X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_gab%2F1L2Y_REMD.out_GB000;h=b9420a00c1c87ddd73173703c1b76999094de355;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=38df490a37f591c833f2f3016f372cd850d3e6fb;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD.out_GB000 index 38df490..b9420a0 100644 --- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD.out_GB000 +++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD.out_GB000 @@ -5,50 +5,53 @@ Output file : 1L2Y_REMD.out_GB000 Sidechain potential file : - /users/czarek/UNRES/export_v3/PARAM/scinter_GB.parm - SCp potential file : /users/czarek/UNRES/export_v3/PARAM/scp.parm + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga + p8g-sc + SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : - /users/czarek/UNRES/export_v3/PARAM/electr_631Gdp.parm + /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm Cumulant coefficient file : - /users/czarek/UNRES/export_v3/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 Torsional parameter file : - /users/czarek/UNRES/export_v3/PARAM/torsion_631Gdp.parm + /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm Double torsional parameter file : - /users/czarek/UNRES/export_v3/PARAM/torsion_double_631Gdp.parm - SCCOR parameter file : /users/czarek/UNRES/export_v3/PARAM/rotcorr_AM1.parm - Bond & inertia constant file : /users/czarek/UNRES/export_v3/PARAM/bond.parm + /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat + Bond & inertia constant file : /users/pk376/unres-git/unres/PARAM/bond.parm Bending parameter file : - /users/czarek/UNRES/export_v3/PARAM/thetaml.5parm + /users/pk376/unres-git/unres/PARAM/thetaml.5parm Rotamer parameter file : - /users/czarek/UNRES/export_v3/PARAM/scgauss.parm + /users/pk376/unres-git/unres/PARAM/scgauss.parm Threading database : - /users/czarek/UNRES/export_v3/PARAM/patterns.cart + /users/pk376/unres-git/unres/PARAM/patterns.cart -------------------------------------------------------------------------------- ******************************************************************************** United-residue force field calculation - parallel job. ******************************************************************************** - ### LAST MODIFIED 04/08/11 11:00AM by czarek + ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 36 - compiled Thu Dec 1 05:12:23 2011 - compiled by czarek@matrix.chem.cornell.edu + 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: 2.6.34.8-68.fc13.x86_64 - OS version: #1 SMP Thu Feb 17 15:03:58 UTC 2011 + OS release: 2.6.34.9-69.fc13.x86_64 + OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 flags: - CPPFLAGS = -DCRYST_BOND -DCRYST_THETA -DCRYST_S... INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -O3 -ip -w + 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 ... - BIN = ../bin/unres_120111_mpich1_oldparm.exe 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... ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -58,8 +61,9 @@ S-S bridge energy: -5.50 d0cm: 3.78 akcm: 15.10 akth: 11.00 akct: 12.00 v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 - MPI: node= 0 iseed= -3059742 - ran_num 0.273754117333397 + MPI: node= 0 iseed(4)= 0 0 -46 + -45086 + ran_num 6.422640197456531E-013 RMSDBC = 3.0 RMSDBC1 = 0.5 RMSDBC1MAX = 1.5 @@ -325,7 +329,7 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 16 time before 1.562500000000000E-002 + MREMD 16 time before 2.343750000000000E-002 NREP= 16 i2rep 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 @@ -369,32 +373,32 @@ ndowna 16: 15 ====================MD calculation start==================== Initial velocities randomly generated Initial velocities - 0 0.12886 0.05495 0.00594 0.00000 0.00000 0.00000 + 0 0.02069 0.05735 -0.16550 0.00000 0.00000 0.00000 1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 -0.15678 -0.01140 -0.13996 -0.01907 -0.05287 -0.09020 - 3 0.13945 0.00982 0.14258 -0.00794 -0.01506 0.13649 - 4 0.08867 0.20048 -0.00070 -0.12014 0.00095 -0.12042 - 5 -0.26468 -0.26163 -0.04016 -0.18982 -0.08866 0.05577 - 6 0.02379 -0.08578 0.00111 0.01956 0.02164 0.06186 - 7 0.12819 0.09785 0.10098 0.02754 0.11147 0.13591 - 8 -0.14509 0.04829 -0.04514 -0.08097 -0.05546 0.05046 - 9 0.00076 -0.06136 -0.11724 0.10533 -0.04728 -0.13041 - 10 0.26677 -0.07152 0.11926 0.06679 0.00076 0.10353 - 11 -0.37573 0.13788 -0.01625 0.00000 0.00000 0.00000 - 12 0.25693 -0.01210 0.07525 0.00000 0.00000 0.00000 - 13 -0.30693 0.08532 -0.09866 -0.02731 0.02783 -0.12092 - 14 0.37412 0.00837 -0.02785 0.22008 -0.17506 -0.02567 - 15 -0.12997 -0.03897 0.10342 -0.05840 -0.13283 -0.09576 - 16 -0.10187 -0.01487 0.01414 0.00000 0.00000 0.00000 - 17 0.07953 -0.04324 0.04216 0.02274 -0.12698 -0.03734 - 18 -0.15697 -0.13183 -0.12179 0.12163 -0.01552 -0.05818 - 19 0.12232 0.08896 -0.00534 0.01069 0.09294 -0.02183 - 20 -0.07573 -0.15222 0.15039 0.06752 -0.08884 -0.20281 - 21 0.00000 0.00000 0.00000 0.05227 0.09999 -0.05798 + 2 -0.32876 -0.20726 -0.00156 -0.06303 -0.02233 0.22619 + 3 0.25246 0.18847 0.12917 0.23917 0.13789 0.08528 + 4 0.09890 -0.10900 0.13430 0.09430 -0.08759 0.02991 + 5 0.05293 -0.08192 0.07599 0.03541 0.02418 -0.13426 + 6 0.01106 0.15012 -0.13429 -0.01486 0.10588 -0.15072 + 7 -0.00922 -0.05032 0.03343 -0.17306 0.05869 0.04136 + 8 -0.01642 0.12268 -0.04117 0.02116 0.09728 0.03398 + 9 -0.24153 -0.01761 0.08700 -0.20570 -0.15587 -0.04194 + 10 0.12837 -0.05524 -0.16763 0.18636 -0.14195 -0.15819 + 11 -0.12912 0.12012 -0.00669 0.00000 0.00000 0.00000 + 12 0.18024 -0.22147 0.01606 0.00000 0.00000 0.00000 + 13 -0.13972 0.25567 0.06619 0.05987 0.13532 0.09181 + 14 0.10136 -0.29158 0.14318 -0.02692 -0.08844 0.04927 + 15 0.13268 0.09441 -0.21684 -0.12710 0.07259 0.06988 + 16 -0.10926 0.13472 0.13695 0.00000 0.00000 0.00000 + 17 -0.08222 -0.14474 -0.18471 -0.07262 -0.07774 -0.09353 + 18 0.22036 0.08274 0.12819 -0.01893 0.09330 0.04480 + 19 -0.13103 -0.06596 -0.26603 -0.11327 -0.06258 -0.02718 + 20 0.26050 0.08237 0.51647 0.02143 0.14877 0.17591 + 21 0.00000 0.00000 0.00000 -0.12529 -0.05874 -0.20044 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - -1.398625787343875E-017 -2.031580523222126E-017 -5.717010517610002E-018 + 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 alpha-carbon coordinates centroid coordinates @@ -450,7 +454,7 @@ D 22 3.800 90.000 180.000 0.000 180.000 180.000 Virtual-chain energies: -EVDW= -1.947821E+01 WEIGHT= 1.352790D+00 (SC-SC) +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) @@ -459,7 +463,7 @@ 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) -EHBP= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) +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) @@ -471,1123 +475,5479 @@ ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+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= 2.138049E+01 (total) +ETOT= 2.499553E+01 (total) Initial: - Kinetic energy 2.17187E+01 - potential energy 2.13805E+01 - total energy 4.30992E+01 + Kinetic energy 2.63515E+01 + potential energy 2.49955E+01 + total energy 5.13470E+01 - maximum acceleration 9.38160E-01 + maximum acceleration 7.10627E-01 - Setup time 2.343750000000000E-002 + Setup time 2.734375000000000E-002 + acceleration/energy drift too large 8.26334384637421 + 26.7750041557367 split increased to 2 itime 719 + itsplit 1 + acceleration/energy drift too large 4.61869349236768 + 11.5940884147131 split increased to 2 itime 724 + itsplit 1 + acceleration/energy drift too large 2.88576319612688 + 10.0025926580557 split increased to 2 itime 792 + itsplit 1 + acceleration/energy drift too large 5.10759683559973 + 25.3079609183639 split increased to 2 itime 3382 + itsplit 1 + acceleration/energy drift too large 2.90692413684614 + 21.9440903067037 split increased to 2 itime 3974 + itsplit 1 + acceleration/energy drift too large 8.14549314472849 + 30.3388519180544 split increased to 2 itime 4484 + itsplit 1 + acceleration/energy drift too large 5.07631645279015 + 30.2063670557820 split increased to 2 itime 4604 + itsplit 1 + acceleration/energy drift too large 11.5987028347798 + 48.6460600947056 split increased to 2 itime 4697 + 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 + itsplit 1 + acceleration/energy drift too large 6.38932592483277 + 22.0569805922871 split increased to 2 itime 5128 + itsplit 1 + acceleration/energy drift too large 6.30278336386210 + 16.0033535111208 split increased to 2 itime 5410 + itsplit 1 + acceleration/energy drift too large 6.61753175822789 + 13.7712700686941 split increased to 2 itime 6768 + itsplit 1 + acceleration/energy drift too large 3.37029049581790 + 12.4641624365663 split increased to 2 itime 6965 + itsplit 1 + acceleration/energy drift too large 7.04725995500587 + 23.6005304144775 split increased to 2 itime 7115 + itsplit 1 + acceleration/energy drift too large 2.31738192585043 + 10.0124025188188 split increased to 2 itime 7208 + itsplit 1 + acceleration/energy drift too large 5.48971569151628 + 37.5818416518357 split increased to 2 itime 8589 + itsplit 1 + acceleration/energy drift too large 4.02343135233133 + 14.0475755909893 split increased to 2 itime 8811 + itsplit 1 + acceleration/energy drift too large 4.84526479075250 + 32.3550694177225 split increased to 2 itime 8869 + itsplit 1 + acceleration/energy drift too large 7.20091197705991 + 18.7496668928797 split increased to 2 itime 9735 + itsplit 1 + acceleration/energy drift too large 2.19319531147200 + 16.1563778365408 split increased to 2 itime 10635 + itsplit 1 + acceleration/energy drift too large 3.19824717418546 + 10.0028967513894 split increased to 2 itime 10998 + itsplit 1 + acceleration/energy drift too large 3.34825712937002 + 11.1594771354202 split increased to 2 itime 11002 + itsplit 1 + acceleration/energy drift too large 4.10413204548455 + 10.1591751402532 split increased to 2 itime 11014 + itsplit 1 + acceleration/energy drift too large 7.27893808484307 + 19.3206237242882 split increased to 2 itime 11221 + itsplit 1 + acceleration/energy drift too large 3.84370905023851 + 13.2448377005877 split increased to 2 itime 11372 + itsplit 1 + acceleration/energy drift too large 7.87266245617727 + 15.8254254651018 split increased to 2 itime 11779 + itsplit 1 + acceleration/energy drift too large 3.07075432401339 + 16.5692649375406 split increased to 2 itime 12430 + itsplit 1 + acceleration/energy drift too large 3.36049632733531 + 19.3047104938715 split increased to 2 itime 12757 + itsplit 1 + acceleration/energy drift too large 5.60381185909200 + 18.6477351478962 split increased to 2 itime 12946 + itsplit 1 + acceleration/energy drift too large 1.54984928195195 + 10.2125344770836 split increased to 2 itime 13078 + itsplit 1 + acceleration/energy drift too large 2.29472482371803 + 11.7631152409337 split increased to 2 itime 14399 + itsplit 1 + acceleration/energy drift too large 4.64899892559597 + 26.0288302088623 split increased to 2 itime 16030 + itsplit 1 + acceleration/energy drift too large 2.86579135507228 + 10.0249595392576 split increased to 2 itime 16741 + itsplit 1 + acceleration/energy drift too large 4.79733365314638 + 20.9304044141132 split increased to 2 itime 16779 + itsplit 1 + acceleration/energy drift too large 5.11072548409924 + 33.4643407870369 split increased to 2 itime 16945 + itsplit 1 + acceleration/energy drift too large 7.39790118073690 + 19.3339247708666 split increased to 2 itime 17829 + itsplit 1 + acceleration/energy drift too large 5.74124464804356 + 21.6613363796507 split increased to 2 itime 19069 + itsplit 1 + acceleration/energy drift too large 2.68617334940497 + 14.5761142155794 split increased to 2 itime 19507 + itsplit 1 + acceleration/energy drift too large 3.26772102126463 + 10.2871167284916 split increased to 2 itime 19870 + itsplit 1 + acceleration/energy drift too large 3.16331380819689 + 11.5063938877650 split increased to 2 itime 19942 + itsplit 1 + acceleration/energy drift too large 5.20323962762652 + 17.1695181357142 split increased to 2 itime 20270 + itsplit 1 + acceleration/energy drift too large 15.2873752399313 + 84.5846816992344 split increased to 2 itime 20276 + itsplit 1 + acceleration/energy drift too large 7.16001686299731 + 22.3955892836373 split increased to 2 itime 20336 + itsplit 1 + acceleration/energy drift too large 5.86989661254096 + 19.0474532269753 split increased to 2 itime 20634 + itsplit 1 + acceleration/energy drift too large 4.34435398222800 + 16.3468269714644 split increased to 2 itime 20764 + itsplit 1 + acceleration/energy drift too large 4.96825645964055 + 14.9694726571255 split increased to 2 itime 21808 + itsplit 1 + acceleration/energy drift too large 7.77975700537938 + 33.9618870135372 split increased to 2 itime 23360 + itsplit 1 + acceleration/energy drift too large 3.74670074824093 + 10.0537930648378 split increased to 2 itime 23979 + itsplit 1 + acceleration/energy drift too large 3.01681624062663 + 10.6180469919115 split increased to 2 itime 24290 + itsplit 1 + acceleration/energy drift too large 4.20163218807467 + 10.4333728953428 split increased to 2 itime 24661 + itsplit 1 + acceleration/energy drift too large 3.14106142774949 + 10.0363276570512 split increased to 2 itime 25251 + itsplit 1 + acceleration/energy drift too large 3.07096828675019 + 10.2044751439592 split increased to 2 itime 25434 + itsplit 1 + acceleration/energy drift too large 21.9910863425765 + 153.524454726087 split increased to 2 itime 25810 + itsplit 1 + acceleration/energy drift too large 3.48219338729091 + 12.6544384392749 split increased to 2 itime 26722 + itsplit 1 + acceleration/energy drift too large 2.91437522960170 + 11.6071049142778 split increased to 2 itime 26756 + itsplit 1 + acceleration/energy drift too large 5.25853260740836 + 12.3572773566583 split increased to 2 itime 27842 + itsplit 1 + acceleration/energy drift too large 5.60991619895774 + 12.5738626275850 split increased to 2 itime 27847 + itsplit 1 + acceleration/energy drift too large 3.86997890833284 + 11.8757564018147 split increased to 2 itime 29211 + itsplit 1 + acceleration/energy drift too large 3.97115744865603 + 11.3453629412571 split increased to 2 itime 30021 + itsplit 1 + acceleration/energy drift too large 5.36692949498821 + 13.3046224291952 split increased to 2 itime 30032 + itsplit 1 + acceleration/energy drift too large 3.38812310875308 + 11.9502290673888 split increased to 2 itime 30110 + itsplit 1 + acceleration/energy drift too large 6.24236999428264 + 12.5572165235265 split increased to 2 itime 30738 + itsplit 1 + acceleration/energy drift too large 4.57919270241505 + 26.0086243068041 split increased to 2 itime 31165 + itsplit 1 + acceleration/energy drift too large 4.81066264104271 + 22.5142770441446 split increased to 2 itime 32662 + itsplit 1 + acceleration/energy drift too large 2.88193637074247 + 10.6033805573380 split increased to 2 itime 32675 + itsplit 1 + acceleration/energy drift too large 5.33208938530336 + 10.3235535987134 split increased to 2 itime 32745 + itsplit 1 + acceleration/energy drift too large 6.96691037205768 + 17.6294318750729 split increased to 2 itime 32938 + itsplit 1 + acceleration/energy drift too large 4.99228862615127 + 26.5198613525872 split increased to 2 itime 32978 + itsplit 1 + acceleration/energy drift too large 5.35080896964098 + 16.3519564462600 split increased to 2 itime 33077 + itsplit 1 + acceleration/energy drift too large 2.59964162501218 + 10.6111567483417 split increased to 2 itime 33155 + itsplit 1 + acceleration/energy drift too large 2.46891631802749 + 11.4929951312212 split increased to 2 itime 35973 + itsplit 1 + acceleration/energy drift too large 5.62893266528692 + 20.0750661230255 split increased to 2 itime 37012 + itsplit 1 + acceleration/energy drift too large 3.00970907097162 + 10.4160856752064 split increased to 2 itime 37811 + itsplit 1 + acceleration/energy drift too large 5.96013816785022 + 31.3499257999342 split increased to 2 itime 38244 + itsplit 1 + acceleration/energy drift too large 17.0266582803678 + 101.545962094238 split increased to 2 itime 38252 + itsplit 1 + acceleration/energy drift too large 2.59418767821969 + 15.3654846348293 split increased to 2 itime 38253 + itsplit 1 + acceleration/energy drift too large 4.96708828965584 + 11.4230586432237 split increased to 2 itime 38667 + itsplit 1 + acceleration/energy drift too large 6.46887182036707 + 33.7652642425329 split increased to 2 itime 39967 + itsplit 1 + acceleration/energy drift too large 4.22646390186154 + 12.1679566048607 split increased to 2 itime 40366 + itsplit 1 + acceleration/energy drift too large 2.80326700677473 + 13.4270647185819 split increased to 2 itime 40660 + itsplit 1 + acceleration/energy drift too large 4.89400137251626 + 29.3575529980383 split increased to 2 itime 40882 + itsplit 1 + acceleration/energy drift too large 2.93851292201581 + 10.0937796199883 split increased to 2 itime 40926 + itsplit 1 + acceleration/energy drift too large 7.45627456584421 + 18.1339817054322 split increased to 2 itime 44347 + itsplit 1 + acceleration/energy drift too large 6.33910321811285 + 23.6356049851875 split increased to 2 itime 47792 + itsplit 1 + acceleration/energy drift too large 10.2699380292030 + 64.7419306596570 split increased to 2 itime 47912 + itsplit 1 + acceleration/energy drift too large 4.90847622509243 + 