupa 15: 16 -ndowna 15: 14 - nupa 16: -ndowna 16: 15 REMD Temperature: 250.00000 ====================MD calculation start==================== Initial velocities randomly generated @@ -398,7 +370,7 @@ ndowna 16: 15 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 + 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017 alpha-carbon coordinates centroid coordinates @@ -438,5531 +410,2873 @@ TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 -GLY 11 3.800 90.000 180.000 0.000 180.000 180.000 -GLY 12 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 11 3.800 90.000 180.000 0.000 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 -GLY 16 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 16 3.800 90.000 180.000 0.000 0.000 180.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 -D 22 3.800 90.000 180.000 0.000 180.000 180.000 +D 22 3.800 90.000 180.000 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p) -EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending) -ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional) -ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local) -ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order) -ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 2.499553E+01 (total) +ETOT= 2.264125E+01 (total) Initial: Kinetic energy 2.63515E+01 - potential energy 2.49955E+01 - total energy 5.13470E+01 + potential energy 2.26412E+01 + total energy 4.89928E+01 - maximum acceleration 7.10627E-01 + maximum acceleration 9.59318E-01 - Setup time 2.734375000000000E-002 - acceleration/energy drift too large 8.26334384637421 - 26.7750041557367 split increased to 2 itime 719 + Setup time 6.250000000000000E-002 + acceleration/energy drift too large 5.63918106737272 + 35.3571855162741 split increased to 2 itime 1028 itsplit 1 - acceleration/energy drift too large 4.61869349236768 - 11.5940884147131 split increased to 2 itime 724 + acceleration/energy drift too large 10.8729823992228 + 52.3145846329672 split increased to 2 itime 1056 itsplit 1 - acceleration/energy drift too large 2.88576319612688 - 10.0025926580557 split increased to 2 itime 792 + acceleration/energy drift too large 3.28536102197664 + 11.7411501261499 split increased to 2 itime 1284 itsplit 1 - acceleration/energy drift too large 5.10759683559973 - 25.3079609183639 split increased to 2 itime 3382 + acceleration/energy drift too large 5.14796605170366 + 25.5944222483776 split increased to 2 itime 1464 itsplit 1 - acceleration/energy drift too large 2.90692413684614 - 21.9440903067037 split increased to 2 itime 3974 + acceleration/energy drift too large 4.30555535081426 + 12.0515261611403 split increased to 2 itime 1613 itsplit 1 - acceleration/energy drift too large 8.14549314472849 - 30.3388519180544 split increased to 2 itime 4484 + acceleration/energy drift too large 5.94717809136189 + 10.3896136034960 split increased to 2 itime 1652 itsplit 1 - acceleration/energy drift too large 5.07631645279015 - 30.2063670557820 split increased to 2 itime 4604 + acceleration/energy drift too large 10.2204359471954 + 24.1891695096049 split increased to 2 itime 1662 itsplit 1 - acceleration/energy drift too large 11.5987028347798 - 48.6460600947056 split increased to 2 itime 4697 + acceleration/energy drift too large 2.44352174824906 + 15.1453549172462 split increased to 2 itime 1880 itsplit 1 - acceleration/energy drift too large 2.65685222113156 - 10.2983630336477 split increased to 4 itime 4697 - itsplit 2 - acceleration/energy drift too large 10.7029694651655 - 44.5942350915888 split increased to 2 itime 5106 + acceleration/energy drift too large 4.70471505415219 + 14.3697900658259 split increased to 2 itime 2169 + itsplit 1 + acceleration/energy drift too large 2.36696298044121 + 11.5481023464904 split increased to 2 itime 2988 + itsplit 1 + acceleration/energy drift too large 3.11001725079099 + 11.6433912909899 split increased to 2 itime 2989 + itsplit 1 + acceleration/energy drift too large 3.63283289763953 + 13.5411725430095 split increased to 2 itime 3193 itsplit 1 - acceleration/energy drift too large 6.38932592483277 - 22.0569805922871 split increased to 2 itime 5128 + acceleration/energy drift too large 4.47921557608526 + 11.9938670711319 split increased to 2 itime 3425 itsplit 1 - acceleration/energy drift too large 6.30278336386210 - 16.0033535111208 split increased to 2 itime 5410 + acceleration/energy drift too large 8.91525490425866 + 42.6973845999645 split increased to 2 itime 3662 itsplit 1 - acceleration/energy drift too large 6.61753175822789 - 13.7712700686941 split increased to 2 itime 6768 + acceleration/energy drift too large 7.05435429203365 + 19.2288496136548 split increased to 2 itime 3663 itsplit 1 - acceleration/energy drift too large 3.37029049581790 - 12.4641624365663 split increased to 2 itime 6965 + acceleration/energy drift too large 4.68246766404941 + 25.4676990523523 split increased to 2 itime 3937 itsplit 1 - acceleration/energy drift too large 7.04725995500587 - 23.6005304144775 split increased to 2 itime 7115 + acceleration/energy drift too large 4.49544109901394 + 28.2205277759573 split increased to 2 itime 4350 itsplit 1 - acceleration/energy drift too large 2.31738192585043 - 10.0124025188188 split increased to 2 itime 7208 + acceleration/energy drift too large 3.84092228572669 + 19.3324496146227 split increased to 2 itime 4951 itsplit 1 - acceleration/energy drift too large 5.48971569151628 - 37.5818416518357 split increased to 2 itime 8589 + acceleration/energy drift too large 4.64153203464570 + 10.1801404441808 split increased to 2 itime 6769 itsplit 1 - acceleration/energy drift too large 4.02343135233133 - 14.0475755909893 split increased to 2 itime 8811 + acceleration/energy drift too large 5.07796478963469 + 13.2741701023061 split increased to 2 itime 6931 itsplit 1 - acceleration/energy drift too large 4.84526479075250 - 32.3550694177225 split increased to 2 itime 8869 + acceleration/energy drift too large 4.18814303625074 + 27.1119625402691 split increased to 2 itime 7842 itsplit 1 - acceleration/energy drift too large 7.20091197705991 - 18.7496668928797 split increased to 2 itime 9735 + acceleration/energy drift too large 3.39169805531536 + 10.3324838871765 split increased to 2 itime 8797 itsplit 1 - acceleration/energy drift too large 2.19319531147200 - 16.1563778365408 split increased to 2 itime 10635 + acceleration/energy drift too large 3.50043607321272 + 25.7966304934517 split increased to 2 itime 9616 itsplit 1 - acceleration/energy drift too large 3.19824717418546 - 10.0028967513894 split increased to 2 itime 10998 + acceleration/energy drift too large 2.62285471235274 + 11.8319450262330 split increased to 2 itime 10764 itsplit 1 - acceleration/energy drift too large 3.34825712937002 - 11.1594771354202 split increased to 2 itime 11002 + acceleration/energy drift too large 2.16115195113438 + 11.0979197640116 split increased to 2 itime 11010 itsplit 1 - acceleration/energy drift too large 4.10413204548455 - 10.1591751402532 split increased to 2 itime 11014 + acceleration/energy drift too large 3.07932134835063 + 22.8366668952950 split increased to 2 itime 11241 itsplit 1 - acceleration/energy drift too large 7.27893808484307 - 19.3206237242882 split increased to 2 itime 11221 + acceleration/energy drift too large 6.89071594777647 + 16.6274454383628 split increased to 2 itime 13539 itsplit 1 - acceleration/energy drift too large 3.84370905023851 - 13.2448377005877 split increased to 2 itime 11372 + acceleration/energy drift too large 8.04340932794725 + 21.3639306285702 split increased to 2 itime 14319 itsplit 1 - acceleration/energy drift too large 7.87266245617727 - 15.8254254651018 split increased to 2 itime 11779 + acceleration/energy drift too large 13.4467048311970 + 70.5032897793779 split increased to 2 itime 14346 itsplit 1 - acceleration/energy drift too large 3.07075432401339 - 16.5692649375406 split increased to 2 itime 12430 + acceleration/energy drift too large 3.85144891410892 + 22.4563961669407 split increased to 2 itime 14390 itsplit 1 - acceleration/energy drift too large 3.36049632733531 - 19.3047104938715 split increased to 2 itime 12757 + acceleration/energy drift too large 5.49359064817051 + 18.3214897780854 split increased to 2 itime 14701 itsplit 1 - acceleration/energy drift too large 5.60381185909200 - 18.6477351478962 split increased to 2 itime 12946 + acceleration/energy drift too large 2.63347046167346 + 10.8011272807313 split increased to 2 itime 16123 itsplit 1 - acceleration/energy drift too large 1.54984928195195 - 10.2125344770836 split increased to 2 itime 13078 + acceleration/energy drift too large 2.37252164101140 + 10.0208029603040 split increased to 2 itime 16148 itsplit 1 - acceleration/energy drift too large 2.29472482371803 - 11.7631152409337 split increased to 2 itime 14399 + acceleration/energy drift too large 6.81894093676270 + 25.1133974477313 split increased to 2 itime 16666 itsplit 1 - acceleration/energy drift too large 4.64899892559597 - 26.0288302088623 split increased to 2 itime 16030 + acceleration/energy drift too large 5.02639672515953 + 38.5450806123208 split increased to 2 itime 16957 itsplit 1 - acceleration/energy drift too large 2.86579135507228 - 10.0249595392576 split increased to 2 itime 16741 + acceleration/energy drift too large 3.29230213990233 + 12.8682786761299 split increased to 2 itime 18553 itsplit 1 - acceleration/energy drift too large 4.79733365314638 - 20.9304044141132 split increased to 2 itime 16779 + acceleration/energy drift too large 5.58321685105274 + 13.0721496773453 split increased to 2 itime 19557 itsplit 1 - acceleration/energy drift too large 5.11072548409924 - 33.4643407870369 split increased to 2 itime 16945 + acceleration/energy drift too large 11.4141101491608 + 57.3686331453835 split increased to 2 itime 19636 itsplit 1 - acceleration/energy drift too large 7.39790118073690 - 19.3339247708666 split increased to 2 itime 17829 + acceleration/energy drift too large 2.72191053725797 + 13.3423503274378 split increased to 4 itime 19636 + itsplit 2 + acceleration/energy drift too large 3.43807708156927 + 12.8108481669393 split increased to 2 itime 20554 itsplit 1 - acceleration/energy drift too large 5.74124464804356 - 21.6613363796507 split increased to 2 itime 19069 + acceleration/energy drift too large 4.01017110729673 + 11.6262771507421 split increased to 2 itime 21590 itsplit 1 - acceleration/energy drift too large 2.68617334940497 - 14.5761142155794 split increased to 2 itime 19507 + acceleration/energy drift too large 3.15493106749717 + 19.3017873000702 split increased to 2 itime 21638 itsplit 1 - acceleration/energy drift too large 3.26772102126463 - 10.2871167284916 split increased to 2 itime 19870 + acceleration/energy drift too large 4.99772490386704 + 13.0993452444689 split increased to 2 itime 22369 itsplit 1 - acceleration/energy drift too large 3.16331380819689 - 11.5063938877650 split increased to 2 itime 19942 + acceleration/energy drift too large 3.75783880578601 + 10.2013700416861 split increased to 2 itime 22562 itsplit 1 - acceleration/energy drift too large 5.20323962762652 - 17.1695181357142 split increased to 2 itime 20270 + acceleration/energy drift too large 4.80981678325877 + 11.9977359761756 split increased to 2 itime 24031 itsplit 1 - acceleration/energy drift too large 15.2873752399313 - 84.5846816992344 split increased to 2 itime 20276 + acceleration/energy drift too large 2.47732674467058 + 10.8948782515287 split increased to 2 itime 24847 itsplit 1 - acceleration/energy drift too large 7.16001686299731 - 22.3955892836373 split increased to 2 itime 20336 + acceleration/energy drift too large 13.4640950242825 + 125.047283850475 split increased to 2 itime 25440 itsplit 1 - acceleration/energy drift too large 5.86989661254096 - 19.0474532269753 split increased to 2 itime 20634 + acceleration/energy drift too large 3.58314504573760 + 14.4500196135448 split increased to 4 itime 25440 itsplit 1 - acceleration/energy drift too large 4.34435398222800 - 16.3468269714644 split increased to 2 itime 20764 + acceleration/energy drift too large 5.04824018885210 + 15.8361545775069 split increased to 2 itime 26725 itsplit 1 - acceleration/energy drift too large 4.96825645964055 - 14.9694726571255 split increased to 2 itime 21808 + acceleration/energy drift too large 4.36035907773934 + 10.6716890009158 split increased to 2 itime 26866 itsplit 1 - acceleration/energy drift too large 7.77975700537938 - 33.9618870135372 split increased to 2 itime 23360 + acceleration/energy drift too large 12.6663032769869 + 56.9234494407235 split increased to 2 itime 27001 itsplit 1 - acceleration/energy drift too large 3.74670074824093 - 10.0537930648378 split increased to 2 itime 23979 + acceleration/energy drift too large 2.64325020681395 + 12.3491706106436 split increased to 4 itime 27001 itsplit 1 - acceleration/energy drift too large 3.01681624062663 - 10.6180469919115 split increased to 2 itime 24290 + acceleration/energy drift too large 6.41512050094965 + 15.1041870349427 split increased to 2 itime 27035 itsplit 1 - acceleration/energy drift too large 4.20163218807467 - 10.4333728953428 split increased to 2 itime 24661 + acceleration/energy drift too large 3.74516194471741 + 11.5017789098039 split increased to 2 itime 27125 itsplit 1 - acceleration/energy drift too large 3.14106142774949 - 10.0363276570512 split increased to 2 itime 25251 + acceleration/energy drift too large 6.29261702853444 + 16.7293063203290 split increased to 2 itime 27647 itsplit 1 - acceleration/energy drift too large 3.07096828675019 - 10.2044751439592 split increased to 2 itime 25434 + acceleration/energy drift too large 7.47098605918827 + 23.8508160077668 split increased to 2 itime 28803 itsplit 1 - acceleration/energy drift too large 21.9910863425765 - 153.524454726087 split increased to 2 itime 25810 + acceleration/energy drift too large 6.30271162717393 + 12.7628672754401 split increased to 2 itime 29991 itsplit 1 - acceleration/energy drift too large 3.48219338729091 - 12.6544384392749 split increased to 2 itime 26722 + acceleration/energy drift too large 5.54986684291316 + 19.4528888820941 split increased to 2 itime 30047 itsplit 1 - acceleration/energy drift too large 2.91437522960170 - 11.6071049142778 split increased to 2 itime 26756 + acceleration/energy drift too large 6.34572216646319 + 12.4653243392076 split increased to 2 itime 30049 itsplit 1 - acceleration/energy drift too large 5.25853260740836 - 12.3572773566583 split increased to 2 itime 27842 + acceleration/energy drift too large 5.55482687422360 + 13.6199842088656 split increased to 2 itime 30057 itsplit 1 - acceleration/energy drift too large 5.60991619895774 - 12.5738626275850 split increased to 2 itime 27847 + acceleration/energy drift too large 6.95060901150181 + 13.6408588613389 split increased to 2 itime 30059 itsplit 1 - acceleration/energy drift too large 3.86997890833284 - 11.8757564018147 split increased to 2 itime 29211 + acceleration/energy drift too large 5.73954928734024 + 12.1213607224673 split increased to 2 itime 30071 itsplit 1 - acceleration/energy drift too large 3.97115744865603 - 11.3453629412571 split increased to 2 itime 30021 + acceleration/energy drift too large 2.84073418788950 + 10.1139425826687 split increased to 2 itime 30820 itsplit 1 - acceleration/energy drift too large 5.36692949498821 - 13.3046224291952 split increased to 2 itime 30032 + acceleration/energy drift too large 5.86409442748216 + 22.6716503125443 split increased to 2 itime 31189 itsplit 1 - acceleration/energy drift too large 3.38812310875308 - 11.9502290673888 split increased to 2 itime 30110 + acceleration/energy drift too large 10.9541895939377 + 51.8985245073042 split increased to 2 itime 31530 itsplit 1 - acceleration/energy drift too large 6.24236999428264 - 12.5572165235265 split increased to 2 itime 30738 + acceleration/energy drift too large 2.59770862061949 + 11.8706998198693 split increased to 4 itime 31530 + itsplit 2 + acceleration/energy drift too large 4.22864557277935 + 21.7239295763887 split increased to 2 itime 32547 itsplit 1 - acceleration/energy drift too large 4.57919270241505 - 26.0086243068041 split increased to 2 itime 31165 + acceleration/energy drift too large 13.8438279263302 + 106.191166832147 split increased to 2 itime 32909 itsplit 1 - acceleration/energy drift too large 4.81066264104271 - 22.5142770441446 split increased to 2 itime 32662 + acceleration/energy drift too large 6.54942310822148 + 23.0654746132271 split increased to 2 itime 33631 itsplit 1 - acceleration/energy drift too large 2.88193637074247 - 10.6033805573380 split increased to 2 itime 32675 + acceleration/energy drift too large 12.1939973661612 + 87.6826735717594 split increased to 2 itime 33635 itsplit 1 - acceleration/energy drift too large 5.33208938530336 - 10.3235535987134 split increased to 2 itime 32745 + acceleration/energy drift too large 7.27570857673955 + 23.2112289421643 split increased to 2 itime 33962 itsplit 1 - acceleration/energy drift too large 6.96691037205768 - 17.6294318750729 split increased to 2 itime 32938 + acceleration/energy drift too large 3.85553746116164 + 15.4451093356813 split increased to 2 itime 34184 itsplit 1 - acceleration/energy drift too large 4.99228862615127 - 26.5198613525872 split increased to 2 itime 32978 + acceleration/energy drift too large 4.14576824322283 + 13.4350031698828 split increased to 2 itime 34201 itsplit 1 - acceleration/energy drift too large 5.35080896964098 - 16.3519564462600 split increased to 2 itime 33077 + acceleration/energy drift too large 6.93816987403713 + 15.0855934532604 split increased to 2 itime 34363 itsplit 1 - acceleration/energy drift too large 2.59964162501218 - 10.6111567483417 split increased to 2 itime 33155 + acceleration/energy drift too large 4.47954255680826 + 17.4722735906525 split increased to 2 itime 34530 itsplit 1 - 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acceleration/energy drift too large 2.59418767821969 - 15.3654846348293 split increased to 2 itime 38253 + acceleration/energy drift too large 5.93308215003441 + 15.6469473964777 split increased to 2 itime 35841 itsplit 1 - acceleration/energy drift too large 4.96708828965584 - 11.4230586432237 split increased to 2 itime 38667 + acceleration/energy drift too large 5.33636814429521 + 12.9138167925720 split increased to 2 itime 37165 itsplit 1 - acceleration/energy drift too large 6.46887182036707 - 33.7652642425329 split increased to 2 itime 39967 + acceleration/energy drift too large 2.72290810352853 + 10.7189912450791 split increased to 2 itime 37876 itsplit 1 - acceleration/energy drift too large 4.22646390186154 - 12.1679566048607 split increased to 2 itime 40366 + acceleration/energy drift too large 7.14868437520244 + 29.3379921896970 split increased to 2 itime 38499 itsplit 1 - acceleration/energy drift too large 2.80326700677473 - 13.4270647185819 split increased to 2 itime 40660 + acceleration/energy drift too large 4.59020477605162 + 23.8834530863281 split increased to 2 itime 39032 itsplit 1 - acceleration/energy drift too large 4.89400137251626 - 29.3575529980383 split increased to 2 itime 40882 + acceleration/energy drift too large 5.99735856564086 + 16.7413538069089 split increased to 2 itime 39105 itsplit 1 - acceleration/energy drift too large 2.93851292201581 - 10.0937796199883 split increased to 2 itime 40926 + acceleration/energy drift too large 5.34150761973903 + 13.6252361360669 split increased to 2 itime 39266 itsplit 1 - acceleration/energy drift too large 7.45627456584421 - 18.1339817054322 split increased to 2 itime 44347 + acceleration/energy drift too large 6.17660191694107 + 15.6196409080652 split increased to 2 itime 39670 itsplit 1 - acceleration/energy drift too large 6.33910321811285 - 23.6356049851875 split increased to 2 itime 47792 + acceleration/energy drift too large 9.06174203657497 + 29.5191425043196 split increased to 2 itime 39952 itsplit 1 - acceleration/energy drift too large 10.2699380292030 - 64.7419306596570 split increased to 2 itime 47912 + acceleration/energy drift too large 2.41321173108030 + 12.2013160755494 split increased to 2 itime 40171 itsplit 1 - acceleration/energy drift too large 4.90847622509243 - 19.2777904160953 split increased to 2 itime 49411 + acceleration/energy drift too large 5.39337308151622 + 19.4706537380226 split increased to 2 itime 40295 itsplit 1 - acceleration/energy drift too large 4.67945629667793 - 10.8751176344442 split increased to 2 itime 50301 + acceleration/energy drift too large 4.56774578611308 + 15.4860881951383 split increased to 2 itime 40618 itsplit 1 - acceleration/energy drift too large 3.71793502447027 - 10.1359910658172 split increased to 2 itime 50306 + acceleration/energy drift too large 2.95868181634345 + 11.1487862718852 split increased to 2 itime 42247 itsplit 1 - acceleration/energy drift too large 6.96094772655256 - 35.3922676839770 split increased to 2 itime 50620 + acceleration/energy drift too large 4.69495367211433 + 12.9812938213575 split increased to 2 itime 42314 itsplit 1 - acceleration/energy drift too large 3.67545086992960 - 20.8783966205385 split increased to 2 itime 50621 + acceleration/energy drift too large 11.0980476650334 + 45.8866926444603 split increased to 2 itime 42924 itsplit 1 - acceleration/energy drift too large 2.98308446635235 - 10.0246272771143 split increased to 2 itime 51678 + acceleration/energy drift too large 6.85293779517124 + 30.2115658818096 split increased to 2 itime 42959 itsplit 1 - acceleration/energy drift too large 2.73752309018835 - 10.2177838973972 split increased to 2 itime 52044 + acceleration/energy drift too large 5.57286922741466 + 18.8623681561010 split increased to 2 itime 42992 itsplit 1 - acceleration/energy drift too large 2.16135244343742 - 11.9394205886957 split increased to 2 itime 52049 + acceleration/energy drift too large 7.90781967798329 + 23.1367757227237 split increased to 2 itime 43128 itsplit 1 - acceleration/energy drift too large 5.55939174065976 - 42.7504962536516 split increased to 2 itime 53275 + acceleration/energy drift too large 4.34196457651407 + 12.9784414641500 split increased to 2 itime 43332 itsplit 1 - acceleration/energy drift too large 8.31602257994133 - 27.0204632403143 split increased to 2 itime 53279 + acceleration/energy drift too large 4.77705582667231 + 13.9256602698986 split increased to 2 itime 43333 itsplit 1 - acceleration/energy drift too large 5.12993728456870 - 29.7101491669279 split increased to 2 itime 54377 + acceleration/energy drift too large 9.21726196517588 + 20.4160826997983 split increased to 2 itime 43350 itsplit 1 - acceleration/energy drift too large 8.04268163105500 - 30.4173084908962 split increased to 2 itime 54529 + acceleration/energy drift too large 3.64701890979240 + 10.4384760773738 split increased to 2 itime 43707 itsplit 1 - acceleration/energy drift too large 2.44655139350099 - 15.9372039127301 split increased to 2 itime 54992 + acceleration/energy drift too large 4.55666857674334 + 23.9126897432624 split increased to 2 itime 46091 itsplit 1 - acceleration/energy drift too large 21.1616773235411 - 143.869680430404 split increased to 2 itime 55870 + acceleration/energy drift too large 8.17219825739599 + 20.5859229021717 split increased to 2 itime 47798 itsplit 1 - acceleration/energy drift too large 5.14389275171951 - 31.8773135122805 split increased to 4 itime 55870 + acceleration/energy drift too large 4.70691925484453 + 27.4918862013750 split increased to 2 itime 48601 itsplit 1 - acceleration/energy drift too large 2.35029000902736 - 10.9620626598902 split increased to 2 itime 58269 + acceleration/energy drift too large 6.81664441642112 + 36.6802050022921 split increased to 2 itime 48846 itsplit 1 - acceleration/energy drift too large 3.20228378844777 - 10.3468642764988 split increased to 2 itime 58500 + acceleration/energy drift too large 4.50855971749213 + 17.8670925252033 split increased to 2 itime 51410 itsplit 1 - acceleration/energy drift too large 4.65765807655101 - 14.8892026530080 split increased to 2 itime 59830 + acceleration/energy drift too large 8.63002241735634 + 26.6137085188155 split increased to 2 itime 51421 itsplit 1 - acceleration/energy drift too large 3.59974977281701 - 13.1533925270847 split increased to 2 itime 60665 + acceleration/energy drift too large 3.93485080699537 + 11.3177827069448 split increased to 2 itime 53340 itsplit 1 - acceleration/energy drift too large 2.78761896976678 - 10.0727991553736 split increased to 2 itime 60670 + acceleration/energy drift too large 2.71319576501072 + 12.6841154182645 split increased to 2 itime 57655 itsplit 1 - acceleration/energy drift too large 5.65851202540563 - 17.7763467802020 split increased to 2 itime 60797 + acceleration/energy drift too large 3.28866921197398 + 11.1219189501471 split increased to 2 itime 57715 itsplit 1 - acceleration/energy drift too large 2.96501917308459 - 11.7839219613644 split increased to 2 itime 61001 + acceleration/energy drift too large 5.15915432944909 + 35.5962403316739 split increased to 2 itime 59198 itsplit 1 - acceleration/energy drift too large 2.60236041213474 - 11.0617063835897 split increased to 2 itime 61010 + acceleration/energy drift too large 10.6814875042828 + 52.8372656768800 split increased to 2 itime 59318 itsplit 1 - acceleration/energy drift too large 1.95912690953350 - 10.8382893481673 split increased to 2 itime 61024 + acceleration/energy drift too large 2.51286079612546 + 10.2505226181714 split increased to 2 itime 59458 itsplit 1 - acceleration/energy drift too large 5.06000461956855 - 16.8902696214017 split increased to 2 itime 61855 + acceleration/energy drift too large 5.41425056152957 + 29.5141317587388 split increased to 2 itime 62029 itsplit 1 - acceleration/energy drift too large 4.67426255200319 - 12.3067339319547 split increased to 2 itime 62525 + acceleration/energy drift too large 6.05550280158633 + 19.4682803761979 split increased to 2 itime 62759 itsplit 1 - acceleration/energy drift too large 3.95587620814648 - 10.7828950156177 split increased to 2 itime 62543 + acceleration/energy drift too large 6.24107069025594 + 17.7800627311053 split increased to 2 itime 62813 itsplit 1 - acceleration/energy drift too large 3.22582181253650 - 10.3690991928743 split increased to 2 itime 62545 + acceleration/energy drift too large 4.32323973696410 + 19.8338093099893 split increased to 2 itime 63177 itsplit 1 - acceleration/energy drift too large 3.22639837481331 - 12.8807587338880 split increased to 2 itime 62548 + acceleration/energy drift too large 4.65611730036295 + 15.1899104880647 split increased to 2 itime 63255 itsplit 1 - acceleration/energy drift too large 4.37147441067814 - 11.4720078160626 split increased to 2 itime 62574 + acceleration/energy drift too large 4.16036111525709 + 10.0593067222064 split increased to 2 itime 63345 itsplit 1 - acceleration/energy drift too large 3.99945626625168 - 10.9581149108782 split increased to 2 itime 62612 + acceleration/energy drift too large 3.92377906931795 + 16.8028456812701 split increased to 2 itime 63604 itsplit 1 - acceleration/energy drift too large 7.48824369904477 - 26.4579712314119 split increased to 2 itime 64991 + acceleration/energy drift too large 3.59861297460561 + 14.4455235613579 split increased to 2 itime 64243 itsplit 1 - acceleration/energy drift too large 4.33254126462293 - 11.6318764893047 split increased to 2 itime 65672 + acceleration/energy drift too large 10.9714370554461 + 56.5535712014564 split increased to 2 itime 66516 itsplit 1 - acceleration/energy drift too large 6.43534547464478 - 10.6065447763553 split increased to 2 itime 66285 + acceleration/energy drift too large 5.75575214717111 + 44.1111013285694 split increased to 2 itime 66643 itsplit 1 - acceleration/energy drift too large 4.37475016540298 - 10.3143491684647 split increased to 2 itime 66803 + acceleration/energy drift too large 2.50435027381742 + 12.4430168550362 split increased to 2 itime 67499 itsplit 1 - 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acceleration/energy drift too large 3.58446858469148 - 12.9910010072897 split increased to 2 itime 71700 + acceleration/energy drift too large 3.45300103930126 + 10.0487847960034 split increased to 2 itime 67536 itsplit 1 - acceleration/energy drift too large 4.15925752467195 - 10.8121264460828 split increased to 2 itime 71796 + acceleration/energy drift too large 2.47923980385616 + 10.4751211942108 split increased to 2 itime 67544 itsplit 1 - acceleration/energy drift too large 4.03403006933524 - 12.5590105458999 split increased to 2 itime 72370 + acceleration/energy drift too large 3.40846390087046 + 10.4498025328995 split increased to 2 itime 67563 itsplit 1 - acceleration/energy drift too large 3.56302927492159 - 10.1519133958251 split increased to 2 itime 72377 + acceleration/energy drift too large 2.57824520705121 + 10.2401601280585 split increased to 2 itime 67580 itsplit 1 - acceleration/energy drift too large 3.98243580029397 - 14.1300835677455 split increased to 2 itime 73160 + acceleration/energy drift too large 5.01542852702226 + 15.4465033628673 split increased to 2 itime 69045 itsplit 1 - acceleration/energy drift too large 9.21982307853412 - 41.0605624745216 split increased to 2 itime 75912 + acceleration/energy drift too large 2.52533898833681 + 11.1005865518530 split increased to 2 itime 70062 itsplit 1 - acceleration/energy drift too large 2.64266772740519 - 10.8526143236911 split increased to 2 itime 75989 + acceleration/energy drift too large 9.46367102227206 + 46.3169642997431 split increased to 2 itime 72929 itsplit 1 - acceleration/energy drift too large 9.54217090400911 - 42.1593526170105 split increased to 2 itime 76446 + acceleration/energy drift too large 4.95466213715214 + 11.8827108164148 split increased to 2 itime 75654 itsplit 1 - acceleration/energy drift too large 6.99846898104689 - 20.1655479317440 split increased to 2 itime 76562 + acceleration/energy drift too large 11.3679575707500 + 67.6497354532070 split increased to 2 itime 76885 itsplit 1 - acceleration/energy drift too large 5.29450424890453 - 16.5657068013606 split increased to 2 itime 79342 + acceleration/energy drift too large 3.50123416185582 + 25.0787056487061 split increased to 2 itime 77287 itsplit 1 - acceleration/energy drift too large 3.86121343675949 - 10.5307125509861 split increased to 2 itime 79372 + acceleration/energy drift too large 9.38358974867411 + 42.6767849838563 split increased to 2 itime 77820 itsplit 1 - acceleration/energy drift too large 7.51695364015000 - 20.9120031989457 split increased to 2 itime 79810 + acceleration/energy drift too large 10.1711740543284 + 53.7029902053756 split increased to 2 itime 79424 itsplit 1 - acceleration/energy drift too large 3.07731634238367 - 10.3989006003071 split increased to 2 itime 80154 + acceleration/energy drift too large 11.1468755220041 + 54.4699277459658 split increased to 2 itime 81516 itsplit 1 - acceleration/energy drift too large 5.24878375244555 - 13.5998606895437 split increased to 2 itime 80275 + acceleration/energy drift too large 4.26880124333891 + 10.0568772608864 split increased to 2 itime 81705 itsplit 1 - acceleration/energy drift too large 4.08543964580600 - 12.6419153113048 split increased to 2 itime 81893 + acceleration/energy drift too large 8.57374541507521 + 34.6310067028717 split increased to 2 itime 84173 itsplit 1 - acceleration/energy drift too large 3.17082298896354 - 11.0652149140535 split increased to 2 itime 83857 + acceleration/energy drift too large 3.56623106209922 + 12.7238221412873 split increased to 2 itime 84174 itsplit 1 - acceleration/energy drift too large 10.4807209447992 - 50.9660168503026 split increased to 2 itime 83872 + acceleration/energy drift too large 1.98675147240097 + 10.3737256929119 split increased to 2 itime 84451 itsplit 1 - acceleration/energy drift too large 5.33018291097125 - 14.7853823867531 split increased to 2 itime 87707 + acceleration/energy drift too large 5.26834183662620 + 20.6490486506715 split increased to 2 itime 85129 itsplit 1 - acceleration/energy drift too large 8.97520495234830 - 41.2787549095013 split increased to 2 itime 87879 + acceleration/energy drift too large 6.16788937233679 + 12.5998581957218 split increased to 2 itime 86521 itsplit 1 - acceleration/energy drift too large 3.96360028684416 - 11.8907168585575 split increased to 2 itime 88502 + acceleration/energy drift too large 6.18650133326859 + 16.8845373890066 split increased to 2 itime 86780 itsplit 1 - acceleration/energy drift too large 7.15182857307978 - 17.7561155792951 split increased to 2 itime 89096 + acceleration/energy drift too large 7.34963479807984 + 23.8618488636752 split increased to 2 itime 86958 itsplit 1 - acceleration/energy drift too large 2.57703828135233 - 13.1631879151119 split increased to 2 itime 91610 + acceleration/energy drift too large 3.60805286127260 + 26.8650924619129 split increased to 2 itime 92565 itsplit 1 - acceleration/energy drift too large 6.54430620390576 - 11.9383358087576 split increased to 2 itime 95220 + acceleration/energy drift too large 4.63616507396913 + 18.1218734268102 split increased to 2 itime 92923 itsplit 1 - acceleration/energy drift too large 6.43656604245968 - 30.3767233047073 split increased to 2 itime 95824 + acceleration/energy drift too large 3.20459046543764 + 11.3620149147213 split increased to 2 itime 94519 itsplit 1 - acceleration/energy drift too large 7.25699322003709 - 22.6043704856316 split increased to 2 itime 96834 + acceleration/energy drift too large 4.59839148274791 + 10.5289471371568 split increased to 2 itime 94927 itsplit 1 - acceleration/energy drift too large 5.42022519259350 - 19.6579075272798 split increased to 2 itime 98463 + acceleration/energy drift too large 3.88452616887577 + 11.4717662571804 split increased to 2 itime 94954 itsplit 1 - acceleration/energy drift too large 5.05699437364065 - 15.1068555447324 split increased to 2 itime 98562 + acceleration/energy drift too large 4.81436846918973 + 14.8589513153011 split increased to 2 itime 96747 itsplit 1 - acceleration/energy drift too large 4.25265552366323 - 22.2342699461477 split increased to 2 itime 99132 + acceleration/energy drift too large 4.13296624004695 + 18.7294200832409 split increased to 2 itime 96803 itsplit 1 REMD synchro at 100000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 45.9921875000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 38.7382812500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 1.00000 1 +ACC 1 250.00000 0.00000 1 ACC 2 260.00000 1.00000 1 -ACC 3 270.00000 1.00000 1 -ACC 4 280.00000 1.00000 1 -ACC 5 290.00000 0.00000 1 -ACC 6 300.00000 0.00000 1 +ACC 3 270.00000 0.00000 1 +ACC 4 280.00000 0.00000 1 +ACC 5 290.00000 1.00000 1 +ACC 6 300.00000 1.00000 1 ACC 7 310.00000 0.00000 1 -ACC 8 320.00000 1.00000 1 -ACC 9 330.00000 1.00000 1 -ACC 10 340.00000 1.00000 1 -ACC 11 350.00000 1.00000 1 -ACC 12 360.00000 1.00000 1 -ACC 13 370.00000 1.00000 1 -ACC 14 380.00000 1.00000 1 -ACC 15 390.00000 1.00000 1 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 8.17571755806531 - 15.2011673842156 split increased to 2 itime 100083 - itsplit 1 - acceleration/energy drift too large 6.16794369158287 - 18.7495552631982 split increased to 2 itime 100827 - itsplit 1 - acceleration/energy drift too large 6.31771114260536 - 24.4106250381657 split increased to 2 itime 101586 - itsplit 1 - acceleration/energy drift too large 4.19574787015570 - 11.4262999867620 split increased to 2 itime 101591 - itsplit 1 - acceleration/energy drift too large 4.27519023334573 - 12.4766678356019 split increased to 2 itime 102055 - itsplit 1 - acceleration/energy drift too large 2.25428730883978 - 10.8021646233828 split increased to 2 itime 102056 - itsplit 1 - acceleration/energy