19.2777904160953 split increased to 2 itime 49411 + itsplit 1 + acceleration/energy drift too large 4.67945629667793 + 10.8751176344442 split increased to 2 itime 50301 + itsplit 1 + acceleration/energy drift too large 3.71793502447027 + 10.1359910658172 split increased to 2 itime 50306 + itsplit 1 + acceleration/energy drift too large 6.96094772655256 + 35.3922676839770 split increased to 2 itime 50620 + itsplit 1 + acceleration/energy drift too large 3.67545086992960 + 20.8783966205385 split increased to 2 itime 50621 + itsplit 1 + acceleration/energy drift too large 2.98308446635235 + 10.0246272771143 split increased to 2 itime 51678 + itsplit 1 + acceleration/energy drift too large 2.73752309018835 + 10.2177838973972 split increased to 2 itime 52044 + itsplit 1 + acceleration/energy drift too large 2.16135244343742 + 11.9394205886957 split increased to 2 itime 52049 + itsplit 1 + acceleration/energy drift too large 5.55939174065976 + 42.7504962536516 split increased to 2 itime 53275 + itsplit 1 + acceleration/energy drift too large 8.31602257994133 + 27.0204632403143 split increased to 2 itime 53279 + itsplit 1 + acceleration/energy drift too large 5.12993728456870 + 29.7101491669279 split increased to 2 itime 54377 + itsplit 1 + acceleration/energy drift too large 8.04268163105500 + 30.4173084908962 split increased to 2 itime 54529 + itsplit 1 + acceleration/energy drift too large 2.44655139350099 + 15.9372039127301 split increased to 2 itime 54992 + itsplit 1 + acceleration/energy drift too large 21.1616773235411 + 143.869680430404 split increased to 2 itime 55870 + itsplit 1 + acceleration/energy drift too large 5.14389275171951 + 31.8773135122805 split increased to 4 itime 55870 + itsplit 1 + acceleration/energy drift too large 2.35029000902736 + 10.9620626598902 split increased to 2 itime 58269 + itsplit 1 + acceleration/energy drift too large 3.20228378844777 + 10.3468642764988 split increased to 2 itime 58500 + itsplit 1 + acceleration/energy drift too large 4.65765807655101 + 14.8892026530080 split increased to 2 itime 59830 + itsplit 1 + acceleration/energy drift too large 3.59974977281701 + 13.1533925270847 split increased to 2 itime 60665 + itsplit 1 + acceleration/energy drift too large 2.78761896976678 + 10.0727991553736 split increased to 2 itime 60670 + itsplit 1 + acceleration/energy drift too large 5.65851202540563 + 17.7763467802020 split increased to 2 itime 60797 + itsplit 1 + acceleration/energy drift too large 2.96501917308459 + 11.7839219613644 split increased to 2 itime 61001 + itsplit 1 + acceleration/energy drift too large 2.60236041213474 + 11.0617063835897 split increased to 2 itime 61010 + itsplit 1 + acceleration/energy drift too large 1.95912690953350 + 10.8382893481673 split increased to 2 itime 61024 + itsplit 1 + acceleration/energy drift too large 5.06000461956855 + 16.8902696214017 split increased to 2 itime 61855 + itsplit 1 + acceleration/energy drift too large 4.67426255200319 + 12.3067339319547 split increased to 2 itime 62525 + itsplit 1 + acceleration/energy drift too large 3.95587620814648 + 10.7828950156177 split increased to 2 itime 62543 + itsplit 1 + acceleration/energy drift too large 3.22582181253650 + 10.3690991928743 split increased to 2 itime 62545 + itsplit 1 + acceleration/energy drift too large 3.22639837481331 + 12.8807587338880 split increased to 2 itime 62548 + itsplit 1 + acceleration/energy drift too large 4.37147441067814 + 11.4720078160626 split increased to 2 itime 62574 + itsplit 1 + acceleration/energy drift too large 3.99945626625168 + 10.9581149108782 split increased to 2 itime 62612 + itsplit 1 + acceleration/energy drift too large 7.48824369904477 + 26.4579712314119 split increased to 2 itime 64991 + itsplit 1 + acceleration/energy drift too large 4.33254126462293 + 11.6318764893047 split increased to 2 itime 65672 + itsplit 1 + acceleration/energy drift too large 6.43534547464478 + 10.6065447763553 split increased to 2 itime 66285 + itsplit 1 + acceleration/energy drift too large 4.37475016540298 + 10.3143491684647 split increased to 2 itime 66803 + itsplit 1 + acceleration/energy drift too large 7.60150589733684 + 21.1255122713026 split increased to 2 itime 66827 + itsplit 1 + acceleration/energy drift too large 4.18972172609408 + 13.2352448450752 split increased to 2 itime 66836 + itsplit 1 + acceleration/energy drift too large 4.80196437481776 + 11.7662514024430 split increased to 2 itime 69099 + itsplit 1 + acceleration/energy drift too large 8.12993272393778 + 33.5896586512979 split increased to 2 itime 70130 + itsplit 1 + acceleration/energy drift too large 6.79828180574594 + 17.6916462545189 split increased to 2 itime 71672 + itsplit 1 + acceleration/energy drift too large 3.58446858469148 + 12.9910010072897 split increased to 2 itime 71700 + itsplit 1 + acceleration/energy drift too large 4.15925752467195 + 10.8121264460828 split increased to 2 itime 71796 + itsplit 1 + acceleration/energy drift too large 4.03403006933524 + 12.5590105458999 split increased to 2 itime 72370 + itsplit 1 + acceleration/energy drift too large 3.56302927492159 + 10.1519133958251 split increased to 2 itime 72377 + itsplit 1 + acceleration/energy drift too large 3.98243580029397 + 14.1300835677455 split increased to 2 itime 73160 + itsplit 1 + acceleration/energy drift too large 9.21982307853412 + 41.0605624745216 split increased to 2 itime 75912 + itsplit 1 + acceleration/energy drift too large 2.64266772740519 + 10.8526143236911 split increased to 2 itime 75989 + itsplit 1 + acceleration/energy drift too large 9.54217090400911 + 42.1593526170105 split increased to 2 itime 76446 + itsplit 1 + acceleration/energy drift too large 6.99846898104689 + 20.1655479317440 split increased to 2 itime 76562 + itsplit 1 + acceleration/energy drift too large 5.29450424890453 + 16.5657068013606 split increased to 2 itime 79342 + itsplit 1 + acceleration/energy drift too large 3.86121343675949 + 10.5307125509861 split increased to 2 itime 79372 + itsplit 1 + acceleration/energy drift too large 7.51695364015000 + 20.9120031989457 split increased to 2 itime 79810 + itsplit 1 + acceleration/energy drift too large 3.07731634238367 + 10.3989006003071 split increased to 2 itime 80154 + itsplit 1 + acceleration/energy drift too large 5.24878375244555 + 13.5998606895437 split increased to 2 itime 80275 + itsplit 1 + acceleration/energy drift too large 4.08543964580600 + 12.6419153113048 split increased to 2 itime 81893 + itsplit 1 + acceleration/energy drift too large 3.17082298896354 + 11.0652149140535 split increased to 2 itime 83857 + itsplit 1 + acceleration/energy drift too large 10.4807209447992 + 50.9660168503026 split increased to 2 itime 83872 + itsplit 1 + acceleration/energy drift too large 5.33018291097125 + 14.7853823867531 split increased to 2 itime 87707 + itsplit 1 + acceleration/energy drift too large 8.97520495234830 + 41.2787549095013 split increased to 2 itime 87879 + itsplit 1 + acceleration/energy drift too large 3.96360028684416 + 11.8907168585575 split increased to 2 itime 88502 + itsplit 1 + acceleration/energy drift too large 7.15182857307978 + 17.7561155792951 split increased to 2 itime 89096 + itsplit 1 + acceleration/energy drift too large 2.57703828135233 + 13.1631879151119 split increased to 2 itime 91610 + itsplit 1 + acceleration/energy drift too large 6.54430620390576 + 11.9383358087576 split increased to 2 itime 95220 + itsplit 1 + acceleration/energy drift too large 6.43656604245968 + 30.3767233047073 split increased to 2 itime 95824 + itsplit 1 + acceleration/energy drift too large 7.25699322003709 + 22.6043704856316 split increased to 2 itime 96834 + itsplit 1 + acceleration/energy drift too large 5.42022519259350 + 19.6579075272798 split increased to 2 itime 98463 + itsplit 1 + acceleration/energy drift too large 5.05699437364065 + 15.1068555447324 split increased to 2 itime 98562 + itsplit 1 + acceleration/energy drift too large 4.25265552366323 + 22.2342699461477 split increased to 2 itime 99132 + itsplit 1 REMD synchro at 100000 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= 35.6445312500000 0.000000000000000E+000 + REMD gather times= 45.9921875000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 - REMD exchange temp,ene - 1 250.00000 -47.72112 - -45.28467 36.49890 -55.69137 -38.10953 0.00000 0.00000 - -0.39474 11.47348 -4.11253 0.00000 -27.63380 66.59361 - 6.20586 -0.96646 0.00000 -34.34480 14.12708 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 260.00000 -51.21402 - -41.92903 43.27258 -75.17740 -53.97091 0.00000 0.00000 - -4.96593 13.30304 -2.14006 0.00000 -35.61128 75.49043 - 8.00258 0.52171 0.00000 -29.73406 14.16146 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 270.00000 -39.06015 - -44.03371 39.50961 -73.72884 -51.25994 0.00000 0.00000 - 5.17982 14.13072 -3.95916 0.00000 -30.47553 65.22951 - 8.19769 0.01388 0.00000 -16.99110 24.08166 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 280.00000 -47.29872 - -44.18968 39.02600 -67.82983 -49.98829 0.00000 0.00000 - 0.66424 14.30977 -5.01908 0.00000 -28.93974 68.82341 - 7.74557 -0.80729 0.00000 -30.21227 13.21175 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 290.00000 -46.58529 - -43.03197 39.90474 -73.86583 -52.46260 0.00000 0.00000 - -3.15353 15.21754 -7.59320 0.00000 -31.52301 64.07322 - 5.10205 1.45082 0.00000 -23.90761 20.63711 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 300.00000 -44.28424 - -42.66558 42.55606 -80.29526 -58.94761 0.00000 0.00000 - -3.54503 17.31949 -2.25355 0.00000 -33.34445 82.34579 - 7.66096 -0.84157 0.00000 -30.24980 15.32784 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 310.00000 -47.79395 - -43.26278 40.02820 -73.79692 -52.60533 0.00000 0.00000 - -4.05692 14.97057 -1.36656 0.00000 -34.25422 77.30936 - 7.79054 1.79154 0.00000 -30.08318 9.00636 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 320.00000 -31.29257 - -35.77407 33.79856 -57.21373 -39.04777 0.00000 0.00000 - -0.53189 10.28261 -3.87058 0.00000 -34.29071 81.06284 - 6.39669 2.44805 0.00000 -34.35783 17.53061 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 330.00000 -31.56096 - -42.67189 27.04914 -38.27185 -23.94040 0.00000 0.00000 - 6.55607 7.53480 1.82857 0.00000 -27.86359 102.37634 - 3.38610 -1.35624 0.00000 -28.40438 17.87778 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 340.00000 -16.44986 - -39.00627 27.30433 -43.39420 -29.53701 0.00000 0.00000 - 0.09902 11.02282 -3.15416 0.00000 -31.16194 71.13221 - 4.29584 0.53845 0.00000 -32.08956 35.85824 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 350.00000 -21.49026 - -36.25163 23.06622 -37.42469 -25.75027 0.00000 0.00000 - -1.18142 9.83188 -0.15634 0.00000 -26.45039 72.25645 - 5.05833 0.99601 0.00000 -29.26346 20.97726 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 360.00000 -23.59922 - -31.49580 24.08799 -35.88102 -22.69463 0.00000 0.00000 - 6.06181 8.92983 2.53620 0.00000 -28.20599 78.59084 - 3.69922 -0.06874 0.00000 -21.74070 11.64028 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 370.00000 -19.95582 - -31.20616 18.81099 -23.11645 -15.47964 0.00000 0.00000 - -0.41301 5.06699 -2.16739 0.00000 -31.63237 69.02417 - 8.56737 0.22580 0.00000 -26.01202 18.07756 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 380.00000 -5.02147 - -27.23107 16.96553 -18.39200 -9.65125 0.00000 0.00000 - 3.42972 5.78812 3.06388 0.00000 -21.15766 84.65644 - 4.45262 -2.75294 0.00000 -23.90508 18.50996 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 390.00000 -13.32334 - -28.91120 13.54622 -9.60239 -6.50429 0.00000 0.00000 - 8.60496 4.10844 5.01705 0.00000 -20.72392 106.28163 - 1.41880 -1.67317 0.00000 -18.89898 12.01652 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 400.00000 -22.57457 - -32.22012 19.11866 -19.61685 -14.33612 0.00000 0.00000 - 13.63742 5.34706 4.84508 0.00000 -21.58873 64.48186 - 1.77180 -1.12441 0.00000 -27.24399 11.71417 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 9 nupa(0,i) 1 - i 10 nupa(0,i) 1 - i 10 nupa(0,i) 1 - i 10 nupa(0,i) 1 - i 10 nupa(0,i) 1 - i 14 nupa(0,i) 1 - i 14 nupa(0,i) 1 + REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 1.00000 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 1.00000 1 -ACC 6 300.00000 1.00000 1 -ACC 7 310.00000 1.00000 1 -ACC 8 320.00000 0.00000 1 -ACC 9 330.00000 0.00000 1 +ACC 5 290.00000 0.00000 1 +ACC 6 300.00000 0.00000 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 0.00000 1 +ACC 13 370.00000 1.00000 1 ACC 14 380.00000 1.00000 1 ACC 15 390.00000 1.00000 1 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 + 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 + itsplit 1 + acceleration/energy drift too large 4.68734273277294 + 19.4468841837176 split increased to 2 itime 131478 + itsplit 1 + acceleration/energy drift too large 3.12091239472442 + 11.9268309660226 split increased to 2 itime 131480 + itsplit 1 + acceleration/energy drift too large 3.68940954040349 + 12.5180760929243 split increased to 2 itime 131481 + itsplit 1 + acceleration/energy drift too large 2.73580783800752 + 13.7584427985648 split increased to 2 itime 131504 + itsplit 1 + acceleration/energy drift too large 3.71653892861237 + 10.1074096898373 split increased to 2 itime 131505 + itsplit 1 + acceleration/energy drift too large 3.00764766124082 + 11.2661741253589 split increased to 2 itime 131521 + itsplit 1 + acceleration/energy drift too large 3.49669567762202 + 12.0453148140340 split increased to 2 itime 131626 + itsplit 1 + acceleration/energy drift too large 3.59455653216657 + 10.3735484968627 split increased to 2 itime 131630 + itsplit 1 + acceleration/energy drift too large 5.43520565995042 + 13.1783890775920 split increased to 2 itime 131904 + itsplit 1 + acceleration/energy drift too large 4.03531388787357 + 13.6010379344806 split increased to 2 itime 132217 + itsplit 1 + acceleration/energy drift too large 5.57361165601825 + 10.7371667407616 split increased to 2 itime 132221 + itsplit 1 + acceleration/energy drift too large 5.94336296509131 + 13.9071306090387 split increased to 2 itime 132223 + itsplit 1 + acceleration/energy drift too large 7.69514456773475 + 13.9153039026417 split increased to 2 itime 132225 + itsplit 1 + acceleration/energy drift too large 4.18383373396116 + 16.7018087725217 split increased to 2 itime 132227 + itsplit 1 + acceleration/energy drift too large 5.77607863449099 + 18.0000021549833 split increased to 2 itime 132228 + itsplit 1 + acceleration/energy drift too large 2.79838628363987 + 18.4221415092220 split increased to 2 itime 132229 + itsplit 1 + acceleration/energy drift too large 5.44554599165093 + 25.9183247127143 split increased to 2 itime 132230 + itsplit 1 + acceleration/energy drift too large 4.72182724680471 + 14.9529749338405 split increased to 2 itime 132235 + itsplit 1 + acceleration/energy drift too large 3.39072756431827 + 10.8269640042296 split increased to 2 itime 132236 + itsplit 1 + acceleration/energy drift too large 4.23818726509806 + 10.5002664776303 split increased to 2 itime 132237 + itsplit 1 + acceleration/energy drift too large 3.37258097942969 + 13.6667226598659 split increased to 2 itime 132238 + itsplit 1 + acceleration/energy drift too large 5.06476170024404 + 10.0869089004748 split increased to 2 itime 132245 + itsplit 1 + acceleration/energy drift too large 2.45691003649186 + 10.0065349100240 split increased to 2 itime 132247 + itsplit 1 + acceleration/energy drift too large 4.95429357840774 + 17.4686468817731 split increased to 2 itime 132248 + itsplit 1 + acceleration/energy drift too large 3.20523023735219 + 10.5783660874184 split increased to 2 itime 132250 + itsplit 1 + acceleration/energy drift too large 3.83005983003455 + 10.3312234772840 split increased to 2 itime 132252 + itsplit 1 + acceleration/energy drift too large 5.96668105658881 + 21.8648751162025 split increased to 2 itime 132352 + itsplit 1 + acceleration/energy drift too large 2.57366549078258 + 10.7204174754546 split increased to 2 itime 132633 + itsplit 1 + acceleration/energy drift too large 3.85374851871649 + 12.9979182914724 split increased to 2 itime 133210 + itsplit 1 + acceleration/energy drift too large 3.23775310457150 + 11.0457944271487 split increased to 2 itime 133769 + itsplit 1 + acceleration/energy drift too large 5.45633904929515 + 12.5173255301342 split increased to 2 itime 134059 + itsplit 1 + acceleration/energy drift too large 10.5042427274165 + 38.7961028657262 split increased to 2 itime 134143 + itsplit 1 + acceleration/energy drift too large 4.93749045043839 + 32.2528296887783 split increased to 2 itime 134614 + itsplit 1 + acceleration/energy drift too large 4.26770912996510 + 10.4941102662541 split increased to 2 itime 135000 + itsplit 1 + acceleration/energy drift too large 9.13753365195345 + 19.5795269863410 split increased to 2 itime 135297 + itsplit 1 + acceleration/energy drift too large 3.13691364161884 + 10.0184682403936 split increased to 2 itime 135394 + itsplit 1 + acceleration/energy drift too large 2.69620602302578 + 14.3794165982865 split increased to 2 itime 135528 + itsplit 1 + acceleration/energy drift too large 3.42263173871173 + 21.8047574944509 split increased to 2 itime 136593 + itsplit 1 + acceleration/energy drift too large 11.9009529607981 + 66.8872542547535 split increased to 2 itime 136967 + itsplit 1 + acceleration/energy drift too large 3.87813928117670 + 17.9777184901114 split increased to 2 itime 137375 + itsplit 1 + acceleration/energy drift too large 6.69986318237259 + 52.0934523914965 split increased to 2 itime 137661 + itsplit 1 + acceleration/energy drift too large 3.06397433096185 + 10.0316559289249 split increased to 2 itime 137862 + itsplit 1 + acceleration/energy drift too large 3.37711892982592 + 11.9766400315784 split increased to 2 itime 138065 + itsplit 1 + acceleration/energy drift too large 3.16256906051118 + 18.9731319919121 split increased to 2 itime 138192 + itsplit 1 + acceleration/energy drift too large 5.32200219071462 + 11.4514340554917 split increased to 2 itime 138199 + itsplit 1 + acceleration/energy drift too large 7.06387371266726 + 15.4643304931995 split increased to 2 itime 138454 + itsplit 1 + acceleration/energy drift too large 4.01311925186105 + 12.0077255836695 split increased to 2 itime 138837 + itsplit 1 + acceleration/energy drift too large 7.08008729016947 + 25.2159671119652 split increased to 2 itime 138891 + itsplit 1 + acceleration/energy drift too large 6.03116951431894 + 14.1538180695288 split increased to 2 itime 140043 + itsplit 1 + acceleration/energy drift too large 5.28209088145592 + 10.0710885748632 split increased to 2 itime 140701 + itsplit 1 + acceleration/energy drift too large 2.52903372766177 + 11.5352124272077 split increased to 2 itime 143768 + itsplit 1 + acceleration/energy drift too large 2.69301470546620 + 11.6520626531771 split increased to 2 itime 143783 + itsplit 1 + acceleration/energy drift too large 5.34438732559655 + 18.9255080922852 split increased to 2 itime 145894 + itsplit 1 + acceleration/energy drift too large 4.90150438250201 + 16.0848389012915 split increased to 2 itime 146049 + itsplit 1 + acceleration/energy drift too large 7.97021925967903 + 31.0106872532936 split increased to 2 itime 146974 + itsplit 1 + acceleration/energy drift too large 2.64968138594850 + 10.4348487939822 split increased to 2 itime 147180 + itsplit 1 + acceleration/energy drift too large 4.72766164730828 + 21.3638036539171 split increased to 2 itime 147198 + itsplit 1 + acceleration/energy drift too large 2.27468774774603 + 10.4388103619469 split increased to 2 itime 147358 + itsplit 1 + acceleration/energy drift too large 4.33499001841991 + 10.0570577443840 split increased to 2 itime 147361 + itsplit 1 + acceleration/energy drift too large 3.13685399523669 + 10.3300227354659 split increased to 2 itime 147756 + itsplit 1 + acceleration/energy drift too large 3.14269686216342 + 10.0836463851260 split increased to 2 itime 147933 + itsplit 1 + acceleration/energy drift too large 6.60537725464165 + 43.0610365685458 split increased to 2 itime 148247 + itsplit 1 + acceleration/energy drift too large 2.64025964375548 + 11.1383080121906 split increased to 2 itime 148887 + itsplit 1 + acceleration/energy drift too large 2.54644065606580 + 12.2155128564049 split increased to 2 itime 148912 + itsplit 1 + acceleration/energy drift too large 3.53509740020863 + 10.5856493412560 split increased to 2 itime 149966 + itsplit 1 + acceleration/energy drift too large 3.00030116879298 + 10.6573508764340 split increased to 2 itime 149970 + itsplit 1 + acceleration/energy drift too large 4.55209887896271 + 10.0176745700400 split increased to 2 itime 149976 + itsplit 1 + acceleration/energy drift too large 4.15431714849061 + 11.0833221698331 split increased to 2 itime 149978 + itsplit 1 + acceleration/energy drift too large 3.59639514534303 + 14.6772404675006 split increased to 2 itime 149979 + itsplit 1 + acceleration/energy drift too large 4.52802257624354 + 18.8998238088602 split increased to 2 itime 149982 + itsplit 1 + acceleration/energy drift too large 3.22604879190684 + 12.5386992854376 split increased to 2 itime 149983 + itsplit 1 + acceleration/energy drift too large 2.21015845449597 + 11.0602672700091 split increased to 2 itime 149984 + itsplit 1 + acceleration/energy drift too large 3.99283265561232 + 22.7229152436611 split increased to 2 itime 149985 + itsplit 1 + acceleration/energy drift too large 4.15729908909175 + 21.9097597019633 split increased to 2 itime 149994 + itsplit 1 + acceleration/energy drift too large 3.58519461951109 + 12.7635061953116 split increased to 2 itime 149996 + itsplit 1 + acceleration/energy drift too large 3.80085867531807 + 18.6246727758644 split increased to 2 itime 149997 + itsplit 1 + acceleration/energy drift too large 4.69674829760362 + 10.5919444502427 split increased to 2 itime 149998 + itsplit 1 + acceleration/energy drift too large 4.66578165036902 + 17.1485190575685 split increased to 2 itime 149999 + itsplit 1 + acceleration/energy drift too large 3.20977294524735 + 10.7627247048118 split increased to 2 itime 150011 + itsplit 1 + acceleration/energy drift too large 4.00214273769333 + 12.5030807516012 split increased to 2 itime 150017 + itsplit 1 + acceleration/energy drift too large 3.43984456760827 + 13.1763226986233 split increased to 2 itime 150052 + itsplit 1 + acceleration/energy drift too large 4.83408835262600 + 12.3750021995095 split increased to 2 itime 150065 + itsplit 1 + acceleration/energy drift too large 3.55856426423091 + 10.2469221846266 split increased to 2 itime 150067 + itsplit 1 + acceleration/energy drift too large 2.78850262144462 + 11.6446264657594 split increased to 2 itime 150094 + itsplit 1 + acceleration/energy drift too large 3.71156129396044 + 11.1774964988724 split increased to 2 itime 150096 + itsplit 1 + acceleration/energy drift too large 2.87646265974063 + 10.7640919884107 split increased to 2 itime 150140 + itsplit 1 + acceleration/energy drift too large 4.29562816412618 + 10.3893442009059 split increased to 2 itime 150142 + itsplit 1 + acceleration/energy drift too large 3.38038869795772 + 13.5503179181994 split increased to 2 itime 150148 + itsplit 1 + acceleration/energy drift too large 2.63795474875690 + 11.7805354711352 split increased to 2 itime 150149 + itsplit 1 + acceleration/energy drift too large 3.77653615409900 + 10.9242903433014 split increased to 2 itime 150150 + itsplit 1 + acceleration/energy drift too large 3.25353134795093 + 20.3642927025087 split increased to 2 itime 150151 + itsplit 1 + acceleration/energy drift too large 4.04854742867167 + 10.6447109395184 split increased to 2 itime 150152 + itsplit 1 + acceleration/energy drift too large 3.32070124217529 + 22.7569130697103 split increased to 2 itime 150153 + itsplit 1 + acceleration/energy drift too large 3.96068916686783 + 10.1554654988664 split increased to 2 itime 150155 + itsplit 1 + acceleration/energy drift too large 3.74776551794727 + 10.6305201096411 split increased to 2 itime 150156 + itsplit 1 + acceleration/energy drift too large 3.15703313014993 + 10.7458247269109 split increased to 2 itime 150157 + itsplit 1 + acceleration/energy drift too large 3.89456333468890 + 12.6490342023766 split increased to 2 itime 150159 + itsplit 1 + acceleration/energy drift too large 2.29508872731756 + 11.2496627412762 split increased to 2 itime 150292 + itsplit 1 + acceleration/energy drift too large 3.91027226684611 + 10.7592548956926 split increased to 2 itime 150295 + itsplit 1 + acceleration/energy drift too large 6.17082844510436 + 11.1722453525526 split increased to 2 itime 151447 + itsplit 1 + acceleration/energy drift too large 2.76798839205613 + 17.4748575118951 split increased to 2 itime 151629 + itsplit 1 + acceleration/energy drift too large 7.32911643721605 + 24.5211866892728 split increased to 2 itime 152176 + itsplit 1 + acceleration/energy drift too large 5.21267571530118 + 13.4275007450735 split increased to 2 itime 152956 + itsplit 1 + acceleration/energy drift too large 6.58637069196637 + 12.6367397438123 split increased to 2 itime 153320 + itsplit 1 + acceleration/energy drift too large 4.96288190025425 + 13.3086954744678 split increased to 2 itime 154391 + itsplit 1 + acceleration/energy drift too large 7.19742793236590 + 23.5308886949411 split increased to 2 itime 155310 + itsplit 1 + acceleration/energy drift too large 6.61850946963791 + 17.8488605034831 split increased to 2 itime 155317 + itsplit 1 + acceleration/energy drift too large 4.41482611694815 + 10.8713563154167 split increased to 2 itime 155897 + itsplit 1 + acceleration/energy drift too large 3.48440147065838 + 10.5611784317480 split increased to 2 itime 155947 + itsplit 1 + acceleration/energy drift too large 4.64089134592669 + 16.3994741033045 split increased to 2 itime 156147 + itsplit 1 + acceleration/energy drift too large 4.72417680376213 + 33.5597813946096 split increased to 2 itime 156168 + itsplit 1 + acceleration/energy drift too large 3.50142990334422 + 16.5814151372209 split increased to 2 itime 156210 + itsplit 1 + acceleration/energy drift too large 11.8418387817317 + 65.0234065118579 split increased to 2 itime 156688 + itsplit 1 + acceleration/energy drift too large 3.23658377930189 + 10.1884145098446 split increased to 2 itime 157231 + itsplit 1 + acceleration/energy drift too large 6.55198662714626 + 13.4077497645363 split increased to 2 itime 157257 + itsplit 1 + acceleration/energy drift too large 2.97373710226050 + 11.8315659500505 split increased to 2 itime 157741 + itsplit 1 + acceleration/energy drift too large 3.34309588122220 + 12.1322328317018 split increased to 2 itime 157947 + itsplit 1 + acceleration/energy drift too large 4.64515902973695 + 13.5326636979388 split increased to 2 itime 159746 + itsplit 1 + acceleration/energy drift too large 3.12767226917974 + 12.0654673513253 split increased to 2 itime 159747 + itsplit 1 + acceleration/energy drift too large 5.88611780452978 + 14.8694179836057 split increased to 2 itime 159795 + itsplit 1 + acceleration/energy drift too large 4.75916688840520 + 17.1277758250013 split increased to 2 itime 159913 + itsplit 1 + acceleration/energy drift too large 6.77221058186728 + 17.8727038256621 split increased to 2 itime 163483 + itsplit 1 + acceleration/energy drift too large 6.53716398853630 + 26.4678588487029 split increased to 2 itime 164377 + itsplit 1 + acceleration/energy drift too large 4.11265753394077 + 13.2277084781393 split increased to 2 itime 164771 + itsplit 1 + acceleration/energy drift too large 4.85718611819306 + 12.2457208602390 split increased to 2 itime 165265 + itsplit 1 + acceleration/energy drift too large 2.46643223244218 + 11.4079254893662 split increased to 2 itime 165515 + itsplit 1 + acceleration/energy drift too large 6.08290718359029 + 13.9389658298268 split increased to 2 itime 166266 + itsplit 1 + acceleration/energy drift too large 5.21727086933181 + 19.6525316208381 split increased to 2 itime 166667 + itsplit 1 + acceleration/energy drift too large 4.10799537075402 + 10.9024929994254 split increased to 2 itime 167783 + itsplit 1 + acceleration/energy drift too large 6.06864506666801 + 16.0304185337795 split increased to 2 itime 168309 + itsplit 1 + acceleration/energy drift too large 3.67772051067840 + 10.2988238098860 split increased to 2 itime 170339 + itsplit 1 + acceleration/energy drift too large 6.70804677569938 + 29.8682722459196 split increased to 2 itime 170815 + itsplit 1 + acceleration/energy drift too large 2.96455377926515 + 10.0679490568457 split increased to 2 itime 170841 + itsplit 1 + acceleration/energy drift too large 2.50725736232368 + 10.7857855097085 split increased to 2 itime 170866 + itsplit 1 + acceleration/energy drift too large 8.53510587373955 + 12.4604557743218 split increased to 2 itime 170909 + itsplit 1 + acceleration/energy drift too large 6.27449999181136 + 24.5781404930958 split increased to 2 itime 172262 + itsplit 1 + acceleration/energy drift too large 3.69158631053476 + 21.6265167314422 split increased to 2 itime 173070 + itsplit 1 + acceleration/energy drift too large 4.27036742827382 + 10.0004974003630 split increased to 2 itime 173345 + itsplit 1 + acceleration/energy drift too large 6.28237625324244 + 26.3216131885768 split increased to 2 itime 173694 + itsplit 1 + acceleration/energy drift too large 3.73305551464882 + 17.4672799952438 split increased to 2 itime 174096 + itsplit 1 + acceleration/energy drift too large 6.16861718024993 + 35.1434160928447 split increased to 2 itime 174341 + itsplit 1 + acceleration/energy drift too large 6.19833779245507 + 16.9605417536041 split increased to 2 itime 174929 + itsplit 1 + acceleration/energy drift too large 5.95661820454820 + 20.7875135712371 split increased to 2 itime 176765 + itsplit 1 + acceleration/energy drift too large 4.70311839190071 + 10.7478924955815 split increased to 2 itime 177647 + itsplit 1 + acceleration/energy drift too large 2.97497497528995 + 10.0624831701879 split increased to 2 itime 178202 + itsplit 1 + acceleration/energy drift too large 2.75087836577381 + 12.8736838420008 split increased to 2 itime 178227 + itsplit 1 + acceleration/energy drift too large 3.11624586939148 + 10.1441650308257 split increased to 2 itime 178468 + itsplit 1 + acceleration/energy drift too large 4.93853954885600 + 11.6988276739245 split increased to 2 itime 178855 + itsplit 1 + acceleration/energy drift too large 7.00856015307153 + 12.4401071455529 split increased to 2 itime 179053 + itsplit 1 + acceleration/energy drift too large 2.56821442655174 + 10.6763614024172 split increased to 2 itime 179713 + itsplit 1 + acceleration/energy drift too large 2.93565761372467 + 11.1274396866791 split increased to 2 itime 179735 + itsplit 1 + acceleration/energy drift too large 3.01744362721822 + 10.9869513544512 split increased to 2 itime 179866 + itsplit 1 + acceleration/energy drift too large 3.90047913607958 + 10.0851929432956 split increased to 2 itime 180851 + itsplit 1 + acceleration/energy drift too large 2.83140525967270 + 10.8855015031401 split increased to 2 itime 181467 + itsplit 1 + acceleration/energy drift too large 8.91310102538601 + 35.6380038725245 split increased to 2 itime 181545 + itsplit 1 + acceleration/energy drift too large 5.83800774137487 + 18.2621704279045 split increased to 2 itime 182098 + itsplit 1 + acceleration/energy drift too large 2.53403834011763 + 10.0780292418203 split increased to 2 itime 183650 + itsplit 1 + acceleration/energy drift too large 4.13415572799205 + 10.8295672521748 split increased to 2 itime 183694 + itsplit 1 + acceleration/energy drift too large 4.17979540931945 + 10.0549133978134 split increased to 2 itime 184195 + itsplit 1 + acceleration/energy drift too large 6.55676012557181 + 14.3578831301027 split increased to 2 itime 184239 + itsplit 1 + acceleration/energy drift too large 4.52084989544459 + 10.9526994407804 split increased to 2 itime 184243 + itsplit 1 + acceleration/energy drift too large 2.41919248031248 + 11.4482042688969 split increased to 2 itime 185216 + itsplit 1 + acceleration/energy drift too large 1.98190666502525 + 10.3596130499509 split increased to 2 itime 185263 + itsplit 1 + acceleration/energy drift too large 4.03340177244413 + 18.7844800633522 split increased to 2 itime 186031 + itsplit 1 + acceleration/energy drift too large 2.69959282153786 + 10.2025466988030 split increased to 2 itime 186158 + itsplit 1 + acceleration/energy drift too large 4.86363116231976 + 10.4305891179488 split increased to 2 itime 186606 + itsplit 1 + acceleration/energy drift too large 3.81940134957707 + 10.1502128830778 split increased to 2 itime 186627 + itsplit 1 + acceleration/energy drift too large 11.7149328424614 + 58.2273097132392 split increased to 2 itime 187117 + itsplit 1 + acceleration/energy drift too large 5.86031610978054 + 15.6766148942222 split increased to 2 itime 187386 + itsplit 1 + acceleration/energy drift too large 4.40183556057235 + 12.3912652600398 split increased to 2 itime 187571 + itsplit 1 + acceleration/energy drift too large 7.89178000433836 + 27.7452453912900 split increased to 2 itime 187790 + itsplit 1 + acceleration/energy drift too large 3.77439290481200 + 20.9454962891674 split increased to 2 itime 188124 + itsplit 1 + acceleration/energy drift too large 10.0286433712830 + 46.2771450310216 split increased to 2 itime 188580 + itsplit 1 + acceleration/energy drift too large 7.41276881336916 + 14.3891970587383 split increased to 2 itime 188838 + itsplit 1 + acceleration/energy drift too large 2.37448097897313 + 17.2367198077943 split increased to 2 itime 188887 + itsplit 1 + acceleration/energy drift too large 1.44092376173216 + 10.2841812993479 split increased to 2 itime 189236 + itsplit 1 + acceleration/energy drift too large 4.96512035336011 + 15.7511935291162 split increased to 2 itime 189344 + itsplit 1 + acceleration/energy drift too large 3.33198830177967 + 11.4718336115094 split increased to 2 itime 189463 + itsplit 1 + acceleration/energy drift too large 4.10223047460260 + 15.0205012976199 split increased to 2 itime 190056 + itsplit 1 + acceleration/energy drift too large 2.46708963946001 + 10.4359922158438 split increased to 2 itime 190319 + itsplit 1 + acceleration/energy drift too large 4.50659652898448 + 10.1355964298644 split increased to 2 itime 190321 + itsplit 1 + acceleration/energy drift too large 3.65201927595873 + 10.7786120437239 split increased to 2 itime 190329 + itsplit 1 + acceleration/energy drift too large 5.40913077282803 + 10.0962469681957 split increased to 2 itime 190333 + itsplit 1 + acceleration/energy drift too large 4.70036783536982 + 12.6969678671029 split increased to 2 itime 190370 + itsplit 1 + acceleration/energy drift too large 3.59171689603184 + 11.3557248137280 split increased to 2 itime 190379 + itsplit 1 + acceleration/energy drift too large 6.58790628246656 + 12.4896272519525 split increased to 2 itime 190729 + itsplit 1 + acceleration/energy drift too large 4.39865850092240 + 12.6965121750561 split increased to 2 itime 190955 + itsplit 1 + acceleration/energy drift too large 2.08991283463400 + 10.1584886113200 split increased to 2 itime 192484 + itsplit 1 + acceleration/energy drift too large 7.59939020768112 + 30.5223882365984 split increased to 2 itime 192602 + itsplit 1 + acceleration/energy drift too large 4.16548879629661 + 10.2185273040875 split increased to 2 itime 193005 + itsplit 1 + acceleration/energy drift too large 6.28927173873436 + 12.5536476526056 split increased to 2 itime 193947 + itsplit 1 + acceleration/energy drift too large 12.2642592076063 + 67.1256047139475 split increased to 2 itime 194077 + 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 + itsplit 1 + acceleration/energy drift too large 3.56814895462811 + 17.9074515036942 split increased to 2 itime 195704 + itsplit 1 + acceleration/energy drift too large 5.02881354769344 + 12.9950757189103 split increased to 2 itime 197186 + itsplit 1 + acceleration/energy drift too large 4.73342963105735 + 10.8721306937392 split increased to 2 itime 199241 + itsplit 1 + acceleration/energy drift too large 6.70513216285429 + 20.4557372742857 split increased to 2 itime 199666 + itsplit 1 + acceleration/energy drift too large 1.04057948859272 + 12.7797592386721 split increased to 2 itime 199970 + itsplit 1 REMD synchro at 200000 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= 72.9882812500000 0.000000000000000E+000 + REMD gather times= 92.0312500000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 - REMD exchange temp,ene - 1 320.00000 -36.09026 - -35.57380 30.12143 -58.02354 -40.96965 0.00000 0.00000 - -0.18858 14.34337 -3.13612 0.00000 -31.57124 52.45834 - 7.44949 0.26982 0.00000 -24.92748 14.47054 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 250.00000 -70.88157 - -48.37331 56.69413 -105.72916 -80.68222 0.00000 0.00000 - -5.11453 17.75485 -1.78070 0.00000 -32.56096 55.83646 - 8.60584 0.07982 0.00000 -24.14402 11.91265 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 260.00000 -55.11716 - -42.34618 49.67494 -97.60782 -72.00674 0.00000 0.00000 - 0.33982 18.69638 -3.55492 0.00000 -32.23302 64.03553 - 8.82407 0.74522 0.00000 -13.00850 11.28532 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 270.00000 -64.25461 - -45.50387 49.09878 -95.70267 -68.70334 0.00000 0.00000 - -4.16316 18.81725 -3.03839 0.00000 -35.10980 71.33619 - 8.05653 -0.99205 0.00000 -18.10727 9.89360 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 280.00000 -52.82239 - -41.39844 47.27315 -91.47558 -64.58239 0.00000 0.00000 - -6.47974 17.21561 -7.90235 0.00000 -31.18298 66.78096 - 5.87662 1.66316 0.00000 -15.87925 14.54892 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 290.00000 -41.98239 - -43.12143 31.03464 -52.27353 -34.34925 0.00000 0.00000 - 2.38617 12.52422 -0.46823 0.00000 -30.62821 76.53731 - 5.75685 -0.67517 0.00000 -34.44475 14.49469 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 300.00000 -46.31214 - -42.21357 33.71481 -59.99837 -41.92200 0.00000 0.00000 - 1.41786 12.81988 -2.38025 0.00000 -31.27397 60.92427 - 7.26448 0.72467 0.00000 -29.07343 11.15042 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 310.00000 -44.79801 - -42.15726 30.18170 -46.62046 -31.01245 0.00000 0.00000 - 4.74952 9.98911 -0.78774 0.00000 -32.51366 58.85390 - 5.59490 -0.37061 0.00000 -33.69672 13.80485 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 330.00000 -34.70939 - -40.51613 27.19232 -37.74725 -25.84051 0.00000 0.00000 - 9.47325 9.03988 2.43770 0.00000 -33.28557 91.79806 - 4.57764 -0.90151 0.00000 -33.82775 14.62540 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 370.00000 -26.30625 - -41.70080 20.48121 -16.90059 -11.74205 0.00000 0.00000 - 5.26049 3.83644 6.15542 0.00000 -23.91046 71.55014 - 2.81148 -0.50637 0.00000 -30.00677 17.94379 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 340.00000 -40.78031 - -43.15077 28.26059 -35.90101 -24.14173 0.00000 0.00000 - 4.36359 5.23604 1.66117 0.00000 -31.34424 68.48367 - 8.82840 0.44039 0.00000 -37.66141 7.29591 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 350.00000 -17.94916 - -33.95115 24.92936 -31.57584 -22.58865 0.00000 0.00000 - -1.23087 7.84184 -1.74040 0.00000 -26.82314 94.32330 - 3.76986 1.26558 0.00000 -32.61345 16.31654 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 360.00000 -14.21735 - -31.17071 17.86679 -17.60386 -10.27389 0.00000 0.00000 - 0.11432 4.22986 1.40886 0.00000 -26.96916 94.10584 - 4.20149 -0.87487 0.00000 -23.95475 19.20924 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 400.00000 -6.08416 - -28.48365 13.68646 -11.75754 -6.35851 0.00000 0.00000 - 4.87744 5.94721 2.89178 0.00000 -22.15588 86.98359 - 4.54728 -0.80155 0.00000 -20.65987 18.00369 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 380.00000 4.51641 - -21.03927 13.40438 -6.26758 -3.64605 0.00000 0.00000 - 4.94083 4.41851 4.32079 0.00000 -25.04874 94.96405 - 2.20402 -0.70703 0.00000 -17.56263 21.18941 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 390.00000 -13.74244 - -39.83443 25.17892 -31.76761 -20.57477 0.00000 0.00000 - 2.84606 5.83074 3.66552 0.00000 -20.84524 86.92463 - 2.46470 2.18616 0.00000 -33.63010 22.39828 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 2 - i 2 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 9 nupa(0,i) 1 - i 9 nupa(0,i) 1 - i 12 nupa(0,i) 1 - i 12 nupa(0,i) 1 - i 12 nupa(0,i) 1 - i 15 nupa(0,i) 1 - i 15 nupa(0,i) 1 NREP 16 -ACC 1 250.00000 0.50000 2 -ACC 2 260.00000 1.00000 2 +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 0.50000 2 -ACC 5 290.00000 1.00000 2 -ACC 6 300.00000 1.00000 2 -ACC 7 310.00000 1.00000 2 -ACC 8 320.00000 0.00000 2 -ACC 9 330.00000 0.50000 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 0.00000 2 +ACC 13 370.00000 1.00000 2 ACC 14 380.00000 1.00000 2 ACC 15 390.00000 1.00000 2 REMD scatter time= 0.000000000000000E+000 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 + itsplit 1 + acceleration/energy drift too large 4.79116069816869 + 10.3506581605279 split increased to 2 itime 240795 + itsplit 1 + acceleration/energy drift too large 2.39746140931716 + 12.5525285453595 split increased to 2 itime 241394 + itsplit 1 + acceleration/energy drift too large 2.99578984003042 + 10.1372093350456 split increased to 2 itime 243223 + itsplit 1 + acceleration/energy drift too large 3.70957795718904 + 12.5634568340846 split increased to 2 itime 243578 + itsplit 1 + acceleration/energy drift too large 2.74716215430396 + 10.7801586761856 split increased to 2 itime 243582 + itsplit 1 + acceleration/energy drift too large 2.69566619838395 + 10.6562632101904 split increased to 2 itime 243728 + itsplit 1 + acceleration/energy drift too large 6.94461554482021 + 19.0282934488186 split increased to 2 itime 243857 + itsplit 1 + acceleration/energy drift too large 2.33466204961906 + 13.1012385658164 split increased to 2 itime 247728 + itsplit 1 + acceleration/energy drift too large 4.89678267637171 + 11.1757206562780 split increased to 2 itime 248581 + itsplit 1 + acceleration/energy drift too large 2.52609672361426 + 11.7950521670467 split increased to 2 itime 248740 + itsplit 1 + acceleration/energy drift too large 3.81746155706921 + 10.0825455058352 split increased to 2 itime 248773 + itsplit 1 + acceleration/energy drift too large 3.22602244334460 + 10.3434016091458 split increased to 2 itime 248790 + itsplit 1 + acceleration/energy drift too large 4.75122289638488 + 10.4690033302701 split increased to 2 itime 251001 + itsplit 1 + acceleration/energy drift too large 7.19002221771642 + 25.2308661242408 split increased to 2 itime 253340 + itsplit 1 + acceleration/energy drift too large 14.2644452055482 + 83.8305762869053 split increased to 2 itime 253674 + itsplit 1 + acceleration/energy drift too large 6.93068677004978 + 19.3283734918150 split increased to 2 itime 254407 + itsplit 1 + acceleration/energy drift too large 4.68031788236559 + 33.8066599296478 split increased to 2 itime 255303 + itsplit 1 + acceleration/energy drift too large 3.32666128350239 + 10.1376158087806 split increased to 2 itime 256715 + itsplit 1 + acceleration/energy drift too large 2.35990650928025 + 11.3527984661760 split increased to 2 itime 256721 + itsplit 1 + acceleration/energy drift too large 3.04551211351344 + 11.8607404337425 split increased to 2 itime 256727 + itsplit 1 + acceleration/energy drift too large 2.34769473722132 + 11.6499703311197 split increased to 2 itime 256752 + itsplit 1 + acceleration/energy drift too large 3.46148145932330 + 13.7005510141530 split increased to 2 itime 256831 + itsplit 1 + acceleration/energy drift too large 5.08742274687310 + 18.8311955858841 split increased to 2 itime 258587 + itsplit 1 + acceleration/energy drift too large 2.08210631792926 + 23.3584004109475 split increased to 2 itime 259827 + itsplit 1 + acceleration/energy drift too large 5.84736172998568 + 13.5309101098192 split increased to 2 itime 260117 + itsplit 1 + acceleration/energy drift too large 2.85551414422957 + 10.2861691717684 split increased to 2 itime 260147 + itsplit 1 + acceleration/energy drift too large 9.07872636125521 + 25.6458286409979 split increased to 2 itime 261590 + itsplit 1 + acceleration/energy drift too large 2.52163600297276 + 10.0077850095993 split increased to 2 itime 263202 + itsplit 1 + acceleration/energy drift too large 3.75830429583806 + 13.6407900350918 split increased to 2 itime 263392 + itsplit 1 + acceleration/energy drift too large 7.47240435392542 + 10.2994807853829 split increased to 2 itime 264821 + itsplit 1 + acceleration/energy drift too large 6.72974086319598 + 20.5467747352220 split increased to 2 itime 266851 + itsplit 1 + acceleration/energy drift too large 6.33109739432703 + 11.1277579388885 split increased to 2 itime 267953 + itsplit 1 + acceleration/energy drift too large 7.74249308287352 + 15.4451802421059 split increased to 2 itime 269382 + itsplit 1 + acceleration/energy drift too large 3.26085144452324 + 19.8829597027635 split increased to 2 itime 269724 + itsplit 1 + acceleration/energy drift too large 7.44341031517833 + 24.3602227128263 split increased to 2 itime 270061 + itsplit 1 + acceleration/energy drift too large 3.05158402089613 + 13.5993355802174 split increased to 2 itime 270850 + itsplit 1 + acceleration/energy drift too large 2.98732248260920 + 16.8440624501986 split increased to 2 itime 271045 + itsplit 1 + acceleration/energy drift too large 4.32081167141284 + 15.0154568734885 split increased to 2 itime 272587 + itsplit 1 + acceleration/energy drift too large 5.74989417960435 + 10.1905676077124 split increased to 2 itime 274859 + itsplit 1 + acceleration/energy drift too large 8.01190769181519 + 22.7771596009531 split increased to 2 itime 274965 + itsplit 1 + acceleration/energy drift too large 2.68877714999904 + 11.1080027982933 split increased to 2 itime 275760 + itsplit 1 + acceleration/energy drift too large 6.70047400708177 + 17.4989921441125 split increased to 2 itime 276551 + itsplit 1 + acceleration/energy drift too large 3.39583452499536 + 10.4766186602689 split increased to 2 itime 278605 + itsplit 1 + acceleration/energy drift too large 6.15274694577373 + 13.9616047769407 split increased to 2 itime 281276 + itsplit 1 + acceleration/energy drift too large 3.77220988221387 + 10.1207936353235 split increased to 2 itime 281333 + itsplit 1 + acceleration/energy drift too large 3.72515711247252 + 21.3963161788618 split increased to 2 itime 285190 + itsplit 1 + acceleration/energy drift too large 2.76732688192741 + 14.0155852993406 split increased to 2 itime 285916 + itsplit 1 + acceleration/energy drift too large 3.10854412414550 + 17.9499881033381 split increased to 2 itime 287587 + itsplit 1 + acceleration/energy drift too large 5.44723869467757 + 14.5927186999415 split increased to 2 itime 288260 + itsplit 1 + acceleration/energy drift too large 4.07973710274437 + 18.6148085114565 split increased to 2 itime 289368 + itsplit 1 + acceleration/energy drift too large 4.75859623701097 + 14.5071857149292 split increased to 2 itime 289771 + itsplit 1 + acceleration/energy drift too large 7.43072579421323 + 20.8459467421900 split increased to 2 itime 290470 + itsplit 1 + acceleration/energy drift too large 3.51077662847037 + 17.8444188275560 split increased to 2 itime 290923 + itsplit 1 + acceleration/energy drift too large 6.50301392227160 + 21.4424137909116 split increased to 2 itime 291334 + itsplit 1 + acceleration/energy drift too large 8.60888727483096 + 24.8162020154146 split increased to 2 itime 292551 + itsplit 1 + acceleration/energy drift too large 6.23015689004005 + 14.1763395970671 split increased to 2 itime 292925 + itsplit 1 + acceleration/energy drift too large 5.88224444348728 + 21.2672583049517 split increased to 2 itime 292950 + itsplit 1 + acceleration/energy drift too large 7.18541453411736 + 15.1637101315137 split increased to 2 itime 293068 + itsplit 1 + acceleration/energy drift too large 7.14220860539275 + 11.3850330908799 split increased to 2 itime 293930 + itsplit 1 + acceleration/energy drift too large 5.17523349760034 + 10.2508772242342 split increased to 2 itime 294574 + itsplit 1 + acceleration/energy drift too large 2.43468708850473 + 10.6502099308486 split increased to 2 itime 294908 + itsplit 1 + acceleration/energy drift too large 12.6098036474486 + 50.2150869881662 split increased to 2 itime 296007 + itsplit 1 + acceleration/energy drift too large 7.66356908024649 + 17.2355144286539 split increased to 2 itime 296510 + itsplit 1 + acceleration/energy drift too large 7.09691106262257 + 39.5267653777838 split increased to 2 itime 296717 + itsplit 1 + acceleration/energy drift too large 12.9753089542320 + 77.1940385255314 split increased to 2 itime 296933 + itsplit 1 + acceleration/energy drift too large 3.54929128372393 + 10.6260956323245 split increased to 2 itime 298080 + itsplit 1 + acceleration/energy drift too large 5.13575487432130 + 11.5247428414137 split increased to 2 itime 299952 + itsplit 1 REMD synchro at 300000 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= 111.316406250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 139.070312500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 - REMD exchange temp,ene - 1 310.00000 -39.24211 - -39.43016 27.98494 -47.40913 -31.59799 0.00000 0.00000 - -3.19939 11.69099 -6.18331 0.00000 -32.86392 85.25792 - 4.76914 2.84134 0.00000 -33.15652 14.59360 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 250.00000 -65.59230 - -41.86304 53.26537 -106.31719 -79.30779 0.00000 0.00000 - -7.90163 19.17148 -4.30680 0.00000 -32.00657 74.27941 - 8.41001 0.60678 0.00000 -14.64087 8.08146 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 280.00000 -49.69058 - -41.42689 45.20250 -94.38876 -70.60143 0.00000 0.00000 - -2.78132 18.68136 0.14037 0.00000 -32.18680 63.00085 - 9.20751 -2.71424 0.00000 15.86188 15.46655 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 260.00000 -59.66430 - -44.20330 57.19185 -121.30786 -90.40673 0.00000 0.00000 - -5.45616 19.89415 -1.04643 0.00000 -28.18714 72.16162 - 9.03949 -0.45385 0.00000 18.13918 14.70931 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 270.00000 -47.63871 - -40.70139 41.06028 -77.61710 -54.53754 0.00000 0.00000 - -4.42236 16.66473 -5.33257 0.00000 -33.01997 83.97260 - 5.99339 1.32656 0.00000 -25.68744 14.34899 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 320.00000 -26.41888 - -29.83890 25.49355 -40.27917 -25.61923 0.00000 0.00000 - -0.71990 8.65763 -3.54314 0.00000 -30.64698 54.90424 - 3.86954 3.25548 0.00000 -30.24653 16.64158 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 290.00000 -45.77582 - -42.78902 35.18351 -67.87050 -48.09066 0.00000 0.00000 - 0.89375 14.05019 -2.34454 0.00000 -30.54458 84.57223 - 8.53939 -1.59769 0.00000 -11.07288 12.03606 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 300.00000 -46.47145 - -41.57072 31.33748 -49.52933 -33.47829 0.00000 0.00000 - -1.66029 11.39151 -0.73576 0.00000 -28.73175 61.09639 - 3.82580 -0.02112 0.00000 -24.49838 9.17040 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 340.00000 -18.74294 - -34.62648 22.98095 -33.01375 -21.77907 0.00000 0.00000 - 8.50544 9.59388 5.60049 0.00000 -30.02606 128.34261 - 3.63645 -1.80783 0.00000 -29.84613 15.20624 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 360.00000 -7.40614 - -37.04607 19.73609 -18.28432 -12.24547 0.00000 0.00000 - 10.34254 5.72812 6.02645 0.00000 -21.78500 83.60590 - 3.84138 -4.34078 0.00000 -28.06237 27.85848 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 330.00000 -13.24481 - -37.97116 24.53873 -30.73381 -19.69913 0.00000 0.00000 - 4.90462 5.92363 0.11855 0.00000 -26.48587 145.70203 - 4.56305 0.35277 0.00000 -33.79883 18.31325 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 