drift too large 2.29539834285945 - 10.9547473618421 split increased to 2 itime 102568 - itsplit 1 - acceleration/energy drift too large 3.21634316371531 - 21.4162930733483 split increased to 2 itime 103897 - itsplit 1 - acceleration/energy drift too large 2.80062134105790 - 10.6031699179794 split increased to 2 itime 104103 - itsplit 1 - acceleration/energy drift too large 8.59107370941444 - 39.6721849501188 split increased to 2 itime 106343 - itsplit 1 - acceleration/energy drift too large 6.29946721216554 - 23.9159032951432 split increased to 2 itime 106620 - itsplit 1 - acceleration/energy drift too large 4.25473210089085 - 11.0788943030453 split increased to 2 itime 107921 - itsplit 1 - acceleration/energy drift too large 14.9784202630320 - 94.1749938652007 split increased to 2 itime 108079 - itsplit 1 - acceleration/energy drift too large 5.27367725761524 - 12.5042266379210 split increased to 2 itime 108992 - itsplit 1 - acceleration/energy drift too large 3.76218989128240 - 12.3320700534074 split increased to 2 itime 110490 - itsplit 1 - acceleration/energy drift too large 3.91634754147944 - 10.6443469109556 split increased to 2 itime 110669 - itsplit 1 - acceleration/energy drift too large 4.05926515802711 - 11.0495896627319 split increased to 2 itime 112266 - itsplit 1 - acceleration/energy drift too large 5.80407127112394 - 11.1939092781296 split increased to 2 itime 112296 - itsplit 1 - acceleration/energy drift too large 1.26239546940155 - 10.2967019993801 split increased to 2 itime 112298 - itsplit 1 - acceleration/energy drift too large 4.31969717968834 - 18.5350937429971 split increased to 2 itime 112299 - itsplit 1 - acceleration/energy drift too large 2.69458585170424 - 11.0612045400434 split increased to 2 itime 112314 - itsplit 1 - acceleration/energy drift too large 2.74610552503101 - 10.0925991762274 split increased to 2 itime 114130 - itsplit 1 - acceleration/energy drift too large 10.1571260966946 - 42.9971796576257 split increased to 2 itime 114659 - itsplit 1 - acceleration/energy drift too large 7.89712404181197 - 38.9121414417205 split increased to 2 itime 116139 - itsplit 1 - acceleration/energy drift too large 3.21271468722473 - 10.1979739681411 split increased to 2 itime 116140 - itsplit 1 - acceleration/energy drift too large 3.86678303248735 - 10.3902944070384 split increased to 2 itime 117825 - itsplit 1 - acceleration/energy drift too large 4.49869863045689 - 10.5772717642339 split increased to 2 itime 117915 - itsplit 1 - acceleration/energy drift too large 3.07885953567202 - 10.1344660707892 split increased to 2 itime 118510 - itsplit 1 - acceleration/energy drift too large 3.15518233556998 - 13.1222631641749 split increased to 2 itime 118522 - itsplit 1 - acceleration/energy drift too large 4.81079383471224 - 11.3631544592742 split increased to 2 itime 118542 - itsplit 1 - acceleration/energy drift too large 2.52366275310398 - 19.6066671688377 split increased to 2 itime 119297 - itsplit 1 - acceleration/energy drift too large 2.77824335733474 - 10.6648525557386 split increased to 2 itime 119688 - itsplit 1 - acceleration/energy drift too large 2.74622620221040 - 13.8295481055297 split increased to 2 itime 120621 - itsplit 1 - acceleration/energy drift too large 4.24333335018522 - 12.5781924548256 split increased to 2 itime 120857 - itsplit 1 - acceleration/energy drift too large 4.24040787258530 - 18.4886196003524 split increased to 2 itime 122449 - itsplit 1 - acceleration/energy drift too large 3.01115589225826 - 11.3706101851890 split increased to 2 itime 124570 - itsplit 1 - acceleration/energy drift too large 7.13061911138572 - 10.8495159768791 split increased to 2 itime 125541 - itsplit 1 - acceleration/energy drift too large 3.31609845867516 - 11.8795674528911 split increased to 2 itime 125753 - itsplit 1 - acceleration/energy drift too large 3.61691740545970 - 13.3790576396080 split increased to 2 itime 125957 - itsplit 1 - acceleration/energy drift too large 6.59230710425539 - 19.5438673406224 split increased to 2 itime 126396 - itsplit 1 - acceleration/energy drift too large 2.88835957496261 - 16.1031437880166 split increased to 2 itime 126398 - itsplit 1 - acceleration/energy drift too large 2.87783751085672 - 10.6454266528120 split increased to 2 itime 126956 - itsplit 1 - acceleration/energy drift too large 3.98137559262347 - 10.0754225635455 split increased to 2 itime 128383 - itsplit 1 - acceleration/energy drift too large 5.48809689935258 - 32.5468205778560 split increased to 2 itime 129299 - itsplit 1 - acceleration/energy drift too large 9.07750986546559 - 38.6534017539973 split increased to 2 itime 129341 - itsplit 1 - acceleration/energy drift too large 2.92032419685559 - 17.7077718573896 split increased to 2 itime 130238 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 3.13001505132709 + 10.1410210537227 split increased to 2 itime 103113 itsplit 1 - acceleration/energy drift too large 4.68734273277294 - 19.4468841837176 split increased to 2 itime 131478 + acceleration/energy drift too large 7.42879841185036 + 25.6372952805707 split increased to 2 itime 104417 itsplit 1 - acceleration/energy drift too large 3.12091239472442 - 11.9268309660226 split increased to 2 itime 131480 + acceleration/energy drift too large 7.64364978380072 + 24.9249302213754 split increased to 2 itime 104513 itsplit 1 - acceleration/energy drift too large 3.68940954040349 - 12.5180760929243 split increased to 2 itime 131481 + acceleration/energy drift too large 5.47929822869888 + 10.6755074492465 split increased to 2 itime 112758 itsplit 1 - acceleration/energy drift too large 2.73580783800752 - 13.7584427985648 split increased to 2 itime 131504 + acceleration/energy drift too large 2.59323537439544 + 17.4426821674308 split increased to 2 itime 114835 itsplit 1 - acceleration/energy drift too large 3.71653892861237 - 10.1074096898373 split increased to 2 itime 131505 + acceleration/energy drift too large 7.77242588523110 + 24.8411685599676 split increased to 2 itime 117401 itsplit 1 - acceleration/energy drift too large 3.00764766124082 - 11.2661741253589 split increased to 2 itime 131521 + acceleration/energy drift too large 7.24317506230297 + 20.4263142661891 split increased to 2 itime 118820 itsplit 1 - acceleration/energy drift too large 3.49669567762202 - 12.0453148140340 split increased to 2 itime 131626 + acceleration/energy drift too large 4.44232627491974 + 11.9474910751349 split increased to 2 itime 121712 itsplit 1 - 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acceleration/energy drift too large 3.43984456760827 - 13.1763226986233 split increased to 2 itime 150052 + acceleration/energy drift too large 9.71023984330179 + 42.9650712341454 split increased to 2 itime 198720 itsplit 1 - acceleration/energy drift too large 4.83408835262600 - 12.3750021995095 split increased to 2 itime 150065 + acceleration/energy drift too large 10.1872791579988 + 52.6925621346871 split increased to 2 itime 199835 itsplit 1 - acceleration/energy drift too large 3.55856426423091 - 10.2469221846266 split increased to 2 itime 150067 + REMD synchro at 200000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 78.4375000000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.00000 2 +ACC 2 260.00000 1.00000 2 +ACC 3 270.00000 0.50000 2 +ACC 4 280.00000 0.50000 2 +ACC 5 290.00000 0.50000 2 +ACC 6 300.00000 1.00000 2 +ACC 7 310.00000 0.50000 2 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 12.2084485626411 + 53.6108638583661 split increased to 2 itime 200051 itsplit 1 - acceleration/energy drift too large 2.78850262144462 - 11.6446264657594 split increased to 2 itime 150094 + acceleration/energy drift too large 2.53810576881656 + 11.4808941276954 split increased to 4 itime 200051 + itsplit 2 + acceleration/energy drift too large 7.55872018123679 + 29.7927212748254 split increased to 2 itime 201009 itsplit 1 - acceleration/energy drift too large 3.71156129396044 - 11.1774964988724 split increased to 2 itime 150096 + acceleration/energy drift too large 8.95224165869119 + 27.8983319151703 split increased to 2 itime 205406 itsplit 1 - acceleration/energy drift too large 2.87646265974063 - 10.7640919884107 split increased to 2 itime 150140 + acceleration/energy drift too large 9.07098645266622 + 38.6032995124068 split increased to 2 itime 208750 itsplit 1 - acceleration/energy drift too large 4.29562816412618 - 10.3893442009059 split increased to 2 itime 150142 + acceleration/energy drift too large 13.1754113330734 + 90.1809833178590 split increased to 2 itime 208775 itsplit 1 - acceleration/energy drift too large 3.38038869795772 - 13.5503179181994 split increased to 2 itime 150148 + acceleration/energy drift too large 8.68604181889735 + 33.4372463370927 split increased to 2 itime 209150 itsplit 1 - acceleration/energy drift too large 2.63795474875690 - 11.7805354711352 split increased to 2 itime 150149 + acceleration/energy drift too large 2.45260108494234 + 11.9763295654877 split increased to 2 itime 209568 itsplit 1 - acceleration/energy drift too large 3.77653615409900 - 10.9242903433014 split increased to 2 itime 150150 + acceleration/energy drift too large 8.33655843070247 + 23.5659169703030 split increased to 2 itime 210592 itsplit 1 - acceleration/energy drift too large 3.25353134795093 - 20.3642927025087 split increased to 2 itime 150151 + acceleration/energy drift too large 6.40284348209486 + 18.2833200959135 split increased to 2 itime 215211 itsplit 1 - acceleration/energy drift too large 4.04854742867167 - 10.6447109395184 split increased to 2 itime 150152 + acceleration/energy drift too large 15.3435710635003 + 106.134828552885 split increased to 2 itime 215759 itsplit 1 - acceleration/energy drift too large 3.32070124217529 - 22.7569130697103 split increased to 2 itime 150153 + acceleration/energy drift too large 7.72564258503192 + 29.2105405852435 split increased to 2 itime 216380 itsplit 1 - acceleration/energy drift too large 3.96068916686783 - 10.1554654988664 split increased to 2 itime 150155 + acceleration/energy drift too large 8.03076727820753 + 33.8398247413509 split increased to 2 itime 217032 itsplit 1 - acceleration/energy drift too large 3.74776551794727 - 10.6305201096411 split increased to 2 itime 150156 + acceleration/energy drift too large 1.79885122075765 + 14.6974936613242 split increased to 2 itime 217033 itsplit 1 - acceleration/energy drift too large 3.15703313014993 - 10.7458247269109 split increased to 2 itime 150157 + acceleration/energy drift too large 3.42984444970851 + 25.4748699041339 split increased to 2 itime 217766 itsplit 1 - acceleration/energy drift too large 3.89456333468890 - 12.6490342023766 split increased to 2 itime 150159 + acceleration/energy drift too large 9.92133896073913 + 46.1141390371501 split increased to 2 itime 220551 itsplit 1 - acceleration/energy drift too large 2.29508872731756 - 11.2496627412762 split increased to 2 itime 150292 + acceleration/energy drift too large 3.86581732121221 + 12.6818810062393 split increased to 2 itime 225885 itsplit 1 - acceleration/energy drift too large 3.91027226684611 - 10.7592548956926 split increased to 2 itime 150295 + acceleration/energy drift too large 4.75556207989291 + 23.7514322447296 split increased to 2 itime 229101 itsplit 1 - acceleration/energy drift too large 6.17082844510436 - 11.1722453525526 split increased to 2 itime 151447 + acceleration/energy drift too large 5.96454573739078 + 15.1323178318082 split increased to 2 itime 230540 itsplit 1 - acceleration/energy drift too large 2.76798839205613 - 17.4748575118951 split increased to 2 itime 151629 + acceleration/energy drift too large 3.42487620865555 + 10.3721888933533 split increased to 2 itime 231526 itsplit 1 - acceleration/energy drift too large 7.32911643721605 - 24.5211866892728 split increased to 2 itime 152176 + acceleration/energy drift too large 3.98801109571964 + 16.1502365642523 split increased to 2 itime 232127 itsplit 1 - acceleration/energy drift too large 5.21267571530118 - 13.4275007450735 split increased to 2 itime 152956 + acceleration/energy drift too large 7.08469640313974 + 23.1904142397815 split increased to 2 itime 234644 itsplit 1 - acceleration/energy drift too large 6.58637069196637 - 12.6367397438123 split increased to 2 itime 153320 + acceleration/energy drift too large 4.93775003788783 + 26.3669011701329 split increased to 2 itime 238322 itsplit 1 - acceleration/energy drift too large 4.96288190025425 - 13.3086954744678 split increased to 2 itime 154391 + acceleration/energy drift too large 2.86865279559611 + 11.8612338762924 split increased to 2 itime 238780 itsplit 1 - acceleration/energy drift too large 7.19742793236590 - 23.5308886949411 split increased to 2 itime 155310 + acceleration/energy drift too large 14.9987157615550 + 96.2927253197508 split increased to 2 itime 242801 itsplit 1 - acceleration/energy drift too large 6.61850946963791 - 17.8488605034831 split increased to 2 itime 155317 + acceleration/energy drift too large 11.1887830328447 + 52.7840892820987 split increased to 2 itime 244036 itsplit 1 - acceleration/energy drift too large 4.41482611694815 - 10.8713563154167 split increased to 2 itime 155897 + acceleration/energy drift too large 2.17365828266367 + 19.5481246997944 split increased to 2 itime 246615 itsplit 1 - acceleration/energy drift too large 3.48440147065838 - 10.5611784317480 split increased to 2 itime 155947 + acceleration/energy drift too large 1.74346672463242 + 10.2694527887976 split increased to 2 itime 246620 itsplit 1 - acceleration/energy drift too large 4.64089134592669 - 16.3994741033045 split increased to 2 itime 156147 + acceleration/energy drift too large 13.6510241983959 + 84.0580108248525 split increased to 2 itime 249654 itsplit 1 - acceleration/energy drift too large 4.72417680376213 - 33.5597813946096 split increased to 2 itime 156168 + acceleration/energy drift too large 4.66616138520528 + 15.2142327775412 split increased to 2 itime 250520 itsplit 1 - acceleration/energy drift too large 3.50142990334422 - 16.5814151372209 split increased to 2 itime 156210 + acceleration/energy drift too large 6.99562401956982 + 22.8419897904330 split increased to 2 itime 251418 itsplit 1 - acceleration/energy drift too large 11.8418387817317 - 65.0234065118579 split increased to 2 itime 156688 + acceleration/energy drift too large 3.99280691445085 + 28.2701787869753 split increased to 2 itime 254716 itsplit 1 - acceleration/energy drift too large 3.23658377930189 - 10.1884145098446 split increased to 2 itime 157231 + acceleration/energy drift too large 2.38701850151646 + 10.4971632893545 split increased to 2 itime 256229 itsplit 1 - acceleration/energy drift too large 6.55198662714626 - 13.4077497645363 split increased to 2 itime 157257 + acceleration/energy drift too large 6.29779030790586 + 25.8730097264853 split increased to 2 itime 258121 itsplit 1 - acceleration/energy drift too large 2.97373710226050 - 11.8315659500505 split increased to 2 itime 157741 + acceleration/energy drift too large 7.44525875256638 + 39.3836564068932 split increased to 2 itime 258707 itsplit 1 - acceleration/energy drift too large 3.34309588122220 - 12.1322328317018 split increased to 2 itime 157947 + acceleration/energy drift too large 12.4135413288451 + 55.5102788257445 split increased to 2 itime 259403 itsplit 1 - acceleration/energy drift too large 4.64515902973695 - 13.5326636979388 split increased to 2 itime 159746 + acceleration/energy drift too large 2.65543237745000 + 12.0025509471393 split increased to 2 itime 265674 itsplit 1 - acceleration/energy drift too large 3.12767226917974 - 12.0654673513253 split increased to 2 itime 159747 + acceleration/energy drift too large 2.06613873680979 + 12.2617485722993 split increased to 2 itime 265681 itsplit 1 - acceleration/energy drift too large 5.88611780452978 - 14.8694179836057 split increased to 2 itime 159795 + acceleration/energy drift too large 3.13762773440860 + 10.8292687716040 split increased to 2 itime 265683 itsplit 1 - acceleration/energy drift too large 4.75916688840520 - 17.1277758250013 split increased to 2 itime 159913 + acceleration/energy drift too large 2.81285555564065 + 10.9593771113962 split increased to 2 itime 265692 itsplit 1 - acceleration/energy drift too large 6.77221058186728 - 17.8727038256621 split increased to 2 itime 163483 + acceleration/energy drift too large 3.38952210418907 + 14.0784694161536 split increased to 2 itime 265890 itsplit 1 - acceleration/energy drift too large 6.53716398853630 - 26.4678588487029 split increased to 2 itime 164377 + acceleration/energy drift too large 11.1001329471798 + 51.8536583414426 split increased to 2 itime 266749 itsplit 1 - acceleration/energy drift too large 4.11265753394077 - 13.2277084781393 split increased to 2 itime 164771 + acceleration/energy drift too large 7.80939107915785 + 22.7586465545398 split increased to 2 itime 267371 itsplit 1 - acceleration/energy drift too large 4.85718611819306 - 12.2457208602390 split increased to 2 itime 165265 + acceleration/energy drift too large 4.33983222209805 + 12.2111350298332 split increased to 2 itime 270506 itsplit 1 - acceleration/energy drift too large 2.46643223244218 - 11.4079254893662 split increased to 2 itime 165515 + acceleration/energy drift too large 3.63291128698837 + 10.1576368425821 split increased to 2 itime 271178 itsplit 1 - acceleration/energy drift too large 6.08290718359029 - 13.9389658298268 split increased to 2 itime 166266 + acceleration/energy drift too large 2.54247680609218 + 10.1803463167128 split increased to 2 itime 274561 itsplit 1 - acceleration/energy drift too large 5.21727086933181 - 19.6525316208381 split increased to 2 itime 166667 + acceleration/energy drift too large 3.07126177362703 + 10.0445037538388 split increased to 2 itime 274693 itsplit 1 - acceleration/energy drift too large 4.10799537075402 - 10.9024929994254 split increased to 2 itime 167783 + acceleration/energy drift too large 2.49757231335019 + 10.2344073261167 split increased to 2 itime 274758 itsplit 1 - acceleration/energy drift too large 6.06864506666801 - 16.0304185337795 split increased to 2 itime 168309 + acceleration/energy drift too large 5.49775122601844 + 13.2721919813381 split increased to 2 itime 280580 itsplit 1 - acceleration/energy drift too large 3.67772051067840 - 10.2988238098860 split increased to 2 itime 170339 + acceleration/energy drift too large 5.01330379975365 + 18.6797560492280 split increased to 2 itime 281897 itsplit 1 - acceleration/energy drift too large 6.70804677569938 - 29.8682722459196 split increased to 2 itime 170815 + acceleration/energy drift too large 2.19453561861262 + 10.1661175165272 split increased to 2 itime 283308 itsplit 1 - acceleration/energy drift too large 2.96455377926515 - 10.0679490568457 split increased to 2 itime 170841 + acceleration/energy drift too large 4.19230346213308 + 13.7416301125946 split increased to 2 itime 283534 itsplit 1 - acceleration/energy drift too large 2.50725736232368 - 10.7857855097085 split increased to 2 itime 170866 + acceleration/energy drift too large 10.7575306802793 + 56.2501450627783 split increased to 2 itime 291227 itsplit 1 - acceleration/energy drift too large 8.53510587373955 - 12.4604557743218 split increased to 2 itime 170909 + acceleration/energy drift too large 4.70277060063352 + 11.0147728582671 split increased to 2 itime 291642 itsplit 1 - acceleration/energy drift too large 6.27449999181136 - 24.5781404930958 split increased to 2 itime 172262 + acceleration/energy drift too large 6.06761348131801 + 19.5350047137485 split increased to 2 itime 292810 itsplit 1 - acceleration/energy drift too large 3.69158631053476 - 21.6265167314422 split increased to 2 itime 173070 + acceleration/energy drift too large 2.45355661794724 + 10.0668239644584 split increased to 2 itime 299351 itsplit 1 - acceleration/energy drift too large 4.27036742827382 - 10.0004974003630 split increased to 2 itime 173345 + acceleration/energy drift too large 2.61841955106773 + 10.9013641768885 split increased to 2 itime 299463 itsplit 1 - acceleration/energy drift too large 6.28237625324244 - 26.3216131885768 split increased to 2 itime 173694 + acceleration/energy drift too large 2.64006131933536 + 17.3861906171351 split increased to 2 itime 299880 itsplit 1 - acceleration/energy drift too large 3.73305551464882 - 17.4672799952438 split increased to 2 itime 174096 + REMD synchro at 300000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 118.109375000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.00000 3 +ACC 2 260.00000 1.00000 3 +ACC 3 270.00000 0.66667 3 +ACC 4 280.00000 0.33333 3 +ACC 5 290.00000 0.66667 3 +ACC 6 300.00000 1.00000 3 +ACC 7 310.00000 0.33333 3 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 4.72793967015098 + 15.1752628844156 split increased to 2 itime 300756 itsplit 1 - acceleration/energy drift too large 6.16861718024993 - 35.1434160928447 split increased to 2 itime 174341 + acceleration/energy drift too large 4.66040627613142 + 23.4182183203648 split increased to 2 itime 300911 itsplit 1 - acceleration/energy drift too large 6.19833779245507 - 16.9605417536041 split increased to 2 itime 174929 + acceleration/energy drift too large 3.61596973682947 + 15.0953045151588 split increased to 2 itime 301915 itsplit 1 - acceleration/energy drift too large 5.95661820454820 - 20.7875135712371 split increased to 2 itime 176765 + acceleration/energy drift too large 3.66210427036869 + 14.2418825586096 split increased to 2 itime 303554 itsplit 1 - acceleration/energy drift too large 4.70311839190071 - 10.7478924955815 split increased to 2 itime 177647 + acceleration/energy drift too large 4.67370280541112 + 18.8431776909442 split increased to 2 itime 304417 itsplit 1 - acceleration/energy drift too large 2.97497497528995 - 10.0624831701879 split increased to 2 itime 178202 + acceleration/energy drift too large 1.45602157451694 + 16.2795388291869 split increased to 2 itime 304418 itsplit 1 - acceleration/energy drift too large 2.75087836577381 - 12.8736838420008 split increased to 2 itime 178227 + acceleration/energy drift too large 2.99435547775342 + 11.7038953281149 split increased to 2 itime 304584 itsplit 1 - acceleration/energy drift too large 3.11624586939148 - 10.1441650308257 split increased to 2 itime 178468 + acceleration/energy drift too large 11.0831346111954 + 58.0964280669970 split increased to 2 itime 311730 itsplit 1 - acceleration/energy drift too large 4.93853954885600 - 11.6988276739245 split increased to 2 itime 178855 + acceleration/energy drift too large 4.81510104681937 + 17.8281621572103 split increased to 2 itime 314056 itsplit 1 - acceleration/energy drift too large 7.00856015307153 - 12.4401071455529 split increased to 2 itime 179053 + acceleration/energy drift too large 6.40786411222459 + 22.9634805792219 split increased to 2 itime 316288 itsplit 1 - acceleration/energy drift too large 2.56821442655174 - 10.6763614024172 split increased to 2 itime 179713 + acceleration/energy drift too large 7.54219908503625 + 25.5996617916688 split increased to 2 itime 317694 itsplit 1 - acceleration/energy drift too large 2.93565761372467 - 11.1274396866791 split increased to 2 itime 179735 + acceleration/energy drift too large 2.09454046209944 + 10.2517218977358 split increased to 2 itime 320285 itsplit 1 - acceleration/energy drift too large 3.01744362721822 - 10.9869513544512 split increased to 2 itime 179866 + acceleration/energy drift too large 4.80102152897987 + 29.9677296310039 split increased to 2 itime 325606 itsplit 1 - acceleration/energy drift too large 3.90047913607958 - 10.0851929432956 split increased to 2 itime 180851 + acceleration/energy drift too large 3.56737180697507 + 20.2125978686371 split increased to 2 itime 326037 itsplit 1 - acceleration/energy drift too large 2.83140525967270 - 10.8855015031401 split increased to 2 itime 181467 + acceleration/energy drift too large 7.22713320417288 + 22.2475233785378 split increased to 2 itime 329471 itsplit 1 - acceleration/energy drift too large 8.91310102538601 - 35.6380038725245 split increased to 2 itime 181545 + acceleration/energy drift too large 6.82800698438666 + 20.7980271650654 split increased to 2 itime 334536 itsplit 1 - acceleration/energy drift too large 5.83800774137487 - 18.2621704279045 split increased to 2 itime 182098 + acceleration/energy drift too large 4.96338155418168 + 12.4474381848688 split increased to 2 itime 335036 itsplit 1 - acceleration/energy drift too large 2.53403834011763 - 10.0780292418203 split increased to 2 itime 183650 + acceleration/energy drift too large 4.53507186381455 + 14.2045366308279 split increased to 2 itime 335677 itsplit 1 - acceleration/energy drift too large 4.13415572799205 - 10.8295672521748 split increased to 2 itime 183694 + acceleration/energy drift too large 4.62972647630605 + 12.5550411995306 split increased to 2 itime 336192 itsplit 1 - acceleration/energy drift too large 4.17979540931945 - 10.0549133978134 split increased to 2 itime 184195 + acceleration/energy drift too large 6.06755998182457 + 27.8886634979340 split increased to 2 itime 336238 itsplit 1 - acceleration/energy drift too large 6.55676012557181 - 14.3578831301027 split increased to 2 itime 184239 + acceleration/energy drift too large 2.83496922734442 + 12.0452628164488 split increased to 2 itime 341105 itsplit 1 - acceleration/energy drift too large 4.52084989544459 - 10.9526994407804 split increased to 2 itime 184243 + acceleration/energy drift too large 5.70499867575682 + 18.6330729513646 split increased to 2 itime 341729 itsplit 1 - acceleration/energy drift too large 2.41919248031248 - 11.4482042688969 split increased to 2 itime 185216 + acceleration/energy drift too large 10.2509021064175 + 54.3307812079466 split increased to 2 itime 343627 itsplit 1 - acceleration/energy drift too large 1.98190666502525 - 10.3596130499509 split increased to 2 itime 185263 + acceleration/energy drift too large 4.53567379925911 + 15.5787465032927 split increased to 2 itime 344765 itsplit 1 - acceleration/energy drift too large 4.03340177244413 - 18.7844800633522 split increased to 2 itime 186031 + acceleration/energy drift too large 2.34910412647582 + 11.4066831717411 split increased to 2 itime 345135 itsplit 1 - acceleration/energy drift too large 2.69959282153786 - 10.2025466988030 split increased to 2 itime 186158 + acceleration/energy drift too large 3.34112593912448 + 12.3503628231198 split increased to 2 itime 345809 itsplit 1 - acceleration/energy drift too large 4.86363116231976 - 10.4305891179488 split increased to 2 itime 186606 + acceleration/energy drift too large 3.92054093281767 + 10.3619888680073 split increased to 2 itime 345957 itsplit 1 - acceleration/energy drift too large 3.81940134957707 - 10.1502128830778 split increased to 2 itime 186627 + acceleration/energy drift too large 4.60188697922431 + 13.5374110552558 split increased to 2 itime 346379 itsplit 1 - acceleration/energy drift too large 11.7149328424614 - 58.2273097132392 split increased to 2 itime 187117 + acceleration/energy drift too large 3.72544866392539 + 10.3183611689152 split increased to 2 itime 347557 itsplit 1 - acceleration/energy drift too large 5.86031610978054 - 15.6766148942222 split increased to 2 itime 187386 + acceleration/energy drift too large 5.06628129110537 + 11.1652123159367 split increased to 2 itime 348951 itsplit 1 - acceleration/energy drift too large 4.40183556057235 - 12.3912652600398 split increased to 2 itime 187571 + acceleration/energy drift too large 4.16072166864979 + 18.9931939795688 split increased to 2 itime 349363 itsplit 1 - acceleration/energy drift too large 7.89178000433836 - 27.7452453912900 split increased to 2 itime 187790 + acceleration/energy drift too large 2.29507012800224 + 10.9139930650483 split increased to 2 itime 350122 itsplit 1 - acceleration/energy drift too large 3.77439290481200 - 20.9454962891674 split increased to 2 itime 188124 + acceleration/energy drift too large 4.29322202576090 + 10.9735591274698 split increased to 2 itime 350795 itsplit 1 - acceleration/energy drift too large 10.0286433712830 - 46.2771450310216 split increased to 2 itime 188580 + acceleration/energy drift too large 9.82286353074248 + 44.0750951110660 split increased to 2 itime 351103 itsplit 1 - acceleration/energy drift too large 7.41276881336916 - 14.3891970587383 split increased to 2 itime 188838 + acceleration/energy drift too large 4.08168175575937 + 18.9210472126944 split increased to 2 itime 356037 itsplit 1 - acceleration/energy drift too large 2.37448097897313 - 17.2367198077943 split increased to 2 itime 188887 + acceleration/energy drift too large 3.90699506859462 + 10.1145620328750 split increased to 2 itime 357297 itsplit 1 - acceleration/energy drift too large 1.44092376173216 - 10.2841812993479 split increased to 2 itime 189236 + acceleration/energy drift too large 4.45667366680077 + 13.1513532966716 split increased to 2 itime 357386 itsplit 1 - acceleration/energy drift too large 4.96512035336011 - 15.7511935291162 split increased to 2 itime 189344 + acceleration/energy drift too large 2.93896860614967 + 10.9492343401078 split increased to 2 itime 357539 itsplit 1 - acceleration/energy drift too large 3.33198830177967 - 11.4718336115094 split increased to 2 itime 189463 + acceleration/energy drift too large 4.19998924610281 + 11.3378070198131 split increased to 2 itime 357603 itsplit 1 - acceleration/energy drift too large 4.10223047460260 - 15.0205012976199 split increased to 2 itime 190056 + acceleration/energy drift too large 6.87404532260868 + 16.8515227764894 split increased to 2 itime 358947 itsplit 1 - acceleration/energy drift too large 2.46708963946001 - 10.4359922158438 split increased to 2 itime 190319 + acceleration/energy drift too large 5.27316141157960 + 24.1435435160295 split increased to 2 itime 361684 itsplit 1 - acceleration/energy drift too large 4.50659652898448 - 10.1355964298644 split increased to 2 itime 190321 + acceleration/energy drift too large 4.47229702050832 + 13.4202958101381 split increased to 2 itime 368819 itsplit 1 - acceleration/energy drift too large 3.65201927595873 - 10.7786120437239 split increased to 2 itime 190329 + acceleration/energy drift too large 6.25758447509473 + 18.9183394314035 split increased to 2 itime 369261 itsplit 1 - acceleration/energy drift too large 5.40913077282803 - 10.0962469681957 split increased to 2 itime 190333 + acceleration/energy drift too large 6.12288706322436 + 36.7787192796118 split increased to 2 itime 371873 itsplit 1 - acceleration/energy drift too large 4.70036783536982 - 12.6969678671029 split increased to 2 itime 190370 + acceleration/energy drift too large 2.71939078146220 + 10.6363014882108 split increased to 2 itime 376517 itsplit 1 - acceleration/energy drift too large 3.59171689603184 - 11.3557248137280 split increased to 2 itime 190379 + acceleration/energy drift too large 4.02947389765559 + 10.1322742203006 split increased to 2 itime 376527 itsplit 1 - acceleration/energy drift too large 6.58790628246656 - 12.4896272519525 split increased to 2 itime 190729 + acceleration/energy drift too large 5.60607543290980 + 22.8571536437450 split increased to 2 itime 377009 itsplit 1 - acceleration/energy drift too large 4.39865850092240 - 12.6965121750561 split increased to 2 itime 190955 + acceleration/energy drift too large 5.08356101092109 + 11.2211356159098 split increased to 2 itime 377568 itsplit 1 - acceleration/energy drift too large 2.08991283463400 - 10.1584886113200 split increased to 2 itime 192484 + acceleration/energy drift too large 4.69946442072449 + 13.9777696212737 split increased to 2 itime 381318 itsplit 1 - acceleration/energy drift too large 7.59939020768112 - 30.5223882365984 split increased to 2 itime 192602 + acceleration/energy drift too large 9.34069644899130 + 34.0555605910648 split increased to 2 itime 383493 itsplit 1 - acceleration/energy drift too large 4.16548879629661 - 10.2185273040875 split increased to 2 itime 193005 + acceleration/energy drift too large 6.27248498501550 + 10.4039078718275 split increased to 2 itime 390244 itsplit 1 - acceleration/energy drift too large 6.28927173873436 - 12.5536476526056 split increased to 2 itime 193947 + acceleration/energy drift too large 6.52577007005597 + 26.6490801364831 split increased to 2 itime 390544 itsplit 1 - acceleration/energy drift too large 12.2642592076063 - 67.1256047139475 split increased to 2 itime 194077 + acceleration/energy drift too large 5.41096965651657 + 19.4284264358583 split increased to 2 itime 391032 itsplit 1 - acceleration/energy drift too large 2.45834399292747 - 10.8917379312515 split increased to 4 itime 194077 - itsplit 2 - acceleration/energy drift too large 6.98158986680603 - 19.5481646554196 split increased to 2 itime 195703 + acceleration/energy drift too large 9.65886191056836 + 33.8381494710579 split increased to 2 itime 393221 itsplit 1 - acceleration/energy drift too large 3.56814895462811 - 17.9074515036942 split increased to 2 itime 195704 + acceleration/energy drift too large 11.9468472090546 + 82.4751608104003 split increased to 2 itime 393729 itsplit 1 - acceleration/energy drift too large 5.02881354769344 - 12.9950757189103 split increased to 2 itime 197186 + acceleration/energy drift too large 10.4699304006037 + 58.5649932729230 split increased to 2 itime 394997 itsplit 1 - acceleration/energy drift too large 4.73342963105735 - 10.8721306937392 split increased to 2 itime 199241 + acceleration/energy drift too large 2.20445882038501 + 10.9818511065717 split increased to 2 itime 396057 itsplit 1 - acceleration/energy drift too large 6.70513216285429 - 20.4557372742857 split increased to 2 itime 199666 + acceleration/energy drift too large 8.06703128456995 + 30.8844960251752 split increased to 2 itime 397072 itsplit 1 - acceleration/energy drift too large 1.04057948859272 - 12.7797592386721 split increased to 2 itime 199970 + acceleration/energy drift too large 6.72810857639519 + 23.1823116638008 split increased to 2 itime 398147 itsplit 1 - REMD synchro at 200000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + REMD synchro at 400000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 92.0312500000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 157.765625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 1.00000 2 -ACC 2 260.00000 0.50000 2 -ACC 3 270.00000 1.00000 2 -ACC 4 280.00000 1.00000 2 -ACC 5 290.00000 0.50000 2 -ACC 6 300.00000 0.00000 2 -ACC 7 310.00000 0.50000 2 -ACC 8 320.00000 1.00000 2 -ACC 9 330.00000 1.00000 2 -ACC 10 340.00000 0.50000 2 -ACC 11 350.00000 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 +ACC 1 250.00000 0.00000 4 +ACC 2 260.00000 1.00000 4 +ACC 3 270.00000 0.50000 4 +ACC 4 280.00000 0.25000 4 +ACC 5 290.00000 0.75000 4 +ACC 6 300.00000 1.00000 4 +ACC 7 310.00000 0.50000 4 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 5.89140773579453 - 20.1261234554063 split increased to 2 itime 200422 - itsplit 1 - acceleration/energy drift too large 2.67212851402764 - 11.9623191295414 split increased to 2 itime 204334 - itsplit 1 - acceleration/energy drift too large 5.67127927179852 - 18.6271891386428 split increased to 2 itime 206664 - itsplit 1 - acceleration/energy drift too large 5.20973200413908 - 16.2398469989206 split increased to 2 itime 207634 - itsplit 1 - acceleration/energy drift too large 5.37405403857844 - 10.9401194160197 split increased to 2 itime 207676 - itsplit 1 - acceleration/energy drift too large 4.68426077676845 - 13.3243031206463 split increased to 2 itime 207884 - itsplit 1 - acceleration/energy drift too large 4.88568378353922 - 15.9211630911968 split increased to 2 itime 209322 - itsplit 1 - acceleration/energy drift too large 6.43315335181029 - 13.9355170884810 split increased to 2 itime 209390 - itsplit 1 - acceleration/energy drift too large 4.86493513826720 - 10.7748440573885 split increased to 2 itime 210131 - itsplit 1 - acceleration/energy drift too large 6.60145543380702 - 12.3785132943523 split increased to 2 itime 210572 - itsplit 1 - acceleration/energy drift too large 6.04212929909171 - 14.0271732180988 split increased to 2 itime 210657 - itsplit 1 - acceleration/energy drift too large 3.84368257839257 - 12.1457210057433 split increased to 2 itime 211141 - itsplit 1 - acceleration/energy drift too large 3.57890149372398 - 12.0054272742083 split increased to 2 itime 211184 - itsplit 1 - acceleration/energy drift too large 2.93300576737238 - 11.2650361174141 split increased to 2 itime 211186 - itsplit 1 - acceleration/energy drift too large 3.73619167792808 - 13.5583512941130 split increased to 2 itime 211195 - itsplit 1 - acceleration/energy drift too large 2.47742605844003 - 10.3696702022400 split increased to 2 itime 211282 - itsplit 1 - acceleration/energy drift too large 6.85983101527020 - 13.1438688970155 split increased to 2 itime 212038 - itsplit 1 - acceleration/energy drift too large 4.49530212189726 - 10.5027577718120 split increased to 2 itime 212132 - itsplit 1 - acceleration/energy drift too large 3.02262038911598 - 21.0405310019208 split increased to 2 itime 212254 - itsplit 1 - acceleration/energy drift too large 2.60641090206459 - 11.1759935907099 split increased to 2 itime 212521 - itsplit 1 - acceleration/energy drift too large 2.17601343047985 - 10.8301623582553 split increased to 2 itime 213116 - itsplit 1 - acceleration/energy drift too large 8.81292881921265 - 30.0470426097718 split increased to 2 itime 213202 - itsplit 1 - acceleration/energy drift too large 9.21347905089017 - 71.8210814984476 split increased to 2 itime 213404 - itsplit 1 - acceleration/energy drift too large 3.59378539825926 - 17.3240513880344 split increased to 4 itime 213404 - itsplit 1 - acceleration/energy drift too large 6.45057815202493 - 11.3656779755562 split increased to 2 itime 214214 - itsplit 1 - acceleration/energy drift too large 3.46975042281598 - 13.0077845662960 split increased to 2 itime 214431 - itsplit 1 - acceleration/energy drift too large 3.25686699861687 - 22.3656064306962 split increased to 2 itime 214444 - itsplit 1 - acceleration/energy drift too large 6.08095208557491 - 16.5762482119700 split increased to 2 itime 215370 - itsplit 1 - acceleration/energy drift too large 3.29959381309558 - 21.7881025986515 split increased to 2 itime 216875 - itsplit 1 - acceleration/energy drift too large 3.88729862219471 - 12.3538222230310 split increased to 2 itime 217176 - itsplit 1 - acceleration/energy drift too large 3.64075713991041 - 10.7080828190525 split increased to 2 itime 217245 - itsplit 1 - acceleration/energy drift too large 2.42631452136178 - 15.2184791371916 split increased to 2 itime 217597 - itsplit 1 - acceleration/energy drift too large 3.52021198002880 - 13.0374615382126 split increased to 2 itime 219023 - itsplit 1 - acceleration/energy drift too large 3.05898031782923 - 10.6249982858627 split increased to 2 itime 219904 - itsplit 1 - acceleration/energy drift too large 4.78417930194089 - 14.4682307183480 split increased to 2 itime 220337 - itsplit 1 - acceleration/energy drift too large 2.99833795595973 - 20.2441797499467 split increased to 2 itime 220739 - itsplit 1 - acceleration/energy drift too large 4.66661002810892 - 10.6777772369912 split increased to 2 itime 221279 - itsplit 1 - acceleration/energy drift too large 7.72309973495581 - 14.0895720902613 split increased to 2 itime 221445 - itsplit 1 - acceleration/energy drift too large 5.42593037005469 - 31.5314116559423 split increased to 2 itime 222799 - itsplit 1 - acceleration/energy drift too large 4.50490831398529 - 11.4671367754913 split increased to 2 itime 224683 - itsplit 1 - acceleration/energy drift too large 2.27177151500904 - 10.5356498598780 split increased to 2 itime 225776 - itsplit 1 - acceleration/energy drift too large 2.19732346696231 - 11.8332016130080 split increased to 2 itime 225832 - itsplit 1 - acceleration/energy drift too large 2.51887478660767 - 10.2747267193610 split increased to 2 itime 225891 - itsplit 1 - acceleration/energy drift too large 2.41596204802662 - 10.5440911099887 split increased to 2 itime 226405 - itsplit 1 - acceleration/energy drift too large 5.33717232565395 - 10.6291476059849 split increased to 2 itime 228353 - itsplit 1 - acceleration/energy drift too large 2.78206740104671 - 10.9922140051605 split increased to 2 itime 228393 - itsplit 1 - acceleration/energy drift too large 2.36212436275253 - 10.1411116468757 split increased to 2 itime 228402 - itsplit 1 - acceleration/energy drift too large 3.39102641214088 - 10.6470985701875 split increased to 2 itime 228482 - itsplit 1 - acceleration/energy drift too large 2.79876999680024 - 11.4219577502338 split increased to 2 itime 228641 - itsplit 1 - acceleration/energy drift too large 3.04521331077474 - 10.0574044262743 split increased to 2 itime 228870 - itsplit 1 - acceleration/energy drift too large 3.44090354360418 - 10.1982163425776 split increased to 2 itime 228872 - itsplit 1 - acceleration/energy drift too large 2.74943885471165 - 16.8154284923089 split increased to 2 itime 229026 - itsplit 1 - acceleration/energy drift too large 3.84592297916786 - 11.4253139423951 split increased to 2 itime 229031 - itsplit 1 - acceleration/energy drift too large 6.10090881447645 - 14.2654374811945 split increased to 2 itime 229452 - itsplit 1 - acceleration/energy drift too large 3.72015428735500 - 11.3791559591323 split increased to 2 itime 230681 - itsplit 1 - acceleration/energy drift too large 5.47115327367603 - 15.0167587134042 split increased to 2 itime 234245 - itsplit 1 - acceleration/energy drift too large 2.38248945564126 - 11.2001864684453 split increased to 2 itime 234407 - itsplit 1 - acceleration/energy drift too large 3.81400872510888 - 24.6291113489352 split increased to 2 itime 235689 - itsplit 1 - acceleration/energy drift too large 8.84817567743045 - 37.5781656042780 split increased to 2 itime 236680 - itsplit 1 - acceleration/energy drift too large 4.25537828495053 - 13.8937809784291 split increased to 2 itime 236681 - itsplit 1 - acceleration/energy drift too large 7.84813508317189 - 13.7364196908907 split increased to 2 itime 238841 - itsplit 1 - acceleration/energy drift too large 3.72173088568857 - 10.0288745568598 split increased to 2 itime 239826 - itsplit 1 - acceleration/energy drift too large 2.97674366773214 - 10.0852134696623 split increased to 2 itime 239997 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 6.76528137629433 + 18.9152164268437 split increased to 2 itime 400595 itsplit 1 - acceleration/energy drift too large 4.79116069816869 - 10.3506581605279 split increased to 2 itime 240795 + acceleration/energy drift too large 6.35716823717715 + 22.3062693248204 split increased to 2 itime 400699 itsplit 1 - acceleration/energy drift too large 2.39746140931716 - 12.5525285453595 split increased to 2 itime 241394 + acceleration/energy drift too large 7.84809751161058 + 21.2742956213607 split increased to 2 itime 401493 itsplit 1 - acceleration/energy drift too large 2.99578984003042 - 10.1372093350456 split increased to 2 itime 243223 + acceleration/energy drift too large 11.4558871023131 + 62.8925907237390 split increased to 2 itime 401804 itsplit 1 - acceleration/energy drift too large 3.70957795718904 - 12.5634568340846 split increased to 2 itime 243578 + acceleration/energy drift too large 7.22266505466903 + 20.7052003144113 split increased to 2 itime 401902 itsplit 1 - acceleration/energy drift too large 2.74716215430396 - 10.7801586761856 split increased to 2 itime 243582 + acceleration/energy drift too large 6.37515539426735 + 14.6428901601758 split increased to 2 itime 403244 itsplit 1 - acceleration/energy drift too large 2.69566619838395 - 10.6562632101904 split increased to 2 itime 243728 + acceleration/energy drift too large 3.16725001786478 + 11.2539011497379 split increased to 2 itime 406744 itsplit 1 - acceleration/energy drift too large 6.94461554482021 - 19.0282934488186 split increased to 2 itime 243857 + acceleration/energy drift too large 3.62993852531751 + 31.3732987741173 split increased to 2 itime 410866 itsplit 1 - acceleration/energy drift too large 2.33466204961906 - 13.1012385658164 split increased to 2 itime 247728 + acceleration/energy drift too large 5.41633694707513 + 17.8770337551578 split increased to 2 itime 411286 itsplit 1 - acceleration/energy drift too large 4.89678267637171 - 11.1757206562780 split increased to 2 itime 248581 + acceleration/energy drift too large 2.46400733597370 + 15.6735292023452 split increased to 2 itime 412255 itsplit 1 - acceleration/energy drift too large 2.52609672361426 - 11.7950521670467 split increased to 2 itime 248740 + acceleration/energy drift too large 5.53308107445780 + 17.4155467837664 split increased to 2 itime 415799 itsplit 1 - acceleration/energy drift too large 3.81746155706921 - 10.0825455058352 split increased to 2 itime 248773 + acceleration/energy drift too large 5.94983636372315 + 15.9623114605275 split increased to 2 itime 416125 itsplit 1 - acceleration/energy drift too large 3.22602244334460 - 10.3434016091458 split increased to 2 itime 248790 + acceleration/energy drift too large 8.67810320012529 + 29.0968437798901 split increased to 2 itime 417402 itsplit 1 - acceleration/energy drift too large 4.75122289638488 - 10.4690033302701 split increased to 2 itime 251001 + acceleration/energy drift too large 4.35569399050208 + 11.7334556399489 split increased to 2 itime 417622 itsplit 1 - acceleration/energy drift too large 7.19002221771642 - 25.2308661242408 split increased to 2 itime 253340 + acceleration/energy drift too large 3.30596955710362 + 10.3409002377787 split increased to 2 itime 418656 itsplit 1 - acceleration/energy drift too large 14.2644452055482 - 83.8305762869053 split increased to 2 itime 253674 + acceleration/energy drift too large 4.93867457636622 + 10.6515985115818 split increased to 2 itime 419477 itsplit 1 - acceleration/energy drift too large 6.93068677004978 - 19.3283734918150 split increased to 2 itime 254407 + acceleration/energy drift too large 3.91663018910074 + 23.3003716403585 split increased to 2 itime 420627 itsplit 1 - acceleration/energy drift too large 4.68031788236559 - 33.8066599296478 split increased to 2 itime 255303 + acceleration/energy drift too large 7.96978572029989 + 28.4042731793131 split increased to 2 itime 424491 itsplit 1 - acceleration/energy drift too large 3.32666128350239 - 10.1376158087806 split increased to 2 itime 256715 + acceleration/energy drift too large 4.48312086924299 + 10.8838591539524 split increased to 2 itime 424548 itsplit 1 - acceleration/energy drift too large 2.35990650928025 - 11.3527984661760 split increased to 2 itime 256721 + acceleration/energy drift too large 5.20276394284693 + 15.5571360489642 split increased to 2 itime 428294 itsplit 1 - acceleration/energy drift too large 3.04551211351344 - 11.8607404337425 split increased to 2 itime 256727 + acceleration/energy drift too large 11.9895150656543 + 68.2021702707443 split increased to 2 itime 429107 itsplit 1 - acceleration/energy drift too large 2.34769473722132 - 11.6499703311197 split increased to 2 itime 256752 + acceleration/energy drift too large 3.54220051490668 + 10.4024163466329 split increased to 2 itime 429115 itsplit 1 - acceleration/energy drift too large 3.46148145932330 - 13.7005510141530 split increased to 2 itime 256831 + acceleration/energy drift too large 2.69599872727365 + 10.7305518426037 split increased to 2 itime 429134 itsplit 1 - acceleration/energy drift too large 5.08742274687310 - 18.8311955858841 split increased to 2 itime 258587 + acceleration/energy drift too large 1.54786601754391 + 10.9032473998093 split increased to 2 itime 431099 itsplit 1 - acceleration/energy drift too large 2.08210631792926 - 23.3584004109475 split increased to 2 itime 259827 + acceleration/energy drift too large 7.63630639282310 + 13.8009359657687 split increased to 2 itime 436405 itsplit 1 - acceleration/energy drift too large 5.84736172998568 - 13.5309101098192 split increased to 2 itime 260117 + acceleration/energy drift too large 2.51122897290491 + 11.8305425090823 split increased to 2 itime 440551 itsplit 1 - acceleration/energy drift too large 2.85551414422957 - 10.2861691717684 split increased to 2 itime 260147 + acceleration/energy drift too large 2.72166804342636 + 11.2495723220724 split increased to 2 itime 440605 itsplit 1 - acceleration/energy drift too large 9.07872636125521 - 25.6458286409979 split increased to 2 itime 261590 + acceleration/energy drift too large 8.58877959848657 + 33.3066132338974 split increased to 2 itime 440685 itsplit 1 - acceleration/energy drift too large 2.52163600297276 - 10.0077850095993 split increased to 2 itime 263202 + acceleration/energy drift too large 6.33750986692049 + 19.1689970666315 split increased to 2 itime 440738 itsplit 1 - acceleration/energy drift too large 3.75830429583806 - 13.6407900350918 split increased to 2 itime 263392 + acceleration/energy drift too large 2.79915952607211 + 19.5073471065654 split increased to 2 itime 442200 itsplit 1 - acceleration/energy drift too large 7.47240435392542 - 10.2994807853829 split increased to 2 itime 264821 + acceleration/energy drift too large 3.69702427548960 + 14.8047535374368 split increased to 2 itime 442201 itsplit 1 - acceleration/energy drift too large 6.72974086319598 - 20.5467747352220 split increased to 2 itime 266851 + acceleration/energy drift too large 2.67479726465997 + 10.7673797010477 split increased to 2 itime 442302 itsplit 1 - acceleration/energy drift too large 6.33109739432703 - 11.1277579388885 split increased to 2 itime 267953 + acceleration/energy drift too large 1.76317474317928 + 11.1030106400444 split increased to 2 itime 443059 itsplit 1 - acceleration/energy drift too large 7.74249308287352 - 15.4451802421059 split increased to 2 itime 269382 + acceleration/energy drift too large 3.96725090425869 + 33.2671258782010 split increased to 2 itime 443223 itsplit 1 - acceleration/energy drift too large 3.26085144452324 - 19.8829597027635 split increased to 2 itime 269724 + acceleration/energy drift too large 1.99657748054833 + 10.9742134976835 split increased to 2 itime 446835 itsplit 1 - acceleration/energy drift too large 7.44341031517833 - 24.3602227128263 split increased to 2 itime 270061 + acceleration/energy drift too large 4.92437873951666 + 12.3199097274015 split increased to 2 itime 447236 itsplit 1 - acceleration/energy drift too large 3.05158402089613 - 13.5993355802174 split increased to 2 itime 270850 + acceleration/energy drift too large 7.81784117413882 + 27.1356400374625 split increased to 2 itime 447913 itsplit 1 - acceleration/energy drift too large 2.98732248260920 - 16.8440624501986 split increased to 2 itime 271045 + acceleration/energy drift too large 2.66934366627334 + 10.4915529948296 split increased to 2 itime 448803 itsplit 1 - acceleration/energy drift too large 4.32081167141284 - 15.0154568734885 split increased to 2 itime 272587 + acceleration/energy drift too large 8.07905592534353 + 37.3855141278889 split increased to 2 itime 450743 itsplit 1 - acceleration/energy drift too large 5.74989417960435 - 10.1905676077124 split increased to 2 itime 274859 + acceleration/energy drift too large 5.23840632032607 + 12.3565337729949 split increased to 2 itime 455141 itsplit 1 - acceleration/energy drift too large 8.01190769181519 - 22.7771596009531 split increased to 2 itime 274965 + acceleration/energy drift too large 1.52507795198408 + 17.2799920842790 split increased to 2 itime 456808 itsplit 1 - acceleration/energy drift too large 2.68877714999904 - 11.1080027982933 split increased to 2 itime 275760 + acceleration/energy drift too large 12.7657768637565 + 64.7909622775309 split increased to 2 itime 457747 itsplit 1 - acceleration/energy drift too large 6.70047400708177 - 17.4989921441125 split increased to 2 itime 276551 + acceleration/energy drift too large 3.33487566661482 + 10.1332690372463 split increased to 2 itime 458191 itsplit 1 - acceleration/energy drift too large 3.39583452499536 - 10.4766186602689 split increased to 2 itime 278605 + acceleration/energy drift too large 5.51042171311435 + 16.6632476738072 split increased to 2 itime 459182 itsplit 1 - acceleration/energy drift too large 6.15274694577373 - 13.9616047769407 split increased to 2 itime 281276 + acceleration/energy drift too large 7.48058882220526 + 25.5950893777778 split increased to 2 itime 459619 itsplit 1 - acceleration/energy drift too large 3.77220988221387 - 10.1207936353235 split increased to 2 itime 281333 + acceleration/energy drift too large 6.12341381013875 + 19.0354985676417 split increased to 2 itime 462589 itsplit 1 - acceleration/energy drift too large 3.72515711247252 - 21.3963161788618 split increased to 2 itime 285190 + acceleration/energy drift too large 3.33172805964860 + 19.0486627654567 split increased to 2 itime 462613 itsplit 1 - acceleration/energy drift too large 2.76732688192741 - 14.0155852993406 split increased to 2 itime 285916 + acceleration/energy drift too large 5.92891045235391 + 17.5473584248474 split increased to 2 itime 463149 itsplit 1 - acceleration/energy drift too large 3.10854412414550 - 17.9499881033381 split increased to 2 itime 287587 + acceleration/energy drift too large 3.40840410584659 + 10.2156551066010 split increased to 2 itime 463285 itsplit 1 - acceleration/energy drift too large 5.44723869467757 - 14.5927186999415 split increased to 2 itime 288260 + acceleration/energy drift too large 9.30094460396799 + 39.0892939049737 split increased to 2 itime 463541 itsplit 1 - acceleration/energy drift too large 4.07973710274437 - 18.6148085114565 split increased to 2 itime 289368 + acceleration/energy drift too large 4.65707318395544 + 11.2117054420582 split increased to 2 itime 464281 itsplit 1 - acceleration/energy drift too large 4.75859623701097 - 14.5071857149292 split increased to 2 itime 289771 + acceleration/energy drift too large 2.20965772608548 + 10.2683540118625 split increased to 2 itime 466139 itsplit 1 - acceleration/energy drift too large 7.43072579421323 - 20.8459467421900 split increased to 2 itime 290470 + acceleration/energy drift too large 4.17932083821145 + 10.4065741232833 split increased to 2 itime 476085 itsplit 1 - acceleration/energy drift too large 3.51077662847037 - 17.8444188275560 split increased to 2 itime 290923 + acceleration/energy drift too large 7.84940588562164 + 30.5183689193394 split increased to 2 itime 476144 itsplit 1 - acceleration/energy drift too large 6.50301392227160 - 21.4424137909116 split increased to 2 itime 291334 + acceleration/energy drift too large 8.11452023297231 + 31.9023003444632 split increased to 2 itime 480400 itsplit 1 - acceleration/energy drift too large 8.60888727483096 - 24.8162020154146 split increased to 2 itime 292551 + acceleration/energy drift too large 4.59919596486169 + 11.4657765327672 split increased to 2 itime 481016 itsplit 1 - acceleration/energy drift too large 6.23015689004005 - 14.1763395970671 split increased to 2 itime 292925 + acceleration/energy drift too large 6.69913238415660 + 24.5262799740877 split increased to 2 itime 482369 itsplit 1 - acceleration/energy drift too large 5.88224444348728 - 21.2672583049517 split increased to 2 itime 292950 + acceleration/energy drift too large 2.80257553068563 + 13.3756754786089 split increased to 2 itime 482422 itsplit 1 - acceleration/energy drift too large 7.18541453411736 - 15.1637101315137 split increased to 2 itime 293068 + acceleration/energy drift too large 8.34424220263782 + 34.0555270237589 split increased to 2 itime 482496 itsplit 1 - acceleration/energy drift too large 7.14220860539275 - 11.3850330908799 split increased to 2 itime 293930 + acceleration/energy drift too large 9.89802922063932 + 46.7905628492208 split increased to 2 itime 482786 itsplit 1 - acceleration/energy drift too large 5.17523349760034 - 10.2508772242342 split increased to 2 itime 294574 + acceleration/energy drift too large 14.7486480514098 + 82.2416743122557 split increased to 2 itime 485237 itsplit 1 - acceleration/energy drift too large 2.43468708850473 - 10.6502099308486 split increased to 2 itime 294908 + acceleration/energy drift too large 10.9918933227943 + 48.2171417205249 split increased to 2 itime 488387 itsplit 1 - acceleration/energy drift too large 12.6098036474486 - 50.2150869881662 split increased to 2 itime 296007 + acceleration/energy drift too large 13.5248934694627 + 84.6187689370187 split increased to 2 itime 491024 itsplit 1 - acceleration/energy drift too large 7.66356908024649 - 17.2355144286539 split increased to 2 itime 296510 + acceleration/energy drift too large 5.12004566117031 + 12.5006640685325 split increased to 2 itime 491217 itsplit 1 - acceleration/energy drift too large 7.09691106262257 - 39.5267653777838 split increased to 2 itime 296717 + acceleration/energy drift too large 4.62378699181046 + 15.7359452150762 split increased to 2 itime 494842 itsplit 1 - acceleration/energy drift too large 12.9753089542320 - 77.1940385255314 split increased to 2 itime 296933 + acceleration/energy drift too large 1.94131773374966 + 10.6642856388911 split increased to 2 itime 495263 itsplit 1 - acceleration/energy drift too large 3.54929128372393 - 10.6260956323245 split increased to 2 itime 298080 + acceleration/energy drift too large 4.53882651100607 + 11.0913514520934 split increased to 2 itime 496963 itsplit 1 - acceleration/energy drift too large 5.13575487432130 - 11.5247428414137 split increased to 2 itime 299952 + acceleration/energy drift too large 7.46393772452495 + 22.0642266192114 split increased to 2 itime 497257 itsplit 1 - REMD synchro at 300000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 139.070312500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 197.445312500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.66667 3 -ACC 2 260.00000 0.33333 3 -ACC 3 270.00000 1.00000 3 -ACC 4 280.00000 1.00000 3 -ACC 5 290.00000 0.33333 3 -ACC 6 300.00000 0.33333 3 -ACC 7 310.00000 0.66667 3 -ACC 8 320.00000 0.66667 3 -ACC 9 330.00000 1.00000 3 -ACC 10 340.00000 0.33333 3 -ACC 11 350.00000 1.00000 3 -ACC 12 360.00000 1.00000 3 -ACC 13 370.00000 0.66667 3 -ACC 14 380.00000 1.00000 3 -ACC 15 390.00000 1.00000 3 +ACC 1 250.00000 0.00000 5 +ACC 2 260.00000 1.00000 5 +ACC 3 270.00000 0.40000 5 +ACC 4 280.00000 0.40000 5 +ACC 5 290.00000 0.60000 5 +ACC 6 300.00000 1.00000 5 +ACC 7 310.00000 0.40000 5 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 3.21515642220488 - 14.0061610816825 split increased to 2 itime 301588 - itsplit 1 - acceleration/energy drift too large 6.19518846532381 - 19.4521813355463 split increased to 2 itime 302479 - itsplit 1 - acceleration/energy drift too large 6.73177720813106 - 19.3497080005014 split increased to 2 itime 302876 - itsplit 1 - acceleration/energy drift too large 5.24358200070803 - 11.6108096099685 split increased to 2 itime 305807 - itsplit 1 - acceleration/energy drift too large 2.12523375666162 - 10.0008213853066 split increased to 2 itime 305972 - itsplit 1 - acceleration/energy drift too large 9.17310070909078 - 44.1653463534844 split increased to 2 itime 306062 - itsplit 1 - acceleration/energy drift too large 4.90142271341008 - 14.9592239738763 split increased to 2 itime 307305 - itsplit 1 - acceleration/energy drift too large 3.94683976083943 - 11.3269842138774 split increased to 2 itime 310076 - itsplit 1 - acceleration/energy drift too large 6.84921798725369 - 31.7232662426812 split increased to 2 itime 310449 - itsplit 1 - acceleration/energy drift too large 7.35818048038916 - 12.2988871902855 split increased to 2 itime 311713 + acceleration/energy drift too large 7.50900403416654 + 27.5446702958400 split increased to 2 itime 501014 itsplit 1 - acceleration/energy drift too large 2.39708353443099 - 15.6602843656643 split increased to 2 itime 315150 + acceleration/energy drift too large 4.17725480895850 + 16.5702840974671 split increased to 2 itime 502332 itsplit 1 - acceleration/energy drift too large 3.14171760766290 - 25.1260543037525 split increased to 2 itime 315151 + acceleration/energy drift too large 6.07618123970452 + 16.2153805601781 split increased to 2 itime 508590 itsplit 1 - acceleration/energy drift too large 4.37497773845037 - 12.9444234196682 split increased to 2 itime 316430 + acceleration/energy drift too large 5.70606727506766 + 20.5520815829891 split increased to 2 itime 509010 itsplit 1 - acceleration/energy drift too large 6.03864702561651 - 27.2480406339519 split increased to 2 itime 316505 + acceleration/energy drift too large 6.72570158634208 + 16.4640984868293 split increased to 2 itime 509786 itsplit 1 - acceleration/energy drift too large 2.89734350744965 - 12.6388544744710 split increased to 2 itime 319736 + acceleration/energy drift too large 4.53506047192253 + 13.0484215372048 split increased to 2 itime 510538 itsplit 1 - acceleration/energy drift too large 3.03664091876781 - 14.3760854364302 split increased to 2 itime 319752 + acceleration/energy drift too large 1.87811346239179 + 10.3978009288242 split increased to 2 itime 511753 itsplit 1 - acceleration/energy drift too large 5.17187667339472 - 10.3231788496721 split increased to 2 itime 319754 + acceleration/energy drift too large 5.19686138921645 + 14.4934502883267 split increased to 2 itime 512188 itsplit 1 - acceleration/energy drift too large 2.87878515918077 - 23.4499104524497 split increased to 2 itime 319755 + acceleration/energy drift too large 8.60220207215693 + 32.4842881295725 split increased to 2 itime 514390 itsplit 1 - acceleration/energy drift too large 3.97490106903046 - 11.9158285181266 split increased to 2 itime 319757 + acceleration/energy drift too large 5.83605475997747 + 18.7719989795466 split increased to 2 itime 514516 itsplit 1 - acceleration/energy drift too large 4.94631520644623 - 14.8217757591010 split increased to 2 itime 321012 + acceleration/energy drift too large 2.05216156218067 + 13.1325218209728 split increased to 2 itime 515487 itsplit 1 - acceleration/energy drift too large 6.13012117981803 - 28.3960006099146 split increased to 2 itime 321323 + acceleration/energy drift too large 4.83151104409780 + 15.6556824051344 split increased to 2 itime 517886 itsplit 1 - acceleration/energy drift too large 2.83020047735798 - 10.2555328618845 split increased to 2 itime 322483 + acceleration/energy drift too large 8.90677205774902 + 13.2991113522715 split increased to 2 itime 518470 itsplit 1 - acceleration/energy drift too large 5.48090829811770 - 14.3264512065958 split increased to 2 itime 323678 + acceleration/energy drift too large 1.55873228437365 + 12.0513858644168 split increased to 2 itime 520971 itsplit 1 - acceleration/energy drift too large 5.58365639697103 - 19.3087726550271 split increased to 2 itime 325891 + acceleration/energy drift too large 7.99757097323012 + 30.8828168917488 split increased to 2 itime 521609 itsplit 1 - acceleration/energy drift too large 3.67003776225527 - 11.2978125755724 split increased to 2 itime 326129 + acceleration/energy drift too large 3.52049942844456 + 18.8951828831860 split increased to 2 itime 522108 itsplit 1 - acceleration/energy drift too large 2.75328190949690 - 10.5542603740788 split increased to 2 itime 326145 + acceleration/energy drift too large 4.93743449703613 + 17.9454216587535 split increased to 2 itime 523546 itsplit 1 - acceleration/energy drift too large 2.35112883529983 - 10.5836230634541 split increased to 2 itime 326187 + acceleration/energy drift too large 2.79201637010132 + 24.2223230662151 split increased to 2 itime 524775 itsplit 1 - acceleration/energy drift too large 5.80809121571118 - 16.3382816219338 split increased to 2 itime 330062 + acceleration/energy drift too large 6.47990626841869 + 36.2402149933173 split increased to 2 itime 525363 itsplit 1 - acceleration/energy drift too large 5.01536206161786 - 11.3188101485724 split increased to 2 itime 330950 + acceleration/energy drift too large 4.88856873583990 + 12.3650472445267 split increased to 2 itime 527272 itsplit 1 - acceleration/energy drift too large 4.47633357145611 - 14.7790796478056 split increased to 2 itime 334226 + acceleration/energy drift too large 6.16379767003773 + 21.8070799438585 split increased to 2 itime 527301 itsplit 1 - acceleration/energy drift too large 2.82972603297758 - 12.7655654965944 split increased to 2 itime 339891 + acceleration/energy drift too large 4.97636809161150 + 11.8041846185277 split increased to 2 itime 527353 itsplit 1 - acceleration/energy drift too large 4.32420038756034 - 10.1166705906592 split increased to 2 itime 341324 + acceleration/energy drift too large 9.55099015129207 + 42.2847404202911 split increased to 2 itime 528247 itsplit 1 - acceleration/energy drift too large 4.83962322937514 - 14.2315883009596 split increased to 2 itime 342197 + acceleration/energy drift too large 3.47427601801362 + 10.1565218321010 split increased to 2 itime 529135 itsplit 1 - acceleration/energy drift too large 5.15696014276171 - 12.1364900446786 split increased to 2 itime 346488 + acceleration/energy drift too large 5.96113520468168 + 14.8429759199479 split increased to 2 itime 529457 itsplit 1 - acceleration/energy drift too large 2.87939585213392 - 11.9777633367180 split increased to 2 itime 347046 + acceleration/energy drift too large 8.13103043172691 + 28.0486466013811 split increased to 2 itime 529548 itsplit 1 - acceleration/energy drift too large 3.42264681284423 - 10.9204828464646 split increased to 2 itime 348069 + acceleration/energy drift too large 7.68241904278665 + 27.3133029302084 split increased to 2 itime 530307 itsplit 1 - acceleration/energy drift too large 6.57253370806224 - 26.3026752561855 split increased to 2 itime 349664 + acceleration/energy drift too large 3.11642780074165 + 10.5219589054614 split increased to 2 itime 530323 itsplit 1 - acceleration/energy drift too large 2.41456646066030 - 10.0746811772202 split increased to 2 itime 349686 + acceleration/energy drift too large 2.02144803008016 + 11.4790652715456 split increased to 2 itime 530325 itsplit 1 - acceleration/energy drift too large 4.80970807440621 - 10.0347974799828 split increased to 2 itime 351170 + acceleration/energy drift too large 2.29682887329730 + 14.7605803097151 split increased to 2 itime 532731 itsplit 1 - acceleration/energy drift too large 2.57759913654621 - 12.1867108953393 split increased to 2 itime 351222 + acceleration/energy drift too large 8.19520495969552 + 28.5654973088707 split increased to 2 itime 532780 itsplit 1 - acceleration/energy drift too large 6.03613192086544 - 10.9669143895079 split increased to 2 itime 351235 + acceleration/energy drift too large 4.05476930810241 + 11.3930943167692 split increased to 2 itime 534942 itsplit 1 - acceleration/energy drift too large 4.90737269119275 - 12.4319420245076 split increased to 2 itime 351238 + acceleration/energy drift too large 10.3642150714910 + 53.6221261442702 split increased to 2 itime 538600 itsplit 1 - acceleration/energy drift too large 4.36996323120392 - 17.9343004519593 split increased to 2 itime 351597 + acceleration/energy drift too large 4.78560840039094 + 10.3408445630894 split increased to 2 itime 541784 itsplit 1 - acceleration/energy drift too large 4.48778991248124 - 13.5126002911967 split increased to 2 itime 355933 + acceleration/energy drift too large 6.31930777616046 + 22.4948240815235 split increased to 2 itime 546755 itsplit 1 - acceleration/energy drift too large 3.87046362045486 - 14.8649084215261 split increased to 2 itime 356603 + acceleration/energy drift too large 7.79044231117698 + 30.4068529368244 split increased to 2 itime 548082 itsplit 1 - acceleration/energy drift too large 10.6725457043836 - 35.4720974625696 split increased to 2 itime 360160 + acceleration/energy drift too large 2.50625057638106 + 12.3065710978013 split increased to 2 itime 549302 itsplit 1 - acceleration/energy drift too large 3.94201417312254 - 17.5887550904038 split increased to 2 itime 360699 + acceleration/energy drift too large 3.29112150249386 + 10.3748523901260 split increased to 2 itime 549748 itsplit 1 - acceleration/energy drift too large 3.72648927048386 - 12.5050172142602 split increased to 2 itime 361359 + acceleration/energy drift too large 8.20055199987064 + 33.6536206544168 split increased to 2 itime 551042 itsplit 1 - acceleration/energy drift too large 2.38885628597045 - 10.3045043115043 split increased to 2 itime 363132 + acceleration/energy drift too large 4.23522658046993 + 14.7884631941625 split increased to 2 itime 556278 itsplit 1 - acceleration/energy drift too large 2.89956347876834 - 11.6183001751801 split increased to 2 itime 363135 + acceleration/energy drift too large 5.68944954689445 + 35.9193089656826 split increased to 2 itime 557135 itsplit 1 - acceleration/energy drift too large 2.86684482122523 - 10.1042907538143 split increased to 2 itime 363141 + acceleration/energy drift too large 6.21365084988955 + 17.9957887195218 split increased to 2 itime 557750 itsplit 1 - acceleration/energy drift too large 5.07210840207462 - 13.0013674367039 split increased to 2 itime 364693 + acceleration/energy drift too large 2.25582035030492 + 11.4193003567222 split increased to 2 itime 558642 itsplit 1 - acceleration/energy drift too large 5.93242141497752 - 14.7225474005101 split increased to 2 itime 365689 + acceleration/energy drift too large 13.5317692717754 + 79.0834859515207 split increased to 2 itime 560207 itsplit 1 - acceleration/energy drift too large 5.32061170506246 - 16.2561159096743 split increased to 2 itime 368104 + acceleration/energy drift too large 2.52404544420669 + 11.1503300947159 split increased to 4 itime 560207 itsplit 1 - acceleration/energy drift too large 9.96410091291693 - 41.6311971975705 split increased to 2 itime 368164 + acceleration/energy drift too large 5.69416189719272 + 12.5795838067874 split increased to 2 itime 566902 itsplit 1 - acceleration/energy drift too large 3.45127606367486 - 10.3587937722658 split increased to 2 itime 368849 + acceleration/energy drift too large 5.73126540227734 + 10.6350922275790 split increased to 2 itime 567690 itsplit 1 - acceleration/energy drift too large 5.70434711074901 - 26.3315470806861 split increased to 2 itime 369954 + acceleration/energy drift too large 2.90765212451102 + 15.5761231645314 split increased to 2 itime 567695 itsplit 1 - acceleration/energy drift too large 6.02957162300502 - 18.0516642969636 split increased to 2 itime 371657 + acceleration/energy drift too large 11.5885351457228 + 58.8666841095515 split increased to 2 itime 567900 itsplit 1 - acceleration/energy drift too large 4.66300525012313 - 13.6320137929398 split increased to 2 itime 371942 + acceleration/energy drift too large 2.12757217708945 + 13.0872110744824 split increased to 2 itime 571361 itsplit 1 - acceleration/energy drift too large 2.49238883186510 - 10.5839903426323 split increased to 2 itime 373742 + acceleration/energy drift too large 8.69640960950267 + 37.9694952926861 split increased to 2 itime 571785 itsplit 1 - acceleration/energy drift too large 6.61738836474461 - 13.8006894344397 split increased to 2 itime 375981 + acceleration/energy drift too large 5.68034348404928 + 19.8833474102247 split increased to 2 itime 574060 itsplit 1 - acceleration/energy drift too large 5.95763088013116 - 11.3955163560056 split increased to 2 itime 376242 + acceleration/energy drift too large 3.72877291300232 + 12.5902366796661 split increased to 2 itime 574597 itsplit 1 - acceleration/energy drift too large 1.96798709967086 - 10.5703233303137 split increased to 2 itime 376421 + acceleration/energy drift too large 3.57608189291435 + 13.0454019801732 split increased to 2 itime 578281 itsplit 1 - acceleration/energy drift too large 2.61657054059635 - 10.2195846874822 split increased to 2 itime 376547 + acceleration/energy drift too large 5.33415794604788 + 22.7449980891698 split increased to 2 itime 579693 itsplit 1 - acceleration/energy drift too large 2.10573255238195 - 14.2506568260552 split increased to 2 itime 376866 + acceleration/energy drift too large 3.06973229604473 + 22.3495355826886 split increased to 2 itime 581686 itsplit 1 - acceleration/energy drift too large 1.51689338462515 - 13.2305687152525 split increased to 2 itime 377873 + acceleration/energy drift too large 6.24898956712644 + 21.3035538708782 split increased to 2 itime 582487 itsplit 1 - acceleration/energy drift too large 6.69935441170210 - 32.5139275856887 split increased to 2 itime 381126 + acceleration/energy drift too large 5.19134079220393 + 10.9790768794968 split increased to 2 itime 582656 itsplit 1 - acceleration/energy drift too large 7.28101088752383 - 36.8290188558607 split increased to 2 itime 381682 + acceleration/energy drift too large 6.80197608164520 + 29.3999508366813 split increased to 2 itime 583899 itsplit 1 - acceleration/energy drift too large 1.47894968345552 - 10.5435992307675 split increased to 2 itime 382663 + acceleration/energy drift too large 3.17695027724316 + 10.5313182869027 split increased to 2 itime 585507 itsplit 1 - acceleration/energy drift too large 4.15417535087545 - 11.5744855814668 split increased to 2 itime 382669 + acceleration/energy drift too large 1.59906457598754 + 12.1399017422161 split increased to 2 itime 586237 itsplit 1 - acceleration/energy drift too large 2.32337245018191 - 12.4848326926804 split increased to 2 itime 382670 + acceleration/energy drift too large 1.72651279818246 + 12.4840963225588 split increased to 2 itime 586357 itsplit 1 - acceleration/energy drift too large 4.46969555318568 - 13.6359366106928 split increased to 2 itime 382675 + acceleration/energy drift too large 5.34385290161771 + 11.2362647432214 split increased to 2 itime 589286 itsplit 1 - acceleration/energy drift too large 4.07270284348795 - 15.2060129462891 split increased to 2 itime 382677 + acceleration/energy drift too large 8.30516435779183 + 25.9971879374983 split increased to 2 itime 589804 itsplit 1 - acceleration/energy drift too large 2.73244678765435 - 10.5194491902838 split increased to 2 itime 382678 + acceleration/energy drift too large 4.88846891091825 + 10.0939699741975 split increased to 2 itime 589999 itsplit 1 - acceleration/energy drift too large 2.62538955424017 - 12.0718705770603 split increased to 2 itime 382679 + acceleration/energy drift too large 2.58282828753721 + 10.4085396105576 split increased to 2 itime 590004 itsplit 1 - acceleration/energy drift too large 2.20962522271701 - 13.4900322408877 split increased to 2 itime 382680 + acceleration/energy drift too large 4.66440413772390 + 11.2421302629400 split increased to 2 itime 590374 itsplit 1 - acceleration/energy drift too large 2.30752798243274 - 11.1295452879310 split increased to 2 itime 382683 + acceleration/energy drift too large 17.3948840685740 + 102.625829844118 split increased to 2 itime 590925 itsplit 1 - acceleration/energy drift too large 3.04797370200512 - 18.8034981261908 split increased to 2 itime 382684 - itsplit 1 - acceleration/energy drift too large 4.05799407063745 - 10.3960877279511 split increased to 2 itime 382687 - itsplit 1 - acceleration/energy drift too large 2.45568736347852 - 10.6743815375824 split increased to 2 itime 382688 - itsplit 1 - acceleration/energy drift too large 3.00502881564515 - 11.1167642206121 split increased to 2 itime 382693 - itsplit 1 - acceleration/energy drift too large 4.45403046181535 - 13.5370354091093 split increased to 2 itime 382695 - itsplit 1 - acceleration/energy drift too large 3.14731396235418 - 13.8290431674902 split increased to 2 itime 382696 - itsplit 1 - acceleration/energy drift too large 3.98921617707315 - 11.2147469522658 split increased to 2 itime 382699 - itsplit 1 - acceleration/energy drift too large 2.61896527575490 - 13.8509504248820 split increased to 2 itime 382700 - itsplit 1 - acceleration/energy drift too large 1.80259983781124 - 11.6235338424880 split increased to 2 itime 382703 - itsplit 1 - acceleration/energy drift too large 3.45240476623285 - 28.1173642487581 split increased to 2 itime 382704 - itsplit 1 - acceleration/energy drift too large 2.92499531337828 - 15.6886297605196 split increased to 2 itime 382706 - itsplit 1 - acceleration/energy drift too large 3.14688636875288 - 10.5810606950739 split increased to 2 itime 382743 - itsplit 1 - acceleration/energy drift too large 5.38187900487252 - 15.6119570943446 split increased to 2 itime 383181 - itsplit 1 - acceleration/energy drift too large 3.40560218819624 - 11.1989799015270 split increased to 2 itime 383205 - itsplit 1 - acceleration/energy drift too large 15.0300595531574 - 72.6828183843637 split increased to 2 itime 383258 - itsplit 1 - acceleration/energy drift too large 3.50681192932536 - 18.1719163013972 split increased to 4 itime 383258 + acceleration/energy drift too large 3.71413260669478 + 20.6170389786129 split increased to 4 itime 590925 itsplit 2 - acceleration/energy drift too large 4.42597474910102 - 10.3873239199870 split increased to 2 itime 383398 - itsplit 1 - acceleration/energy drift too large 2.82839492484402 - 10.3041085482147 split increased to 2 itime 383399 + acceleration/energy drift too large 5.51494013469141 + 16.0336040785288 split increased to 2 itime 592224 itsplit 1 - acceleration/energy drift too large 2.31065591028526 - 14.0961243406389 split increased to 2 itime 384826 + acceleration/energy drift too large 4.45216777613609 + 10.0183789134888 split increased to 2 itime 592225 itsplit 1 - acceleration/energy drift too large 4.32376079289063 - 14.2760729455425 split increased to 2 itime 387578 + acceleration/energy drift too large 3.10040440846196 + 10.3541903991900 split increased to 2 itime 592563 itsplit 1 - acceleration/energy drift too large 6.22224590320130 - 23.2622033217460 split increased to 2 itime 389515 + acceleration/energy drift too large 5.36627123022187 + 10.2780892272313 split increased to 2 itime 595104 itsplit 1 - acceleration/energy drift too large 4.11868393786114 - 13.1989751234863 split increased to 2 itime 389536 + acceleration/energy drift too large 2.44173381520636 + 13.8192908210974 split increased to 2 itime 595446 itsplit 1 - acceleration/energy drift too large 2.38609605549212 - 13.4442311340799 split increased to 2 itime 391173 + acceleration/energy drift too large 9.69263911904402 + 44.3222562049126 split increased to 2 itime 597435 itsplit 1 - acceleration/energy drift too large 4.87185971377541 - 13.2555572989754 split increased to 2 itime 393717 + acceleration/energy drift too large 12.0335115752171 + 57.6104710240538 split increased to 2 itime 598577 itsplit 1 - acceleration/energy drift too large 2.84827685267221 - 11.7992910888368 split increased to 2 itime 395735 - itsplit 1 - acceleration/energy drift too large 3.06688128461116 - 18.2177494315470 split increased to 2 itime 396129 - itsplit 1 - acceleration/energy drift too large 4.94959495163784 - 21.9428922034808 split increased to 2 itime 396665 - itsplit 1 - acceleration/energy drift too large 6.00282177724514 - 15.2674391807296 split increased to 2 itime 398049 - itsplit 1 - acceleration/energy drift too large 6.14389501012137 - 25.8228966295308 split increased to 2 itime 398140 - itsplit 1 - acceleration/energy drift too large 3.87032505194854 - 10.0387349716506 split increased to 2 itime 398418 - itsplit 1 - acceleration/energy drift too large 2.70013772758495 - 12.5987823780450 split increased to 2 itime 399311 + acceleration/energy drift too large 2.79641289552280 + 13.4043077783830 split increased to 4 itime 598577 + itsplit 2 + acceleration/energy drift too large 2.22726855821489 + 10.1267312261811 split increased to 2 itime 599309 itsplit 1 - REMD synchro at 400000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + REMD synchro at 600000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 184.914062500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 237.109375000000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.50000 4 -ACC 2 260.00000 0.25000 4 -ACC 3 270.00000 1.00000 4 -ACC 4 280.00000 0.75000 4 -ACC 5 290.00000 0.50000 4 -ACC 6 300.00000 0.50000 4 -ACC 7 310.00000 0.50000 4 -ACC 8 320.00000 0.50000 4 -ACC 9 330.00000 1.00000 4 -ACC 10 340.00000 0.25000 4 -ACC 11 350.00000 1.00000 4 -ACC 12 360.00000 1.00000 4 -ACC 13 370.00000 0.75000 4 -ACC 14 380.00000 1.00000 4 -ACC 15 390.00000 0.75000 4 +ACC 1 250.00000 0.16667 6 +ACC 2 260.00000 1.00000 6 +ACC 3 270.00000 0.33333 6 +ACC 4 280.00000 0.50000 6 +ACC 5 290.00000 0.66667 6 +ACC 6 300.00000 1.00000 6 +ACC 7 310.00000 0.50000 6 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 5.85520537392789 - 11.1914277030609 split increased to 2 itime 401084 - itsplit 1 - acceleration/energy drift too large 5.47528736735100 - 39.9006581618372 split increased to 2 itime 401233 - itsplit 1 - acceleration/energy drift too large 6.24649165066902 - 26.3496783631124 split increased to 2 itime 401287 + acceleration/energy drift too large 5.58546343444704 + 15.0548641884903 split increased to 2 itime 601878 itsplit 1 - acceleration/energy drift too large 5.03548107969719 - 27.8360541468611 split increased to 2 itime 401288 + acceleration/energy drift too large 5.52809146262567 + 17.4916928437900 split increased to 2 itime 602411 itsplit 1 - acceleration/energy drift too large 4.55219546603872 - 18.7432090374252 split increased to 2 itime 401553 + acceleration/energy drift too large 5.27520661432915 + 28.4260245745983 split increased to 2 itime 604903 itsplit 1 - acceleration/energy drift too large 3.79570344607287 - 16.7536089092949 split increased to 2 itime 402000 + acceleration/energy drift too large 10.7091604673618 + 48.6458205610094 split increased to 2 itime 605354 itsplit 1 - acceleration/energy drift too large 19.9538723098051 - 136.778879083221 split increased to 2 itime 402813 + acceleration/energy drift too large 13.3983519341439 + 68.9624238506460 split increased to 2 itime 605983 itsplit 1 - acceleration/energy drift too large 11.9273881298698 - 68.8112888160456 split increased to 2 itime 403052 - itsplit 1 - acceleration/energy drift too large 5.64835318644978 - 15.6124278053436 split increased to 2 itime 403166 - itsplit 1 - acceleration/energy drift too large 4.90839944700627 - 25.4769502323614 split increased to 2 itime 403544 - itsplit 1 - acceleration/energy drift too large 6.37483150377316 - 25.2365959619238 split increased to 2 itime 403869 - itsplit 1 - acceleration/energy drift too large 11.5227019908042 - 55.4968938038695 split increased to 2 itime 405255 - itsplit 1 - acceleration/energy drift too large 3.02220635939265 - 14.2158428337146 split increased to 2 itime 405801 - itsplit 1 - acceleration/energy drift too large 5.47772949901818 - 26.0468157683956 split increased to 2 itime 406650 - itsplit 1 - acceleration/energy drift too large 4.88367454625760 - 24.9833620350021 split increased to 2 itime 408576 - itsplit 1 - acceleration/energy drift too large 2.96324011873706 - 15.6625400097054 split increased to 2 itime 409020 - itsplit 1 - acceleration/energy drift too large 12.0546227442799 - 53.2811483112195 split increased to 2 itime 410659 - itsplit 1 - acceleration/energy drift too large 4.83647582607957 - 11.2679320782354 split increased to 2 itime 413242 - itsplit 1 - acceleration/energy drift too large 5.42412142214840 - 25.6003831424766 split increased to 2 itime 413823 - itsplit 1 - acceleration/energy drift too large 4.12084032632098 - 22.1955863811513 split increased to 2 itime 413826 - itsplit 1 - acceleration/energy drift too large 4.35494142265173 - 16.2509414984561 split increased to 2 itime 417039 - itsplit 1 - acceleration/energy drift too large 3.01559189654776 - 13.6322158034792 split increased to 2 itime 417578 - itsplit 1 - acceleration/energy drift too large 3.02249475457727 - 13.0137770781576 split increased to 2 itime 417598 - itsplit 1 - acceleration/energy drift too large 5.99913042454337 - 11.6864538119046 split increased to 2 itime 418902 - itsplit 1 - acceleration/energy drift too large 8.01148815591671 - 20.2788100622780 split increased to 2 itime 420993 - itsplit 1 - acceleration/energy drift too large 4.91828907585418 - 15.8151143999596 split increased to 2 itime 421330 - itsplit 1 - acceleration/energy drift too large 2.85665406457499 - 15.3684988491513 split increased to 2 itime 422274 - itsplit 1 - acceleration/energy drift too large 2.99880757950521 - 20.7329257606512 split increased to 2 itime 423159 - itsplit 1 - acceleration/energy drift too large 6.37421859212173 - 11.6086908359721 split increased to 2 itime 425490 - itsplit 1 - acceleration/energy drift too large 5.02234296771294 - 23.7231399436101 split increased to 2 itime 425502 - itsplit 1 - acceleration/energy drift too large 5.12132303074461 - 28.7307413438979 split increased to 2 itime 426011 - itsplit 1 - acceleration/energy drift too large 4.28953906808678 - 15.5810539210091 split increased to 2 itime 426986 - itsplit 1 - acceleration/energy drift too large 5.34990711553365 - 21.1831012560758 split increased to 2 itime 427636 - itsplit 1 - acceleration/energy drift too large 2.95240172024907 - 10.2312076087409 split increased to 2 itime 427912 - itsplit 1 - acceleration/energy drift too large 11.3395487901503 - 59.2552800860074 split increased to 2 itime 428078 - itsplit 1 - acceleration/energy drift too large 3.35487217515315 - 10.9826658480654 split increased to 2 itime 429206 - itsplit 1 - acceleration/energy drift too large 4.17974198030410 - 14.0497328569360 split increased to 2 itime 431060 - itsplit 1 - acceleration/energy drift too large 2.40069357778661 - 18.3301511781616 split increased to 2 itime 431061 + acceleration/energy drift too large 3.16205608757604 + 15.4900686421038 split increased to 4 itime 605983 + itsplit 2 + acceleration/energy drift too large 2.66091884482526 + 13.3206883662034 split increased to 2 itime 606006 itsplit 1 - acceleration/energy drift too large 2.60319023263794 - 13.4381568243776 split increased to 2 itime 431895 + acceleration/energy drift too large 6.08358463547764 + 27.1217834383387 split increased to 2 itime 609632 itsplit 1 - acceleration/energy drift too large 7.68853048176571 - 21.0400435076881 split increased to 2 itime 432669 + acceleration/energy drift too large 6.25250056843083 + 11.4491403874430 split increased to 2 itime 609684 itsplit 1 - acceleration/energy drift too large 3.74997833756420 - 11.0986666311506 split increased to 2 itime 432689 + acceleration/energy drift too large 4.83622938333850 + 13.0407062469096 split increased to 2 itime 610728 itsplit 1 - acceleration/energy drift too large 4.48348175777877 - 14.3333209238640 split increased to 2 itime 433554 + acceleration/energy drift too large 2.95605734475806 + 11.9787969223421 split increased to 2 itime 611550 itsplit 1 - acceleration/energy drift too large 3.20734873633366 - 10.8983630472182 split increased to 2 itime 434040 + acceleration/energy drift too large 13.4930954611733 + 73.9062338473796 split increased to 2 itime 614180 itsplit 1 - acceleration/energy drift too large 3.04670744550587 - 16.9233242865536 split increased to 2 itime 434130 + acceleration/energy drift too large 2.91153716177087 + 15.8821454416596 split increased to 4 itime 614180 + itsplit 2 + acceleration/energy drift too large 4.06572241737329 + 11.8108467775741 split increased to 2 itime 615925 itsplit 1 - acceleration/energy drift too large 4.64423433484755 - 27.4863813192025 split increased to 2 itime 434237 + acceleration/energy drift too large 2.62647171683830 + 13.0013702410149 split increased to 2 itime 616220 itsplit 1 - acceleration/energy drift too large 2.90179637195793 - 11.3017399816840 split increased to 2 itime 434284 + acceleration/energy drift too large 4.05099726855354 + 11.3958267635391 split increased to 2 itime 616626 itsplit 1 - acceleration/energy drift too large 5.73018814341032 - 31.7301902903985 split increased to 2 itime 434464 + acceleration/energy drift too large 4.16491863219391 + 10.6155862426420 split increased to 2 itime 618680 itsplit 1 - acceleration/energy drift too large 4.09504432219197 - 16.4862347990116 split increased to 2 itime 434572 + acceleration/energy drift too large 2.41942223273229 + 10.9988570424266 split increased to 2 itime 622690 itsplit 1 - acceleration/energy drift too large 4.80145640307585 - 22.0339340632197 split increased to 2 itime 435182 + acceleration/energy drift too large 6.27090818302612 + 17.8341402870532 split increased to 2 itime 623203 itsplit 1 - acceleration/energy drift too large 4.13076452198420 - 21.5117104689005 split increased to 2 itime 435690 + acceleration/energy drift too large 3.30319687192904 + 10.6416920545302 split increased to 2 itime 623301 itsplit 1 - acceleration/energy drift too large 1.73775289702704 - 11.4840716332054 split increased to 2 itime 437247 + acceleration/energy drift too large 4.41300470265790 + 11.7638616535732 split increased to 2 itime 627403 itsplit 1 - acceleration/energy drift too large 5.48999206942759 - 34.9135705829164 split increased to 2 itime 437751 + acceleration/energy drift too large 3.09923768567914 + 10.7253101609193 split increased to 2 itime 631853 itsplit 1 - acceleration/energy drift too large 3.72428381800589 - 17.2985388005026 split increased to 2 itime 437822 + acceleration/energy drift too large 5.62796992462099 + 10.3503562492554 split increased to 2 itime 632864 itsplit 1 - acceleration/energy drift too large 3.27342280752035 - 26.4686091349157 split increased to 2 itime 438342 + acceleration/energy drift too large 2.96135814596404 + 10.1756354165387 split increased to 2 itime 635363 itsplit 1 - acceleration/energy drift too large 7.79189491903860 - 29.4669775516769 split increased to 2 itime 438575 + acceleration/energy drift too large 2.80933381483433 + 10.3437431241457 split increased to 2 itime 635467 itsplit 1 - acceleration/energy drift too large 5.16801698086677 - 31.8882621646102 split increased to 2 itime 439244 + acceleration/energy drift too large 3.23269975789914 + 10.4154201891087 split increased to 2 itime 635502 itsplit 1 - acceleration/energy drift too large 9.18408479538560 - 43.1997932594915 split increased to 2 itime 439449 + acceleration/energy drift too large 10.4255130609354 + 47.4938112377871 split increased to 2 itime 638911 itsplit 1 - acceleration/energy drift too large 4.09970844346303 - 13.2471520322388 split increased to 2 itime 439451 + acceleration/energy drift too large 5.87198866748517 + 18.7968098752258 split increased to 2 itime 640260 itsplit 1 - acceleration/energy drift too large 4.78958898635655 - 23.9868019719558 split increased to 2 itime 440687 + acceleration/energy drift too large 1.90355444256178 + 10.0243694970490 split increased to 2 itime 643660 itsplit 1 - acceleration/energy drift too large 3.83961939949008 - 17.9522818425926 split increased to 2 itime 440953 + acceleration/energy drift too large 6.00662908239308 + 18.5934523705130 split increased to 2 itime 646880 itsplit 1 - acceleration/energy drift too large 3.59295343388282 - 14.8007912762092 split increased to 2 itime 442747 + acceleration/energy drift too large 7.49660344390383 + 20.5238748314072 split increased to 2 itime 647821 itsplit 1 - acceleration/energy drift too large 3.27154019479899 - 20.2807578406019 split increased to 2 itime 442977 + acceleration/energy drift too large 2.73347226218210 + 10.6018274332205 split increased to 2 itime 651091 itsplit 1 - acceleration/energy drift too large 5.31929647508473 - 16.3257038680913 split increased to 2 itime 444172 + acceleration/energy drift too large 4.95846274240792 + 17.4485778837620 split increased to 2 itime 651610 itsplit 1 - acceleration/energy drift too large 5.05091822853998 - 10.2937212369324 split increased to 2 itime 445847 + acceleration/energy drift too large 4.45714053539027 + 13.3830812958228 split increased to 2 itime 651859 itsplit 1 - acceleration/energy drift too large 6.81897530390985 - 19.0702254260379 split increased to 2 itime 447267 + acceleration/energy drift too large 5.22466369019300 + 13.5535213352147 split increased to 2 itime 651860 itsplit 1 - acceleration/energy drift too large 8.84860238142054 - 30.3071608394985 split increased to 2 itime 447472 + acceleration/energy drift too large 3.83020050998954 + 12.3136388280477 split increased to 2 itime 654074 itsplit 1 - acceleration/energy drift too large 4.60804289581258 - 11.3648340782750 split increased to 2 itime 447524 + acceleration/energy drift too large 8.19583179155746 + 26.5283706841122 split increased to 2 itime 656670 itsplit 1 - acceleration/energy drift too large 4.51462168534791 - 18.7633552544577 split increased to 2 itime 449284 + acceleration/energy drift too large 5.52015940770695 + 30.6647644951820 split increased to 2 itime 656826 itsplit 1 - acceleration/energy drift too large 6.50539329350082 - 14.3662250443147 split increased to 2 itime 451754 + acceleration/energy drift too large 6.15072083966337 + 16.7381585501766 split increased to 2 itime 657528 itsplit 1 - acceleration/energy drift too large 5.99102483501965 - 14.8406043192281 split increased to 2 itime 453255 + acceleration/energy drift too large 3.35944508135426 + 13.3468361226162 split increased to 2 itime 657566 itsplit 1 - acceleration/energy drift too large 2.34283276344341 - 10.8449788881703 split increased to 2 itime 454881 + acceleration/energy drift too large 3.92379124958539 + 23.8904289152300 split increased to 2 itime 660743 itsplit 1 - acceleration/energy drift too large 2.88862527983168 - 10.6158020828451 split increased to 2 itime 456046 + acceleration/energy drift too large 6.27215536868314 + 19.7485597493940 split increased to 2 itime 660953 itsplit 1 - acceleration/energy drift too large 3.45224943509093 - 27.3806423741949 split increased to 2 itime 460953 + acceleration/energy drift too large 5.58874584037967 + 21.3180473977209 split increased to 2 itime 662305 itsplit 1 - acceleration/energy drift too large 9.78608930179663 - 65.6222759930618 split increased to 2 itime 461725 + acceleration/energy drift too large 2.47105745086375 + 10.8315379730362 split increased to 2 itime 664015 itsplit 1 - acceleration/energy drift too large 2.61505775112932 - 10.3176720714059 split increased to 2 itime 462973 + acceleration/energy drift too large 4.14784651207851 + 12.6777020756079 split increased to 2 itime 664447 itsplit 1 - acceleration/energy drift too large 3.23564212626803 - 11.5624323967677 split increased to 2 itime 463795 + acceleration/energy drift too large 6.61942475059945 + 22.7582893899522 split increased to 2 itime 666018 itsplit 1 - acceleration/energy drift too large 5.85576824463566 - 36.5527882995749 split increased to 2 itime 464010 + acceleration/energy drift too large 6.05590419311435 + 16.7644675771342 split increased to 2 itime 666084 itsplit 1 - acceleration/energy drift too large 9.92886712895449 - 39.4818005433922 split increased to 2 itime 464763 + acceleration/energy drift too large 4.71957983398420 + 10.5101148846043 split increased to 2 itime 671495 itsplit 1 - acceleration/energy drift too large 2.31155506361289 - 12.3737241897432 split increased to 2 itime 465120 + acceleration/energy drift too large 5.87757269010418 + 14.7966932352975 split increased to 2 itime 676781 itsplit 1 - acceleration/energy drift too large 5.71029719713249 - 12.9447391886482 split increased to 2 itime 465304 + acceleration/energy drift too large 4.70268396608510 + 11.6312329467050 split increased to 2 itime 680262 itsplit 1 - acceleration/energy drift too large 3.71529365486043 - 10.5965546312035 split increased to 2 itime 465408 + acceleration/energy drift too large 2.30741255261367 + 12.7487854698828 split increased to 2 itime 683617 itsplit 1 - acceleration/energy drift too large 5.04095527802420 - 16.6845067872505 split increased to 2 itime 466581 + acceleration/energy drift too large 2.67744296955034 + 10.8174126600248 split increased to 2 itime 684868 itsplit 1 - acceleration/energy drift too large 3.17881117329178 - 10.9486141388178 split increased to 2 itime 466652 + acceleration/energy drift too large 2.24912250262123 + 10.0170929220302 split increased to 2 itime 684964 itsplit 1 - acceleration/energy drift too large 6.12340982716428 - 12.3587224576679 split increased to 2 itime 467446 + acceleration/energy drift too large 4.56958484558269 + 11.9543016156776 split increased to 2 itime 685024 itsplit 1 - acceleration/energy drift too large 6.42261678838877 - 14.3127974791671 split increased to 2 itime 468163 + acceleration/energy drift too large 4.69120876127575 + 13.2506867305285 split increased to 2 itime 685270 itsplit 1 - acceleration/energy drift too large 5.34804721191135 - 25.1248262260255 split increased to 2 itime 470390 + acceleration/energy drift too large 4.24753499051130 + 14.0617669655862 split increased to 2 itime 686190 itsplit 1 - acceleration/energy drift too large 2.78242516931406 - 24.5686548768749 split increased to 2 itime 470391 + acceleration/energy drift too large 5.65742273820710 + 15.3199501889026 split increased to 2 itime 691808 itsplit 1 - acceleration/energy drift too large 5.40759402244583 - 12.4338366409876 split increased to 2 itime 471315 + acceleration/energy drift too large 2.71552843573751 + 20.9363108725842 split increased to 2 itime 696360 itsplit 1 - acceleration/energy drift too large 3.43462081885611 - 10.4570252408813 split increased to 2 itime 473371 + acceleration/energy drift too large 2.68882845348470 + 10.8476205629594 split increased to 2 itime 696431 itsplit 1 - acceleration/energy drift too large 4.21024612642277 - 12.2012163864496 split increased to 2 itime 473849 + acceleration/energy drift too large 2.55133505303908 + 10.0691708036634 split increased to 2 itime 696453 itsplit 1 - acceleration/energy drift too large 6.47248342585038 - 23.2750175444231 split increased to 2 itime 476562 + REMD synchro at 700000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 277.035156250000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.14286 7 +ACC 2 260.00000 0.85714 7 +ACC 3 270.00000 0.42857 7 +ACC 4 280.00000 0.42857 7 +ACC 5 290.00000 0.57143 7 +ACC 6 300.00000 1.00000 7 +ACC 7 310.00000 0.57143 7 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 6.22266890588796 + 12.6661075702502 split increased to 2 itime 700068 itsplit 1 - acceleration/energy drift too large 4.40857045858804 - 10.2928721662550 split increased to 2 itime 476563 + acceleration/energy drift too large 9.51331039119436 + 46.5884930839135 split increased to 2 itime 702152 itsplit 1 - acceleration/energy drift too large 5.73203882604110 - 12.9272193324235 split increased to 2 itime 477965 + acceleration/energy drift too large 3.96521624926443 + 13.5199319773856 split increased to 2 itime 703020 itsplit 1 - acceleration/energy drift too large 4.59792919422320 - 23.9741804227690 split increased to 2 itime 478397 + acceleration/energy drift too large 2.31769733540108 + 11.2623959237660 split increased to 2 itime 703713 itsplit 1 - acceleration/energy drift too large 2.12848418843641 - 12.8294118053031 split increased to 2 itime 479376 + acceleration/energy drift too large 3.14013338796327 + 10.1392006128887 split increased to 2 itime 704579 itsplit 1 - acceleration/energy drift too large 3.34277430445103 - 10.2341156419797 split increased to 2 itime 479989 + acceleration/energy drift too large 4.30260026694695 + 10.8277639501245 split increased to 2 itime 704633 itsplit 1 - acceleration/energy drift too large 4.10294673604326 - 10.9425615649003 split increased to 2 itime 479994 + acceleration/energy drift too large 3.79340602147752 + 10.2174202512299 split increased to 2 itime 704653 itsplit 1 - acceleration/energy drift too large 3.91353713989020 - 10.0254200136228 split increased to 2 itime 480019 + acceleration/energy drift too large 3.90712629883964 + 10.7558970446412 split increased to 2 itime 704697 itsplit 1 - acceleration/energy drift too large 12.7928639463399 - 60.6093307597738 split increased to 2 itime 481130 + acceleration/energy drift too large 2.57072438235097 + 10.1708785450332 split increased to 2 itime 704714 itsplit 1 - acceleration/energy drift too large 4.54190447801872 - 15.0966623236882 split increased to 2 itime 481436 + acceleration/energy drift too large 2.32481535748189 + 10.0992584273175 split increased to 2 itime 704731 itsplit 1 - acceleration/energy drift too large 11.3750151483190 - 50.8460668713684 split increased to 2 itime 485004 + acceleration/energy drift too large 2.99259910061795 + 11.9263837798394 split increased to 2 itime 704803 itsplit 1 - acceleration/energy drift too large 2.95385848089599 - 14.3594193685555 split increased to 4 itime 485004 - itsplit 2 - acceleration/energy drift too large 6.73781478793935 - 32.9454284995317 split increased to 2 itime 485322 + acceleration/energy drift too large 2.82185404611476 + 11.7890904603667 split increased to 2 itime 704809 itsplit 1 - acceleration/energy drift too large 5.75179019349930 - 18.1874617364143 split increased to 2 itime 486692 + acceleration/energy drift too large 4.93060823139295 + 11.3672797038217 split increased to 2 itime 704935 itsplit 1 - acceleration/energy drift too large 3.71394957508847 - 10.7017947596753 split increased to 2 itime 488013 + acceleration/energy drift too large 6.29362157794411 + 23.0408089547767 split increased to 2 itime 706379 itsplit 1 - acceleration/energy drift too large 5.30188558781754 - 14.2334926654815 split increased to 2 itime 490550 + acceleration/energy drift too large 4.15499683296232 + 14.4548981011180 split increased to 2 itime 709005 itsplit 1 - acceleration/energy drift too large 4.55094542654810 - 25.6245229913296 split increased to 2 itime 492231 + acceleration/energy drift too large 5.85433210797833 + 12.9809461776784 split increased to 2 itime 709899 itsplit 1 - acceleration/energy drift too large 4.80713564381476 - 17.9145273120508 split increased to 2 itime 493027 + acceleration/energy drift too large 6.37249040788880 + 10.1845088664188 split increased to 2 itime 711292 itsplit 1 - acceleration/energy drift too large 3.66561499835934 - 14.7155455736880 split increased to 2 itime 493152 + acceleration/energy drift too large 2.43871175449653 + 12.0194665995961 split increased to 2 itime 711336 itsplit 1 - acceleration/energy drift too large 3.95819541109023 - 10.7746336122154 split increased to 2 itime 493157 + acceleration/energy drift too large 4.91036013100709 + 14.2538814376394 split increased to 2 itime 712027 itsplit 1 - acceleration/energy drift too large 4.20281664887109 - 11.7441760308973 split increased to 2 itime 493173 + acceleration/energy drift too large 7.11866966174388 + 12.8125687896244 split increased to 2 itime 712028 itsplit 1 - acceleration/energy drift too large 3.80692589539098 - 11.2696311252196 split increased to 2 itime 493191 + acceleration/energy drift too large 2.06789994113342 + 10.7297438434284 split increased to 2 itime 712844 itsplit 1 - acceleration/energy drift too large 4.18003772677921 - 11.5727112451472 split increased to 2 itime 493215 + acceleration/energy drift too large 5.91841175101234 + 21.0639236808578 split increased to 2 itime 714602 itsplit 1 - acceleration/energy drift too large 4.36529927874289 - 18.5264721926763 split increased to 2 itime 493661 + acceleration/energy drift too large 2.14729074036192 + 11.6876187789188 split increased to 2 itime 715010 itsplit 1 - acceleration/energy drift too large 4.19693770726016 - 12.2054542295134 split increased to 2 itime 493829 + acceleration/energy drift too large 1.37558015177382 + 10.6762540083382 split increased to 2 itime 718072 itsplit 1 - acceleration/energy drift too large 6.53661152734394 - 12.5302550482339 split increased to 2 itime 499372 + acceleration/energy drift too large 7.88001573400738 + 16.7010510809287 split increased to 2 itime 719960 itsplit 1 - acceleration/energy drift too large 3.22997621892815 - 13.6338618568845 split increased to 2 itime 499697 + acceleration/energy drift too large 5.50961900450896 + 20.9418275826827 split increased to 2 itime 720707 itsplit 1 - REMD synchro at 500000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 230.730468750000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 - NREP 16 -ACC 1 250.00000 0.40000 5 -ACC 2 260.00000 0.40000 5 -ACC 3 270.00000 1.00000 5 -ACC 4 280.00000 0.60000 5 -ACC 5 290.00000 0.40000 5 -ACC 6 300.00000 0.60000 5 -ACC 7 310.00000 0.60000 5 -ACC 8 320.00000 0.40000 5 -ACC 9 330.00000 1.00000 5 -ACC 10 340.00000 0.40000 5 -ACC 11 350.00000 1.00000 5 -ACC 12 360.00000 1.00000 5 -ACC 13 370.00000 0.80000 5 -ACC 14 380.00000 0.80000 5 -ACC 15 390.00000 0.80000 5 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 7.30114365090927 - 20.9394571298247 split increased to 2 itime 502331 + acceleration/energy drift too large 5.64194229379561 + 17.5436546543736 split increased to 2 itime 720750 itsplit 1 - acceleration/energy drift too large 6.26211787725750 - 31.3065781609040 split increased to 2 itime 502554 + acceleration/energy drift too large 3.79069110714974 + 10.4397124133296 split increased to 2 itime 721129 itsplit 1 - acceleration/energy drift too large 2.81716055666825 - 18.0445010356465 split increased to 2 itime 502946 + acceleration/energy drift too large 6.16434414605557 + 17.2978104861773 split increased to 2 itime 723275 itsplit 1 - acceleration/energy drift too large 2.46298337975733 - 11.1344969262833 split increased to 2 itime 503043 + acceleration/energy drift too large 2.18866433835450 + 12.0872562691630 split increased to 2 itime 724159 itsplit 1 - acceleration/energy drift too large 3.43937504573531 - 10.6345801227653 split increased to 2 itime 504149 + acceleration/energy drift too large 1.92793341597504 + 11.6349468563801 split increased to 2 itime 724173 itsplit 1 - acceleration/energy drift too large 2.97273473172716 - 26.1550591522357 split increased to 2 itime 504299 + acceleration/energy drift too large 10.3477291010657 + 51.1382922793785 split increased to 2 itime 724413 itsplit 1 - acceleration/energy drift too large 4.23642920834176 - 10.6472833315762 split increased to 2 itime 506897 + acceleration/energy drift too large 4.74872353084568 + 14.3388923931449 split increased to 2 itime 724864 itsplit 1 - acceleration/energy drift too large 5.70728485372897 - 19.7893702394482 split increased to 2 itime 507928 + acceleration/energy drift too large 4.54821629271186 + 10.1563648822652 split increased to 2 itime 725474 itsplit 1 - acceleration/energy drift too large 5.45159875596180 - 18.5180835782251 split increased to 2 itime 517317 + acceleration/energy drift too large 3.04487599446844 + 10.5098884587661 split increased to 2 itime 725556 itsplit 1 - acceleration/energy drift too large 4.55455490539076 - 14.7463576593996 split increased to 2 itime 517322 + acceleration/energy drift too large 1.74252407607005 + 10.5560182171380 split increased to 2 itime 725562 itsplit 1 - acceleration/energy drift too large 5.27560899024421 - 13.4634524855430 split increased to 2 itime 517329 + acceleration/energy drift too large 3.65588481295424 + 11.3761342370342 split increased to 2 itime 725652 itsplit 1 - acceleration/energy drift too large 3.79898697287969 - 13.5417032333128 split increased to 2 itime 517332 + acceleration/energy drift too large 12.9162686863904 + 58.0407274520310 split increased to 2 itime 727423 itsplit 1 - acceleration/energy drift too large 3.08504290932879 - 10.6601394350086 split increased to 2 itime 517339 + acceleration/energy drift too large 2.99709526832101 + 11.9844223981653 split increased to 2 itime 728538 itsplit 1 - acceleration/energy drift too large 2.37603168964617 - 12.5844220606046 split increased to 2 itime 520358 + acceleration/energy drift too large 3.25691131706594 + 17.0932412937603 split increased to 2 itime 728928 itsplit 1 - acceleration/energy drift too large 3.32873269198684 - 15.1015445544590 split increased to 2 itime 523336 + acceleration/energy drift too large 8.29471280000083 + 28.4247317904830 split increased to 2 itime 729033 itsplit 1 - acceleration/energy drift too large 2.60979726024562 - 10.9126520420714 split increased to 2 itime 525819 + acceleration/energy drift too large 4.46197633984267 + 13.8385655572551 split increased to 2 itime 730125 itsplit 1 - acceleration/energy drift too large 5.07575040208828 - 11.6821543637996 split increased to 2 itime 529018 + acceleration/energy drift too large 2.33043471461783 + 11.5594750922131 split increased to 2 itime 730380 itsplit 1 - acceleration/energy drift too large 4.20209240193991 - 10.9130647133098 split increased to 2 itime 529975 + acceleration/energy drift too large 3.33095258859194 + 10.5290068329757 split increased to 2 itime 730465 itsplit 1 - acceleration/energy drift too large 13.4082027926156 - 73.6558333036112 split increased to 2 itime 529992 + acceleration/energy drift too large 3.52812084852736 + 10.5249371233442 split increased to 2 itime 733411 itsplit 1 - acceleration/energy drift too large 3.80119032501309 - 11.0699009840681 split increased to 2 itime 530232 + acceleration/energy drift too large 3.09534534055926 + 10.8869033703203 split increased to 2 itime 733490 itsplit 1 - acceleration/energy drift too large 2.98605614779717 - 10.6724572554363 split increased to 2 itime 533054 + acceleration/energy drift too large 6.81656746870041 + 18.5260397263884 split increased to 2 itime 736492 itsplit 1 - acceleration/energy drift too large 9.57394826980568 - 42.9715071694810 split increased to 2 itime 533992 + acceleration/energy drift too large 2.37441913926064 + 10.0831657586972 split increased to 2 itime 737486 itsplit 1 - acceleration/energy drift too large 4.02730862918485 - 14.8626080714087 split increased to 2 itime 534372 + acceleration/energy drift too large 3.28860019907596 + 13.6743085791983 split increased to 2 itime 737490 itsplit 1 - acceleration/energy drift too large 3.46246317816392 - 10.0454823044400 split increased to 2 itime 537465 + acceleration/energy drift too large 6.06172075079157 + 11.3267029982673 split increased to 2 itime 737492 itsplit 1 - acceleration/energy drift too large 4.04660294147892 - 15.9914207930171 split increased to 2 itime 537700 + acceleration/energy drift too large 2.77463062763506 + 15.5797344382572 split increased to 2 itime 737493 itsplit 1 - acceleration/energy drift too large 5.55080564240151 - 16.3683074359074 split increased to 2 itime 537911 + acceleration/energy drift too large 3.22343911246678 + 17.6986544451253 split increased to 2 itime 739320 itsplit 1 - acceleration/energy drift too large 6.63989027623059 - 29.8565402920517 split increased to 2 itime 539565 + acceleration/energy drift too large 4.89875257823104 + 11.4649270392609 split increased to 2 itime 742455 itsplit 1 - acceleration/energy drift too large 2.81050018221707 - 11.6060182178007 split increased to 2 itime 539566 + acceleration/energy drift too large 4.75158497962348 + 12.6082178953383 split increased to 2 itime 744572 itsplit 1 - acceleration/energy drift too large 5.95284111627369 - 14.0649950692351 split increased to 2 itime 540302 + acceleration/energy drift too large 2.74496998422814 + 10.3546918786311 split increased to 2 itime 746090 itsplit 1 - acceleration/energy drift too large 7.09360729157836 - 10.7262803198705 split increased to 2 itime 540410 + acceleration/energy drift too large 5.62501434075069 + 23.7461701691730 split increased to 2 itime 747582 itsplit 1 - acceleration/energy drift too large 5.63880785662400 - 11.0318395926678 split increased to 2 itime 545890 + acceleration/energy drift too large 7.96162609855469 + 30.2392839742710 split increased to 2 itime 749090 itsplit 1 - acceleration/energy drift too large 2.49437492343314 - 10.0347659241073 split increased to 2 itime 546807 + acceleration/energy drift too large 3.42663958022221 + 10.3137392120728 split increased to 2 itime 750002 itsplit 1 - acceleration/energy drift too large 3.63743535995864 - 10.0076749866076 split increased to 2 itime 547449 + acceleration/energy drift too large 3.94798962433313 + 13.5840312731322 split increased to 2 itime 750700 itsplit 1 - acceleration/energy drift too large 3.95117335442258 - 10.4167672025112 split increased to 2 itime 547488 + acceleration/energy drift too large 5.55416200822033 + 11.5922393481714 split increased to 2 itime 750793 itsplit 1 - acceleration/energy drift too large 4.74935729339690 - 12.9214419287871 split increased to 2 itime 548129 + acceleration/energy drift too large 7.37737629259915 + 33.2192898999782 split increased to 2 itime 751143 itsplit 1 - acceleration/energy drift too large 10.0884893980159 - 41.2438904906627 split increased to 2 itime 550487 + acceleration/energy drift too large 9.74765156075217 + 40.5652048236205 split increased to 2 itime 752334 itsplit 1 - acceleration/energy drift too large 4.71146897940437 - 14.2887898261252 split increased to 2 itime 552582 + acceleration/energy drift too large 2.75185830786940 + 14.2839987470299 split increased to 4 itime 752334 + itsplit 2 + acceleration/energy drift too large 8.01415033522304 + 37.9807863381783 split increased to 2 itime 752598 itsplit 1 - acceleration/energy drift too large 3.62359574299086 - 11.3104932815932 split increased to 2 itime 557420 + acceleration/energy drift too large 3.39019241179640 + 11.8851666061507 split increased to 2 itime 752654 itsplit 1 - acceleration/energy drift too large 2.86531866870884 - 18.2563479095014 split increased to 2 itime 560575 + acceleration/energy drift too large 2.71927022721466 + 10.7506677715094 split increased to 2 itime 752662 itsplit 1 - acceleration/energy drift too large 9.07946034675849 - 40.3637864993900 split increased to 2 itime 560775 + acceleration/energy drift too large 3.16063497524178 + 11.5982865238897 split increased to 2 itime 752666 itsplit 1 - acceleration/energy drift too large 4.92664549662622 - 17.8262044491680 split increased to 2 itime 561676 + acceleration/energy drift too large 3.63328760304736 + 10.7779957825044 split increased to 2 itime 752668 itsplit 1 - acceleration/energy drift too large 3.63167671454263 - 21.3158140084775 split increased to 2 itime 562488 + acceleration/energy drift too large 4.54701927735100 + 14.9645381490278 split increased to 2 itime 752670 itsplit 1 - acceleration/energy drift too large 6.14833937579058 - 19.0284321531864 split increased to 2 itime 564835 + acceleration/energy drift too large 2.70267763244291 + 17.9240564782548 split increased to 2 itime 752671 itsplit 1 - acceleration/energy drift too large 5.31218597606807 - 27.5206834052218 split increased to 2 itime 565752 + acceleration/energy drift too large 3.93012845718014 + 17.3955629802141 split increased to 2 itime 752674 itsplit 1 - acceleration/energy drift too large 3.94915216318044 - 13.8232331522680 split increased to 2 itime 565965 + acceleration/energy drift too large 2.53007938244950 + 12.4786302939834 split increased to 2 itime 752675 itsplit 1 - acceleration/energy drift too large 6.56317583403199 - 27.8624290733322 split increased to 2 itime 566005 + acceleration/energy drift too large 1.93592683164267 + 11.3481660210413 split increased to 2 itime 752676 itsplit 1 - acceleration/energy drift too large 6.05701461196987 - 26.0334320096697 split increased to 2 itime 566031 + acceleration/energy drift too large 2.70582264035735 + 14.2620859802954 split increased to 2 itime 752677 itsplit 1 - acceleration/energy drift too large 7.44675016186477 - 18.6865454596865 split increased to 2 itime 567409 + acceleration/energy drift too large 4.69534375261343 + 10.0307207112296 split increased to 2 itime 752680 itsplit 1 - acceleration/energy drift too large 4.81307184554761 - 22.8714744854257 split increased to 2 itime 568270 + acceleration/energy drift too large 3.92375264456935 + 24.4564216859469 split increased to 2 itime 752681 itsplit 1 - acceleration/energy drift too large 3.75155236127697 - 11.6470422075794 split increased to 2 itime 569317 + acceleration/energy drift too large 4.13597688821239 + 12.1091242600619 split increased to 2 itime 752683 itsplit 1 - acceleration/energy drift too large 3.67570471140136 - 11.0474518031134 split increased to 2 itime 569475 + acceleration/energy drift too large 3.30349623467196 + 10.6975070038883 split increased to 2 itime 752699 itsplit 1 - acceleration/energy drift too large 1.87697756897298 - 14.8192601672599 split increased to 2 itime 570696 + acceleration/energy drift too large 2.32553240270026 + 10.6096164382573 split increased to 2 itime 752710 itsplit 1 - acceleration/energy drift too large 5.56461665357079 - 22.0407419031899 split increased to 2 itime 570949 + acceleration/energy drift too large 6.43861795995971 + 23.9445264510033 split increased to 2 itime 754176 itsplit 1 - acceleration/energy drift too large 5.36236926383735 - 19.6472550812229 split increased to 2 itime 571178 + acceleration/energy drift too large 6.65909780895276 + 24.7712700580553 split increased to 2 itime 755802 itsplit 1 - acceleration/energy drift too large 6.43929639997378 - 30.0854308657386 split increased to 2 itime 571738 + acceleration/energy drift too large 6.31224328170568 + 27.8753701959217 split increased to 2 itime 757544 itsplit 1 - acceleration/energy drift too large 3.69808561086469 - 23.9746737579481 split increased to 2 itime 573027 + acceleration/energy drift too large 4.48723279416695 + 11.1611142785821 split increased to 2 itime 760174 itsplit 1 - acceleration/energy drift too large 2.38671373076949 - 11.6830570094362 split increased to 2 itime 574471 + acceleration/energy drift too large 6.34321528508540 + 28.3845570208157 split increased to 2 itime 761469 itsplit 1 - acceleration/energy drift too large 6.41069769738161 - 20.2369633875372 split increased to 2 itime 575110 + acceleration/energy drift too large 4.98912518953887 + 15.9434464120301 split increased to 2 itime 761679 itsplit 1 - acceleration/energy drift too large 5.82872781088437 - 19.9537898261134 split increased to 2 itime 575320 + acceleration/energy drift too large 2.22826320663272 + 10.4591009882225 split increased to 2 itime 763514 itsplit 1 - acceleration/energy drift too large 4.97331465591048 - 11.5439871796580 split increased to 2 itime 575654 + acceleration/energy drift too large 2.02339216982524 + 11.3051217232850 split increased to 2 itime 764060 itsplit 1 - acceleration/energy drift too large 5.83891992281162 - 37.1804672026027 split increased to 2 itime 576539 + acceleration/energy drift too large 3.28425106141271 + 11.0262454110569 split increased to 2 itime 764585 itsplit 1 - acceleration/energy drift too large 4.98708412964233 - 11.3260585633133 split increased to 2 itime 576964 + acceleration/energy drift too large 4.42973235374506 + 12.6205906290086 split increased to 2 itime 765017 itsplit 1 - acceleration/energy drift too large 4.31776881096963 - 16.0826320045904 split increased to 2 itime 577008 + acceleration/energy drift too large 2.94120892814721 + 10.2999938728404 split increased to 2 itime 765207 itsplit 1 - acceleration/energy drift too large 3.28643854525381 - 16.9459737999462 split increased to 2 itime 577532 + acceleration/energy drift too large 3.15715782038621 + 11.6713629185368 split increased to 2 itime 765427 itsplit 1 - acceleration/energy drift too large 2.95839716723756 - 19.2974267331848 split increased to 2 itime 578299 + acceleration/energy drift too large 3.83985778573164 + 10.7037262604643 split increased to 2 itime 765446 itsplit 1 - acceleration/energy drift too large 5.81997251798191 - 15.6667366752339 split increased to 2 itime 578493 + acceleration/energy drift too large 2.53572800981734 + 10.3157938996068 split increased to 2 itime 765482 itsplit 1 - acceleration/energy drift too large 3.48459178352279 - 14.9266720901950 split increased to 2 itime 579225 + acceleration/energy drift too large 2.21298244307038 + 11.1093082892149 split increased to 2 itime 769580 itsplit 1 - acceleration/energy drift too large 13.7251441580511 - 83.1693201180353 split increased to 2 itime 581689 + acceleration/energy drift too large 3.29300495707773 + 13.2049661076360 split increased to 2 itime 771041 itsplit 1 - acceleration/energy drift too large 3.50760731700830 - 11.6473558376562 split increased to 2 itime 582007 + acceleration/energy drift too large 5.45466165996365 + 11.9730532482924 split increased to 2 itime 771074 itsplit 1 - acceleration/energy drift too large 3.27923255810349 - 17.2739375586633 split increased to 2 itime 582044 + acceleration/energy drift too large 2.22016181059518 + 12.1897517361002 split increased to 2 itime 771728 itsplit 1 - acceleration/energy drift too large 2.32086410732743 - 11.7303843680063 split increased to 2 itime 582131 + acceleration/energy drift too large 4.61595200678173 + 12.0665208836666 split increased to 2 itime 774652 itsplit 1 - acceleration/energy drift too large 1.64687033180033 - 13.0770532939428 split increased to 2 itime 583017 + acceleration/energy drift too large 12.5062223036267 + 59.7358890940530 split increased to 2 itime 775245 itsplit 1 - acceleration/energy drift too large 7.15685786998817 - 23.9896443636178 split increased to 2 itime 583555 + acceleration/energy drift too large 5.82877859574045 + 20.4872113237601 split increased to 2 itime 776623 itsplit 1 - acceleration/energy drift too large 2.43675816113552 - 14.4562072529101 split increased to 2 itime 583556 + acceleration/energy drift too large 4.75061268948376 + 19.4190154892775 split increased to 2 itime 776802 itsplit 1 - acceleration/energy drift too large 2.61012515337766 - 21.3193850112083 split increased to 2 itime 584130 + acceleration/energy drift too large 3.76318014509958 + 13.4573827772317 split increased to 2 itime 777059 itsplit 1 - acceleration/energy drift too large 2.77317764221896 - 15.5157664619331 split increased to 2 itime 586140 + acceleration/energy drift too large 3.61202757868461 + 11.5809109827906 split increased to 2 itime 777705 itsplit 1 - acceleration/energy drift too large 2.41866022202931 - 10.5865252856427 split increased to 2 itime 586233 + acceleration/energy drift too large 4.59013567773438 + 19.7737190746432 split increased to 2 itime 779006 itsplit 1 - acceleration/energy drift too large 6.02950707449041 - 22.3707802562223 split increased to 2 itime 586933 + acceleration/energy drift too large 2.47941140224892 + 12.5596786766523 split increased to 2 itime 779100 itsplit 1 - acceleration/energy drift too large 5.13643172748779 - 15.7264187094901 split increased to 2 itime 587066 + acceleration/energy drift too large 4.40850530238053 + 13.3042199927031 split increased to 2 itime 779155 itsplit 1 - acceleration/energy drift too large 2.86565350779000 - 14.0258079763188 split increased to 2 itime 587267 + acceleration/energy drift too large 6.52049828678658 + 30.5147611262913 split increased to 2 itime 779583 itsplit 1 - acceleration/energy drift too large 3.60748899172053 - 16.6118182660075 split increased to 2 itime 587522 + acceleration/energy drift too large 3.96614136123242 + 16.3052873194727 split increased to 2 itime 779694 itsplit 1 - acceleration/energy drift too large 2.89715010258460 - 15.4734431709545 split increased to 2 itime 587715 + acceleration/energy drift too large 2.80761466352017 + 10.8020220812645 split increased to 2 itime 780430 itsplit 1 - acceleration/energy drift too large 2.73624002781895 - 11.3659808582786 split increased to 2 itime 589283 + acceleration/energy drift too large 2.69150725633322 + 11.4320329612564 split increased to 2 itime 780506 itsplit 1 - acceleration/energy drift too large 4.63314860651889 - 19.5059934063783 split increased to 2 itime 589423 + acceleration/energy drift too large 2.31246469838370 + 10.1715031267633 split increased to 2 itime 780534 itsplit 1 - acceleration/energy drift too large 3.78841225335529 - 11.7407192292669 split increased to 2 itime 589439 + acceleration/energy drift too large 2.91305584981933 + 16.0521974514247 split increased to 2 itime 781433 itsplit 1 - acceleration/energy drift too large 3.43705033943645 - 13.2359207393840 split increased to 2 itime 589707 + acceleration/energy drift too large 4.20825139806427 + 10.2831988021314 split increased to 2 itime 785918 itsplit 1 - acceleration/energy drift too large 6.01090090755401 - 16.9237582489499 split increased to 2 itime 589773 + acceleration/energy drift too large 9.28235213637268 + 31.8161089853804 split increased to 2 itime 786211 itsplit 1 - acceleration/energy drift too large 6.08372077980445 - 14.8411270843003 split increased to 2 itime 589780 + acceleration/energy drift too large 6.56612847390236 + 22.1401796718833 split increased to 2 itime 787172 itsplit 1 - acceleration/energy drift too large 2.47645235877464 - 16.0610479982983 split increased to 2 itime 589781 + acceleration/energy drift too large 4.79753464246649 + 14.7871961257921 split increased to 2 itime 787230 itsplit 1 - acceleration/energy drift too large 3.83621357893593 - 16.0376715411910 split increased to 2 itime 593076 + acceleration/energy drift too large 4.53001944401006 + 13.4596297260193 split increased to 2 itime 787404 itsplit 1 - acceleration/energy drift too large 2.86916728074083 - 18.4363552986017 split increased to 2 itime 593480 + acceleration/energy drift too large 3.52590185762793 + 11.0933145233756 split increased to 2 itime 788773 itsplit 1 - acceleration/energy drift too large 3.98869822545720 - 17.7868674122062 split increased to 2 itime 594524 + acceleration/energy drift too large 3.24628595522011 + 10.1379721933316 split increased to 2 itime 788789 itsplit 1 - acceleration/energy drift too large 4.63749766789932 - 16.0839694610795 split increased to 2 itime 594574 + acceleration/energy drift too large 8.13555058663948 + 27.3970801761403 split increased to 2 itime 789193 itsplit 1 - acceleration/energy drift too large 2.41391982523621 - 14.7971190021264 split increased to 2 itime 595027 + acceleration/energy drift too large 4.97947890777512 + 11.8074350454522 split increased to 2 itime 789718 itsplit 1 - acceleration/energy drift too large 3.00813134160393 - 10.8179363274071 split increased to 2 itime 595453 + acceleration/energy drift too large 3.14323754984929 + 22.3580002588657 split increased to 2 itime 790645 itsplit 1 - acceleration/energy drift too large 5.48395278199503 - 20.7136169943632 split increased to 2 itime 596064 + acceleration/energy drift too large 2.93611998222082 + 12.5302668042684 split increased to 2 itime 790754 itsplit 1 - acceleration/energy drift too large 3.51163075698958 - 12.5492787586556 split increased to 2 itime 596076 + acceleration/energy drift too large 4.83192823545234 + 10.1348264580107 split increased to 2 itime 791148 itsplit 1 - acceleration/energy drift too large 4.66035840547395 - 11.3375348174304 split increased to 2 itime 597469 + acceleration/energy drift too large 4.56230792637775 + 12.8050537538552 split increased to 2 itime 791350 itsplit 1 - acceleration/energy drift too large 3.93737093129494 - 16.6011628452674 split increased to 2 itime 597474 + acceleration/energy drift too large 2.65443967226289 + 10.9506323764367 split increased to 2 itime 792428 itsplit 1 - acceleration/energy drift too large 4.02003887033967 - 12.4515520434023 split increased to 2 itime 597660 + acceleration/energy drift too large 1.98530114114582 + 10.2207210542826 split increased to 2 itime 792844 itsplit 1 - acceleration/energy drift too large 3.16871837796467 - 13.3445464973711 split increased to 2 itime 597685 + acceleration/energy drift too large 3.72021028707633 + 17.8879040240107 split increased to 2 itime 793143 itsplit 1 - acceleration/energy drift too large 2.63213636543151 - 11.6412359757452 split increased to 2 itime 599844 + acceleration/energy drift too large 3.61728738110863 + 11.1272742839188 split increased to 2 itime 797798 itsplit 1 - REMD synchro at 600000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + REMD synchro at 800000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 277.093750000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 316.710937500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.33333 6 -ACC 2 260.00000 0.33333 6 -ACC 3 270.00000 1.00000 6 -ACC 4 280.00000 0.66667 6 -ACC 5 290.00000 0.33333 6 -ACC 6 300.00000 0.66667 6 -ACC 7 310.00000 0.66667 6 -ACC 8 320.00000 0.33333 6 -ACC 9 330.00000 1.00000 6 -ACC 10 340.00000 0.50000 6 -ACC 11 350.00000 1.00000 6 -ACC 12 360.00000 1.00000 6 -ACC 13 370.00000 0.83333 6 -ACC 14 380.00000 0.83333 6 -ACC 15 390.00000 0.83333 6 +ACC 1 250.00000 0.12500 8 +ACC 2 260.00000 0.87500 8 +ACC 3 270.00000 0.37500 8 +ACC 4 280.00000 0.37500 8 +ACC 5 290.00000 0.50000 8 +ACC 6 300.00000 1.00000 8 +ACC 7 310.00000 0.50000 8 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 7.01611464883391 - 44.3108189806254 split increased to 2 itime 601387 - itsplit 1 - acceleration/energy drift too large 5.69333424049076 - 10.3163268292654 split increased to 2 itime 601403 - itsplit 1 - acceleration/energy drift too large 4.16917560536961 - 10.8427023909753 split increased to 2 itime 601711 - itsplit 1 - acceleration/energy drift too large 5.35440879182324 - 28.4311634772663 split increased to 2 itime 602360 - itsplit 1 - acceleration/energy drift too large 4.48804727528191 - 11.2325500361377 split increased to 2 itime 602451 - itsplit 1 - acceleration/energy drift too large 3.43990955306464 - 10.1672216914247 split increased to 2 itime 602519 - itsplit 1 - acceleration/energy drift too large 5.70808053562732 - 11.5910532056009 split increased to 2 itime 604307 - itsplit 1 - acceleration/energy drift too large 5.47660466565129 - 26.3638007120320 split increased to 2 itime 604766 - itsplit 1 - acceleration/energy drift too large 2.39706342402944 - 12.9398969113297 split increased to 2 itime 604770 - itsplit 1 - acceleration/energy drift too large 3.14563232042270 - 16.2269576200364 split increased to 2 itime 604771 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 3.04759777189784 + 18.7060242851618 split increased to 2 itime 801728 itsplit 1 - acceleration/energy drift too large 3.44497706677758 - 13.3478903836961 split increased to 2 itime 604773 + acceleration/energy drift too large 2.22856245957937 + 10.4667759896492 split increased to 2 itime 804170 itsplit 1 - acceleration/energy drift too large 5.28734884359665 - 31.9169402442888 split increased to 2 itime 604922 + acceleration/energy drift too large 6.77200349485410 + 15.6108881982449 split increased to 2 itime 805253 itsplit 1 - acceleration/energy drift too large 5.83948179762637 - 20.1510828891808 split increased to 2 itime 604956 + acceleration/energy drift too large 2.92268838706356 + 11.3913275960643 split increased to 2 itime 805981 itsplit 1 - acceleration/energy drift too large 3.58154961261564 - 29.5493332576752 split increased to 2 itime 605157 + acceleration/energy drift too large 2.20186141875850 + 16.5969788373684 split increased to 2 itime 805991 itsplit 1 - acceleration/energy drift too large 3.21590251787873 - 11.9840988297477 split increased to 2 itime 605187 + acceleration/energy drift too large 3.26888472192852 + 10.4691788354374 split increased to 2 itime 806013 itsplit 1 - acceleration/energy drift too large 3.39344636872984 - 13.3225561141630 split increased to 2 itime 606060 + acceleration/energy drift too large 7.35738879298710 + 12.3324564942039 split increased to 2 itime 806539 itsplit 1 - acceleration/energy drift too large 3.28524809087988 - 11.0463691404064 split increased to 2 itime 606158 + acceleration/energy drift too large 5.99982704607795 + 13.3850910299251 split increased to 2 itime 807225 itsplit 1 - acceleration/energy drift too large 2.46838488797357 - 11.3078408273286 split increased to 2 itime 606500 + acceleration/energy drift too large 5.65676101821954 + 13.3763648943318 split increased to 2 itime 807891 itsplit 1 - acceleration/energy drift too large 3.06744166322062 - 17.1474926660124 split increased to 2 itime 606669 + acceleration/energy drift too large 4.34452019221622 + 16.1765012039935 split increased to 2 itime 808051 itsplit 1 - acceleration/energy drift too large 4.64026065121936 - 14.2522661116315 split increased to 2 itime 606702 + acceleration/energy drift too large 6.51759969102698 + 22.1321750993877 split increased to 2 itime 809171 itsplit 1 - acceleration/energy drift too large 3.16764544630323 - 11.7583156065221 split increased to 2 itime 606726 + acceleration/energy drift too large 7.41463375510252 + 17.3870892440910 split increased to 2 itime 810298 itsplit 1 - acceleration/energy drift too large 4.66786541890788 - 10.9822644946310 split increased to 2 itime 606727 + acceleration/energy drift too large 7.11636198571468 + 15.7083718145018 split increased to 2 itime 812174 itsplit 1 - acceleration/energy drift too large 4.74019081154017 - 23.8003662942331 split increased to 2 itime 607510 + acceleration/energy drift too large 6.99345218756695 + 12.6066793494944 split increased to 2 itime 813088 itsplit 1 - acceleration/energy drift too large 4.66236926285537 - 29.1085087213740 split increased to 2 itime 607578 + acceleration/energy drift too large 4.88914563824126 + 10.0797024024354 split increased to 2 itime 813090 itsplit 1 - acceleration/energy drift too large 2.77756234896973 - 17.7868745705893 split increased to 2 itime 607692 + acceleration/energy drift too large 5.78989847351531 + 17.5514012724352 split increased to 2 itime 813188 itsplit 1 - acceleration/energy drift too large 2.84883714639050 - 19.9478553482221 split increased to 2 itime 608312 + acceleration/energy drift too large 6.52304330575791 + 20.8891504105015 split increased to 2 itime 814975 itsplit 1 - acceleration/energy drift too large 3.53160122879718 - 12.5962899897486 split increased to 2 itime 608387 + acceleration/energy drift too large 6.78932255060707 + 22.6187214644894 split increased to 2 itime 815828 itsplit 1 - acceleration/energy drift too large 2.33385373566345 - 10.1024071661288 split increased to 2 itime 608415 + acceleration/energy drift too large 5.70187046947739 + 25.3896359485052 split increased to 2 itime 819835 itsplit 1 - 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acceleration/energy drift too large 4.41954986475502 - 15.9390654926144 split increased to 2 itime 612752 + acceleration/energy drift too large 2.85519928755847 + 17.6127447620196 split increased to 2 itime 823202 itsplit 1 - acceleration/energy drift too large 6.38121746961199 - 18.4983527608401 split increased to 2 itime 613048 + acceleration/energy drift too large 2.42083645981002 + 10.1414285292442 split increased to 2 itime 823701 itsplit 1 - acceleration/energy drift too large 5.31948613696339 - 36.0415184689782 split increased to 2 itime 613340 + acceleration/energy drift too large 3.37307205526463 + 10.0273966515836 split increased to 2 itime 826914 itsplit 1 - acceleration/energy drift too large 5.94743040221702 - 25.2530087626529 split increased to 2 itime 613546 + acceleration/energy drift too large 6.70091105106446 + 30.9687909321332 split increased to 2 itime 829363 itsplit 1 - acceleration/energy drift too large 5.44936880944909 - 12.7232886367468 split increased to 2 itime 617290 + acceleration/energy drift too large 7.49652171519678 + 27.3864183397681 split increased to 2 itime 829712 itsplit 1 - 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acceleration/energy drift too large 6.51212376695020 - 16.4470187761603 split increased to 2 itime 623992 + acceleration/energy drift too large 3.93731307191247 + 10.3570731231119 split increased to 2 itime 845742 itsplit 1 - acceleration/energy drift too large 11.5112229520201 - 47.7420705103172 split increased to 2 itime 625061 + acceleration/energy drift too large 6.77690029195726 + 16.4544130420051 split increased to 2 itime 846072 itsplit 1 - acceleration/energy drift too large 2.84191768254016 - 11.8704055174515 split increased to 2 itime 625062 + acceleration/energy drift too large 5.37345742277203 + 10.9478987632294 split increased to 2 itime 851275 itsplit 1 - acceleration/energy drift too large 2.38963857434066 - 17.1227200350575 split increased to 2 itime 625202 + acceleration/energy drift too large 4.16182393568173 + 10.9511961733471 split increased to 2 itime 853954 itsplit 1 - acceleration/energy drift too large 3.15468649133609 - 11.0545510277622 split increased to 2 itime 626338 + acceleration/energy drift too large 8.78794325347103 + 42.5222746105986 split increased to 2 itime 854063 itsplit 1 - 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acceleration/energy drift too large 4.56604565392761 - 10.1426429243147 split increased to 2 itime 636472 + acceleration/energy drift too large 2.66208260031996 + 10.3756083999508 split increased to 2 itime 868992 itsplit 1 - acceleration/energy drift too large 6.13617227675648 - 11.3999939620802 split increased to 2 itime 636710 + acceleration/energy drift too large 3.84052652351550 + 11.5376282082245 split increased to 2 itime 869006 itsplit 1 - acceleration/energy drift too large 3.26669422548217 - 12.2932157764686 split increased to 2 itime 637150 + acceleration/energy drift too large 5.24811610152903 + 16.0725220913960 split increased to 2 itime 872858 itsplit 1 - acceleration/energy drift too large 6.28056261063517 - 17.4945844289190 split increased to 2 itime 637775 + acceleration/energy drift too large 2.04415916115678 + 11.6000945265094 split increased to 2 itime 876626 itsplit 1 - acceleration/energy drift too large 2.41428610136795 - 14.3477979053652 split increased to 2 itime 638602 + acceleration/energy drift too large 4.91667573608756 + 12.2529460280596 split increased to 2 itime 876696 itsplit 1 - acceleration/energy drift too large 3.76488202050720 - 14.4382862311066 split increased to 2 itime 638814 + acceleration/energy drift too large 1.98464299693557 + 12.3672973239493 split increased to 2 itime 880220 itsplit 1 - acceleration/energy drift too large 6.97287755725406 - 19.3639245743751 split increased to 2 itime 639150 + acceleration/energy drift too large 4.49269347994387 + 10.9164515956942 split increased to 2 itime 882114 itsplit 1 - acceleration/energy drift too large 3.38991473469239 - 10.8684027630085 split increased to 2 itime 639783 + acceleration/energy drift too large 3.50691198966475 + 12.2192361034298 split increased to 2 itime 882641 itsplit 1 - acceleration/energy drift too large 3.14810670305785 - 10.1212822720815 split increased to 2 itime 640070 + acceleration/energy drift too large 4.67092628161820 + 31.4015659810878 split increased to 2 itime 882749 itsplit 1 - acceleration/energy drift too large 4.27011376107737 - 17.4231912659989 split increased to 2 itime 641887 + acceleration/energy drift too large 3.60048047862597 + 14.2560887791626 split increased to 2 itime 883142 itsplit 1 - 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acceleration/energy drift too large 4.21572061183930 - 12.9897704110125 split increased to 2 itime 644351 + acceleration/energy drift too large 2.32735689444735 + 12.6728165379389 split increased to 2 itime 890090 itsplit 1 - acceleration/energy drift too large 2.61165220512462 - 12.8561737788437 split increased to 2 itime 644426 + acceleration/energy drift too large 5.74306766095227 + 21.6139261527122 split increased to 2 itime 893159 itsplit 1 - acceleration/energy drift too large 3.65470321033608 - 13.1009573903030 split increased to 2 itime 644428 + acceleration/energy drift too large 4.31719594275417 + 15.1223402059815 split increased to 2 itime 893596 itsplit 1 - acceleration/energy drift too large 5.40754308168593 - 11.4013108590464 split increased to 2 itime 644436 + acceleration/energy drift too large 7.13433176598262 + 16.3572986251761 split increased to 2 itime 893901 itsplit 1 - acceleration/energy drift too large 3.34686269150225 - 10.7855866694973 split increased to 2 itime 644478 + acceleration/energy drift too large 2.39688308186256 + 13.2961484492678 split increased to 2 itime 895579 itsplit 1 - acceleration/energy drift too large 3.23594427010844 - 14.0943415362550 split increased to 2 itime 645003 + acceleration/energy drift too large 3.99835623740062 + 11.7749312853083 split increased to 2 itime 895583 itsplit 1 - acceleration/energy drift too large 3.14503191883026 - 15.0469644122339 split increased to 2 itime 645629 + acceleration/energy drift too large 3.04375529760310 + 10.3665733729487 split increased to 2 itime 895624 itsplit 1 - acceleration/energy drift too large 2.64583167655565 - 10.8687910937071 split increased to 2 itime 645631 + acceleration/energy drift too large 2.11992299941375 + 10.6935992947726 split increased to 2 itime 895872 itsplit 1 - acceleration/energy drift too large 5.63752233242512 - 12.0137010629574 split increased to 2 itime 645728 - itsplit 1 - acceleration/energy drift too large 5.18711766346389 - 26.3566914290766 split increased to 2 itime 646010 - itsplit 1 - acceleration/energy drift too large 3.94482941890949 - 13.3115438178681 split increased to 2 itime 646134 - itsplit 1 - acceleration/energy drift too large 4.92697061841718 - 17.9284063279215 split increased to 2 itime 646670 - itsplit 1 - acceleration/energy drift too large 6.04568413545419 - 23.4272322549534 split increased to 2 itime 647619 - itsplit 1 - acceleration/energy drift too large 7.50063448386302 - 14.3779638117336 split increased to 2 itime 648196 - itsplit 1 - acceleration/energy drift too large 6.11553057389858 - 23.0401669081451 split increased to 2 itime 649686 - itsplit 1 - acceleration/energy drift too large 3.87063805158429 - 14.4851308584698 split increased to 2 itime 651484 - itsplit 1 - acceleration/energy drift too large 3.59890573862720 - 12.3744284457339 split increased to 2 itime 651515 - itsplit 1 - acceleration/energy drift too large 5.78420517794347 - 14.7145788665756 split increased to 2 itime 654020 - itsplit 1 - acceleration/energy drift too large 4.34230622341031 - 11.6137855040690 split increased to 2 itime 654277 - itsplit 1 - acceleration/energy drift too large 5.00415104720316 - 11.0485429021889 split increased to 2 itime 654740 - itsplit 1 - acceleration/energy drift too large 8.47049960575022 - 43.3415503405915 split increased to 2 itime 655779 - itsplit 1 - acceleration/energy drift too large 4.01227580520334 - 11.0754398113316 split increased to 2 itime 657660 - itsplit 1 - acceleration/energy drift too large 4.10398906206596 - 11.1259163271343 split increased to 2 itime 657697 - itsplit 1 - acceleration/energy drift too large 5.43350283471342 - 13.3471259667419 split increased to 2 itime 658925 - itsplit 1 - acceleration/energy drift too large 3.19135645706183 - 14.3266717044445 split increased to 2 itime 659508 - itsplit 1 - acceleration/energy drift too large 15.6926574742908 - 105.848141537057 split increased to 2 itime 659544 - itsplit 1 - acceleration/energy drift too large 3.74457962674912 - 12.6854111073302 split increased to 2 itime 662805 - itsplit 1 - acceleration/energy drift too large 10.6704725334733 - 51.5470482473348 split increased to 2 itime 664496 - itsplit 1 - acceleration/energy drift too large 5.56116061051862 - 15.9552054922925 split increased to 2 itime 666266 - itsplit 1 - acceleration/energy drift too large 5.96219096304831 - 23.8293468354317 split increased to 2 itime 666795 - itsplit 1 - acceleration/energy drift too large 7.17702737918142 - 18.7939035559907 