370.00000 -12.27971 - -33.24525 22.32395 -26.41466 -16.97034 0.00000 0.00000 - 6.01354 3.42487 2.44538 0.00000 -26.86842 130.89486 - 3.43825 1.08228 0.00000 -29.17340 17.39505 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 350.00000 -27.39640 - -36.12901 23.97917 -35.15390 -23.26830 0.00000 0.00000 - 4.67851 8.94961 0.75389 0.00000 -26.57944 69.86682 - 4.57740 -1.03546 0.00000 -29.04757 15.16725 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 390.00000 -15.51313 - -33.06794 16.98711 -17.46081 -11.04691 0.00000 0.00000 - 5.39802 3.99045 4.05883 0.00000 -20.40801 62.04349 - 3.52281 -1.61725 0.00000 -24.10480 20.30483 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 400.00000 -13.49620 - -27.64723 10.88102 -7.84761 -4.48975 0.00000 0.00000 - 7.37756 3.07752 4.02718 0.00000 -22.00708 83.67112 - 2.44194 -1.01385 0.00000 -16.00688 17.12660 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 380.00000 3.64522 - -28.16321 17.88617 -18.90892 -10.91707 0.00000 0.00000 - -0.40039 5.75101 2.91668 0.00000 -25.98969 85.83876 - 4.30650 0.94845 0.00000 -26.23261 29.93059 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 2 - i 2 nupa(0,i) 1 - i 2 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 16 nupa(0,i) 1 - i 16 nupa(0,i) 1 NREP 16 ACC 1 250.00000 0.66667 3 -ACC 2 260.00000 0.66667 3 +ACC 2 260.00000 0.33333 3 ACC 3 270.00000 1.00000 3 -ACC 4 280.00000 0.66667 3 -ACC 5 290.00000 1.00000 3 -ACC 6 300.00000 0.66667 3 -ACC 7 310.00000 1.00000 3 -ACC 8 320.00000 0.00000 3 -ACC 9 330.00000 0.66667 3 -ACC 10 340.00000 0.66667 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 0.00000 3 +ACC 13 370.00000 0.66667 3 ACC 14 380.00000 1.00000 3 ACC 15 390.00000 1.00000 3 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 + 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 + itsplit 1 + acceleration/energy drift too large 2.39708353443099 + 15.6602843656643 split increased to 2 itime 315150 + itsplit 1 + acceleration/energy drift too large 3.14171760766290 + 25.1260543037525 split increased to 2 itime 315151 + itsplit 1 + acceleration/energy drift too large 4.37497773845037 + 12.9444234196682 split increased to 2 itime 316430 + itsplit 1 + acceleration/energy drift too large 6.03864702561651 + 27.2480406339519 split increased to 2 itime 316505 + itsplit 1 + acceleration/energy drift too large 2.89734350744965 + 12.6388544744710 split increased to 2 itime 319736 + itsplit 1 + acceleration/energy drift too large 3.03664091876781 + 14.3760854364302 split increased to 2 itime 319752 + itsplit 1 + acceleration/energy drift too large 5.17187667339472 + 10.3231788496721 split increased to 2 itime 319754 + itsplit 1 + acceleration/energy drift too large 2.87878515918077 + 23.4499104524497 split increased to 2 itime 319755 + itsplit 1 + acceleration/energy drift too large 3.97490106903046 + 11.9158285181266 split increased to 2 itime 319757 + itsplit 1 + acceleration/energy drift too large 4.94631520644623 + 14.8217757591010 split increased to 2 itime 321012 + itsplit 1 + acceleration/energy drift too large 6.13012117981803 + 28.3960006099146 split increased to 2 itime 321323 + itsplit 1 + acceleration/energy drift too large 2.83020047735798 + 10.2555328618845 split increased to 2 itime 322483 + itsplit 1 + acceleration/energy drift too large 5.48090829811770 + 14.3264512065958 split increased to 2 itime 323678 + itsplit 1 + acceleration/energy drift too large 5.58365639697103 + 19.3087726550271 split increased to 2 itime 325891 + itsplit 1 + acceleration/energy drift too large 3.67003776225527 + 11.2978125755724 split increased to 2 itime 326129 + itsplit 1 + acceleration/energy drift too large 2.75328190949690 + 10.5542603740788 split increased to 2 itime 326145 + itsplit 1 + acceleration/energy drift too large 2.35112883529983 + 10.5836230634541 split increased to 2 itime 326187 + itsplit 1 + acceleration/energy drift too large 5.80809121571118 + 16.3382816219338 split increased to 2 itime 330062 + itsplit 1 + acceleration/energy drift too large 5.01536206161786 + 11.3188101485724 split increased to 2 itime 330950 + itsplit 1 + acceleration/energy drift too large 4.47633357145611 + 14.7790796478056 split increased to 2 itime 334226 + itsplit 1 + acceleration/energy drift too large 2.82972603297758 + 12.7655654965944 split increased to 2 itime 339891 + itsplit 1 + acceleration/energy drift too large 4.32420038756034 + 10.1166705906592 split increased to 2 itime 341324 + itsplit 1 + acceleration/energy drift too large 4.83962322937514 + 14.2315883009596 split increased to 2 itime 342197 + itsplit 1 + acceleration/energy drift too large 5.15696014276171 + 12.1364900446786 split increased to 2 itime 346488 + itsplit 1 + acceleration/energy drift too large 2.87939585213392 + 11.9777633367180 split increased to 2 itime 347046 + itsplit 1 + acceleration/energy drift too large 3.42264681284423 + 10.9204828464646 split increased to 2 itime 348069 + itsplit 1 + acceleration/energy drift too large 6.57253370806224 + 26.3026752561855 split increased to 2 itime 349664 + itsplit 1 + acceleration/energy drift too large 2.41456646066030 + 10.0746811772202 split increased to 2 itime 349686 + itsplit 1 + acceleration/energy drift too large 4.80970807440621 + 10.0347974799828 split increased to 2 itime 351170 + itsplit 1 + acceleration/energy drift too large 2.57759913654621 + 12.1867108953393 split increased to 2 itime 351222 + itsplit 1 + acceleration/energy drift too large 6.03613192086544 + 10.9669143895079 split increased to 2 itime 351235 + itsplit 1 + acceleration/energy drift too large 4.90737269119275 + 12.4319420245076 split increased to 2 itime 351238 + itsplit 1 + acceleration/energy drift too large 4.36996323120392 + 17.9343004519593 split increased to 2 itime 351597 + itsplit 1 + acceleration/energy drift too large 4.48778991248124 + 13.5126002911967 split increased to 2 itime 355933 + itsplit 1 + acceleration/energy drift too large 3.87046362045486 + 14.8649084215261 split increased to 2 itime 356603 + itsplit 1 + acceleration/energy drift too large 10.6725457043836 + 35.4720974625696 split increased to 2 itime 360160 + itsplit 1 + acceleration/energy drift too large 3.94201417312254 + 17.5887550904038 split increased to 2 itime 360699 + itsplit 1 + acceleration/energy drift too large 3.72648927048386 + 12.5050172142602 split increased to 2 itime 361359 + itsplit 1 + acceleration/energy drift too large 2.38885628597045 + 10.3045043115043 split increased to 2 itime 363132 + itsplit 1 + acceleration/energy drift too large 2.89956347876834 + 11.6183001751801 split increased to 2 itime 363135 + itsplit 1 + acceleration/energy drift too large 2.86684482122523 + 10.1042907538143 split increased to 2 itime 363141 + itsplit 1 + acceleration/energy drift too large 5.07210840207462 + 13.0013674367039 split increased to 2 itime 364693 + itsplit 1 + acceleration/energy drift too large 5.93242141497752 + 14.7225474005101 split increased to 2 itime 365689 + itsplit 1 + acceleration/energy drift too large 5.32061170506246 + 16.2561159096743 split increased to 2 itime 368104 + itsplit 1 + acceleration/energy drift too large 9.96410091291693 + 41.6311971975705 split increased to 2 itime 368164 + itsplit 1 + acceleration/energy drift too large 3.45127606367486 + 10.3587937722658 split increased to 2 itime 368849 + itsplit 1 + acceleration/energy drift too large 5.70434711074901 + 26.3315470806861 split increased to 2 itime 369954 + itsplit 1 + acceleration/energy drift too large 6.02957162300502 + 18.0516642969636 split increased to 2 itime 371657 + itsplit 1 + acceleration/energy drift too large 4.66300525012313 + 13.6320137929398 split increased to 2 itime 371942 + itsplit 1 + acceleration/energy drift too large 2.49238883186510 + 10.5839903426323 split increased to 2 itime 373742 + itsplit 1 + acceleration/energy drift too large 6.61738836474461 + 13.8006894344397 split increased to 2 itime 375981 + itsplit 1 + acceleration/energy drift too large 5.95763088013116 + 11.3955163560056 split increased to 2 itime 376242 + itsplit 1 + acceleration/energy drift too large 1.96798709967086 + 10.5703233303137 split increased to 2 itime 376421 + itsplit 1 + acceleration/energy drift too large 2.61657054059635 + 10.2195846874822 split increased to 2 itime 376547 + itsplit 1 + acceleration/energy drift too large 2.10573255238195 + 14.2506568260552 split increased to 2 itime 376866 + itsplit 1 + acceleration/energy drift too large 1.51689338462515 + 13.2305687152525 split increased to 2 itime 377873 + itsplit 1 + acceleration/energy drift too large 6.69935441170210 + 32.5139275856887 split increased to 2 itime 381126 + itsplit 1 + acceleration/energy drift too large 7.28101088752383 + 36.8290188558607 split increased to 2 itime 381682 + itsplit 1 + acceleration/energy drift too large 1.47894968345552 + 10.5435992307675 split increased to 2 itime 382663 + itsplit 1 + acceleration/energy drift too large 4.15417535087545 + 11.5744855814668 split increased to 2 itime 382669 + itsplit 1 + acceleration/energy drift too large 2.32337245018191 + 12.4848326926804 split increased to 2 itime 382670 + itsplit 1 + acceleration/energy drift too large 4.46969555318568 + 13.6359366106928 split increased to 2 itime 382675 + itsplit 1 + acceleration/energy drift too large 4.07270284348795 + 15.2060129462891 split increased to 2 itime 382677 + itsplit 1 + acceleration/energy drift too large 2.73244678765435 + 10.5194491902838 split increased to 2 itime 382678 + itsplit 1 + acceleration/energy drift too large 2.62538955424017 + 12.0718705770603 split increased to 2 itime 382679 + itsplit 1 + acceleration/energy drift too large 2.20962522271701 + 13.4900322408877 split increased to 2 itime 382680 + itsplit 1 + acceleration/energy drift too large 2.30752798243274 + 11.1295452879310 split increased to 2 itime 382683 + 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 + 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 + itsplit 1 + acceleration/energy drift too large 2.31065591028526 + 14.0961243406389 split increased to 2 itime 384826 + itsplit 1 + acceleration/energy drift too large 4.32376079289063 + 14.2760729455425 split increased to 2 itime 387578 + itsplit 1 + acceleration/energy drift too large 6.22224590320130 + 23.2622033217460 split increased to 2 itime 389515 + itsplit 1 + acceleration/energy drift too large 4.11868393786114 + 13.1989751234863 split increased to 2 itime 389536 + itsplit 1 + acceleration/energy drift too large 2.38609605549212 + 13.4442311340799 split increased to 2 itime 391173 + itsplit 1 + acceleration/energy drift too large 4.87185971377541 + 13.2555572989754 split increased to 2 itime 393717 + 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 + itsplit 1 REMD synchro at 400000 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= 148.046875000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 - REMD exchange temp,ene - 1 320.00000 -33.32207 - -43.78033 36.24307 -61.80857 -45.04384 0.00000 0.00000 - 1.29290 14.40348 -0.70201 0.00000 -26.58513 70.66385 - 6.24324 -0.53137 0.00000 -30.35816 16.40366 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 260.00000 -60.28110 - -48.81073 48.09340 -93.55294 -69.83329 0.00000 0.00000 - -0.93210 17.59150 -5.01886 0.00000 -30.22021 89.09698 - 8.75113 0.05498 0.00000 -14.40434 11.93969 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 270.00000 -53.12899 - -39.15087 49.10421 -105.82645 -77.04005 0.00000 0.00000 - 0.20078 19.61625 -3.59812 0.00000 -29.24808 46.52780 - 12.02585 -1.82099 0.00000 6.26081 10.20899 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 250.00000 -67.82835 - -41.78486 58.67123 -122.67452 -89.00559 0.00000 0.00000 - -5.37302 17.88663 -6.43421 0.00000 -28.86118 52.11190 - 9.34784 1.40227 0.00000 8.84744 13.49170 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 300.00000 -40.82416 - -44.32184 33.19045 -44.85445 -28.27598 0.00000 0.00000 - 4.69344 9.85075 -3.88664 0.00000 -27.50034 78.05985 - 4.42273 0.32579 0.00000 -32.33312 8.68015 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 310.00000 -37.22735 - -39.73529 27.91504 -41.05399 -26.90996 0.00000 0.00000 - -0.01510 8.39663 -2.33934 0.00000 -30.68314 93.37603 - 4.17346 0.20052 0.00000 -27.38247 13.91891 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 280.00000 -52.03459 - -41.97902 34.06070 -61.09087 -44.33822 0.00000 0.00000 - 2.32346 12.42302 -1.62584 0.00000 -29.43502 50.05359 - 6.72925 -1.32153 0.00000 -19.63644 11.63958 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 290.00000 -43.01978 - -41.93767 35.46829 -65.62386 -48.08425 0.00000 0.00000 - 1.44521 14.00541 -3.46566 0.00000 -27.89956 67.09850 - 7.48444 -0.19662 0.00000 -26.72069 13.76994 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 330.00000 -37.22007 - -46.92153 24.35775 -29.63468 -18.72919 0.00000 0.00000 - 1.92841 6.59071 2.88784 0.00000 -28.62588 64.58733 - 4.58777 -0.35093 0.00000 -30.04103 19.73482 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 350.00000 -17.21010 - -32.85186 17.25994 -20.35113 -12.41558 0.00000 0.00000 - 4.86122 6.44065 3.02021 0.00000 -28.66755 81.07511 - 2.36898 0.69600 0.00000 -25.41113 23.13030 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 370.00000 -16.29611 - -37.98408 24.92962 -37.10986 -22.12604 0.00000 0.00000 - 5.55178 9.39783 2.64289 0.00000 -26.02877 59.45596 - 6.49546 -0.59710 0.00000 -22.44724 22.82502 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 360.00000 -8.34890 - -28.24829 19.16684 -22.88570 -14.51931 0.00000 0.00000 - 6.45801 5.84816 2.23918 0.00000 -26.84159 112.21634 - 4.95674 0.29825 0.00000 -25.24437 14.70455 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 340.00000 -20.74267 - -36.02456 25.02826 -36.09360 -23.94926 0.00000 0.00000 - -0.67315 7.64965 -1.06001 0.00000 -33.40257 94.11565 - 7.75705 0.16025 0.00000 -29.38466 21.09135 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 380.00000 -13.35805 - -30.83822 25.40645 -37.60224 -24.23862 0.00000 0.00000 - 1.94550 9.30819 1.26901 0.00000 -21.98505 76.86640 - 4.64099 -1.77883 0.00000 -32.91453 15.19330 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 390.00000 -10.57066 - -30.78995 21.11210 -26.22946 -14.99758 0.00000 0.00000 - 3.54625 8.26257 3.60538 0.00000 -24.94586 104.10098 - 3.41418 0.34044 0.00000 -28.13352 14.20081 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 400.00000 4.67315 - -24.88181 13.51934 -9.02630 -4.36188 0.00000 0.00000 - 13.53701 4.50214 3.13020 0.00000 -19.96293 108.47750 - 2.51575 -1.08898 0.00000 -16.44025 19.81379 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 4 - i 4 nupa(0,i) 1 - i 2 nupa(0,i) 1 - i 2 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 9 nupa(0,i) 1 - i 9 nupa(0,i) 1 - i 10 nupa(0,i) 1 - i 10 nupa(0,i) 1 - i 10 nupa(0,i) 1 - i 10 nupa(0,i) 1 - i 10 nupa(0,i) 1 + REMD gather times= 184.914062500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.50000 4 -ACC 2 260.00000 0.75000 4 -ACC 3 270.00000 0.75000 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 0.75000 4 -ACC 6 300.00000 0.75000 4 -ACC 7 310.00000 1.00000 4 -ACC 8 320.00000 0.00000 4 -ACC 9 330.00000 0.75000 4 -ACC 10 340.00000 0.50000 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 0.25000 4 +ACC 13 370.00000 0.75000 4 ACC 14 380.00000 1.00000 4 -ACC 15 390.00000 1.00000 4 +ACC 15 390.00000 0.75000 4 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 + itsplit 1 + acceleration/energy drift too large 5.03548107969719 + 27.8360541468611 split increased to 2 itime 401288 + itsplit 1 + acceleration/energy drift too large 4.55219546603872 + 18.7432090374252 split increased to 2 itime 401553 + itsplit 1 + acceleration/energy drift too large 3.79570344607287 + 16.7536089092949 split increased to 2 itime 402000 + itsplit 1 + acceleration/energy drift too large 19.9538723098051 + 136.778879083221 split increased to 2 itime 402813 + 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 + itsplit 1 + acceleration/energy drift too large 2.60319023263794 + 13.4381568243776 split increased to 2 itime 431895 + itsplit 1 + acceleration/energy drift too large 7.68853048176571 + 21.0400435076881 split increased to 2 itime 432669 + itsplit 1 + acceleration/energy drift too large 3.74997833756420 + 11.0986666311506 split increased to 2 itime 432689 + itsplit 1 + acceleration/energy drift too large 4.48348175777877 + 14.3333209238640 split increased to 2 itime 433554 + itsplit 1 + acceleration/energy drift too large 3.20734873633366 + 10.8983630472182 split increased to 2 itime 434040 + itsplit 1 + acceleration/energy drift too large 3.04670744550587 + 16.9233242865536 split increased to 2 itime 434130 + itsplit 1 + acceleration/energy drift too large 4.64423433484755 + 27.4863813192025 split increased to 2 itime 434237 + itsplit 1 + acceleration/energy drift too large 2.90179637195793 + 11.3017399816840 split increased to 2 itime 434284 + itsplit 1 + acceleration/energy drift too large 5.73018814341032 + 31.7301902903985 split increased to 2 itime 434464 + itsplit 1 + acceleration/energy drift too large 4.09504432219197 + 16.4862347990116 split increased to 2 itime 434572 + itsplit 1 + acceleration/energy drift too large 4.80145640307585 + 22.0339340632197 