split increased to 2 itime 667683 - itsplit 1 - acceleration/energy drift too large 2.84195015687514 - 19.3639677954093 split increased to 2 itime 668093 - itsplit 1 - acceleration/energy drift too large 6.38928605742042 - 28.3493769783425 split increased to 2 itime 668189 - itsplit 1 - acceleration/energy drift too large 6.62488681400906 - 13.5916692277562 split increased to 2 itime 668345 - itsplit 1 - acceleration/energy drift too large 9.38050589471598 - 42.7686738358207 split increased to 2 itime 668630 - itsplit 1 - acceleration/energy drift too large 2.96751661653751 - 23.5784450885109 split increased to 2 itime 668847 - itsplit 1 - acceleration/energy drift too large 4.25831224583641 - 13.4544936558073 split increased to 2 itime 668884 - itsplit 1 - acceleration/energy drift too large 5.60113233697687 - 19.1615358473365 split increased to 2 itime 668975 - itsplit 1 - acceleration/energy drift too large 7.11672121900396 - 24.3779092282707 split increased to 2 itime 669056 - itsplit 1 - acceleration/energy drift too large 2.96653256684825 - 10.7541361214670 split increased to 2 itime 669851 - itsplit 1 - acceleration/energy drift too large 5.75243454543646 - 43.4722497253871 split increased to 2 itime 670470 - itsplit 1 - acceleration/energy drift too large 4.14559812046770 - 10.3852928549209 split increased to 2 itime 671136 - itsplit 1 - acceleration/energy drift too large 7.11844754540210 - 18.8372317089866 split increased to 2 itime 671334 - itsplit 1 - acceleration/energy drift too large 2.78453806687901 - 11.0557205532176 split increased to 2 itime 672281 - itsplit 1 - acceleration/energy drift too large 2.32529060264387 - 11.9168712684831 split increased to 2 itime 673557 - itsplit 1 - acceleration/energy drift too large 6.84818934480027 - 16.9630829925828 split increased to 2 itime 674550 - itsplit 1 - acceleration/energy drift too large 2.78671059012948 - 11.0965308119551 split increased to 2 itime 674869 - itsplit 1 - acceleration/energy drift too large 3.09257964479594 - 10.9424749915273 split increased to 2 itime 674906 - itsplit 1 - acceleration/energy drift too large 3.81782641669263 - 11.8048622376972 split increased to 2 itime 674972 - itsplit 1 - acceleration/energy drift too large 4.26644662786020 - 12.9583451547313 split increased to 2 itime 674986 - itsplit 1 - acceleration/energy drift too large 3.14381350593762 - 11.0387106927969 split increased to 2 itime 674989 - itsplit 1 - acceleration/energy drift too large 3.46738726033069 - 10.2918438383760 split increased to 2 itime 675710 - itsplit 1 - acceleration/energy drift too large 10.4913319815599 - 50.4996322186422 split increased to 2 itime 675817 - itsplit 1 - acceleration/energy drift too large 3.43277281526764 - 11.1787069996000 split increased to 2 itime 675818 - itsplit 1 - acceleration/energy drift too large 5.42834143330938 - 10.2310947688468 split increased to 2 itime 676559 - itsplit 1 - acceleration/energy drift too large 3.71053235282667 - 12.3722464589413 split increased to 2 itime 677680 - itsplit 1 - acceleration/energy drift too large 3.52485741782652 - 10.9235076500071 split increased to 2 itime 677698 - itsplit 1 - acceleration/energy drift too large 2.84117138902518 - 13.2713820529887 split increased to 2 itime 677699 - itsplit 1 - acceleration/energy drift too large 3.00565000510801 - 13.8765094221857 split increased to 2 itime 677725 - itsplit 1 - acceleration/energy drift too large 3.09583937341184 - 10.8874745252149 split increased to 2 itime 677891 - itsplit 1 - acceleration/energy drift too large 5.14961265402304 - 26.9426955829631 split increased to 2 itime 677976 - itsplit 1 - acceleration/energy drift too large 4.41966706868678 - 25.9226764661724 split increased to 2 itime 682107 - itsplit 1 - acceleration/energy drift too large 2.03080493105942 - 10.8756007901566 split increased to 2 itime 682958 - itsplit 1 - acceleration/energy drift too large 6.18784172241043 - 21.5969058413403 split increased to 2 itime 684248 - itsplit 1 - acceleration/energy drift too large 4.96805918080929 - 26.9211757022806 split increased to 2 itime 684579 - itsplit 1 - acceleration/energy drift too large 3.92791839357148 - 11.5827777846721 split increased to 2 itime 684677 - itsplit 1 - acceleration/energy drift too large 4.45092706737651 - 10.5514920967564 split increased to 2 itime 684678 - itsplit 1 - acceleration/energy drift too large 4.42239241717514 - 11.6394763854365 split increased to 2 itime 684711 - itsplit 1 - acceleration/energy drift too large 4.78845588990462 - 15.0909875222543 split increased to 2 itime 685139 - itsplit 1 - acceleration/energy drift too large 4.70840967651335 - 13.6617036603982 split increased to 2 itime 687171 - itsplit 1 - acceleration/energy drift too large 6.60645448616108 - 15.9465871620691 split increased to 2 itime 688847 - itsplit 1 - acceleration/energy drift too large 5.79658756408721 - 27.9641468553357 split increased to 2 itime 691819 - itsplit 1 - acceleration/energy drift too large 7.34434405238730 - 15.0884615818616 split increased to 2 itime 691967 - itsplit 1 - acceleration/energy drift too large 12.7542628484413 - 80.5915923751115 split increased to 2 itime 693464 - itsplit 1 - acceleration/energy drift too large 2.46152870737728 - 13.4416408581845 split increased to 4 itime 693464 - itsplit 2 - acceleration/energy drift too large 2.99850952849742 - 11.0402662848610 split increased to 2 itime 694782 - itsplit 1 - acceleration/energy drift too large 3.13891222207459 - 10.9763470731391 split increased to 2 itime 694928 - itsplit 1 - acceleration/energy drift too large 3.54422412850751 - 11.2574352582705 split increased to 2 itime 695881 - itsplit 1 - acceleration/energy drift too large 11.5392592464601 - 46.7179899087055 split increased to 2 itime 695988 - itsplit 1 - acceleration/energy drift too large 4.05589533491332 - 11.1019256833258 split increased to 2 itime 696360 - itsplit 1 - acceleration/energy drift too large 4.04016195933642 - 13.5565003538256 split increased to 2 itime 696543 - itsplit 1 - acceleration/energy drift too large 5.13055564882739 - 11.8403696111624 split increased to 2 itime 697755 - itsplit 1 - acceleration/energy drift too large 5.50811650581822 - 12.9188615726065 split increased to 2 itime 697815 - itsplit 1 - acceleration/energy drift too large 6.03386481305778 - 11.4818797012653 split increased to 2 itime 698157 - itsplit 1 - acceleration/energy drift too large 3.46978420741312 - 11.2490304784422 split increased to 2 itime 698237 - itsplit 1 - acceleration/energy drift too large 3.11200111551441 - 12.2792013043048 split increased to 2 itime 698243 - itsplit 1 - acceleration/energy drift too large 2.90222079265304 - 10.4687758492199 split increased to 2 itime 698261 - itsplit 1 - acceleration/energy drift too large 2.58037348929376 - 10.7597708647391 split increased to 2 itime 698454 - itsplit 1 - acceleration/energy drift too large 5.15051772916233 - 21.6713159081515 split increased to 2 itime 698846 - itsplit 1 - acceleration/energy drift too large 7.78160125270601 - 21.9741740914276 split increased to 2 itime 699904 - itsplit 1 - REMD synchro at 700000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 322.960937500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.28571 7 -ACC 2 260.00000 0.42857 7 -ACC 3 270.00000 0.85714 7 -ACC 4 280.00000 0.71429 7 -ACC 5 290.00000 0.42857 7 -ACC 6 300.00000 0.57143 7 -ACC 7 310.00000 0.71429 7 -ACC 8 320.00000 0.42857 7 -ACC 9 330.00000 0.85714 7 -ACC 10 340.00000 0.57143 7 -ACC 11 350.00000 0.85714 7 -ACC 12 360.00000 1.00000 7 -ACC 13 370.00000 0.85714 7 -ACC 14 380.00000 0.85714 7 -ACC 15 390.00000 0.85714 7 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 7.67693373168728 - 24.1237273929163 split increased to 2 itime 701245 - itsplit 1 - acceleration/energy drift too large 3.70141701639493 - 13.5071692432714 split increased to 2 itime 701596 - itsplit 1 - acceleration/energy drift too large 5.42025114790543 - 14.1633853438968 split increased to 2 itime 701665 - itsplit 1 - acceleration/energy drift too large 5.70090836673574 - 12.7432512900175 split increased to 2 itime 702231 - itsplit 1 - acceleration/energy drift too large 6.41962970923386 - 18.1228324529200 split increased to 2 itime 702261 - itsplit 1 - acceleration/energy drift too large 5.70369247956615 - 12.1345272424641 split increased to 2 itime 702317 - itsplit 1 - acceleration/energy drift too large 4.99368983948868 - 13.6507403658019 split increased to 2 itime 702915 - itsplit 1 - acceleration/energy drift too large 4.80387724893187 - 11.3535831649885 split increased to 2 itime 702977 - itsplit 1 - acceleration/energy drift too large 4.84815218398912 - 26.2012215109280 split increased to 2 itime 703860 - itsplit 1 - acceleration/energy drift too large 3.40230853486589 - 10.3808580064377 split increased to 2 itime 704284 - itsplit 1 - acceleration/energy drift too large 6.18406792382780 - 19.3731960630679 split increased to 2 itime 704439 - itsplit 1 - acceleration/energy drift too large 4.22152065382260 - 10.3554860217525 split increased to 2 itime 704563 - itsplit 1 - acceleration/energy drift too large 5.98985161238957 - 15.1169814450162 split increased to 2 itime 706420 - itsplit 1 - acceleration/energy drift too large 6.52829938471204 - 14.1991338194823 split increased to 2 itime 709486 - itsplit 1 - acceleration/energy drift too large 7.44100505555059 - 19.4360095997751 split increased to 2 itime 710561 - itsplit 1 - acceleration/energy drift too large 7.02527563370148 - 15.0028129813259 split increased to 2 itime 711098 - itsplit 1 - acceleration/energy drift too large 14.1855427496511 - 82.5938503147797 split increased to 2 itime 711400 - itsplit 1 - acceleration/energy drift too large 3.02373857449901 - 15.9856451770510 split increased to 4 itime 711400 - itsplit 2 - acceleration/energy drift too large 8.00576756258195 - 37.0922735172141 split increased to 2 itime 711967 - itsplit 1 - acceleration/energy drift too large 2.97947240339447 - 11.9195099704383 split increased to 2 itime 711968 - itsplit 1 - acceleration/energy drift too large 3.53077518477362 - 10.1731051412207 split increased to 2 itime 711979 - itsplit 1 - acceleration/energy drift too large 6.45885307375098 - 10.5905777248915 split increased to 2 itime 712012 - itsplit 1 - acceleration/energy drift too large 3.10522343325579 - 12.2926050583025 split increased to 2 itime 712026 - itsplit 1 - acceleration/energy drift too large 2.59567336009142 - 10.5758775917742 split increased to 2 itime 712035 - itsplit 1 - acceleration/energy drift too large 2.17888242670622 - 11.6247694970408 split increased to 2 itime 712037 - itsplit 1 - acceleration/energy drift too large 3.16259106123303 - 10.9432636237660 split increased to 2 itime 712042 - itsplit 1 - acceleration/energy drift too large 3.31087372888631 - 10.8791937658628 split increased to 2 itime 712046 - itsplit 1 - acceleration/energy drift too large 10.3458375493431 - 32.3780238895325 split increased to 2 itime 712125 - itsplit 1 - acceleration/energy drift too large 5.86857074771446 - 20.3830576473611 split increased to 2 itime 714226 - itsplit 1 - acceleration/energy drift too large 3.20625702190267 - 11.0927040513228 split increased to 2 itime 714903 - itsplit 1 - acceleration/energy drift too large 3.52591110431903 - 10.3232100039911 split increased to 2 itime 714991 - itsplit 1 - acceleration/energy drift too large 4.29690479572332 - 12.6104734079862 split increased to 2 itime 715497 - itsplit 1 - acceleration/energy drift too large 5.67658744590807 - 22.4815653910135 split increased to 2 itime 716535 - itsplit 1 - acceleration/energy drift too large 2.49489556564882 - 12.7901200730504 split increased to 2 itime 717943 - itsplit 1 - acceleration/energy drift too large 4.51116503543109 - 10.9633239375317 split increased to 2 itime 718613 - itsplit 1 - acceleration/energy drift too large 7.25611325215267 - 14.6787223409925 split increased to 2 itime 718630 - itsplit 1 - acceleration/energy drift too large 3.80220383524772 - 10.4316763575174 split increased to 2 itime 719612 - itsplit 1 - acceleration/energy drift too large 2.60738127087796 - 13.4034967885825 split increased to 2 itime 720142 - itsplit 1 - acceleration/energy drift too large 7.80423135416967 - 22.7294286094576 split increased to 2 itime 721691 - itsplit 1 - acceleration/energy drift too large 4.07736072370749 - 11.5998014061472 split increased to 2 itime 725105 - itsplit 1 - acceleration/energy drift too large 6.71553531695080 - 15.2840594735351 split increased to 2 itime 726182 - itsplit 1 - acceleration/energy drift too large 5.78871960937658 - 10.0855625268078 split increased to 2 itime 727748 - itsplit 1 - acceleration/energy drift too large 6.47135344389304 - 10.8376946865450 split increased to 2 itime 729121 - itsplit 1 - acceleration/energy drift too large 3.96660848908059 - 10.9460928829030 split increased to 2 itime 729754 - itsplit 1 - acceleration/energy drift too large 6.38377250999456 - 15.5227734474289 split increased to 2 itime 731350 - itsplit 1 - acceleration/energy drift too large 6.30769875604458 - 29.7063094015699 split increased to 2 itime 733510 - itsplit 1 - acceleration/energy drift too large 5.60403673524231 - 10.2451811084433 split increased to 2 itime 734585 - itsplit 1 - acceleration/energy drift too large 7.74578195276920 - 21.9217641024811 split increased to 2 itime 735372 - itsplit 1 - acceleration/energy drift too large 7.65156556232088 - 39.2870553090929 split increased to 2 itime 735805 - itsplit 1 - acceleration/energy drift too large 13.1036493311469 - 64.5194457613362 split increased to 2 itime 735878 - itsplit 1 - acceleration/energy drift too large 8.03550604767881 - 27.5512115358554 split increased to 2 itime 736696 - itsplit 1 - acceleration/energy drift too large 2.13410170309005 - 11.1280779627393 split increased to 2 itime 737062 - itsplit 1 - acceleration/energy drift too large 2.92626022518308 - 10.7335475621378 split increased to 2 itime 737186 - itsplit 1 - acceleration/energy drift too large 3.99308738754948 - 10.6461559488601 split increased to 2 itime 737283 - itsplit 1 - acceleration/energy drift too large 5.04568024826091 - 13.5694283221621 split increased to 2 itime 738619 - itsplit 1 - acceleration/energy drift too large 5.86393931888985 - 18.0353050315433 split increased to 2 itime 738663 - itsplit 1 - acceleration/energy drift too large 6.26300414317011 - 17.9368029758824 split increased to 2 itime 738922 - itsplit 1 - acceleration/energy drift too large 15.7386912377863 - 85.8323024698531 split increased to 2 itime 739352 - itsplit 1 - acceleration/energy drift too large 5.70540717392154 - 10.7064583112147 split increased to 2 itime 741037 - itsplit 1 - acceleration/energy drift too large 5.02707304724525 - 10.9263051415674 split increased to 2 itime 741409 - itsplit 1 - acceleration/energy drift too large 4.55418400154935 - 11.0519524776125 split increased to 2 itime 741657 - itsplit 1 - acceleration/energy drift too large 4.40120022078553 - 10.7840174457438 split increased to 2 itime 742409 - itsplit 1 - acceleration/energy drift too large 3.49598266152534 - 10.2888290195464 split increased to 2 itime 743474 - itsplit 1 - acceleration/energy drift too large 5.79212293108706 - 14.1692671678362 split increased to 2 itime 743740 - itsplit 1 - acceleration/energy drift too large 6.90200817537947 - 22.4679264380568 split increased to 2 itime 744079 - itsplit 1 - acceleration/energy drift too large 4.58759186475465 - 11.1906886435218 split increased to 2 itime 744972 - itsplit 1 - acceleration/energy drift too large 2.45412545712617 - 10.6991323564660 split increased to 2 itime 745687 - itsplit 1 - acceleration/energy drift too large 3.09606404432747 - 12.1720443565747 split increased to 2 itime 745693 - itsplit 1 - acceleration/energy drift too large 4.93672595818167 - 13.3116754922214 split increased to 2 itime 745699 - itsplit 1 - acceleration/energy drift too large 4.03111552847982 - 13.3261015626339 split increased to 2 itime 745700 - itsplit 1 - acceleration/energy drift too large 3.76510953364186 - 11.1713528681514 split increased to 2 itime 745705 - itsplit 1 - acceleration/energy drift too large 3.25602726839117 - 10.3976746916524 split increased to 2 itime 745706 - itsplit 1 - acceleration/energy drift too large 4.63032354681333 - 10.5154695424574 split increased to 2 itime 745711 - itsplit 1 - acceleration/energy drift too large 2.45168970313745 - 11.6217643206997 split increased to 2 itime 745712 - itsplit 1 - acceleration/energy drift too large 3.80690909274420 - 10.5121288255766 split increased to 2 itime 745721 - itsplit 1 - acceleration/energy drift too large 2.50800793019837 - 12.5593781109587 split increased to 2 itime 745722 - itsplit 1 - acceleration/energy drift too large 4.12205646477794 - 23.0133680450809 split increased to 2 itime 745748 - itsplit 1 - acceleration/energy drift too large 2.67452076574035 - 12.7364668707452 split increased to 2 itime 745796 - itsplit 1 - acceleration/energy drift too large 4.46069689362339 - 12.9543955162033 split increased to 2 itime 746470 - itsplit 1 - acceleration/energy drift too large 4.74143454849152 - 25.9792971068702 split increased to 2 itime 746940 - itsplit 1 - acceleration/energy drift too large 5.64747556462134 - 18.7088364788445 split increased to 2 itime 747050 - itsplit 1 - acceleration/energy drift too large 6.50372641883856 - 10.7286537133522 split increased to 2 itime 748041 - itsplit 1 - acceleration/energy drift too large 3.50328502467386 - 10.0819814159402 split increased to 2 itime 748634 - itsplit 1 - acceleration/energy drift too large 5.98542816266550 - 44.4350077646519 split increased to 2 itime 750329 - itsplit 1 - acceleration/energy drift too large 4.96959827825780 - 13.6047878842284 split increased to 2 itime 750400 - itsplit 1 - acceleration/energy drift too large 5.69210977007772 - 22.2032936642117 split increased to 2 itime 750410 - itsplit 1 - acceleration/energy drift too large 3.61753060267092 - 11.1537612235400 split increased to 2 itime 750756 - itsplit 1 - acceleration/energy drift too large 5.59536493800176 - 12.2377402079186 split increased to 2 itime 750928 - itsplit 1 - acceleration/energy drift too large 6.24720969307592 - 13.4875994837579 split increased to 2 itime 751132 - itsplit 1 - acceleration/energy drift too large 8.21141769585898 - 14.1896626414601 split increased to 2 itime 752259 - itsplit 1 - acceleration/energy drift too large 9.77524845978073 - 42.6220058267745 split increased to 2 itime 753221 - itsplit 1 - acceleration/energy drift too large 1.84685213338546 - 10.3496423608187 split increased to 2 itime 753525 - itsplit 1 - acceleration/energy drift too large 9.22270321506639 - 25.2710535780667 split increased to 2 itime 753614 - itsplit 1 - acceleration/energy drift too large 6.52028876874031 - 14.1106013137772 split increased to 2 itime 753674 - itsplit 1 - acceleration/energy drift too large 3.67666028479680 - 10.6050651911700 split increased to 2 itime 753685 - itsplit 1 - acceleration/energy drift too large 7.26824092206445 - 17.7543895805536 split increased to 2 itime 754121 - itsplit 1 - acceleration/energy drift too large 5.01464102064850 - 15.4528568822113 split increased to 2 itime 754448 - itsplit 1 - acceleration/energy drift too large 9.09844433917664 - 38.9752006203633 split increased to 2 itime 755884 - itsplit 1 - acceleration/energy drift too large 6.01531015133781 - 10.0545443269525 split increased to 2 itime 755901 - itsplit 1 - acceleration/energy drift too large 4.17484418621209 - 14.9229895447139 split increased to 2 itime 756554 - itsplit 1 - acceleration/energy drift too large 13.4314948936223 - 73.7742242639879 split increased to 2 itime 756685 - itsplit 1 - acceleration/energy drift too large 3.03926955981248 - 12.9649321954077 split increased to 2 itime 756751 - itsplit 1 - acceleration/energy drift too large 4.42042334789526 - 21.7677925114445 split increased to 2 itime 757175 - itsplit 1 - acceleration/energy drift too large 3.67847480584180 - 13.1023199337107 split increased to 2 itime 757279 - itsplit 1 - acceleration/energy drift too large 4.83265619975315 - 28.3895718590283 split increased to 2 itime 757373 - itsplit 1 - acceleration/energy drift too large 6.31075762385391 - 14.0024712168185 split increased to 2 itime 757975 - itsplit 1 - acceleration/energy drift too large 5.39729641996846 - 13.4770574622785 split increased to 2 itime 758845 - itsplit 1 - acceleration/energy drift too large 6.08739368073622 - 11.3872837486485 split increased to 2 itime 759617 - itsplit 1 - acceleration/energy drift too large 6.06924829752163 - 10.5139002491992 split increased to 2 itime 759869 - itsplit 1 - acceleration/energy drift too large 10.0358321986919 - 42.9751258620576 split increased to 2 itime 760725 - itsplit 1 - acceleration/energy drift too large 6.33389184118657 - 27.2493625922361 split increased to 2 itime 761520 - itsplit 1 - acceleration/energy drift too large 4.52025850388525 - 15.3945548151860 split increased to 2 itime 761578 - itsplit 1 - acceleration/energy drift too large 4.86115593693149 - 14.1505421234693 split increased to 2 itime 761692 - itsplit 1 - acceleration/energy drift too large 4.36307085092651 - 12.2927555005073 split increased to 2 itime 764074 - itsplit 1 - acceleration/energy drift too large 3.34934527579133 - 10.8475137878093 split increased to 2 itime 764629 - itsplit 1 - acceleration/energy drift too large 6.34480456536962 - 10.7956286950525 split increased to 2 itime 767353 - itsplit 1 - acceleration/energy drift too large 5.55834788263006 - 14.8662955025150 split increased to 2 itime 767531 - itsplit 1 - acceleration/energy drift too large 2.56201930535272 - 11.1633121815251 split increased to 2 itime 767880 - itsplit 1 - acceleration/energy drift too large 3.49891886646377 - 11.5064490449159 split increased to 2 itime 768489 - itsplit 1 - acceleration/energy drift too large 5.18844452378051 - 11.1598012519384 split increased to 2 itime 768657 - itsplit 1 - acceleration/energy drift too large 3.58604256620870 - 10.5143122482924 split increased to 2 itime 770276 - itsplit 1 - acceleration/energy drift too large 5.61159347898122 - 27.8469654045657 split increased to 2 itime 770842 - itsplit 1 - acceleration/energy drift too large 3.66638960197182 - 10.5134243469797 split increased to 2 itime 770919 - itsplit 1 - acceleration/energy drift too large 5.22527499195706 - 16.8568801626654 split increased to 2 itime 771317 - itsplit 1 - acceleration/energy drift too large 8.23835040614746 - 24.4445408670267 split increased to 2 itime 772069 - itsplit 1 - acceleration/energy drift too large 5.60534708177324 - 16.5155955512879 split increased to 2 itime 772077 - itsplit 1 - acceleration/energy drift too large 2.16577471529202 - 10.8638965223602 split increased to 2 itime 772086 - itsplit 1 - acceleration/energy drift too large 9.44623318716847 - 52.6142165728350 split increased to 2 itime 772526 - itsplit 1 - acceleration/energy drift too large 4.50149061567923 - 11.6465363066261 split increased to 2 itime 772849 - itsplit 1 - acceleration/energy drift too large 4.89826557197858 - 12.1611909109722 split increased to 2 itime 773293 - itsplit 1 - acceleration/energy drift too large 8.18509310463007 - 28.6211660927462 split increased to 2 itime 773506 - itsplit 1 - acceleration/energy drift too large 4.16541929294415 - 13.0204317194826 split increased to 2 itime 774194 - itsplit 1 - acceleration/energy drift too large 4.35435960684535 - 21.7776278648852 split increased to 2 itime 775284 - itsplit 1 - acceleration/energy drift too large 7.03806919634548 - 13.1006382165286 split increased to 2 itime 775401 - itsplit 1 - acceleration/energy drift too large 2.40563471508530 - 10.3388793359430 split increased to 2 itime 775846 - itsplit 1 - acceleration/energy drift too large 5.58993572590834 - 30.5894504981069 split increased to 2 itime 776142 - itsplit 1 - acceleration/energy drift too large 4.48117843666976 - 10.3863140520066 split increased to 2 itime 777067 - itsplit 1 - acceleration/energy drift too large 3.42984690304796 - 10.6466971142419 split increased to 2 itime 777438 - itsplit 1 - acceleration/energy drift too large 4.82029102235178 - 12.3239482835159 split increased to 2 itime 778126 - itsplit 1 - acceleration/energy drift too large 3.92476209145837 - 10.7037756953433 split increased to 2 itime 778185 - itsplit 1 - acceleration/energy drift too large 4.08100790471550 - 11.8144746437774 split increased to 2 itime 778255 - itsplit 1 - acceleration/energy drift too large 4.19595246813170 - 14.1947541642338 split increased to 2 itime 778581 - itsplit 1 - acceleration/energy drift too large 4.21454612473273 - 10.6227921890626 split increased to 2 itime 780022 - itsplit 1 - acceleration/energy drift too large 12.7610820438975 - 70.8239994405717 split increased to 2 itime 780961 - itsplit 1 - acceleration/energy drift too large 3.89419021152976 - 12.4767958504078 split increased to 2 itime 781975 - itsplit 1 - acceleration/energy drift too large 7.23380226455558 - 11.9274630218122 split increased to 2 itime 782439 - itsplit 1 - acceleration/energy drift too large 3.42629004025162 - 18.9632603351908 split increased to 2 itime 782539 - itsplit 1 - acceleration/energy drift too large 3.17049733668923 - 11.3216458297090 split increased to 2 itime 783051 - itsplit 1 - acceleration/energy drift too large 2.44267397421486 - 10.7037853306520 split increased to 2 itime 783127 - itsplit 1 - acceleration/energy drift too large 3.12204008590109 - 12.9413112354340 split increased to 2 itime 783210 - itsplit 1 - acceleration/energy drift too large 2.48250608421142 - 11.0174862327443 split increased to 2 itime 783445 - itsplit 1 - acceleration/energy drift too large 5.88708087682455 - 28.0768861122120 split increased to 2 itime 783591 - itsplit 1 - acceleration/energy drift too large 7.24986224764226 - 10.3515213314858 split increased to 2 itime 783767 - itsplit 1 - acceleration/energy drift too large 6.54600055625214 - 11.4819804970839 split increased to 2 itime 784030 - itsplit 1 - acceleration/energy drift too large 5.04240038675136 - 24.1460919751378 split increased to 2 itime 784694 - itsplit 1 - acceleration/energy drift too large 3.01373026067213 - 10.7767738577907 split increased to 2 itime 785741 - itsplit 1 - acceleration/energy drift too large 4.28482909191225 - 12.7389665780554 split increased to 2 itime 785814 - itsplit 1 - acceleration/energy drift too large 4.94908585342703 - 25.1125456468146 split increased to 2 itime 786080 - itsplit 1 - acceleration/energy drift too large 8.44809765600119 - 22.6096056439088 split increased to 2 itime 786462 - itsplit 1 - acceleration/energy drift too large 4.79356000738812 - 13.2182478580400 split increased to 2 itime 787642 - itsplit 1 - acceleration/energy drift too large 3.99990082838877 - 25.1032520125746 split increased to 2 itime 787681 - itsplit 1 - acceleration/energy drift too large 7.83460905571834 - 31.0913027418259 split increased to 2 itime 787819 - itsplit 1 - acceleration/energy drift too large 3.60735783275961 - 13.0515291742615 split increased to 2 itime 787962 - itsplit 1 - acceleration/energy drift too large 2.18082555082890 - 14.8595968853764 split increased to 2 itime 789618 - itsplit 1 - acceleration/energy drift too large 6.30940218088089 - 15.6898930123500 split increased to 2 itime 789956 - itsplit 1 - acceleration/energy drift too large 2.64014415692489 - 12.9123858455282 split increased to 2 itime 790387 - itsplit 1 - acceleration/energy drift too large 5.18245678023443 - 11.3387144277993 split increased to 2 itime 792660 - itsplit 1 - acceleration/energy drift too large 3.26574007618713 - 10.5120624486394 split increased to 2 itime 792802 - itsplit 1 - acceleration/energy drift too large 5.50674861139060 - 15.6410141351750 split increased to 2 itime 793441 - itsplit 1 - acceleration/energy drift too large 6.22570040997193 - 20.8461783454793 split increased to 2 itime 793518 - itsplit 1 - acceleration/energy drift too large 5.23734612315566 - 26.5574521169231 split increased to 2 itime 793598 - itsplit 1 - acceleration/energy drift too large 6.32120889537809 - 24.0447091089204 split increased to 2 itime 796225 - itsplit 1 - acceleration/energy drift too large 4.48294604777980 - 10.1340889216009 split increased to 2 itime 796672 - itsplit 1 - acceleration/energy drift too large 5.16718566284802 - 12.5060376200070 split increased to 2 itime 798148 - itsplit 1 - acceleration/energy drift too large 5.07145933637771 - 10.8826529480215 split increased to 2 itime 799094 - itsplit 1 - acceleration/energy drift too large 3.90656914531441 - 11.1030841391892 split increased to 2 itime 799119 - itsplit 1 - REMD synchro at 800000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 370.496093750000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 7.812500000000000E-003 - NREP 16 -ACC 1 250.00000 0.25000 8 -ACC 2 260.00000 0.37500 8 -ACC 3 270.00000 0.75000 8 -ACC 4 280.00000 0.75000 8 -ACC 5 290.00000 0.50000 8 -ACC 6 300.00000 0.62500 8 -ACC 7 310.00000 0.62500 8 -ACC 8 320.00000 0.50000 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 1.00000 8 -ACC 13 370.00000 0.87500 8 -ACC 14 380.00000 0.87500 8 -ACC 15 390.00000 0.87500 8 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 7.00874419332574 - 11.7928727927577 split increased to 2 itime 800844 - itsplit 1 - acceleration/energy drift too large 5.48212987209708 - 12.8874461482489 split increased to 2 itime 800847 - itsplit 1 - acceleration/energy drift too large 4.16947079575155 - 10.1179677518621 split increased to 2 itime 801336 - itsplit 1 - acceleration/energy drift too large 6.95074410464138 - 29.6811686721023 split increased to 2 itime 801947 - itsplit 1 - acceleration/energy drift too large 2.26059134446932 - 10.5428305146469 split increased to 2 itime 801955 - itsplit 1 - acceleration/energy drift too large 3.94848645013882 - 10.3174100821401 split increased to 2 itime 802410 - itsplit 1 - acceleration/energy drift too large 4.94887279968273 - 24.0430930357369 split increased to 2 itime 803315 - itsplit 1 - acceleration/energy drift too large 3.43007277388161 - 10.4928724105443 split increased to 2 itime 803416 - itsplit 1 - acceleration/energy drift too large 2.62307662980029 - 11.3763125463274 split increased to 2 itime 803808 - itsplit 1 - acceleration/energy drift too large 5.22245524396191 - 12.2453522620729 split increased to 2 itime 804093 - itsplit 1 - acceleration/energy drift too large 5.07678130998138 - 14.6826879593809 split increased to 2 itime 804379 - itsplit 1 - acceleration/energy drift too large 3.86170938085748 - 12.0951980097739 split increased to 2 itime 804631 - itsplit 1 - acceleration/energy drift too large 2.40560004492529 - 11.1392564347698 split increased to 2 itime 805809 - itsplit 1 - acceleration/energy drift too large 6.79702350550384 - 15.7639510723697 split increased to 2 itime 806039 - itsplit 1 - acceleration/energy drift too large 5.80387210696143 - 11.1455034134655 split increased to 2 itime 806335 - itsplit 1 - acceleration/energy drift too large 2.93268027785670 - 10.0946670791062 split increased to 2 itime 806630 - itsplit 1 - acceleration/energy drift too large 4.49279514477409 - 11.8662741368005 split increased to 2 itime 806925 - itsplit 1 - acceleration/energy drift too large 5.89493658208943 - 20.5159720031418 split increased to 2 itime 806954 - itsplit 1 - acceleration/energy drift too large 2.70216728389105 - 10.6436735562412 split increased to 2 itime 807066 - itsplit 1 - acceleration/energy drift too large 6.39691890840453 - 17.0104981546665 split increased to 2 itime 808059 - itsplit 1 - acceleration/energy drift too large 7.71926878327052 - 22.0406409329511 split increased to 2 itime 808287 - itsplit 1 - acceleration/energy drift too large 4.15538326474735 - 10.3022360068986 split increased to 2 itime 808414 - itsplit 1 - acceleration/energy drift too large 2.84906508870924 - 10.5384962048677 split increased to 2 itime 808526 - itsplit 1 - acceleration/energy drift too large 8.19033207613670 - 32.3593231191301 split increased to 2 itime 809154 - itsplit 1 - acceleration/energy drift too large 4.96620225334037 - 10.9317530489191 split increased to 2 itime 809725 - itsplit 1 - acceleration/energy drift too large 2.11571479969588 - 16.5633312380871 split increased to 2 itime 809726 - itsplit 1 - acceleration/energy drift too large 5.81049751454704 - 10.0525265062096 split increased to 2 itime 809752 - itsplit 1 - acceleration/energy drift too large 5.89420621054208 - 14.6581712435127 split increased to 2 itime 812167 - itsplit 1 - acceleration/energy drift too large 4.75385495074558 - 11.8977459709943 split increased to 2 itime 812389 - itsplit 1 - acceleration/energy drift too large 2.98776346131107 - 11.5943357089453 split increased to 2 itime 812507 - itsplit 1 - acceleration/energy drift too large 4.95147579220744 - 16.1983279891554 split increased to 2 itime 812511 - itsplit 1 - acceleration/energy drift too large 3.88365142846843 - 11.0390231340874 split increased to 2 itime 812515 - itsplit 1 - acceleration/energy drift too large 4.09988714279213 - 13.1055538103892 split increased to 2 itime 812517 - itsplit 1 - acceleration/energy drift too large 6.34797582926906 - 11.1015238302197 split increased to 2 itime 812518 - itsplit 1 - acceleration/energy drift too large 4.83892869958561 - 10.9427817634710 split increased to 2 itime 812519 - itsplit 1 - acceleration/energy drift too large 6.80972917741192 - 17.3814587367973 split increased to 2 itime 812520 - itsplit 1 - acceleration/energy drift too large 6.94801251830922 - 10.9277505844337 split increased to 2 itime 812533 - itsplit 1 - acceleration/energy drift too large 4.27703035807486 - 11.6223878054437 split increased to 2 itime 812534 - itsplit 1 - acceleration/energy drift too large 2.85030171802465 - 10.4814606965340 split increased to 2 itime 812536 - itsplit 1 - acceleration/energy drift too large 3.27566582386351 - 11.9845752117410 split increased to 2 itime 812538 - itsplit 1 - acceleration/energy drift too large 8.36993482940105 - 16.2033036014972 split increased to 2 itime 812539 - itsplit 1 - acceleration/energy drift too large 3.76237492574818 - 13.3170942538107 split increased to 2 itime 812540 - itsplit 1 - acceleration/energy drift too large 9.09532383885328 - 10.7670101878133 split increased to 2 itime 812541 - itsplit 1 - acceleration/energy drift too large 7.46327013623261 - 12.2839595062642 split increased to 2 itime 812543 - itsplit 1 - acceleration/energy drift too large 6.99705103460901 - 12.1970115863992 split increased to 2 itime 812546 - itsplit 1 - acceleration/energy drift too large 5.81756467300030 - 16.1939118975046 split increased to 2 itime 812547 - itsplit 1 - acceleration/energy drift too large 4.88575722328227 - 11.8625218716678 split increased to 2 itime 812549 - itsplit 1 - acceleration/energy drift too large 4.37082259349211 - 11.8772985651605 split increased to 2 itime 812566 - itsplit 1 - acceleration/energy drift too large 4.25891772704183 - 11.0596738254167 split increased to 2 itime 812569 - itsplit 1 - acceleration/energy drift too large 3.20389294651978 - 11.3227943135040 split increased to 2 itime 812572 - itsplit 1 - acceleration/energy drift too large 4.20033920562432 - 13.9436864452807 split increased to 2 itime 812587 - itsplit 1 - acceleration/energy drift too large 3.85488419016136 - 10.4463818007158 split increased to 2 itime 812588 - itsplit 1 - acceleration/energy drift too large 6.29599060582108 - 12.8973197807973 split increased to 2 itime 812589 - itsplit 1 - acceleration/energy drift too large 2.88312501234058 - 21.3274466034748 split increased to 2 itime 812590 - itsplit 1 - acceleration/energy drift too large 