split increased to 2 itime 435182 + itsplit 1 + acceleration/energy drift too large 4.13076452198420 + 21.5117104689005 split increased to 2 itime 435690 + itsplit 1 + acceleration/energy drift too large 1.73775289702704 + 11.4840716332054 split increased to 2 itime 437247 + itsplit 1 + acceleration/energy drift too large 5.48999206942759 + 34.9135705829164 split increased to 2 itime 437751 + itsplit 1 + acceleration/energy drift too large 3.72428381800589 + 17.2985388005026 split increased to 2 itime 437822 + itsplit 1 + acceleration/energy drift too large 3.27342280752035 + 26.4686091349157 split increased to 2 itime 438342 + itsplit 1 + acceleration/energy drift too large 7.79189491903860 + 29.4669775516769 split increased to 2 itime 438575 + itsplit 1 + acceleration/energy drift too large 5.16801698086677 + 31.8882621646102 split increased to 2 itime 439244 + itsplit 1 + acceleration/energy drift too large 9.18408479538560 + 43.1997932594915 split increased to 2 itime 439449 + itsplit 1 + acceleration/energy drift too large 4.09970844346303 + 13.2471520322388 split increased to 2 itime 439451 + itsplit 1 + acceleration/energy drift too large 4.78958898635655 + 23.9868019719558 split increased to 2 itime 440687 + itsplit 1 + acceleration/energy drift too large 3.83961939949008 + 17.9522818425926 split increased to 2 itime 440953 + itsplit 1 + acceleration/energy drift too large 3.59295343388282 + 14.8007912762092 split increased to 2 itime 442747 + itsplit 1 + acceleration/energy drift too large 3.27154019479899 + 20.2807578406019 split increased to 2 itime 442977 + itsplit 1 + acceleration/energy drift too large 5.31929647508473 + 16.3257038680913 split increased to 2 itime 444172 + itsplit 1 + acceleration/energy drift too large 5.05091822853998 + 10.2937212369324 split increased to 2 itime 445847 + itsplit 1 + acceleration/energy drift too large 6.81897530390985 + 19.0702254260379 split increased to 2 itime 447267 + itsplit 1 + acceleration/energy drift too large 8.84860238142054 + 30.3071608394985 split increased to 2 itime 447472 + itsplit 1 + acceleration/energy drift too large 4.60804289581258 + 11.3648340782750 split increased to 2 itime 447524 + itsplit 1 + acceleration/energy drift too large 4.51462168534791 + 18.7633552544577 split increased to 2 itime 449284 + itsplit 1 + acceleration/energy drift too large 6.50539329350082 + 14.3662250443147 split increased to 2 itime 451754 + itsplit 1 + acceleration/energy drift too large 5.99102483501965 + 14.8406043192281 split increased to 2 itime 453255 + itsplit 1 + acceleration/energy drift too large 2.34283276344341 + 10.8449788881703 split increased to 2 itime 454881 + itsplit 1 + acceleration/energy drift too large 2.88862527983168 + 10.6158020828451 split increased to 2 itime 456046 + itsplit 1 + acceleration/energy drift too large 3.45224943509093 + 27.3806423741949 split increased to 2 itime 460953 + itsplit 1 + acceleration/energy drift too large 9.78608930179663 + 65.6222759930618 split increased to 2 itime 461725 + itsplit 1 + acceleration/energy drift too large 2.61505775112932 + 10.3176720714059 split increased to 2 itime 462973 + itsplit 1 + acceleration/energy drift too large 3.23564212626803 + 11.5624323967677 split increased to 2 itime 463795 + itsplit 1 + acceleration/energy drift too large 5.85576824463566 + 36.5527882995749 split increased to 2 itime 464010 + itsplit 1 + acceleration/energy drift too large 9.92886712895449 + 39.4818005433922 split increased to 2 itime 464763 + itsplit 1 + acceleration/energy drift too large 2.31155506361289 + 12.3737241897432 split increased to 2 itime 465120 + itsplit 1 + acceleration/energy drift too large 5.71029719713249 + 12.9447391886482 split increased to 2 itime 465304 + itsplit 1 + acceleration/energy drift too large 3.71529365486043 + 10.5965546312035 split increased to 2 itime 465408 + itsplit 1 + acceleration/energy drift too large 5.04095527802420 + 16.6845067872505 split increased to 2 itime 466581 + itsplit 1 + acceleration/energy drift too large 3.17881117329178 + 10.9486141388178 split increased to 2 itime 466652 + itsplit 1 + acceleration/energy drift too large 6.12340982716428 + 12.3587224576679 split increased to 2 itime 467446 + itsplit 1 + acceleration/energy drift too large 6.42261678838877 + 14.3127974791671 split increased to 2 itime 468163 + itsplit 1 + acceleration/energy drift too large 5.34804721191135 + 25.1248262260255 split increased to 2 itime 470390 + itsplit 1 + acceleration/energy drift too large 2.78242516931406 + 24.5686548768749 split increased to 2 itime 470391 + itsplit 1 + acceleration/energy drift too large 5.40759402244583 + 12.4338366409876 split increased to 2 itime 471315 + itsplit 1 + acceleration/energy drift too large 3.43462081885611 + 10.4570252408813 split increased to 2 itime 473371 + itsplit 1 + acceleration/energy drift too large 4.21024612642277 + 12.2012163864496 split increased to 2 itime 473849 + itsplit 1 + acceleration/energy drift too large 6.47248342585038 + 23.2750175444231 split increased to 2 itime 476562 + itsplit 1 + acceleration/energy drift too large 4.40857045858804 + 10.2928721662550 split increased to 2 itime 476563 + itsplit 1 + acceleration/energy drift too large 5.73203882604110 + 12.9272193324235 split increased to 2 itime 477965 + itsplit 1 + acceleration/energy drift too large 4.59792919422320 + 23.9741804227690 split increased to 2 itime 478397 + itsplit 1 + acceleration/energy drift too large 2.12848418843641 + 12.8294118053031 split increased to 2 itime 479376 + itsplit 1 + acceleration/energy drift too large 3.34277430445103 + 10.2341156419797 split increased to 2 itime 479989 + itsplit 1 + acceleration/energy drift too large 4.10294673604326 + 10.9425615649003 split increased to 2 itime 479994 + itsplit 1 + acceleration/energy drift too large 3.91353713989020 + 10.0254200136228 split increased to 2 itime 480019 + itsplit 1 + acceleration/energy drift too large 12.7928639463399 + 60.6093307597738 split increased to 2 itime 481130 + itsplit 1 + acceleration/energy drift too large 4.54190447801872 + 15.0966623236882 split increased to 2 itime 481436 + itsplit 1 + acceleration/energy drift too large 11.3750151483190 + 50.8460668713684 split increased to 2 itime 485004 + 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 + itsplit 1 + acceleration/energy drift too large 5.75179019349930 + 18.1874617364143 split increased to 2 itime 486692 + itsplit 1 + acceleration/energy drift too large 3.71394957508847 + 10.7017947596753 split increased to 2 itime 488013 + itsplit 1 + acceleration/energy drift too large 5.30188558781754 + 14.2334926654815 split increased to 2 itime 490550 + itsplit 1 + acceleration/energy drift too large 4.55094542654810 + 25.6245229913296 split increased to 2 itime 492231 + itsplit 1 + acceleration/energy drift too large 4.80713564381476 + 17.9145273120508 split increased to 2 itime 493027 + itsplit 1 + acceleration/energy drift too large 3.66561499835934 + 14.7155455736880 split increased to 2 itime 493152 + itsplit 1 + acceleration/energy drift too large 3.95819541109023 + 10.7746336122154 split increased to 2 itime 493157 + itsplit 1 + acceleration/energy drift too large 4.20281664887109 + 11.7441760308973 split increased to 2 itime 493173 + itsplit 1 + acceleration/energy drift too large 3.80692589539098 + 11.2696311252196 split increased to 2 itime 493191 + itsplit 1 + acceleration/energy drift too large 4.18003772677921 + 11.5727112451472 split increased to 2 itime 493215 + itsplit 1 + acceleration/energy drift too large 4.36529927874289 + 18.5264721926763 split increased to 2 itime 493661 + itsplit 1 + acceleration/energy drift too large 4.19693770726016 + 12.2054542295134 split increased to 2 itime 493829 + itsplit 1 + acceleration/energy drift too large 6.53661152734394 + 12.5302550482339 split increased to 2 itime 499372 + itsplit 1 + acceleration/energy drift too large 3.22997621892815 + 13.6338618568845 split increased to 2 itime 499697 + 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= 184.902343750000 0.000000000000000E+000 + REMD gather times= 230.730468750000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 - REMD exchange temp,ene - 1 310.00000 -22.95287 - -37.84036 31.11192 -56.04894 -40.93099 0.00000 0.00000 - 4.43499 14.22469 0.30094 0.00000 -32.32954 66.71617 - 9.42706 -1.77200 0.00000 -34.12508 24.66176 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 270.00000 -60.40464 - -40.45816 49.92260 -106.34886 -78.79906 0.00000 0.00000 - -7.29181 19.52764 -2.12792 0.00000 -33.85381 73.50910 - 9.34126 -0.05628 0.00000 2.52665 8.90691 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 260.00000 -49.59287 - -43.62665 53.78242 -111.96135 -83.56831 0.00000 0.00000 - -0.28055 20.63014 -3.95672 0.00000 -27.58141 60.46984 - 9.07713 -1.66288 0.00000 23.38277 21.17032 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 250.00000 -59.91067 - -43.59519 63.92255 -134.40879 -98.46938 0.00000 0.00000 - -7.29141 19.55003 -8.77481 0.00000 -19.52444 73.89718 - 8.36062 1.05986 0.00000 41.31443 14.23143 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 320.00000 -26.92779 - -34.99024 33.78621 -57.85594 -37.60531 0.00000 0.00000 - -5.09147 12.12786 -3.55265 0.00000 -30.24517 94.52995 - 5.44977 0.92001 0.00000 -25.25128 14.55689 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 300.00000 -40.46581 - -43.32357 42.74727 -80.55608 -60.72142 0.00000 0.00000 - 0.95775 17.17315 -2.01612 0.00000 -33.87851 85.10705 - 8.70482 0.07530 0.00000 -20.49048 15.58294 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 290.00000 -45.64814 - -42.93956 32.58962 -55.72545 -36.67552 0.00000 0.00000 - 4.02899 11.42389 -2.67572 0.00000 -33.76195 64.04015 - 6.12643 2.43149 0.00000 -27.47976 13.87960 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 280.00000 -48.94857 - -44.67611 47.97446 -91.67703 -66.74920 0.00000 0.00000 - -2.88460 18.71016 -4.41357 0.00000 -33.65829 93.46131 - 7.63654 -0.14951 0.00000 -8.17336 13.99605 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 340.00000 -24.20072 - -42.34942 27.61121 -41.44962 -29.73056 0.00000 0.00000 - 2.43399 9.90477 1.73588 0.00000 -29.15541 90.04918 - 6.54119 -0.34608 0.00000 -30.25547 21.27056 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 400.00000 -5.00110 - -21.46598 11.26011 -5.49735 -2.73819 0.00000 0.00000 - 10.20192 2.50576 5.74364 0.00000 -21.25952 97.99785 - -0.18277 -1.57884 0.00000 -15.08576 16.19095 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 360.00000 -19.76051 - -30.74974 17.25420 -19.51401 -12.35869 0.00000 0.00000 - 1.15473 4.60011 3.63612 0.00000 -24.74180 86.07590 - 5.13682 -1.12147 0.00000 -26.33678 12.00541 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 350.00000 -23.53171 - -36.84224 25.97535 -36.22958 -22.84578 0.00000 0.00000 - 1.87174 8.74918 0.25154 0.00000 -26.92866 69.93576 - 3.74620 -0.62302 0.00000 -32.84098 20.01648 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 330.00000 -19.08322 - -34.63109 22.02880 -25.94498 -15.81873 0.00000 0.00000 - 4.34688 6.05709 1.64904 0.00000 -23.62877 60.44533 - 5.11610 -2.55393 0.00000 -31.98614 19.82215 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 370.00000 -22.48789 - -36.82832 21.03139 -21.20493 -12.84048 0.00000 0.00000 - 1.62628 5.65011 3.39300 0.00000 -27.85725 69.75333 - 3.24569 -0.84488 0.00000 -28.93421 20.82531 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 380.00000 -13.07844 - -33.35002 21.76398 -28.79411 -17.82894 0.00000 0.00000 - 5.62967 7.15664 2.79481 0.00000 -23.15512 69.81190 - 4.13867 -1.06239 0.00000 -23.79723 20.91093 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 390.00000 5.04340 - -21.53189 14.65297 -10.94897 -6.26161 0.00000 0.00000 - 12.64140 4.48583 4.17256 0.00000 -15.11365 67.69753 - 2.59445 -2.35670 0.00000 -21.26950 17.75922 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 4 - i 4 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 8 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 13 nupa(0,i) 1 - i 13 nupa(0,i) 1 - i 13 nupa(0,i) 1 - i 13 nupa(0,i) 1 - i 13 nupa(0,i) 1 - i 13 nupa(0,i) 1 - i 13 nupa(0,i) 1 + REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.40000 5 -ACC 2 260.00000 0.80000 5 -ACC 3 270.00000 0.60000 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 0.80000 5 +ACC 5 290.00000 0.40000 5 ACC 6 300.00000 0.60000 5 -ACC 7 310.00000 1.00000 5 -ACC 8 320.00000 0.00000 5 -ACC 9 330.00000 0.80000 5 -ACC 10 340.00000 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 0.40000 5 -ACC 14 380.00000 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= 7.812500000000000E-003 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 7.30114365090927 + 20.9394571298247 split increased to 2 itime 502331 + itsplit 1 + acceleration/energy drift too large 6.26211787725750 + 31.3065781609040 split increased to 2 itime 502554 + itsplit 1 + acceleration/energy drift too large 2.81716055666825 + 18.0445010356465 split increased to 2 itime 502946 + itsplit 1 + acceleration/energy drift too large 2.46298337975733 + 11.1344969262833 split increased to 2 itime 503043 + itsplit 1 + acceleration/energy drift too large 3.43937504573531 + 10.6345801227653 split increased to 2 itime 504149 + itsplit 1 + acceleration/energy drift too large 2.97273473172716 + 26.1550591522357 split increased to 2 itime 504299 + itsplit 1 + acceleration/energy drift too large 4.23642920834176 + 10.6472833315762 split increased to 2 itime 506897 + itsplit 1 + acceleration/energy drift too large 5.70728485372897 + 19.7893702394482 split increased to 2 itime 507928 + itsplit 1 + acceleration/energy drift too large 5.45159875596180 + 18.5180835782251 split increased to 2 itime 517317 + itsplit 1 + acceleration/energy drift too large 4.55455490539076 + 14.7463576593996 split increased to 2 itime 517322 + itsplit 1 + acceleration/energy drift too large 5.27560899024421 + 13.4634524855430 split increased to 2 itime 517329 + itsplit 1 + acceleration/energy drift too large 3.79898697287969 + 13.5417032333128 split increased to 2 itime 517332 + itsplit 1 + acceleration/energy drift too large 3.08504290932879 + 10.6601394350086 split increased to 2 itime 517339 + itsplit 1 + acceleration/energy drift too large 2.37603168964617 + 12.5844220606046 split increased to 2 itime 520358 + itsplit 1 + acceleration/energy drift too large 3.32873269198684 + 15.1015445544590 split increased to 2 itime 523336 + itsplit 1 + acceleration/energy drift too large 2.60979726024562 + 10.9126520420714 split increased to 2 itime 525819 + itsplit 1 + acceleration/energy drift too large 5.07575040208828 + 11.6821543637996 split increased to 2 itime 529018 + itsplit 1 + acceleration/energy drift too large 4.20209240193991 + 10.9130647133098 split increased to 2 itime 529975 + itsplit 1 + acceleration/energy drift too large 13.4082027926156 + 73.6558333036112 split increased to 2 itime 529992 + itsplit 1 + acceleration/energy drift too large 3.80119032501309 + 11.0699009840681 split increased to 2 itime 530232 + itsplit 1 + acceleration/energy drift too large 2.98605614779717 + 10.6724572554363 split increased to 2 itime 533054 + itsplit 1 + acceleration/energy drift too large 9.57394826980568 + 42.9715071694810 split increased to 2 itime 533992 + itsplit 1 + acceleration/energy drift too large 4.02730862918485 + 14.8626080714087 split increased to 2 itime 534372 + itsplit 1 + acceleration/energy drift too large 3.46246317816392 + 10.0454823044400 split increased to 2 itime 537465 + itsplit 1 + acceleration/energy drift too large 4.04660294147892 + 15.9914207930171 split increased to 2 itime 537700 + itsplit 1 + acceleration/energy drift too large 5.55080564240151 + 16.3683074359074 split increased to 2 itime 537911 + itsplit 1 + acceleration/energy drift too large 6.63989027623059 + 29.8565402920517 split increased to 2 itime 539565 + itsplit 1 + acceleration/energy drift too large 2.81050018221707 + 11.6060182178007 split increased to 2 itime 539566 + itsplit 1 + acceleration/energy drift too large 5.95284111627369 + 14.0649950692351 split increased to 2 itime 540302 + itsplit 1 + acceleration/energy drift too large 7.09360729157836 + 10.7262803198705 split increased to 2 itime 540410 + itsplit 1 + acceleration/energy drift too large 5.63880785662400 + 11.0318395926678 split increased to 2 itime 545890 + itsplit 1 + acceleration/energy drift too large 2.49437492343314 + 10.0347659241073 split increased to 2 itime 546807 + itsplit 1 + acceleration/energy drift too large 3.63743535995864 + 10.0076749866076 split increased to 2 itime 547449 + itsplit 1 + acceleration/energy drift too large 3.95117335442258 + 10.4167672025112 split increased to 2 itime 547488 + itsplit 1 + acceleration/energy drift too large 4.74935729339690 + 12.9214419287871 split increased to 2 itime 548129 + itsplit 1 + acceleration/energy drift too large 10.0884893980159 + 41.2438904906627 split increased to 2 itime 550487 + itsplit 1 + acceleration/energy drift too large 4.71146897940437 + 14.2887898261252 split increased to 2 itime 552582 + itsplit 1 + acceleration/energy drift too large 3.62359574299086 + 11.3104932815932 split increased to 2 itime 557420 + itsplit 1 + acceleration/energy drift