5.60764749214454 - 12.5038810715876 split increased to 2 itime 812595 - itsplit 1 - acceleration/energy drift too large 2.49515048632687 - 14.8257375339564 split increased to 2 itime 812596 - itsplit 1 - acceleration/energy drift too large 4.48550660045508 - 17.6842290976632 split increased to 2 itime 812601 - itsplit 1 - acceleration/energy drift too large 7.06702688097685 - 17.2908141721943 split increased to 2 itime 812603 - itsplit 1 - acceleration/energy drift too large 4.32775991615218 - 12.7211088670147 split increased to 2 itime 812604 - itsplit 1 - acceleration/energy drift too large 0.935564238931949 - 14.6459186881543 split increased to 2 itime 812605 - itsplit 1 - acceleration/energy drift too large 5.89199758682255 - 21.4233095195048 split increased to 2 itime 812606 - itsplit 1 - acceleration/energy drift too large 2.04044513989702 - 13.1001761100977 split increased to 2 itime 812607 - itsplit 1 - acceleration/energy drift too large 5.14968790263987 - 30.6525410747142 split increased to 2 itime 812608 - itsplit 1 - acceleration/energy drift too large 2.36119284293048 - 12.5768927669923 split increased to 2 itime 812610 - itsplit 1 - acceleration/energy drift too large 6.44889152031446 - 10.0132481529125 split increased to 2 itime 812645 - itsplit 1 - acceleration/energy drift too large 3.29783083960402 - 10.5098220501895 split increased to 2 itime 812657 - itsplit 1 - acceleration/energy drift too large 5.78758392338955 - 10.1471847680077 split increased to 2 itime 812658 - itsplit 1 - acceleration/energy drift too large 3.95293678860637 - 10.7906718109920 split increased to 2 itime 812671 - itsplit 1 - acceleration/energy drift too large 7.26410647102752 - 10.8497842102584 split increased to 2 itime 812672 - itsplit 1 - acceleration/energy drift too large 2.53345349215956 - 10.3146737372451 split increased to 2 itime 812673 - itsplit 1 - acceleration/energy drift too large 3.45613499536568 - 13.2075296814665 split increased to 2 itime 812677 - itsplit 1 - acceleration/energy drift too large 5.67890986310270 - 11.2624654939905 split increased to 2 itime 812687 - itsplit 1 - acceleration/energy drift too large 11.5718914271891 - 54.6201412977802 split increased to 2 itime 813231 - itsplit 1 - acceleration/energy drift too large 6.12215674065355 - 18.6080611093957 split increased to 2 itime 813444 - itsplit 1 - acceleration/energy drift too large 3.77266227337732 - 12.0964051369900 split increased to 2 itime 813638 - itsplit 1 - acceleration/energy drift too large 5.25238756965157 - 27.3753066087260 split increased to 2 itime 813820 - itsplit 1 - acceleration/energy drift too large 3.00575369245689 - 11.9234250122996 split increased to 2 itime 813821 - itsplit 1 - acceleration/energy drift too large 2.53192765048627 - 12.1074606544967 split increased to 2 itime 814055 - itsplit 1 - acceleration/energy drift too large 3.14288481373735 - 10.6466051797086 split increased to 2 itime 814078 - itsplit 1 - acceleration/energy drift too large 5.86503429324581 - 16.3187558107524 split increased to 2 itime 814908 - itsplit 1 - acceleration/energy drift too large 2.62665869268094 - 10.7361665575066 split increased to 2 itime 815054 - itsplit 1 - acceleration/energy drift too large 2.81468178800057 - 10.2518056377133 split increased to 2 itime 815123 - itsplit 1 - acceleration/energy drift too large 2.85670796300021 - 11.9369025884533 split increased to 2 itime 815131 - itsplit 1 - acceleration/energy drift too large 3.38217495559488 - 10.3562324355808 split increased to 2 itime 815133 - itsplit 1 - acceleration/energy drift too large 5.04987621818505 - 13.2539124852317 split increased to 2 itime 815137 - itsplit 1 - acceleration/energy drift too large 1.92011237154170 - 11.1454740764388 split increased to 2 itime 815139 - itsplit 1 - acceleration/energy drift too large 4.98147837857836 - 25.8624476209148 split increased to 2 itime 815140 - itsplit 1 - acceleration/energy drift too large 2.24467282621724 - 13.3174433533401 split increased to 2 itime 815142 - itsplit 1 - acceleration/energy drift too large 4.35586542760392 - 14.0528266494940 split increased to 2 itime 815143 - itsplit 1 - acceleration/energy drift too large 3.18653464221902 - 14.8054011496486 split increased to 2 itime 815144 - itsplit 1 - acceleration/energy drift too large 5.10028971898280 - 20.7399663926812 split increased to 2 itime 815145 - itsplit 1 - acceleration/energy drift too large 3.30755007654971 - 20.0088934777680 split increased to 2 itime 815146 - itsplit 1 - acceleration/energy drift too large 4.65796131488309 - 10.3780577969725 split increased to 2 itime 815147 - itsplit 1 - acceleration/energy drift too large 3.53670572123950 - 17.5414983032270 split increased to 2 itime 815148 - itsplit 1 - acceleration/energy drift too large 3.49005012077210 - 12.4108579800016 split increased to 2 itime 815150 - itsplit 1 - acceleration/energy drift too large 5.01104340795641 - 12.9175248524647 split increased to 2 itime 815156 - itsplit 1 - acceleration/energy drift too large 4.27680571677470 - 11.4022338553319 split increased to 2 itime 815157 - itsplit 1 - acceleration/energy drift too large 2.62682496002573 - 12.2490248953596 split increased to 2 itime 815165 - itsplit 1 - acceleration/energy drift too large 4.79753056160971 - 13.5888371274031 split increased to 2 itime 815166 - itsplit 1 - acceleration/energy drift too large 2.63175651272074 - 13.5080351333851 split increased to 2 itime 815167 - itsplit 1 - acceleration/energy drift too large 4.32491454824182 - 14.9087809619751 split increased to 2 itime 815168 - itsplit 1 - acceleration/energy drift too large 3.43031972989974 - 11.7786368364853 split increased to 2 itime 815169 - itsplit 1 - acceleration/energy drift too large 4.46420782384470 - 14.5289292470864 split increased to 2 itime 815170 - itsplit 1 - acceleration/energy drift too large 2.94053539323129 - 11.5960620315047 split increased to 2 itime 815185 - itsplit 1 - acceleration/energy drift too large 2.40704029263305 - 13.3763005697942 split increased to 2 itime 815186 - itsplit 1 - acceleration/energy drift too large 2.63837275012449 - 10.8701207489383 split increased to 2 itime 815188 - itsplit 1 - acceleration/energy drift too large 6.01612773097490 - 11.6213973695546 split increased to 2 itime 815193 - itsplit 1 - acceleration/energy drift too large 2.90916866675405 - 10.4302031107817 split increased to 2 itime 815533 - itsplit 1 - acceleration/energy drift too large 4.82037096144498 - 18.9357308285184 split increased to 2 itime 815860 - itsplit 1 - acceleration/energy drift too large 5.07233349210316 - 30.9946115176401 split increased to 2 itime 816721 - itsplit 1 - acceleration/energy drift too large 7.87591376409342 - 22.7894410786373 split increased to 2 itime 817047 - itsplit 1 - acceleration/energy drift too large 2.65370291747673 - 21.2372518445875 split increased to 2 itime 818273 - itsplit 1 - acceleration/energy drift too large 4.07897898704942 - 21.9699538435856 split increased to 2 itime 818353 - itsplit 1 - acceleration/energy drift too large 6.10237120751135 - 22.7843616315168 split increased to 2 itime 818437 - itsplit 1 - acceleration/energy drift too large 3.23948717298626 - 10.6906857675880 split increased to 2 itime 818589 - itsplit 1 - acceleration/energy drift too large 5.90096589121822 - 21.2728857766801 split increased to 2 itime 819260 - itsplit 1 - acceleration/energy drift too large 5.05280176242742 - 21.6597479186071 split increased to 2 itime 819954 - itsplit 1 - acceleration/energy drift too large 3.04585853038692 - 11.9185562651246 split increased to 2 itime 819970 - itsplit 1 - acceleration/energy drift too large 3.47091725157988 - 10.0118001870343 split increased to 2 itime 820913 - itsplit 1 - acceleration/energy drift too large 3.78234169895502 - 17.0367496884072 split increased to 2 itime 821845 - itsplit 1 - acceleration/energy drift too large 3.37615124590038 - 10.1863203911239 split increased to 2 itime 821916 - itsplit 1 - acceleration/energy drift too large 2.71778429563883 - 10.2228024420978 split increased to 2 itime 821998 - itsplit 1 - acceleration/energy drift too large 4.39072547069725 - 15.3187734493463 split increased to 2 itime 822001 - itsplit 1 - acceleration/energy drift too large 4.14603414679257 - 12.1280306363556 split increased to 2 itime 822026 - itsplit 1 - acceleration/energy drift too large 3.33537754750784 - 10.7308855775522 split increased to 2 itime 822029 - itsplit 1 - acceleration/energy drift too large 4.26362319837894 - 10.2156051741344 split increased to 2 itime 823125 - itsplit 1 - acceleration/energy drift too large 4.04842886067871 - 10.8340315759747 split increased to 2 itime 823717 - itsplit 1 - acceleration/energy drift too large 1.72179993580453 - 11.8647805737219 split increased to 2 itime 823721 - itsplit 1 - acceleration/energy drift too large 2.69724548524296 - 16.2209680473749 split increased to 2 itime 823722 - itsplit 1 - acceleration/energy drift too large 13.7331743389044 - 84.5048630330252 split increased to 2 itime 825198 - itsplit 1 - acceleration/energy drift too large 2.66470686542499 - 10.8927565452928 split increased to 2 itime 825528 - itsplit 1 - acceleration/energy drift too large 3.41673743343863 - 10.9277610871900 split increased to 2 itime 825633 - itsplit 1 - acceleration/energy drift too large 5.82436354323122 - 17.4542030039202 split increased to 2 itime 826198 - itsplit 1 - acceleration/energy drift too large 2.39244958157978 - 15.7040666981162 split increased to 2 itime 826424 - itsplit 1 - acceleration/energy drift too large 6.23359500567962 - 18.8502492153681 split increased to 2 itime 826677 - itsplit 1 - acceleration/energy drift too large 4.92311892717636 - 12.2474036059915 split increased to 2 itime 826748 - itsplit 1 - acceleration/energy drift too large 8.21189290923087 - 23.4027130578157 split increased to 2 itime 827278 - itsplit 1 - acceleration/energy drift too large 6.41389779824785 - 14.7414334204607 split increased to 2 itime 828104 - itsplit 1 - acceleration/energy drift too large 1.98272762043376 - 10.2766999644485 split increased to 2 itime 828376 - itsplit 1 - acceleration/energy drift too large 2.96270298313426 - 11.7318525545359 split increased to 2 itime 828469 - itsplit 1 - acceleration/energy drift too large 2.23856016350484 - 10.8660141037518 split increased to 2 itime 828471 - itsplit 1 - acceleration/energy drift too large 2.66934802348836 - 11.7430049204936 split increased to 2 itime 828480 - itsplit 1 - acceleration/energy drift too large 9.81794534809667 - 46.4792197912866 split increased to 2 itime 829312 - itsplit 1 - acceleration/energy drift too large 4.45892408214464 - 11.0701693208371 split increased to 2 itime 830187 - itsplit 1 - acceleration/energy drift too large 4.28528259029521 - 11.1514826068252 split increased to 2 itime 830294 - itsplit 1 - acceleration/energy drift too large 5.09220803652251 - 14.2176753881925 split increased to 2 itime 832447 - itsplit 1 - acceleration/energy drift too large 9.58242887121927 - 41.2366131612884 split increased to 2 itime 832655 - itsplit 1 - acceleration/energy drift too large 6.30323250826443 - 23.7941525909000 split increased to 2 itime 832831 - itsplit 1 - acceleration/energy drift too large 2.76179187649166 - 10.2838857728992 split increased to 2 itime 832853 - itsplit 1 - acceleration/energy drift too large 6.46996752079699 - 23.7221937361976 split increased to 2 itime 833922 - itsplit 1 - acceleration/energy drift too large 7.01467297336769 - 13.7294261915829 split increased to 2 itime 834997 - itsplit 1 - acceleration/energy drift too large 12.0420091284735 - 20.1377857016638 split increased to 2 itime 836128 - itsplit 1 - acceleration/energy drift too large 2.60117276282373 - 14.7087831769970 split increased to 2 itime 836134 - itsplit 1 - acceleration/energy drift too large 2.50225283516308 - 10.9397304122555 split increased to 2 itime 836173 - itsplit 1 - acceleration/energy drift too large 2.50547526587534 - 12.4987770346219 split increased to 2 itime 836175 - itsplit 1 - acceleration/energy drift too large 5.23378171744697 - 10.9041509336637 split increased to 2 itime 836780 - itsplit 1 - acceleration/energy drift too large 4.65537539386285 - 24.1571521663409 split increased to 2 itime 837715 - itsplit 1 - acceleration/energy drift too large 2.10807086812456 - 16.6460784377000 split increased to 2 itime 838121 - itsplit 1 - acceleration/energy drift too large 5.66536061607819 - 10.3317363689044 split increased to 2 itime 838217 - itsplit 1 - acceleration/energy drift too large 8.05721811325240 - 13.2748972114343 split increased to 2 itime 839823 - itsplit 1 - acceleration/energy drift too large 3.22873810263111 - 10.1025437798592 split increased to 2 itime 839906 - itsplit 1 - acceleration/energy drift too large 3.52333554876054 - 11.1841317776357 split increased to 2 itime 839925 - itsplit 1 - acceleration/energy drift too large 5.89715786601241 - 11.7155501175404 split increased to 2 itime 840293 - itsplit 1 - acceleration/energy drift too large 5.37752169557274 - 16.5706578605612 split increased to 2 itime 840622 - itsplit 1 - acceleration/energy drift too large 4.69165944376808 - 21.7685278534993 split increased to 2 itime 840920 - itsplit 1 - acceleration/energy drift too large 3.72263441924543 - 12.2911371839242 split increased to 2 itime 840921 - itsplit 1 - acceleration/energy drift too large 5.59369709472166 - 26.9903686292085 split increased to 2 itime 842029 - itsplit 1 - acceleration/energy drift too large 4.35897452077884 - 14.6877449982812 split increased to 2 itime 842251 - itsplit 1 - acceleration/energy drift too large 6.78828014511033 - 68.2140269917784 split increased to 2 itime 842921 - itsplit 1 - acceleration/energy drift too large 6.28295402927178 - 10.9108700467637 split increased to 2 itime 844348 - itsplit 1 - acceleration/energy drift too large 5.32692999042284 - 13.6167728294216 split increased to 2 itime 844827 - itsplit 1 - acceleration/energy drift too large 2.74811063260167 - 13.5406297634212 split increased to 2 itime 844909 - itsplit 1 - acceleration/energy drift too large 4.29587200120884 - 11.7658832802984 split increased to 2 itime 845459 - itsplit 1 - acceleration/energy drift too large 7.39505485155663 - 27.7478686918083 split increased to 2 itime 846925 - itsplit 1 - acceleration/energy drift too large 2.08866774272567 - 10.0899211439235 split increased to 2 itime 847068 - itsplit 1 - acceleration/energy drift too large 3.49216024449460 - 16.3352409353763 split increased to 2 itime 847080 - itsplit 1 - acceleration/energy drift too large 3.73648412095696 - 12.5321887982122 split increased to 2 itime 847082 - itsplit 1 - acceleration/energy drift too large 3.79871898072840 - 14.2284955596256 split increased to 2 itime 847083 - itsplit 1 - acceleration/energy drift too large 2.90368776294063 - 10.2382577440590 split increased to 2 itime 847090 - itsplit 1 - acceleration/energy drift too large 3.63075863189237 - 11.8796026796296 split increased to 2 itime 847092 - itsplit 1 - acceleration/energy drift too large 4.71202833658062 - 11.4947328282365 split increased to 2 itime 847093 - itsplit 1 - acceleration/energy drift too large 2.61306418272524 - 10.5407353724866 split increased to 2 itime 847094 - itsplit 1 - acceleration/energy drift too large 5.36818447917145 - 12.8178709323890 split increased to 2 itime 847100 - itsplit 1 - acceleration/energy drift too large 4.09454734008267 - 23.0544229637787 split increased to 2 itime 847104 - itsplit 1 - acceleration/energy drift too large 3.94620012069803 - 13.0132357847576 split increased to 2 itime 847105 - itsplit 1 - acceleration/energy drift too large 5.92556603177573 - 14.5964383968589 split increased to 2 itime 847106 - itsplit 1 - acceleration/energy drift too large 3.69516272322461 - 12.7826853421482 split increased to 2 itime 847108 - itsplit 1 - acceleration/energy drift too large 4.69535222624778 - 23.3248365775328 split increased to 2 itime 847109 - itsplit 1 - acceleration/energy drift too large 6.24449848876909 - 12.7723211355282 split increased to 2 itime 847110 - itsplit 1 - acceleration/energy drift too large 4.20353993631563 - 25.0325800418216 split increased to 2 itime 847111 - itsplit 1 - acceleration/energy drift too large 5.05352489961528 - 14.2710947376936 split increased to 2 itime 847112 - itsplit 1 - acceleration/energy drift too large 5.84426671617278 - 29.0576944708438 split increased to 2 itime 847113 - itsplit 1 - acceleration/energy drift too large 4.19448826595036 - 16.6400771404081 split increased to 2 itime 847115 - itsplit 1 - acceleration/energy drift too large 4.72595708632448 - 10.7053172067701 split increased to 2 itime 847128 - itsplit 1 - acceleration/energy drift too large 2.86545144415858 - 10.3918800821794 split increased to 2 itime 847132 - itsplit 1 - acceleration/energy drift too large 3.55880576289975 - 10.4022666242638 split increased to 2 itime 847133 - itsplit 1 - acceleration/energy drift too large 2.85289518505751 - 16.9939542430086 split increased to 2 itime 847138 - itsplit 1 - acceleration/energy drift too large 4.19713389218135 - 11.6883047708061 split increased to 2 itime 847144 - itsplit 1 - acceleration/energy drift too large 2.99204329048327 - 10.1759934380129 split increased to 2 itime 847146 - itsplit 1 - acceleration/energy drift too large 4.34540309465263 - 10.4525037960785 split increased to 2 itime 847148 - itsplit 1 - acceleration/energy drift too large 3.34441294773953 - 19.7210023480150 split increased to 2 itime 847149 - itsplit 1 - acceleration/energy drift too large 4.75498703478143 - 11.4595926399508 split increased to 2 itime 847156 - itsplit 1 - acceleration/energy drift too large 5.25564406172054 - 14.1825212322780 split increased to 2 itime 847158 - itsplit 1 - acceleration/energy drift too large 3.72209543849954 - 12.6540477866308 split increased to 2 itime 847160 - itsplit 1 - acceleration/energy drift too large 4.17489035382349 - 16.6200187591341 split increased to 2 itime 847161 - itsplit 1 - acceleration/energy drift too large 4.86943043572218 - 10.7469818689684 split increased to 2 itime 847162 - itsplit 1 - acceleration/energy drift too large 4.55582429153348 - 14.9712004209752 split increased to 2 itime 847163 - itsplit 1 - acceleration/energy drift too large 3.27950334137442 - 10.1619535824763 split increased to 2 itime 847164 - itsplit 1 - acceleration/energy drift too large 4.66263444148753 - 25.1228148235961 split increased to 2 itime 847165 - itsplit 1 - acceleration/energy drift too large 2.75812781001029 - 11.3253546014032 split increased to 2 itime 847167 - itsplit 1 - acceleration/energy drift too large 4.33823206582491 - 10.7072274822769 split increased to 2 itime 847168 - itsplit 1 - acceleration/energy drift too large 3.38428134435593 - 14.9185676154569 split increased to 2 itime 847169 - itsplit 1 - acceleration/energy drift too large 4.29452895473413 - 10.1975743398768 split increased to 2 itime 847183 - itsplit 1 - acceleration/energy drift too large 4.03638522720032 - 10.2153790009562 split increased to 2 itime 847304 - itsplit 1 - acceleration/energy drift too large 2.95219427844642 - 10.3699343449518 split increased to 2 itime 848185 - itsplit 1 - acceleration/energy drift too large 4.06441965201668 - 11.2624611204339 split increased to 2 itime 848254 - itsplit 1 - acceleration/energy drift too large 2.86875767264072 - 24.8488139641294 split increased to 2 itime 848923 - itsplit 1 - acceleration/energy drift too large 6.59418031402576 - 12.5326600541573 split increased to 2 itime 849882 - itsplit 1 - acceleration/energy drift too large 2.48569202672163 - 10.3206565436728 split increased to 2 itime 849904 - itsplit 1 - acceleration/energy drift too large 3.48965481857909 - 10.1886420645067 split increased to 2 itime 850381 - itsplit 1 - acceleration/energy drift too large 4.92187917817594 - 14.8411146856012 split increased to 2 itime 850742 - itsplit 1 - acceleration/energy drift too large 11.4722128403508 - 65.1348127208957 split increased to 2 itime 850745 - itsplit 1 - acceleration/energy drift too large 3.06530279454802 - 19.2424039486603 split increased to 4 itime 850745 - itsplit 2 - acceleration/energy drift too large 2.15603601757294 - 10.2248399616789 split increased to 2 itime 850913 - itsplit 1 - acceleration/energy drift too large 2.38124441644250 - 10.9395746668282 split increased to 2 itime 850918 - itsplit 1 - acceleration/energy drift too large 3.66419799126729 - 10.0932717230646 split increased to 2 itime 852322 - itsplit 1 - acceleration/energy drift too large 3.88640950807502 - 13.3381828439116 split increased to 2 itime 853385 - itsplit 1 - acceleration/energy drift too large 3.87523550098690 - 10.1733614476060 split increased to 2 itime 853619 - itsplit 1 - acceleration/energy drift too large 3.78263520241054 - 10.3469163338587 split increased to 2 itime 856034 - itsplit 1 - acceleration/energy drift too large 4.48244832650068 - 22.0268064844471 split increased to 2 itime 856790 - itsplit 1 - acceleration/energy drift too large 10.1638102470482 - 41.1802797682316 split increased to 2 itime 856802 - itsplit 1 - acceleration/energy drift too large 4.13173847376803 - 16.4398927305867 split increased to 2 itime 857038 - itsplit 1 - acceleration/energy drift too large 5.52139035233061 - 37.4154913396524 split increased to 2 itime 857667 - itsplit 1 - acceleration/energy drift too large 1.47019683581455 - 10.3282771245595 split increased to 4 itime 857667 - itsplit 2 - acceleration/energy drift too large 6.26298378882389 - 12.6339044924792 split increased to 2 itime 858039 - itsplit 1 - acceleration/energy drift too large 5.02496751453694 - 23.9797849662949 split increased to 2 itime 858272 - itsplit 1 - acceleration/energy drift too large 2.71215643060914 - 12.2812389324929 split increased to 2 itime 859189 - itsplit 1 - acceleration/energy drift too large 8.16445534356471 - 31.5104709815233 split increased to 2 itime 859282 - itsplit 1 - acceleration/energy drift too large 6.33814460710215 - 19.0089958831885 split increased to 2 itime 859696 - itsplit 1 - acceleration/energy drift too large 2.01973888017996 - 11.3017064993068 split increased to 2 itime 860176 - itsplit 1 - acceleration/energy drift too large 3.68043410416533 - 10.9665139715313 split increased to 2 itime 860482 - itsplit 1 - acceleration/energy drift too large 4.38834511153569 - 21.1804013615380 split increased to 2 itime 861700 - itsplit 1 - acceleration/energy drift too large 2.47504552142882 - 10.7519378058018 split increased to 2 itime 862096 - itsplit 1 - acceleration/energy drift too large 5.88048980705060 - 22.6943207385571 split increased to 2 itime 862410 - itsplit 1 - acceleration/energy drift too large 5.33497978272079 - 15.4416581336628 split increased to 2 itime 862757 - itsplit 1 - acceleration/energy drift too large 3.58984677596980 - 11.2691427491082 split increased to 2 itime 863426 - itsplit 1 - acceleration/energy drift too large 4.67110995691321 - 15.3573006217360 split increased to 2 itime 863816 - itsplit 1 - acceleration/energy drift too large 2.88308257296694 - 17.9983181980994 split increased to 2 itime 864608 - itsplit 1 - acceleration/energy drift too large 7.17971481818921 - 13.2463095101824 split increased to 2 itime 864677 - itsplit 1 - acceleration/energy drift too large 2.55026253160826 - 13.2249825213959 split increased to 2 itime 865023 - itsplit 1 - acceleration/energy drift too large 9.72672756003151 - 43.6229396805800 split increased to 2 itime 865173 - itsplit 1 - acceleration/energy drift too large 16.1123045178537 - 97.3914011593017 split increased to 2 itime 865373 - itsplit 1 - acceleration/energy drift too large 5.58209611622758 - 21.5874215437644 split increased to 2 itime 865573 - itsplit 1 - acceleration/energy drift too large 7.00736081128928 - 28.7547328057902 split increased to 2 itime 865835 - itsplit 1 - acceleration/energy drift too large 4.37082073569142 - 11.5255606320542 split increased to 2 itime 866132 - itsplit 1 - acceleration/energy drift too large 13.5054734392648 - 85.2213778112010 split increased to 2 itime 867505 - itsplit 1 - acceleration/energy drift too large 2.38129441355941 - 10.7855325377487 split increased to 4 itime 867505 - itsplit 2 - acceleration/energy drift too large 7.74512405241439 - 27.8846347098393 split increased to 2 itime 868627 - itsplit 1 - acceleration/energy drift too large 4.11377944541355 - 16.7703921920226 split increased to 2 itime 869047 - itsplit 1 - acceleration/energy drift too large 10.0310835891838 - 61.9408148514311 split increased to 2 itime 869229 - itsplit 1 - acceleration/energy drift too large 4.46369155634255 - 22.1443003046766 split increased to 2 itime 870668 - itsplit 1 - acceleration/energy drift too large 5.21790683673772 - 14.1891248992773 split increased to 2 itime 871539 - itsplit 1 - acceleration/energy drift too large 5.18856855998587 - 14.7571847069736 split increased to 2 itime 871806 - itsplit 1 - acceleration/energy drift too large 4.59909925533037 - 25.0686095855792 split increased to 2 itime 872734 - itsplit 1 - acceleration/energy drift too large 6.08967718042661 - 11.4374856834159 split increased to 2 itime 873450 - itsplit 1 - acceleration/energy drift too large 6.74632025914056 - 17.7332379179095 split increased to 2 itime 873539 - itsplit 1 - acceleration/energy drift too large 4.70643529155967 - 21.4805774835283 split increased to 2 itime 874588 - itsplit 1 - acceleration/energy drift too large 7.39430011485530 - 12.3522055680542 split increased to 2 itime 875465 - itsplit 1 - acceleration/energy drift too large 4.78825642543626 - 17.3874010725700 split increased to 2 itime 877881 - itsplit 1 - acceleration/energy drift too large 5.97681993805455 - 25.1354272606663 split increased to 2 itime 878396 - itsplit 1 - acceleration/energy drift too large 3.38300668698684 - 11.2820665972356 split increased to 2 itime 878888 - itsplit 1 - acceleration/energy drift too large 3.36738911102145 - 11.4231502752145 split increased to 2 itime 878965 - itsplit 1 - acceleration/energy drift too large 3.27096232918144 - 11.6906469590648 split increased to 2 itime 879257 - itsplit 1 - acceleration/energy drift too large 2.50065693167542 - 10.1948988045938 split increased to 2 itime 879260 - itsplit 1 - acceleration/energy drift too large 4.15099666860368 - 22.4062377548476 split increased to 2 itime 879352 - itsplit 1 - acceleration/energy drift too large 4.91538129707681 - 26.9531880059950 split increased to 2 itime 879353 - itsplit 1 - acceleration/energy drift too large 4.09267525824722 - 12.5315299860999 split increased to 2 itime 879360 - itsplit 1 - acceleration/energy drift too large 4.07946715948461 - 11.7567248249081 split increased to 2 itime 879372 - itsplit 1 - acceleration/energy drift too large 4.11026067581148 - 13.2030804038471 split increased to 2 itime 879442 - itsplit 1 - acceleration/energy drift too large 4.77715292520984 - 12.1369134797405 split increased to 2 itime 879449 - itsplit 1 - acceleration/energy drift too large 3.03957587296397 - 10.2446756573318 split increased to 2 itime 879456 - itsplit 1 - acceleration/energy drift too large 3.51411230973672 - 12.1065997295872 split increased to 2 itime 879926 - itsplit 1 - acceleration/energy drift too large 6.43830247242766 - 13.5153094884764 split increased to 2 itime 881694 - itsplit 1 - acceleration/energy drift too large 6.23424169883068 - 16.0694557272369 split increased to 2 itime 882565 - itsplit 1 - acceleration/energy drift too large 3.00129054725997 - 12.5424350648785 split increased to 2 itime 882616 - itsplit 1 - acceleration/energy drift too large 2.64632954261225 - 11.4482186586230 split increased to 2 itime 882637 - itsplit 1 - acceleration/energy drift too large 2.03798771559294 - 10.8170647412822 split increased to 2 itime 882821 - itsplit 1 - acceleration/energy drift too large 2.93770528230155 - 10.8554139349772 split increased to 2 itime 882826 - itsplit 1 - acceleration/energy drift too large 3.68870639297268 - 11.5061829305108 split increased to 2 itime 882877 - itsplit 1 - acceleration/energy drift too large 3.71427960472610 - 21.1676012119596 split increased to 2 itime 883245 - itsplit 1 - acceleration/energy drift too large 5.13779149477282 - 10.1143672788170 split increased to 2 itime 883846 - itsplit 1 - acceleration/energy drift too large 2.39493555602771 - 11.4600831097461 split increased to 2 itime 884378 - itsplit 1 - acceleration/energy drift too large 6.33588345588591 - 15.6473331344997 split increased to 2 itime 884935 - itsplit 1 - acceleration/energy drift too large 4.56358235999393 - 16.6694381049531 split increased to 2 itime 885196 - itsplit 1 - acceleration/energy drift too large 3.53512452901201 - 10.9077368686268 split increased to 2 itime 885197 - itsplit 1 - acceleration/energy drift too large 3.59163475371097 - 10.7414490848442 split increased to 2 itime 885844 - itsplit 1 - acceleration/energy drift too large 6.21656116299036 - 20.5906411499767 split increased to 2 itime 885919 - itsplit 1 - acceleration/energy drift too large 5.31966423852916 - 15.4834819562055 split increased to 2 itime 886902 - itsplit 1 - acceleration/energy drift too large 6.92817499917769 - 10.6425015729690 split increased to 2 itime 887332 - itsplit 1 - acceleration/energy drift too large 9.59784482132046 - 25.0759581404714 split increased to 2 itime 887514 - itsplit 1 - acceleration/energy drift too large 5.92848984927603 - 38.3959018713859 split increased to 2 itime 887707 - itsplit 1 - acceleration/energy drift too large 2.06845978277478 - 10.5430082853768 split increased to 2 itime 889138 - itsplit 1 - acceleration/energy drift too large 2.83414016243626 - 11.8018460266457 split increased to 2 itime 889222 - itsplit 1 - acceleration/energy drift too large 2.55870891892554 - 14.8910340409304 split increased to 2 itime 889240 - itsplit 1 - acceleration/energy drift too large 3.00060767355376 - 10.6606536066186 split increased to 2 itime 889284 - itsplit 1 - acceleration/energy drift too large 4.67906141506718 - 15.0429765367215 split increased to 2 itime 891086 - itsplit 1 - acceleration/energy drift too large 3.09771740328792 - 18.1413160621814 split increased to 2 itime 891387 - itsplit 1 - acceleration/energy drift too large 2.89969614810145 - 12.5521838483630 split increased to 2 itime 893393 - itsplit 1 - acceleration/energy drift too large 7.38575339068290 - 27.2347153498468 split increased to 2 itime 893480 - itsplit 1 - acceleration/energy drift too large 3.71924361918418 - 10.5875732624885 split increased to 2 itime 894036 - itsplit 1 - acceleration/energy drift too large 2.50031708798051 - 10.0317738019304 split increased to 2 itime 894775 - itsplit 1 - acceleration/energy drift too large 2.41860265002419 - 10.0778580103964 split increased to 2 itime 895254 - itsplit 1 - acceleration/energy drift too large 6.12301061561256 - 11.6802293505378 split increased to 2 itime 896376 - itsplit 1 - acceleration/energy drift too large 6.13173639117314 - 40.6100154709416 split increased to 2 itime 896752 - itsplit 1 - acceleration/energy drift too large 6.66283243133982 - 15.9062543336785 split increased to 2 itime 896788 - itsplit 1 - acceleration/energy drift too large 7.65531306146650 - 38.5476251636030 split increased to 2 itime 897804 - itsplit 1 - acceleration/energy drift too large 5.04548513627763 - 12.2394916455316 split increased to 2 itime 897984 - itsplit 1 - acceleration/energy drift too large 3.60563855331779 - 14.0372787991910 split increased to 2 itime 898141 - itsplit 1 - acceleration/energy drift too large 2.99385443794211 - 10.5579887350577 split increased to 2 itime 898191 - itsplit 1 - acceleration/energy drift too large 3.12642648554429 - 10.6196226037166 split increased to 2 itime 898200 - itsplit 1 - acceleration/energy drift too large 2.90557241593064 - 10.0920384231076 split increased to 2 itime 898243 - itsplit 1 - acceleration/energy drift too large 2.15996185085474 - 10.1274803261365 split increased to 2 itime 898248 - itsplit 1 - acceleration/energy drift too large 2.62612152906742 - 10.9386562989034 split increased to 2 itime 898250 - itsplit 1 - acceleration/energy drift too large 2.29864435350013 - 10.0601373091055 split increased to 2 itime 898259 - itsplit 1 - acceleration/energy drift too large 3.52782753785405 - 10.9966882982924 split increased to 2 itime 898277 - itsplit 1 - acceleration/energy drift too large 4.79656554452478 - 12.4855347661078 split increased to 2 itime 898280 - itsplit 1 - acceleration/energy drift too large 2.31520404726971 - 10.4127904236326 split increased to 2 itime 898282 - itsplit 1 - acceleration/energy drift too large 3.74575973075621 - 13.3998072178123 split increased to 2 itime 898291 - itsplit 1 - acceleration/energy drift too large 3.61316904809170 - 15.0649600715318 split increased to 2 itime 898836 - itsplit 1 - acceleration/energy drift too large 4.50436928160336 - 10.7719585156443 split increased to 2 itime 899315 - itsplit 1 - acceleration/energy drift too large 17.8859032616243 - 106.266942735515 split increased to 2 itime 899371 - itsplit 1 - acceleration/energy drift too large 4.93612276327650 - 12.6342149895357 split increased to 2 itime 899673 - itsplit 1 - acceleration/energy drift too large 10.7881199039967 - 26.0999504533117 split increased to 2 itime 899748 - itsplit 1 - acceleration/energy drift too large 6.60397918733171 - 10.4484620365785 split increased to 2 itime 899967 + acceleration/energy drift too large 3.81521778771810 + 22.9153789837453 split increased to 2 itime 897065 itsplit 1 REMD synchro at 900000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 418.390625000000 0.000000000000000E+000 - REMD writing rst time= 7.812500000000000E-003 + REMD gather times= 356.390625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.22222 9 -ACC 2 260.00000 0.44444 9 -ACC 3 270.00000 0.77778 9 -ACC 4 280.00000 0.66667 9 +ACC 2 260.00000 0.77778 9 +ACC 3 270.00000 0.44444 9 +ACC 4 280.00000 0.33333 9 ACC 5 290.00000 0.55556 9 -ACC 6 300.00000 0.66667 9 +ACC 6 300.00000 0.88889 9 ACC 7 310.00000 0.55556 9 -ACC 8 320.00000 0.55556 9 -ACC 9 330.00000 0.77778 9 -ACC 10 340.00000 0.66667 9 -ACC 11 350.00000 0.88889 9 -ACC 12 360.00000 1.00000 9 -ACC 13 370.00000 0.77778 9 -ACC 14 380.00000 0.88889 9 -ACC 15 390.00000 0.88889 9 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 7.19363526093023 - 26.4376444688116 split increased to 2 itime 900044 - itsplit 1 - acceleration/energy drift too large 6.92581658774866 - 21.9658167318826 split increased to 2 itime 900346 - itsplit 1 - acceleration/energy drift too large 2.97211997086592 - 11.9360471099954 split increased to 2 itime 901378 - itsplit 1 - acceleration/energy drift too large 6.24403093852662 - 14.1018812225351 split increased to 2 itime 902498 - itsplit 1 - acceleration/energy drift too large 2.61072058071699 - 12.1470178462207 split increased to 2 itime 903394 - itsplit 1 - acceleration/energy drift too large 4.33752065538737 - 10.4626602159398 split increased to 2 itime 903681 - itsplit 1 - acceleration/energy drift too large 2.63015490742958 - 11.3920505406353 split increased to 2 itime 903684 - itsplit 1 - acceleration/energy drift too large 7.67250342656507 - 25.1133574631307 split increased to 2 itime 903804 - itsplit 1 - acceleration/energy drift too large 4.22668077955831 - 13.2232289978048 split increased to 2 itime 903809 - itsplit 1 - acceleration/energy drift too large 2.32963591048908 - 10.1833664121449 split increased to 2 itime 905247 - itsplit 1 - acceleration/energy drift too large 7.03248797563217 - 16.1739426686094 split increased to 2 itime 906879 - itsplit 1 - acceleration/energy drift too large 4.55985910815626 - 10.4380955833394 split increased to 2 itime 907514 - itsplit 1 - acceleration/energy drift too large 6.36555807236685 - 34.9090426477884 split increased to 2 itime 907517 - itsplit 1 - acceleration/energy drift too large 5.41031934237241 - 32.8866328107412 split increased to 2 itime 907596 - itsplit 1 - acceleration/energy drift too large 11.6903973285339 - 59.7893544595390 split increased to 2 itime 907657 - itsplit 1 - acceleration/energy drift too large 4.37129194833860 - 23.1302354327832 split increased to 2 itime 907695 - itsplit 1 - acceleration/energy drift too large 4.36859325201302 - 12.6303119712371 split increased to 2 itime 907802 - itsplit 1 - acceleration/energy drift too large 4.59262654842513 - 15.5371800467682 split increased to 2 itime 909753 - itsplit 1 - acceleration/energy drift too large 5.43011179395092 - 14.7040863259214 split increased to 2 itime 910310 - itsplit 1 - acceleration/energy drift too large 4.42627562482947 - 29.3712599684341 split increased to 2 itime 910776 - itsplit 1 - acceleration/energy drift too large 3.07904421686499 - 21.5064581761256 split increased to 2 itime 911508 - itsplit 1 - acceleration/energy drift too large 2.45282789389472 - 10.8097273101652 split increased to 2 itime 911537 - itsplit 1 - acceleration/energy drift too large 1.82745687227273 - 10.4986123247086 split increased to 2 itime 911545 - itsplit 1 - acceleration/energy drift too large 2.58935149075084 - 10.5140245490475 split increased to 2 itime 911796 - itsplit 1 - acceleration/energy drift too large 3.60018630959506 - 13.1986129409376 split increased to 2 itime 913461 - itsplit 1 - acceleration/energy drift too large 4.03977663898377 - 12.8229104374460 split increased to 2 itime 913880 - itsplit 1 - acceleration/energy drift too large 3.00363408568415 - 10.0495309005863 split increased to 2 itime 915275 - itsplit 1 - acceleration/energy drift too large 13.1566936484644 - 61.9485232683799 split increased to 2 itime 915285 - itsplit 1 - acceleration/energy drift too large 9.56751163619143 - 41.7438456653892 split increased to 2 itime 915430 - itsplit 1 - acceleration/energy drift too large 2.45306682179620 - 11.4492086576488 split increased to 2 itime 915498 - itsplit 1 - acceleration/energy drift too large 2.83727872126258 - 14.0482140947185 split increased to 2 itime 915607 - itsplit 1 - acceleration/energy drift too large 2.06884141375289 - 10.7533911661877 split increased to 2 itime 915608 - itsplit 1 - acceleration/energy drift too large 3.95079701548853 - 12.1537483298018 split increased to 2 itime 915716 - itsplit 1 - acceleration/energy drift too large 1.76063093190684 - 10.0121717544294 split increased to 2 itime 915717 - itsplit 1 - acceleration/energy drift too large 2.35817906808635 - 10.3795404305913 split increased to 2 itime 916699 - itsplit 1 - acceleration/energy drift too large 3.18090985794674 - 10.1186778852343 split increased to 2 itime 916716 - itsplit 1 - acceleration/energy drift too large 3.52646219648039 - 11.0083147315511 split increased to 2 itime 916736 - itsplit 1 - acceleration/energy drift too large 5.41401834887136 - 16.3250059968395 split increased to 2 itime 917065 - itsplit 1 - acceleration/energy drift too large 6.24654337262521 - 15.9467177506748 split increased to 2 itime 917088 - itsplit 1 - acceleration/energy drift too large 3.42123613024447 - 10.8293378813490 split increased to 2 itime 920360 - itsplit 1 - acceleration/energy drift too large 4.52348937499026 - 17.4160819846422 split increased to 2 itime 920481 - itsplit 1 - acceleration/energy drift too large 5.58307849409111 - 12.8384864984895 split increased to 2 itime 920508 - itsplit 1 - acceleration/energy drift too large 3.76293060028863 - 10.4230197580210 split increased to 2 itime 920938 - itsplit 1 - acceleration/energy drift too large 5.72487089244271 - 10.1269518764896 split increased to 2 itime 921451 - itsplit 1 - acceleration/energy drift too large 3.05685742697572 - 11.2928420728845 split increased to 2 itime 923134 - itsplit 1 - acceleration/energy drift too large 10.6418438989357 - 54.9804193206298 split increased to 2 itime 923293 - itsplit 1 - acceleration/energy drift too large 2.97542255625461 - 11.9018077569453 split increased to 2 itime 923294 - itsplit 1 - acceleration/energy drift too large 2.95064314798234 - 10.5898567931776 split increased to 2 itime 923312 - itsplit 1 - acceleration/energy drift too large 3.33155659791832 - 11.1075821708860 split increased to 2 itime 923523 - itsplit 1 - acceleration/energy drift too large 3.98195701216055 - 24.2323088930330 split increased to 2 itime 926080 - itsplit 1 - acceleration/energy drift too large 3.42082283129700 - 17.4005162816140 split increased to 2 itime 926661 - itsplit 1 - acceleration/energy drift too large 4.82095207791204 - 10.0085769282235 split increased to 2 itime 929282 - itsplit 1 - acceleration/energy drift too large 6.62690459192029 - 22.7542037107264 split increased to 2 itime 929855 - itsplit 1 - acceleration/energy drift too large 9.66454130856915 - 52.3842380943336 split increased to 2 itime 930101 - itsplit 1 - acceleration/energy drift too large 6.58848101894597 - 31.1344918135040 split increased to 2 itime 930503 - itsplit 1 - acceleration/energy drift too large 2.10676197962160 - 13.6263419691175 split increased to 2 itime 930667 - itsplit 1 - acceleration/energy drift too large 3.08721849299433 - 11.3374208464538 split increased to 2 itime 930683 - itsplit 1 - acceleration/energy drift too large 3.30363134189609 - 12.3716584794392 split increased to 2 itime 930685 - itsplit 1 - acceleration/energy drift too large 2.14749820212985 - 12.4616872901649 split increased to 2 itime 930690 - itsplit 1 - acceleration/energy drift too large 4.11062001736540 - 13.2334539230016 split increased to 2 itime 930778 - itsplit 1 - acceleration/energy drift too large 3.99271156031664 - 10.4082990315217 split increased to 2 itime 930780 - itsplit 1 - acceleration/energy drift too large 3.14085917988531 - 13.4615132321333 split increased to 2 itime 930807 - itsplit 1 - acceleration/energy drift too large 2.19184874715178 - 10.6524649128168 split increased to 2 itime 930809 - itsplit 1 - acceleration/energy drift too large 2.60269138739621 - 10.2552486452875 split increased to 2 itime 930810 - itsplit 1 - acceleration/energy drift too large 2.04336848321291 - 10.3940347580703 split increased to 2 itime 930812 - itsplit 1 - acceleration/energy drift too large 3.52689536788265 - 14.6483036895294 split increased to 2 itime 930932 - itsplit 1 - acceleration/energy drift too large 5.70582832319517 - 39.1036944602793 split increased to 2 itime 930952 - itsplit 1 - acceleration/energy drift too large 8.92273950313895 - 43.0721842916357 split increased to 2 itime 931121 - itsplit 1 - acceleration/energy drift too large 2.18544868871736 - 10.2871492974681 split increased to 2 itime 931685 - itsplit 1 - acceleration/energy drift too large 4.10032675586481 - 12.8172823178174 split increased to 2 itime 932977 - itsplit 1 - acceleration/energy drift too large 5.08582074895004 - 12.8841224375240 split increased to 2 itime 933761 - itsplit 1 - acceleration/energy drift too large 5.06748878429286 - 16.6264935256466 split increased to 2 itime 935355 - itsplit 1 - acceleration/energy drift too large 5.04793245705423 - 12.5334527792044 split increased to 2 itime 937381 - itsplit 1 - acceleration/energy drift too large 4.13329546271268 - 10.1111058379699 split increased to 2 itime 937388 - itsplit 1 - acceleration/energy drift too large 4.25892809076758 - 23.4965933718114 split increased to 2 itime 937853 - itsplit 1 - acceleration/energy drift too large 2.01389642739375 - 11.1359609510126 split increased to 2 itime 938066 - itsplit 1 - acceleration/energy drift too large 11.9561132235887 - 68.4733647228573 split increased to 2 itime 939131 - itsplit 1 - acceleration/energy drift too large 6.62026118239343 - 49.5095904282916 split increased to 2 itime 939748 - itsplit 1 - acceleration/energy drift too large 6.50306648653270 - 29.9110279037852 split increased to 2 itime 939882 - itsplit 1 - acceleration/energy drift too large 5.81292006783853 - 11.5002791063382 split increased to 2 itime 940461 - itsplit 1 - acceleration/energy drift too large 3.84105923526881 - 13.6099161563810 split increased to 2 itime 940586 - itsplit 1 - acceleration/energy drift too large 4.36018446324520 - 10.4355491014793 split increased to 2 itime 940717 - itsplit 1 - acceleration/energy drift too large 4.73540688413573 - 11.8752740256946 split increased to 2 itime 941585 - itsplit 1 - acceleration/energy drift too large 6.27777010711216 - 14.9739269139566 split increased to 2 itime 942177 - itsplit 1 - acceleration/energy drift too large 4.77187467086803 - 28.0518863127247 split increased to 2 itime 943975 - itsplit 1 - acceleration/energy drift too large 4.06206076320509 - 10.6296578611728 split increased to 2 itime 945706 - itsplit 1 - acceleration/energy drift too large 5.42852126925631 - 30.8875539452810 split increased to 2 itime 945819 - itsplit 1 - acceleration/energy drift too large 4.12748474808147 - 14.7122446468742 split increased to 2 itime 948175 - itsplit 1 - acceleration/energy drift too large 3.75767002463968 - 21.1672333210082 split increased to 2 itime 948474 - itsplit 1 - acceleration/energy drift too large 3.55891306554249 - 10.0506206298953 split increased to 2 itime 948554 - itsplit 1 - acceleration/energy drift too large 3.84631196203221 - 21.7247458983374 split increased to 2 itime 948714 - itsplit 1 - acceleration/energy drift too large 5.64839053021019 - 15.0860189150167 split increased to 2 itime 950010 - itsplit 1 - acceleration/energy drift too large 5.52824763386011 - 10.8087432135634 split increased to 2 itime 950033 - itsplit 1 - acceleration/energy drift too large 5.57046201749486 - 35.8258031520426 split increased to 2 itime 950152 - itsplit 1 - acceleration/energy drift too large 4.68693682257291 - 13.4451126304655 split increased to 2 itime 950423 - itsplit 1 - acceleration/energy drift too large 3.42968959873802 - 10.3037992797257 split increased to 2 itime 950479 - itsplit 1 - acceleration/energy drift too large 4.00996242350251 - 10.8596341414400 split increased to 2 itime 950534 - itsplit 1 - acceleration/energy drift too large 4.64214096535013 - 11.5000290740990 split increased to 2 itime 950567 - itsplit 1 - acceleration/energy drift too large 5.60749690034253 - 30.1402888645638 split increased to 2 itime 950943 - itsplit 1 - acceleration/energy drift too large 6.10440988702038 - 14.0908256877974 split increased to 2 itime 952353 - itsplit 1 - acceleration/energy drift too large 3.02427022882836 - 11.4950612037903 split increased to 2 itime 954716 - itsplit 1 - acceleration/energy drift too large 8.11181273944229 - 25.8453536523501 split increased to 2 itime 954792 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 6.57808466903543 + 14.2966236603601 split increased to 2 itime 900512 itsplit 1 - acceleration/energy drift too large 5.78554790892165 - 13.3256810833222 split increased to 2 itime 957878 + acceleration/energy drift too large 2.59229150258786 + 10.4080798753601 split increased to 2 itime 901350 itsplit 1 - acceleration/energy drift too large 4.28220245111358 - 15.3967273379289 split increased to 2 itime 958129 + acceleration/energy drift too large 7.69125874110519 + 23.7007796428610 split increased to 2 itime 902572 itsplit 1 - acceleration/energy drift too large 2.59652760530668 - 10.5648657320623 split increased to 2 itime 958132 + acceleration/energy drift too large 3.21110129327291 + 10.0423126070215 split increased to 2 itime 903784 itsplit 1 - acceleration/energy drift too large 1.61451807329374 - 10.1009312963666 split increased to 2 itime 958156 + acceleration/energy drift too large 12.3085257846634 + 55.2456446465172 split increased to 2 itime 905864 itsplit 1 - acceleration/energy drift too large 4.38502621693771 - 14.5845352689647 split increased to 2 itime 958186 + acceleration/energy drift too large 4.52591552115366 + 14.1527736760797 split increased to 2 itime 907361 itsplit 1 - acceleration/energy drift too large 2.96708412321547 - 10.6613672710611 split increased to 2 itime 958187 + acceleration/energy drift too large 1.99420534523600 + 11.8715454235411 split increased to 2 itime 908938 itsplit 1 - acceleration/energy drift too large 3.06719611040155 - 11.7033679886552 split increased to 2 itime 958227 + acceleration/energy drift too large 2.84991716936482 + 11.5679143197226 split increased to 2 itime 909045 itsplit 1 - acceleration/energy drift too large 8.93361772328442 - 62.1165479749755 split increased to 2 itime 958771 + acceleration/energy drift too large 2.53446373565771 + 11.3900046128801 split increased to 2 itime 909053 itsplit 1 - acceleration/energy drift too large 5.56652456694105 - 11.3826117183827 split increased to 2 itime 959119 + acceleration/energy drift too large 5.62223323930956 + 17.2458777836118 split increased to 2 itime 910736 itsplit 1 - acceleration/energy drift too large 2.77236347499016 - 10.4981910074322 split increased to 2 itime 960636 + acceleration/energy drift too large 2.50303839568308 + 10.0124697161464 split increased to 2 itime 913252 itsplit 1 - acceleration/energy drift too large 4.20826461807149 - 14.3474455133112 split increased to 2 itime 960906 + acceleration/energy drift too large 9.53925841058432 + 23.8317261527347 split increased to 2 itime 914590 itsplit 1 - acceleration/energy drift too large 7.79055187860155 - 23.0283638090609 split increased to 2 itime 961278 + acceleration/energy drift too large 7.33635983353724 + 19.8127222755395 split increased to 2 itime 915005 itsplit 1 - acceleration/energy drift too large 2.08464270723004 - 16.0700358356114 split increased to 2 itime 961279 + acceleration/energy drift too large 3.48151431215448 + 11.2218821811313 split increased to 2 itime 915007 itsplit 1 - acceleration/energy drift too large 4.74153576939305 - 11.1674513052506 split increased to 2 itime 961769 + acceleration/energy drift too large 4.10632542294466 + 13.0497696370744 split increased to 2 itime 915022 itsplit 1 - acceleration/energy drift too large 4.14293351474291 - 10.2796929589830 split increased to 2 itime 961778 + acceleration/energy drift too large 9.78569117524985 + 51.4740864589150 split increased to 2 itime 915241 itsplit 1 - acceleration/energy drift too large 3.74774896649738 - 12.0458681041903 split increased to 2 itime 962089 + acceleration/energy drift too large 6.82349686974094 + 11.6662522868597 split increased to 2 itime 916490 itsplit 1 - acceleration/energy drift too large 8.48233251900257 - 43.2608504669463 split increased to 2 itime 962328 + acceleration/energy drift too large 2.74022016143286 + 10.1010455244959 split increased to 2 itime 917947 itsplit 1 - acceleration/energy drift too large 5.00786122772515 - 38.5047773715209 split increased to 2 itime 962814 + acceleration/energy drift too large 2.94194580192428 + 10.5895677935487 split increased to 2 itime 917971 itsplit 1 - acceleration/energy drift too large 2.39871872120630 - 16.3473324869437 split increased to 2 itime 962982 + acceleration/energy drift too large 2.82987203862736 + 11.7440458452996 split increased to 2 itime 918684 itsplit 1 - acceleration/energy drift too large 3.83535497728311 - 10.9887896007083 split increased to 2 itime 962998 + acceleration/energy drift too large 3.00173322785880 + 25.0402825339256 split increased to 2 itime 919194 itsplit 1 - acceleration/energy drift too large 2.05005736932341 - 11.5738328241628 split increased to 2 itime 963040 + acceleration/energy drift too large 2.99244821271598 + 11.0034601559579 split increased to 2 itime 919201 itsplit 1 - acceleration/energy drift too large 3.41430820574516 - 10.4186461791752 split increased to 2 itime 963531 + acceleration/energy drift too large 6.02766240115596 + 14.8292955735467 split increased to 2 itime 919207 itsplit 1 - acceleration/energy drift too large 3.30147796988413 - 12.6161424537020 split increased to 2 itime 963973 + acceleration/energy drift too large 3.63575502704983 + 11.6958101490394 split increased to 2 itime 919269 itsplit 1 - acceleration/energy drift too large 2.22865457728983 - 11.7879794116842 split increased to 2 itime 965816 + acceleration/energy drift too large 9.55824968091900 + 45.0413460650973 split increased to 2 itime 922102 itsplit 1 - acceleration/energy drift too large 2.55782026615760 - 11.8343337239808 split increased to 2 itime 965823 + acceleration/energy drift too large 5.50561610467060 + 12.6180871997014 split increased to 2 itime 923657 itsplit 1 - acceleration/energy drift too large 4.84338277650784 - 11.6605385158149 split increased to 2 itime 966604 + acceleration/energy drift too large 3.67059804217777 + 10.6979141333425 split increased to 2 itime 926714 itsplit 1 - acceleration/energy drift too large 4.64082845912964 - 18.5574543760521 split increased to 2 itime 967752 + acceleration/energy drift too large 2.87037855157929 + 11.0114182279410 split increased to 2 itime 926960 itsplit 1 - acceleration/energy drift too large 5.42513724717896 - 15.6169787496472 split increased to 2 itime 968137 + acceleration/energy drift too large 3.83599108776069 + 10.6136638404860 split increased to 2 itime 926966 itsplit 1 - acceleration/energy drift too large 3.20713331812597 - 11.0249577903799 split increased to 2 itime 969259 + acceleration/energy drift too large 3.87514699109772 + 11.0254533115330 split increased to 2 itime 926970 itsplit 1 - acceleration/energy drift too large 10.2488922477047 - 51.1617106475574 split increased to 2 itime 972063 + acceleration/energy drift too large 3.06859856212539 + 12.6944728423738 split increased to 2 itime 926972 itsplit 1 - acceleration/energy drift too large 4.55227006439797 - 14.6621376387094 split increased to 2 itime 973887 + acceleration/energy drift too large 3.46351253852467 + 10.2494671797253 split increased to 2 itime 926973 itsplit 1 - acceleration/energy drift too large 5.79576004251907 - 10.3245668021406 split increased to 2 itime 973997 + acceleration/energy drift too large 3.41444583137636 + 10.5729581975494 split increased to 2 itime 926976 itsplit 1 - acceleration/energy drift too large 5.46864502256276 - 11.2835176046246 split increased to 2 itime 974894 + acceleration/energy drift too large 5.21210460392176 + 13.1796326048392 split increased to 2 itime 926978 itsplit 1 - acceleration/energy drift too large 3.82748289729853 - 14.8961586863026 split increased to 2 itime 974895 + acceleration/energy drift too large 3.65983122892536 + 26.9572238171532 split increased to 2 itime 926979 itsplit 1 - acceleration/energy drift too large 2.24583373569801 - 10.1235734121834 split increased to 2 itime 975129 + acceleration/energy drift too large 2.47157881740424 + 10.2678318520229 split increased to 2 itime 926981 itsplit 1 - acceleration/energy drift too large 8.20787125800904 - 26.9269317401577 split increased to 2 itime 975502 + acceleration/energy drift too large 2.85645612421451 + 10.9145414840742 split increased to 2 itime 926990 itsplit 1 - acceleration/energy drift too large 3.97383169777160 - 15.8069500769206 split increased to 2 itime 975508 + acceleration/energy drift too large 3.15608449228603 + 13.0220703611050 split increased to 2 itime 926996 itsplit 1 - acceleration/energy drift too large 5.27863868887135 - 11.8628414616925 split increased to 2 itime 975765 + acceleration/energy drift too large 3.82571307812826 + 10.8922793852159 split increased to 2 itime 927000 itsplit 1 - acceleration/energy drift too large 2.52486758311415 - 12.0397478927813 split increased to 2 itime 975821 + acceleration/energy drift too large 2.27942364753828 + 13.7694575846206 split increased to 2 itime 927008 itsplit 1 - acceleration/energy drift too large 3.94825550639467 - 11.6884111118321 split increased to 2 itime 975826 + acceleration/energy drift too large 3.09016258161837 + 16.5599521943510 split increased to 2 itime 927009 itsplit 1 - acceleration/energy drift too large 4.42558661268700 - 18.5132758329079 split increased to 2 itime 977032 + acceleration/energy drift too large 3.18421294728376 + 10.0454781191284 split increased to 2 itime 927015 itsplit 1 - acceleration/energy drift too large 3.29614207087839 - 12.0045314129445 split increased to 2 itime 978069 + acceleration/energy drift too large 2.70969727357187 + 15.5925461600440 split increased to 2 itime 927018 itsplit 1 - acceleration/energy drift too large 3.47890541763180 - 11.1434369573966 split increased to 2 itime 978098 + acceleration/energy drift too large 2.88282001617242 + 14.1283319381754 split increased to 2 itime 927019 itsplit 1 - acceleration/energy drift too large 6.55259268269142 - 30.8370102170399 split increased to 2 itime 978602 + acceleration/energy drift too large 3.45495914637524 + 10.2673275171171 split increased to 2 itime 927034 itsplit 1 - acceleration/energy drift too large 2.94019769238794 - 10.1429174242077 split increased to 2 itime 979570 + acceleration/energy drift too large 2.50607075740897 + 10.9243714819508 split increased to 2 itime 927083 itsplit 1 - acceleration/energy drift too large 5.90574632060437 - 22.9355639323596 split increased to 2 itime 979722 + acceleration/energy drift too large 3.75318427236537 + 10.2977764810336 split increased to 2 itime 927178 itsplit 1 - acceleration/energy drift too large 2.73058838083181 - 10.3239075325505 split increased to 2 itime 980215 + acceleration/energy drift too large 2.71375807232855 + 17.9366836908205 split increased to 2 itime 927179 itsplit 1 - acceleration/energy drift too large 3.58505527635360 - 10.6673710400190 split increased to 2 itime 980284 + acceleration/energy drift too large 3.69770394815231 + 12.1854056584926 split increased to 2 itime 927196 itsplit 1 - acceleration/energy drift too large 7.03288997449475 - 36.1844328451115 split increased to 2 itime 980409 + acceleration/energy drift too large 1.99682977481860 + 14.1522017669013 split increased to 2 itime 927202 itsplit 1 - acceleration/energy drift too large 5.21164852666080 - 30.6486759594224 split increased to 2 itime 981759 + acceleration/energy drift too large 5.54698662007708 + 10.3967947650435 split increased to 2 itime 927206 itsplit 1 - acceleration/energy drift too large 5.36080237136695 - 12.2103086903814 split increased to 2 itime 982775 + acceleration/energy drift too large 2.70288862979091 + 12.3910446374871 split increased to 2 itime 927207 itsplit 1 - acceleration/energy drift too large 4.57893384842436 - 15.4567936435162 split increased to 2 itime 982887 + acceleration/energy drift too large 3.37223749022815 + 12.5286667840265 split increased to 2 itime 927214 itsplit 1 - acceleration/energy drift too large 2.06884256824741 - 13.0885150320346 split increased to 2 itime 983184 + acceleration/energy drift too large 3.55972287078091 + 12.2018193165741 split increased to 2 itime 927235 itsplit 1 - acceleration/energy drift too large 7.62805236934620 - 24.6153125398548 split increased to 2 itime 983465 + acceleration/energy drift too large 2.76073460283047 + 10.1915918099292 split increased to 2 itime 927284 itsplit 1 - acceleration/energy drift too large 5.55554314126233 - 35.8105646676478 split increased to 2 itime 983478 + acceleration/energy drift too large 4.05274610413843 + 10.0991188694881 split increased to 2 itime 933738 itsplit 1 - acceleration/energy drift too large 3.71941446628352 - 10.6607602772641 split increased to 2 itime 983479 + acceleration/energy drift too large 5.23977091259578 + 12.4834656884951 split increased to 2 itime 933995 itsplit 1 - acceleration/energy drift too large 4.68334213163411 - 23.6807500448967 split increased to 2 itime 983492 + acceleration/energy drift too large 3.25498406440961 + 10.3007320458467 split increased to 2 itime 938250 itsplit 1 - acceleration/energy drift too large 4.49771787303815 - 11.8986687315346 split increased to 2 itime 983870 + acceleration/energy drift too large 2.94304604625915 + 12.2444726278912 split increased to 2 itime 938253 itsplit 1 - acceleration/energy drift too large 3.53416897872721 - 12.0662969455353 split increased to 2 itime 984005 + acceleration/energy drift too large 2.05798405881767 + 11.5002360879095 split increased to 2 itime 938328 itsplit 1 - acceleration/energy drift too large 7.50040157925854 - 33.9637754075882 split increased to 2 itime 984064 + acceleration/energy drift too large 3.44964489780285 + 24.1476988477790 split increased to 2 itime 939850 itsplit 1 - acceleration/energy drift too large 6.76739633076494 - 11.5881989924572 split increased to 2 itime 984474 + acceleration/energy drift too large 6.78885229817901 + 16.5900023799422 split increased to 2 itime 943471 itsplit 1 - acceleration/energy drift too large 5.83730629901757 - 34.8697292829203 split increased to 2 itime 984601 + acceleration/energy drift too large 5.82678507210135 + 24.6340779037091 split increased to 2 itime 944680 itsplit 1 - acceleration/energy drift too large 2.85894760292279 - 12.1272024733112 split increased to 2 itime 985458 + acceleration/energy drift too large 5.18940440922303 + 12.7007904037800 split increased to 2 itime 945498 itsplit 1 - acceleration/energy drift too large 4.16053886804174 - 10.8952614714032 split increased to 2 itime 986206 + acceleration/energy drift too large 5.35428437652620 + 11.7535133734239 split increased to 2 itime 950427 itsplit 1 - acceleration/energy drift too large 2.62650039395365 - 10.4790943792781 split increased to 2 itime 986258 + acceleration/energy drift too large 4.55162592862716 + 10.8719958973851 split increased to 2 itime 951077 itsplit 1 - acceleration/energy drift too large 3.41783660885226 - 13.9379720024929 split increased to 2 itime 986573 + acceleration/energy drift too large 6.38147579821281 + 25.5401187665015 split increased to 2 itime 951175 itsplit 1 - acceleration/energy drift too large 5.00402058314798 - 14.5425624069117 split increased to 2 itime 986896 + acceleration/energy drift too large 4.26729194647760 + 10.1537846942208 split increased to 2 itime 951259 itsplit 1 - acceleration/energy drift too large 2.54682746581876 - 11.4881415595367 split increased to 2 itime 986897 + acceleration/energy drift too large 4.76878350078769 + 11.6116472107122 split increased to 2 itime 951754 itsplit 1 - acceleration/energy drift too large 2.56483516846129 - 11.9751650710013 split increased to 2 itime 987003 + acceleration/energy drift too large 8.77958285185338 + 30.4534713706681 split increased to 2 itime 952778 itsplit 1 - acceleration/energy drift too large 3.24258291378299 - 11.0498770434785 split increased to 2 itime 987007 + acceleration/energy drift too large 3.56125187587214 + 10.3168465365286 split increased to 2 itime 953676 itsplit 1 - acceleration/energy drift too large 4.44801738824107 - 10.9817200839115 split increased to 2 itime 987933 + acceleration/energy drift too large 3.81612277478126 + 10.1488231153088 split increased to 2 itime 953683 itsplit 1 - acceleration/energy drift too large 6.47953793889234 - 16.8762767054426 split increased to 2 itime 987939 + acceleration/energy drift too large 3.33931536850662 + 10.5224166868613 split increased to 2 itime 954051 itsplit 1 - acceleration/energy drift too large 2.74131846282361 - 11.9739061953253 split increased to 2 itime 987940 + acceleration/energy drift too large 5.39546570956672 + 10.2259661090390 split increased to 2 itime 954168 itsplit 1 - acceleration/energy drift too large 5.21884756257283 - 16.0146323195793 split increased to 2 itime 988156 + acceleration/energy drift too large 5.01868309144268 + 12.2560169529860 split increased to 2 itime 954247 itsplit 1 - acceleration/energy drift too large 6.98303064757951 - 52.5269086138375 split increased to 2 itime 988653 + acceleration/energy drift too large 2.88496402964613 + 10.3921477842572 split increased to 2 itime 954789 itsplit 1 - acceleration/energy drift too large 7.44371664691160 - 17.1999209717626 split increased to 2 itime 988717 + acceleration/energy drift too large 2.54908704555533 + 10.5976018513555 split increased to 2 itime 954818 itsplit 1 - acceleration/energy drift too large 3.41518530570218 - 11.7230712241242 split increased to 2 itime 989243 + acceleration/energy drift too large 2.98289557057861 + 10.6346457535264 split increased to 2 itime 954825 itsplit 1 - acceleration/energy drift too large 4.86997826218766 - 23.7042923467332 split increased to 2 itime 989645 + acceleration/energy drift too large 3.31385324987540 + 10.6927502609962 split increased to 2 itime 956021 itsplit 1 - acceleration/energy drift too large 6.56861396867082 - 16.3197831423529 split increased to 2 itime 989687 + acceleration/energy drift too large 5.82454924506218 + 10.3506060040066 split increased to 2 itime 958958 itsplit 1 - acceleration/energy drift too large 3.47814528665630 - 10.1964822142602 split increased to 2 itime 989802 + acceleration/energy drift too large 7.90187303128310 + 24.0423129854359 split increased to 2 itime 959066 itsplit 1 - acceleration/energy drift too large 5.83205218997564 - 31.6207589582694 split increased to 2 itime 990836 + acceleration/energy drift too large 4.84078628479393 + 10.8721029701479 split increased to 2 itime 959950 itsplit 1 - acceleration/energy drift too large 10.1525046370308 - 40.5206722200691 split increased to 2 itime 991054 + acceleration/energy drift too large 5.38140146381624 + 12.0821188629450 split increased to 2 itime 960750 itsplit 1 - acceleration/energy drift too large 4.70385478390376 - 21.4641406840745 split increased to 2 itime 991080 + acceleration/energy drift too large 2.45200560225983 + 12.2138919788738 split increased to 2 itime 963598 itsplit 1 - acceleration/energy drift too large 7.05811533646673 - 45.6207028602283 split increased to 2 itime 991097 + acceleration/energy drift too large 4.80829251553583 + 18.0786950351927 split increased to 2 itime 964756 itsplit 1 - acceleration/energy drift too large 5.88995059991438 - 10.4593199435289 split increased to 2 itime 991730 + acceleration/energy drift too large 1.92684696104599 + 14.3225498468162 split increased to 2 itime 965005 itsplit 1 - acceleration/energy drift too large 4.79904589349359 - 15.2433834267384 split increased to 2 itime 991851 + acceleration/energy drift too large 3.38051856673097 + 13.5164443579456 split increased to 2 itime 966501 itsplit 1 - acceleration/energy drift too large 6.03164547020882 - 25.6011054229065 split increased to 2 itime 992147 + acceleration/energy drift too large 5.02392232851096 + 18.2014384280205 split increased to 2 itime 968651 itsplit 1 - acceleration/energy drift too large 4.27944235575244 - 13.4118808691173 split increased to 2 itime 992624 + acceleration/energy drift too large 10.8939133147482 + 37.9792756831615 split increased to 2 itime 969921 itsplit 1 - acceleration/energy drift too large 3.79611835588981 - 10.8014395272193 split increased to 2 itime 993601 + acceleration/energy drift too large 6.25537857545006 + 15.7930940357674 split increased to 2 itime 973435 itsplit 1 - acceleration/energy drift too large 9.81593007379842 - 43.8211427883116 split increased to 2 itime 993687 + acceleration/energy drift too large 4.95303977839136 + 10.3895854620251 split increased to 2 itime 975524 itsplit 1 - acceleration/energy drift too large 5.12745320161781 - 12.7998418418219 split increased to 2 itime 993764 + acceleration/energy drift too large 4.43505836691903 + 12.4499447625922 split increased to 2 itime 976936 itsplit 1 - acceleration/energy drift too large 4.98228140049519 - 28.3171900114535 split increased to 2 itime 994336 + acceleration/energy drift too large 2.22395266345729 + 10.3183961405875 split increased to 2 itime 977785 itsplit 1 - acceleration/energy drift too large 8.93613981531363 - 42.0336053180690 split increased to 2 itime 994388 + acceleration/energy drift too large 7.38517455742916 + 13.7375899126670 split increased to 2 itime 979097 itsplit 1 - acceleration/energy drift too large 3.79687233558780 - 10.2014508288714 split increased to 2 itime 994398 + acceleration/energy drift too large 5.42766800882002 + 11.3746794397026 split increased to 2 itime 979138 itsplit 1 - acceleration/energy drift too large 4.63745639936406 - 12.3600092318219 split increased to 2 itime 994792 + acceleration/energy drift too large 4.69477900799110 + 13.9855929730825 split increased to 2 itime 980937 itsplit 1 - acceleration/energy drift too large 4.34735930023412 - 11.2522827957382 split increased to 2 itime 995328 + acceleration/energy drift too large 4.56709827410279 + 12.2866018672929 split increased to 2 itime 981082 itsplit 1 - acceleration/energy drift too large 5.55778162158401 - 36.1723208783007 split increased to 2 itime 995393 + acceleration/energy drift too large 4.22843662737844 + 15.9986236576054 split increased to 2 itime 983446 itsplit 1 - acceleration/energy drift too large 2.34929096586190 - 14.0106400485427 split increased to 2 itime 996349 + acceleration/energy drift too large 7.28503729750069 + 28.0900437565608 split increased to 2 itime 988502 itsplit 1 - acceleration/energy drift too large 3.40259633126558 - 14.5501924551923 split increased to 2 itime 996414 + acceleration/energy drift too large 3.09892815129042 + 13.1677379200501 split increased to 2 itime 989161 itsplit 1 - acceleration/energy drift too large 4.72936963932838 - 26.0105105100737 split increased to 2 itime 996694 + acceleration/energy drift too large 5.02723350945619 + 14.2627980639176 split increased to 2 itime 990132 itsplit 1 - acceleration/energy drift too large 2.21955470692259 - 12.3022724913458 split increased to 2 itime 997034 + acceleration/energy drift too large 3.62203937128740 + 20.0320284014358 split increased to 2 itime 990751 itsplit 1 - acceleration/energy drift too large 3.39880195626370 - 12.1395913429617 split increased to 2 itime 997485 + acceleration/energy drift too large 4.42295413564357 + 10.6714381752827 split increased to 2 itime 992731 itsplit 1 - acceleration/energy drift too large 3.81575568091670 - 17.9836623913959 split increased to 2 itime 997594 + acceleration/energy drift too large 7.57497282303292 + 17.6580167906195 split increased to 2 itime 993382 itsplit 1 - acceleration/energy drift too large 4.22657043037710 - 14.1146354103959 split increased to 2 itime 997810 + acceleration/energy drift too large 3.78003912651920 + 10.2318302682778 split increased to 2 itime 994149 itsplit 1 - acceleration/energy drift too large 3.82768911597785 - 10.5813534813134 split increased to 2 itime 997839 + acceleration/energy drift too large 1.70558181148873 + 11.2124394008163 split increased to 2 itime 996592 itsplit 1 - acceleration/energy drift too large 3.70661799958021 - 11.6939790119966 split increased to 2 itime 997848 + acceleration/energy drift too large 1.98152789335267 + 10.0315596865563 split increased to 2 itime 998563 itsplit 1 - acceleration/energy drift too large 6.19065081685500 - 20.2550466542341 split increased to 2 itime 998558 + acceleration/energy drift too large 3.31628517915314 + 23.0713856251341 split increased to 2 itime 999178 itsplit 1 - acceleration/energy drift too large 5.61815481700118 - 23.2173197973107 split increased to 2 itime 998728 + acceleration/energy drift too large 7.41509555887398 + 28.0813685506388 split increased to 2 itime 999369 itsplit 1 REMD synchro at 1000000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 writing restart at the end of run =================================== Timing =================================== - MD calculations setup: 3.90625E-03 - Energy & gradient evaluation: 3.80934E+02 + MD calculations setup: 1.56250E-02 + Energy & gradient evaluation: 3.36891E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.65398E+02 + MD steps: 3.96145E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 465.425781250000 sec + Total wall clock time 396.207031250000 sec