too large 2.86531866870884 + 18.2563479095014 split increased to 2 itime 560575 + itsplit 1 + acceleration/energy drift too large 9.07946034675849 + 40.3637864993900 split increased to 2 itime 560775 + itsplit 1 + acceleration/energy drift too large 4.92664549662622 + 17.8262044491680 split increased to 2 itime 561676 + itsplit 1 + acceleration/energy drift too large 3.63167671454263 + 21.3158140084775 split increased to 2 itime 562488 + itsplit 1 + acceleration/energy drift too large 6.14833937579058 + 19.0284321531864 split increased to 2 itime 564835 + itsplit 1 + acceleration/energy drift too large 5.31218597606807 + 27.5206834052218 split increased to 2 itime 565752 + itsplit 1 + acceleration/energy drift too large 3.94915216318044 + 13.8232331522680 split increased to 2 itime 565965 + itsplit 1 + acceleration/energy drift too large 6.56317583403199 + 27.8624290733322 split increased to 2 itime 566005 + itsplit 1 + acceleration/energy drift too large 6.05701461196987 + 26.0334320096697 split increased to 2 itime 566031 + itsplit 1 + acceleration/energy drift too large 7.44675016186477 + 18.6865454596865 split increased to 2 itime 567409 + itsplit 1 + acceleration/energy drift too large 4.81307184554761 + 22.8714744854257 split increased to 2 itime 568270 + itsplit 1 + acceleration/energy drift too large 3.75155236127697 + 11.6470422075794 split increased to 2 itime 569317 + itsplit 1 + acceleration/energy drift too large 3.67570471140136 + 11.0474518031134 split increased to 2 itime 569475 + itsplit 1 + acceleration/energy drift too large 1.87697756897298 + 14.8192601672599 split increased to 2 itime 570696 + itsplit 1 + acceleration/energy drift too large 5.56461665357079 + 22.0407419031899 split increased to 2 itime 570949 + itsplit 1 + acceleration/energy drift too large 5.36236926383735 + 19.6472550812229 split increased to 2 itime 571178 + itsplit 1 + acceleration/energy drift too large 6.43929639997378 + 30.0854308657386 split increased to 2 itime 571738 + itsplit 1 + acceleration/energy drift too large 3.69808561086469 + 23.9746737579481 split increased to 2 itime 573027 + itsplit 1 + acceleration/energy drift too large 2.38671373076949 + 11.6830570094362 split increased to 2 itime 574471 + itsplit 1 + acceleration/energy drift too large 6.41069769738161 + 20.2369633875372 split increased to 2 itime 575110 + itsplit 1 + acceleration/energy drift too large 5.82872781088437 + 19.9537898261134 split increased to 2 itime 575320 + itsplit 1 + acceleration/energy drift too large 4.97331465591048 + 11.5439871796580 split increased to 2 itime 575654 + itsplit 1 + acceleration/energy drift too large 5.83891992281162 + 37.1804672026027 split increased to 2 itime 576539 + itsplit 1 + acceleration/energy drift too large 4.98708412964233 + 11.3260585633133 split increased to 2 itime 576964 + itsplit 1 + acceleration/energy drift too large 4.31776881096963 + 16.0826320045904 split increased to 2 itime 577008 + itsplit 1 + acceleration/energy drift too large 3.28643854525381 + 16.9459737999462 split increased to 2 itime 577532 + itsplit 1 + acceleration/energy drift too large 2.95839716723756 + 19.2974267331848 split increased to 2 itime 578299 + itsplit 1 + acceleration/energy drift too large 5.81997251798191 + 15.6667366752339 split increased to 2 itime 578493 + itsplit 1 + acceleration/energy drift too large 3.48459178352279 + 14.9266720901950 split increased to 2 itime 579225 + itsplit 1 + acceleration/energy drift too large 13.7251441580511 + 83.1693201180353 split increased to 2 itime 581689 + itsplit 1 + acceleration/energy drift too large 3.50760731700830 + 11.6473558376562 split increased to 2 itime 582007 + itsplit 1 + acceleration/energy drift too large 3.27923255810349 + 17.2739375586633 split increased to 2 itime 582044 + itsplit 1 + acceleration/energy drift too large 2.32086410732743 + 11.7303843680063 split increased to 2 itime 582131 + itsplit 1 + acceleration/energy drift too large 1.64687033180033 + 13.0770532939428 split increased to 2 itime 583017 + itsplit 1 + acceleration/energy drift too large 7.15685786998817 + 23.9896443636178 split increased to 2 itime 583555 + itsplit 1 + acceleration/energy drift too large 2.43675816113552 + 14.4562072529101 split increased to 2 itime 583556 + itsplit 1 + acceleration/energy drift too large 2.61012515337766 + 21.3193850112083 split increased to 2 itime 584130 + itsplit 1 + acceleration/energy drift too large 2.77317764221896 + 15.5157664619331 split increased to 2 itime 586140 + itsplit 1 + acceleration/energy drift too large 2.41866022202931 + 10.5865252856427 split increased to 2 itime 586233 + itsplit 1 + acceleration/energy drift too large 6.02950707449041 + 22.3707802562223 split increased to 2 itime 586933 + itsplit 1 + acceleration/energy drift too large 5.13643172748779 + 15.7264187094901 split increased to 2 itime 587066 + itsplit 1 + acceleration/energy drift too large 2.86565350779000 + 14.0258079763188 split increased to 2 itime 587267 + itsplit 1 + acceleration/energy drift too large 3.60748899172053 + 16.6118182660075 split increased to 2 itime 587522 + itsplit 1 + acceleration/energy drift too large 2.89715010258460 + 15.4734431709545 split increased to 2 itime 587715 + itsplit 1 + acceleration/energy drift too large 2.73624002781895 + 11.3659808582786 split increased to 2 itime 589283 + itsplit 1 + acceleration/energy drift too large 4.63314860651889 + 19.5059934063783 split increased to 2 itime 589423 + itsplit 1 + acceleration/energy drift too large 3.78841225335529 + 11.7407192292669 split increased to 2 itime 589439 + itsplit 1 + acceleration/energy drift too large 3.43705033943645 + 13.2359207393840 split increased to 2 itime 589707 + itsplit 1 + acceleration/energy drift too large 6.01090090755401 + 16.9237582489499 split increased to 2 itime 589773 + itsplit 1 + acceleration/energy drift too large 6.08372077980445 + 14.8411270843003 split increased to 2 itime 589780 + itsplit 1 + acceleration/energy drift too large 2.47645235877464 + 16.0610479982983 split increased to 2 itime 589781 + itsplit 1 + acceleration/energy drift too large 3.83621357893593 + 16.0376715411910 split increased to 2 itime 593076 + itsplit 1 + acceleration/energy drift too large 2.86916728074083 + 18.4363552986017 split increased to 2 itime 593480 + itsplit 1 + acceleration/energy drift too large 3.98869822545720 + 17.7868674122062 split increased to 2 itime 594524 + itsplit 1 + acceleration/energy drift too large 4.63749766789932 + 16.0839694610795 split increased to 2 itime 594574 + itsplit 1 + acceleration/energy drift too large 2.41391982523621 + 14.7971190021264 split increased to 2 itime 595027 + itsplit 1 + acceleration/energy drift too large 3.00813134160393 + 10.8179363274071 split increased to 2 itime 595453 + itsplit 1 + acceleration/energy drift too large 5.48395278199503 + 20.7136169943632 split increased to 2 itime 596064 + itsplit 1 + acceleration/energy drift too large 3.51163075698958 + 12.5492787586556 split increased to 2 itime 596076 + itsplit 1 + acceleration/energy drift too large 4.66035840547395 + 11.3375348174304 split increased to 2 itime 597469 + itsplit 1 + acceleration/energy drift too large 3.93737093129494 + 16.6011628452674 split increased to 2 itime 597474 + itsplit 1 + acceleration/energy drift too large 4.02003887033967 + 12.4515520434023 split increased to 2 itime 597660 + itsplit 1 + acceleration/energy drift too large 3.16871837796467 + 13.3445464973711 split increased to 2 itime 597685 + itsplit 1 + acceleration/energy drift too large 2.63213636543151 + 11.6412359757452 split increased to 2 itime 599844 + itsplit 1 REMD synchro at 600000 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= 223.453125000000 0.000000000000000E+000 + REMD gather times= 277.093750000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 7.812500000000000E-003 - REMD exchange temp,ene - 1 320.00000 -29.48477 - -36.52666 31.94333 -61.22262 -44.09779 0.00000 0.00000 - 2.37741 14.11744 -3.80325 0.00000 -31.72708 80.83570 - 7.01537 0.19329 0.00000 -27.05699 19.91128 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 260.00000 -54.26223 - -46.96860 50.10074 -98.25793 -72.75355 0.00000 0.00000 - -4.58176 18.28506 -6.08678 0.00000 -29.85893 81.37371 - 8.58771 0.84902 0.00000 -34.39823 19.73499 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 270.00000 -52.97749 - -46.10165 42.04555 -79.17813 -57.65507 0.00000 0.00000 - 0.21906 16.35009 -2.98889 0.00000 -29.56936 65.00011 - 7.35726 -0.82398 0.00000 -25.26260 15.49073 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 250.00000 -56.91604 - -49.45542 59.41398 -117.78642 -85.80870 0.00000 0.00000 - -5.15665 20.44757 -1.23662 0.00000 -32.83238 82.25546 - 8.97273 0.43862 0.00000 21.99849 18.78316 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 310.00000 -30.31740 - -40.42527 25.86496 -36.16179 -24.93121 0.00000 0.00000 - 0.49238 9.31588 -0.82691 0.00000 -30.78222 70.50821 - 3.19817 0.40274 0.00000 -31.65778 24.22747 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 290.00000 -32.02804 - -35.90065 36.98446 -73.56563 -53.48945 0.00000 0.00000 - -1.34140 16.44279 -4.98472 0.00000 -31.29515 91.18206 - 5.85931 1.12318 0.00000 -26.71063 20.79180 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 300.00000 -26.29053 - -31.76069 24.60316 -39.66943 -25.53503 0.00000 0.00000 - 2.22108 9.04003 -1.18656 0.00000 -28.92052 82.06419 - 6.98241 -0.17639 0.00000 -25.90128 10.93265 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 280.00000 -46.99474 - -39.87279 43.21948 -87.50633 -65.85565 0.00000 0.00000 - -0.79862 17.33690 -0.92139 0.00000 -33.93619 102.97589 - 9.43469 -2.08056 0.00000 -3.49661 10.82034 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 330.00000 -27.60859 - -40.35113 22.53113 -26.67770 -18.09045 0.00000 0.00000 - 5.99092 7.71043 4.25260 0.00000 -27.22312 79.54487 - 5.23779 -1.99884 0.00000 -32.78154 15.55739 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 400.00000 -10.61885 - -36.70980 22.08380 -22.57474 -13.75765 0.00000 0.00000 - -2.34913 6.77599 1.57320 0.00000 -21.72450 77.91555 - 0.95631 0.16082 0.00000 -27.16422 25.73165 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 350.00000 -35.26255 - -42.02008 23.25464 -31.29363 -20.68149 0.00000 0.00000 - 1.14271 8.98484 0.11531 0.00000 -24.53130 63.26367 - 4.83295 -1.45856 0.00000 -27.56324 12.52383 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 340.00000 -17.29825 - -34.83266 22.64181 -23.25224 -14.77692 0.00000 0.00000 - 7.81488 6.20572 5.32749 0.00000 -21.68140 80.77137 - 2.16072 -0.96321 0.00000 -31.59187 13.81993 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 390.00000 -13.28680 - -32.79510 16.64566 -11.69613 -7.60199 0.00000 0.00000 - 5.23489 2.95949 5.61024 0.00000 -23.42163 82.53349 - 2.88590 1.81088 0.00000 -22.66147 16.64952 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 360.00000 -13.30640 - -36.29057 23.26581 -20.93494 -11.50562 0.00000 0.00000 - 10.26055 2.03859 7.91089 0.00000 -22.19198 96.95821 - 2.46786 -1.99204 0.00000 -26.98316 18.45157 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 370.00000 -16.11788 - -31.70443 22.83022 -30.00856 -18.03166 0.00000 0.00000 - 0.36895 8.52664 3.15549 0.00000 -28.20804 67.50380 - 4.26876 0.12271 0.00000 -25.11169 18.36307 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 380.00000 12.80397 - -23.92715 15.24858 -13.82821 -8.82677 0.00000 0.00000 - 6.26276 3.99388 3.71615 0.00000 -19.23178 119.92317 - 3.50524 0.82055 0.00000 -23.22241 22.92043 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 4 - i 4 nupa(0,i) 1 - i 4 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 12 nupa(0,i) 1 - i 12 nupa(0,i) 1 - i 12 nupa(0,i) 1 - i 12 nupa(0,i) 1 - i 12 nupa(0,i) 1 - i 13 nupa(0,i) 1 + REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.50000 6 -ACC 2 260.00000 0.66667 6 -ACC 3 270.00000 0.66667 6 -ACC 4 280.00000 0.50000 6 -ACC 5 290.00000 0.66667 6 +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 1.00000 6 -ACC 8 320.00000 0.16667 6 -ACC 9 330.00000 0.66667 6 -ACC 10 340.00000 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 0.50000 6 +ACC 13 370.00000 0.83333 6 ACC 14 380.00000 0.83333 6 ACC 15 390.00000 0.83333 6 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 1.171875000000000E-002 + 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 + itsplit 1 + acceleration/energy drift too large 3.44497706677758 + 13.3478903836961 split increased to 2 itime 604773 + itsplit 1 + acceleration/energy drift too large 5.28734884359665 + 31.9169402442888 split increased to 2 itime 604922 + itsplit 1 + acceleration/energy drift too large 5.83948179762637 + 20.1510828891808 split increased to 2 itime 604956 + itsplit 1 + acceleration/energy drift too large 3.58154961261564 + 29.5493332576752 split increased to 2 itime 605157 + itsplit 1 + acceleration/energy drift too large 3.21590251787873 + 11.9840988297477 split increased to 2 itime 605187 + itsplit 1 + acceleration/energy drift too large 3.39344636872984 + 13.3225561141630 split increased to 2 itime 606060 + itsplit 1 + acceleration/energy drift too large 3.28524809087988 + 11.0463691404064 split increased to 2 itime 606158 + itsplit 1 + acceleration/energy drift too large 2.46838488797357 + 11.3078408273286 split increased to 2 itime 606500 + itsplit 1 + acceleration/energy drift too large 3.06744166322062 + 17.1474926660124 split increased to 2 itime 606669 + itsplit 1 + acceleration/energy drift too large 4.64026065121936 + 14.2522661116315 split increased to 2 itime 606702 + itsplit 1 + acceleration/energy drift too large 3.16764544630323 + 11.7583156065221 split increased to 2 itime 606726 + itsplit 1 + acceleration/energy drift too large 4.66786541890788 + 10.9822644946310 split increased to 2 itime 606727 + itsplit 1 + acceleration/energy drift too large 4.74019081154017 + 23.8003662942331 split increased to 2 itime 607510 + itsplit 1 + acceleration/energy drift too large 4.66236926285537 + 29.1085087213740 split increased to 2 itime 607578 + itsplit 1 + acceleration/energy drift too large 2.77756234896973 + 17.7868745705893 split increased to 2 itime 607692 + itsplit 1 + acceleration/energy drift too large 2.84883714639050 + 19.9478553482221 split increased to 2 itime 608312 + itsplit 1 + acceleration/energy drift too large 3.53160122879718 + 12.5962899897486 split increased to 2 itime 608387 + itsplit 1 + acceleration/energy drift too large 2.33385373566345 + 10.1024071661288 split increased to 2 itime 608415 + itsplit 1 + acceleration/energy drift too large 5.56107298895505 + 30.6517930214951 split increased to 2 itime 609168 + itsplit 1 + acceleration/energy drift too large 5.50582967897067 + 23.0723098916497 split increased to 2 itime 610951 + itsplit 1 + acceleration/energy drift too large 5.08559012744575 + 20.2368257655558 split increased to 2 itime 611276 + itsplit 1 + acceleration/energy drift too large 5.48599512431033 + 21.2366813104581 split increased to 2 itime 611412 + itsplit 1 + acceleration/energy drift too large 4.28485971507573 + 14.9819523147081 split increased to 2 itime 612726 + itsplit 1 + acceleration/energy drift too large 4.41954986475502 + 15.9390654926144 split increased to 2 itime 612752 + itsplit 1 + acceleration/energy drift too large 6.38121746961199 + 18.4983527608401 split increased to 2 itime 613048 + itsplit 1 + acceleration/energy drift too large 5.31948613696339 + 36.0415184689782 split increased to 2 itime 613340 + itsplit 1 + acceleration/energy drift too large 5.94743040221702 + 25.2530087626529 split increased to 2 itime 613546 + itsplit 1 + acceleration/energy drift too large 5.44936880944909 + 12.7232886367468 split increased to 2 itime 617290 + itsplit 1 + acceleration/energy drift too large 4.12066793546654 + 15.8114240724834 split increased to 2 itime 618143 + itsplit 1 + acceleration/energy drift too large 10.8229962009036 + 66.6991359723763 split increased to 2 itime 618419 + itsplit 1 + acceleration/energy drift too large 5.48929827706529 + 13.8706077252812 split increased to 2 itime 618622 + itsplit 1 + acceleration/energy drift too large 4.70070977011950 + 18.2789850053721 split increased to 2 itime 619186 + itsplit 1 + acceleration/energy drift too large 7.05546238999264 + 17.4773737794607 split increased to 2 itime 619640 + itsplit 1 + acceleration/energy drift too large 3.82522694402992 + 15.2087412727628 split increased to 2 itime 619907 + itsplit 1 + acceleration/energy drift too large 4.49011694859123 + 10.3650071973379 split increased to 2 itime 621584 + itsplit 1 + acceleration/energy drift too large 3.18478992178142 + 17.9840849716397 split increased to 2 itime 622186 + itsplit 1 + acceleration/energy drift too large 4.44770134326738 + 16.0218159993251 split increased to 2 itime 623026 + itsplit 1 + acceleration/energy drift too large 3.57316351360784 + 11.0399025516856 split increased to 2 itime 623284 + itsplit 1 + acceleration/energy drift too large 6.51212376695020 + 16.4470187761603 split increased to 2 itime 623992 + itsplit 1 + acceleration/energy drift too large 11.5112229520201 + 47.7420705103172 split increased to 2 itime 625061 + itsplit 1 + acceleration/energy drift too large 2.84191768254016 + 11.8704055174515 split increased to 2 itime 625062 + itsplit 1 + acceleration/energy drift too large 2.38963857434066 + 17.1227200350575 split increased to 2 itime 625202 + itsplit 1 + acceleration/energy drift too large 3.15468649133609 + 11.0545510277622 split increased to 2 itime 626338 + itsplit 1 + acceleration/energy drift too large 8.41484172183330 + 39.7728346210958 split increased to 2 itime 626484 + itsplit 1 + acceleration/energy drift too large 5.17975557333606 + 20.8879377082388 split increased to 2 itime 627187 + itsplit 1 + acceleration/energy drift too large 4.32563097210714 + 12.7214110850306 split increased to 2 itime 627845 + itsplit 1 + acceleration/energy drift too large 5.72519385479251 + 14.2079521774683 split increased to 2 itime 628147 + itsplit 1 + acceleration/energy drift too large 3.15041265214688 + 13.3229627870387 split increased to 2 itime 628201 + itsplit 1 + acceleration/energy drift too large 1.56911078218525 + 10.1520272384926 split increased to 2 itime 628259 + itsplit 1 + acceleration/energy drift too large 5.43514594073498 + 27.9586512562069 split increased to 2 itime 628391 + itsplit 1 + acceleration/energy drift too large 2.49825465329791 + 11.5826569348256 split increased to 2 itime 629720 + itsplit 1 + acceleration/energy drift too large 1.77730857956000 + 10.1411844054756 split increased to 2 itime 629749 + itsplit 1 + acceleration/energy drift too large 2.77029335537128 + 10.1796357188216 split increased to 2 itime 629849 + itsplit 1 + acceleration/energy drift too large 5.77958538136666 + 40.8766887743410 split increased to 2 itime 633917 + itsplit 1 + acceleration/energy drift too large 1.88144448230143 + 14.2637064350191 split increased to 2 itime 635772 + itsplit 1 + acceleration/energy drift too large 4.85708982862033 + 17.3666863847327 split increased to 2 itime 635797 + itsplit 1 + acceleration/energy drift too large 3.55146321580549 + 17.1834126790529 split increased to 2 itime 635798 + itsplit 1 + acceleration/energy drift too large 3.66981776368006 + 11.6894397266654 split increased to 2 itime 635810 + itsplit 1 + acceleration/energy drift too large 4.56604565392761 + 10.1426429243147 split increased to 2 itime 636472 + itsplit 1 + acceleration/energy drift too large 6.13617227675648 + 11.3999939620802 split increased to 2 itime 636710 + itsplit 1 + acceleration/energy drift too large 3.26669422548217 + 12.2932157764686 split increased to 2 itime 637150 + itsplit 1 + acceleration/energy drift too large 6.28056261063517 + 17.4945844289190 split increased to 2 itime 637775 + itsplit 1 + acceleration/energy drift too large 2.41428610136795 + 14.3477979053652 split increased to 2 itime 638602 + itsplit 1 + acceleration/energy drift too large 3.76488202050720 + 14.4382862311066 split increased to 2 itime 638814 + itsplit 1 + acceleration/energy drift too large 6.97287755725406 + 19.3639245743751 split increased to 2 itime 639150 + itsplit 1 + acceleration/energy drift too large 3.38991473469239 + 10.8684027630085 split increased to 2 itime 639783 + itsplit 1 + acceleration/energy drift too large 3.14810670305785 + 10.1212822720815 split increased to 2 itime 640070 + itsplit 1 + acceleration/energy drift too large 4.27011376107737 + 17.4231912659989 split increased to 2 itime 641887 + itsplit 1 + acceleration/energy drift too large 4.28406733010742 + 10.4413056285839 split increased to 2 itime 643579 + itsplit 1 + acceleration/energy drift too large 2.22016379399136 + 10.3017664662474 split increased to 2 itime 643663 + itsplit 1 + acceleration/energy drift too large 5.61748082695504 + 16.8716114529201 split increased to 2 itime 644009 + itsplit 1 + acceleration/energy drift too large 3.04040585700705 + 11.0743266877611 split increased to 2 itime 644346 + itsplit 1 + acceleration/energy drift too large 2.11636150081620 + 10.6676810829781 split increased to 2 itime 644349 + itsplit 1 + acceleration/energy drift too large 4.21572061183930 + 12.9897704110125 split increased to 2 itime 644351 + itsplit 1 + acceleration/energy drift too large 2.61165220512462 + 12.8561737788437 split increased to 2 itime 644426 + itsplit 1 + acceleration/energy drift too large 3.65470321033608 + 13.1009573903030 split increased to 2 itime 644428 + itsplit 1 + acceleration/energy drift too large 5.40754308168593 + 11.4013108590464 split increased to 2 itime 644436 + itsplit 1 + acceleration/energy drift too large 3.34686269150225 + 10.7855866694973 split increased to 2 itime 644478 + itsplit 1 + acceleration/energy drift too large 3.23594427010844 + 14.0943415362550 split increased to 2 itime 645003 + itsplit 1 + acceleration/energy drift too large 3.14503191883026 + 15.0469644122339 split increased to 2 itime 645629 + itsplit 1 + acceleration/energy drift too large 2.64583167655565 + 10.8687910937071 split increased to 2 itime 645631 + 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= 260.054687500000 0.000000000000000E+000 - REMD writing rst time= 7.812500000000000E-003 - REMD writing traj time= 0.000000000000000E+000 - REMD exchange temp,ene - 1 310.00000 -33.42278 - -34.57132 26.29596 -47.10517 -32.72607 0.00000 0.00000 - 1.12648 11.54213 0.50164 0.00000 -29.68884 69.60084 - 5.28274 -1.97676 0.00000 -30.09344 17.03038 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 250.00000 -74.27546 - -49.80754 59.43776 -119.78657 -87.61707 0.00000 0.00000 - -5.63912 20.72624 -1.63075 0.00000 -29.85917 64.67974 - 8.67067 -1.15766 0.00000 5.93085 9.40441 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 280.00000 -46.71745 - -38.95490 44.65580 -95.36729 -70.31765 0.00000 0.00000 - -1.04239 19.33641 -5.25992 0.00000 -31.07810 69.56752 - 7.85250 -0.49196 0.00000 -3.03226 17.93464 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 260.00000 -66.05960 - -48.36138 52.78668 -100.21203 -73.03212 0.00000 0.00000 - -7.13729 15.66837 -5.20348 0.00000 -33.53070 78.97032 - 8.53241 2.84413 0.00000 -24.78521 12.08537 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 300.00000 -39.70552 - -39.67331 43.34528 -94.76953 -65.31982 0.00000 0.00000 - 3.65237 20.05990 -2.65829 0.00000 -31.85232 68.81058 - 9.97967 0.35624 0.00000 -2.31222 13.01675 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 290.00000 -36.10482 - -35.75961 40.46675 -83.78131 -60.57093 0.00000 0.00000 - -2.35531 18.14423 -5.50392 0.00000 -33.31695 79.94796 - 7.16690 0.87259 0.00000 -24.66167 20.88140 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 330.00000 -32.43657 - -37.08832 25.80384 -42.05626 -27.74655 0.00000 0.00000 - 1.22560 9.39085 -3.44986 0.00000 -30.15427 103.92556 - 5.01838 1.29175 0.00000 -23.63020 11.27907 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 270.00000 -50.79075 - -41.92464 46.83160 -91.27008 -65.81932 0.00000 0.00000 - 0.17358 18.29421 -3.58093 0.00000 -31.60855 92.51940 - 8.80380 -1.80346 0.00000 -1.14053 8.39387 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 320.00000 -23.12542 - -36.95548 26.66483 -42.70125 -29.70161 0.00000 0.00000 - 6.46954 10.83705 -0.85992 0.00000 -29.87348 79.41444 - 5.91670 -0.69749 0.00000 -32.53428 22.09491 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 390.00000 -10.39076 - -28.39206 22.10234 -33.19604 -21.66665 0.00000 0.00000 - 7.05022 7.88183 3.37652 0.00000 -26.11627 87.31457 - 3.93672 -1.73189 0.00000 -13.50664 18.91706 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 340.00000 -22.84966 - -31.51291 14.84070 -12.75079 -7.64553 0.00000 0.00000 - 12.80574 3.02796 6.15698 0.00000 -21.47899 78.45195 - 1.09186 -1.76796 0.00000 -21.74482 12.44027 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 380.00000 -8.96085 - -35.11268 23.57802 -29.49570 -18.08907 0.00000 0.00000 - 2.83624 8.89263 5.33577 0.00000 -23.65664 88.23637 - 3.81455 -1.28464 0.00000 -32.00640 21.66806 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 400.00000 -1.00690 - -25.94394 14.13956 -13.32407 -8.87029 0.00000 0.00000 - 7.66559 5.51912 4.75844 0.00000 -19.42506 99.79172 - 3.45274 -0.82167 0.00000 -22.75130 16.73616 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 350.00000 -39.26803 - -39.44177 25.28443 -36.84983 -25.94241 0.00000 0.00000 - 0.31541 9.38087 -1.34761 0.00000 -32.79726 78.89528 - 5.26760 0.34628 0.00000 -30.55142 11.35798 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 360.00000 -9.26880 - -31.60158 22.30394 -21.54931 -13.30926 0.00000 0.00000 - 10.91911 5.20782 2.72838 0.00000 -22.86735 90.76368 - 2.53001 -2.97362 0.00000 -25.43123 19.30030 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 370.00000 -8.47838 - -30.03360 22.49718 -25.67648 -17.20331 0.00000 0.00000 - 2.96407 5.44771 3.36558 0.00000 -24.02249 70.92442 - 2.98779 -0.58449 0.00000 -28.78093 22.83226 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 2 - i 2 nupa(0,i) 1 - i 2 nupa(0,i) 1 - i 8 nupa(0,i) 1 - i 8 nupa(0,i) 1 - i 8 nupa(0,i) 1 - i 8 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 9 nupa(0,i) 1 - i 9 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 1 - i 11 nupa(0,i) 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 0.57143 7 -ACC 2 260.00000 0.57143 7 -ACC 3 270.00000 0.71429 7 -ACC 4 280.00000 0.57143 7 -ACC 5 290.00000 0.71429 7 +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 0.85714 7 -ACC 8 320.00000 0.28571 7 -ACC 9 330.00000 0.57143 7 -ACC 10 340.00000 0.71429 7 -ACC 11 350.00000 1.00000 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 0.57143 7 +ACC 13 370.00000 0.85714 7 ACC 14 380.00000 0.85714 7 -ACC 15 390.00000 0.71429 7 +ACC 15 390.00000 0.85714 7 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 1.171875000000000E-002 + 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= 296.742187500000 0.000000000000000E+000 + REMD gather times= 370.496093750000 0.000000000000000E+000 REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 - REMD exchange temp,ene - 1 310.00000 -52.49833 - -48.37745 37.82871 -72.00472 -51.61994 0.00000 0.00000 - 0.23493 15.85599 -4.57230 0.00000 -31.74760 78.50573 - 7.57535 0.46560 0.00000 -32.05238 12.55596 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 260.00000 -59.29707 - -43.21135 54.38956 -116.10702 -86.88580 0.00000 0.00000 - -4.96415 19.71426 -0.74174 0.00000 -31.38887 77.87775 - 9.67441 -0.43111 0.00000 8.16927 14.65551 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 270.00000 -53.76897 - -42.97449 49.55885 -97.72094 -73.16096 0.00000 0.00000 - 0.06991 18.89783 -2.49466 0.00000 -31.82942 66.23884 - 9.09660 -1.86758 0.00000 -3.57471 13.50118 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 250.00000 -72.68176 - -50.03926 57.81799 -117.05389 -85.04568 0.00000 0.00000 - -6.73722 19.12879 -2.69983 0.00000 -31.01386 75.92890 - 9.65220 -0.40328 0.00000 -5.53452 11.85998 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 290.00000 -60.85591 - -46.62723 51.31358 -97.87794 -73.48270 0.00000 0.00000 - -3.04563 19.43540 -1.13641 0.00000 -33.97005 59.06330 - 9.40994 -2.03072 0.00000 -15.73724 7.86453 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 280.00000 -44.01388 - -41.92842 45.13767 -87.52059 -64.64334 0.00000 0.00000 - -4.31140 16.91594 -6.18912 0.00000 -33.94645 114.35557 - 8.82578 0.45439 0.00000 -33.19245 16.75537 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 320.00000 -24.59315 - -38.62707 31.39710 -43.04382 -29.60695 0.00000 0.00000 - 0.24817 10.27214 -2.42143 0.00000 -28.96968 81.22491 - 5.36197 -0.76295 0.00000 -36.47946 18.49806 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 300.00000 -48.43881 - -36.20358 35.98165 -74.98090 -53.94419 0.00000 0.00000 - -2.10876 14.95228 -2.81699 0.00000 -33.57096 74.96337 - 6.97557 0.57105 0.00000 -17.52302 10.24766 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 330.00000 -33.67005 - -43.34011 22.66659 -26.11090 -17.15574 0.00000 0.00000 - 2.29138 6.59472 2.95619 0.00000 -25.47026 78.10955 - 2.30244 -0.86801 0.00000 -31.98059 17.51968 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 380.00000 -24.60232 - -38.21119 26.83512 -43.10627 -29.94735 0.00000 0.00000 - -1.67108 11.64814 -0.21184 0.00000 -30.06568 95.53555 - 6.49576 0.93767 0.00000 -32.40274 14.62056 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 390.00000 -7.44293 - -28.52064 17.78334 -15.25472 -9.63419 0.00000 0.00000 - 9.58768 4.48583 5.85964 0.00000 -20.61842 64.38608 - 0.64848 -1.82127 0.00000 -25.27458 22.64652 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 370.00000 -21.33792 - -34.94474 20.06020 -24.11408 -15.93092 0.00000 0.00000 - 4.77495 6.29349 1.66720 0.00000 -31.31490 114.58734 - 4.94942 -0.34134 0.00000 -26.31570 15.96124 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 400.00000 -12.02457 - -31.23190 19.92443 -23.81837 -13.88831 0.00000 0.00000 - 0.25574 3.96865 1.40524 0.00000 -27.80764 67.96686 - 4.63725 1.56873 0.00000 -27.42387 25.15738 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 340.00000 -28.63071 - -40.36935 27.85752 -47.37034 -32.54372 0.00000 0.00000 - 1.99359 11.53253 -0.35031 0.00000 -25.86688 88.17472 - 6.30155 0.11180 0.00000 -24.34726 13.08387 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 350.00000 -14.09970 - -30.14658 14.35396 -10.07312 -6.43248 0.00000 0.00000 - 9.70050 4.03200 4.39393 0.00000 -22.38995 87.48430 - -0.61700 -3.19680 0.00000 -19.30418 22.08478 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 360.00000 -34.13228 - -42.18790 29.06076 -45.14172 -28.25711 0.00000 0.00000 - 0.72960 10.94698 -0.64706 0.00000 -31.89520 64.56453 - 4.76777 -0.49580 0.00000 -30.98457 20.58834 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 4 - i 4 nupa(0,i) 1 - i 2 nupa(0,i) 1 - i 2 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 6 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 7 nupa(0,i) 1 - i 11 nupa(0,i) 1 + REMD writing traj time= 7.812500000000000E-003 NREP 16 -ACC 1 250.00000 0.50000 8 -ACC 2 260.00000 0.62500 8 -ACC 3 270.00000 0.62500 8 -ACC 4 280.00000 0.62500 8 -ACC 5 290.00000 0.75000 8 +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 0.75000 8 -ACC 8 320.00000 0.37500 8 -ACC 9 330.00000 0.62500 8 -ACC 10 340.00000 0.75000 8 -ACC 11 350.00000 1.00000 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 0.62500 8 -ACC 14 380.00000 0.75000 8 -ACC 15 390.00000 0.75000 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= 3.906250000000000E-003 + 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 + itsplit 1 REMD synchro at 900000 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= 333.421875000000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 - REMD exchange temp,ene - 1 300.00000 -39.37142 - -37.70743 35.97951 -64.53458 -46.52604 0.00000 0.00000 - 1.29286 13.74948 -1.17868 0.00000 -33.06338 60.03777 - 9.35550 0.02174 0.00000 -28.83890 10.36921 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 2 270.00000 -59.99407 - -46.51840 56.13368 -111.72828 -84.80752 0.00000 0.00000 - -2.30849 19.62663 -3.53739 0.00000 -32.18469 66.00900 - 10.77934 0.61238 0.00000 -8.83552 11.21615 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 3 260.00000 -60.22198 - -47.14636 55.36500 -115.30851 -87.44252 0.00000 0.00000 - -1.39650 19.16449 -3.32154 0.00000 -26.87632 68.22081 - 8.91515 0.35871 0.00000 27.49956 14.17266 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 4 250.00000 -66.60792 - -47.14550 70.51424 -145.06757 -107.50309 0.00000 0.00000 - -6.86011 19.66899 -2.65886 0.00000 -24.59398 76.78230 - 9.78391 -0.43590 0.00000 40.10315 14.97280 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 5 280.00000 -44.62438 - -43.39274 43.14454 -82.07037 -59.44897 0.00000 0.00000 - -0.89613 17.24032 -4.82265 0.00000 -31.10450 61.26654 - 8.72172 -0.21603 0.00000 -26.10431 18.42467 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 6 310.00000 -36.29501 - -34.08181 33.39759 -61.45942 -44.06265 0.00000 0.00000 - -2.74212 13.86343 -4.63733 0.00000 -33.31958 68.85867 - 6.70004 0.97698 0.00000 -34.12209 14.31384 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 7 380.00000 -30.04251 - -35.83508 28.82301 -41.68265 -26.15827 0.00000 0.00000 - -1.84102 8.63517 -5.30698 0.00000 -30.96290 74.29149 - 5.02413 1.89398 0.00000 -36.59666 12.78514 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 8 290.00000 -37.65409 - -40.97977 38.87837 -75.43905 -55.37660 0.00000 0.00000 - -6.91800 15.80309 -5.00627 0.00000 -31.40494 69.35885 - 10.03633 0.67851 0.00000 -36.91622 20.41196 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 9 320.00000 -35.56073 - -42.58778 39.83165 -75.75042 -51.54869 0.00000 0.00000 - -0.60470 15.52617 1.21130 0.00000 -29.23253 88.89973 - 6.77978 -1.00132 0.00000 -28.40509 15.72459 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 10 370.00000 -24.10867 - -39.33594 26.92437 -40.16423 -26.08765 0.00000 0.00000 - -0.08859 8.98205 0.71417 0.00000 -27.82999 73.88459 - 7.51033 -0.63041 0.00000 -29.13454 17.23255 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 11 400.00000 9.65384 - -16.60610 7.82531 -2.72664 -1.53386 0.00000 0.00000 - 9.66527 2.88500 3.94553 0.00000 -19.16994 84.61275 - 1.87987 -0.77138 0.00000 -10.51505 23.31166 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 12 360.00000 -24.65039 - -34.26701 21.67900 -26.41217 -16.97926 0.00000 0.00000 - 4.93458 6.51143 0.41039 0.00000 -28.98993 81.23595 - 3.44857 0.84510 0.00000 -30.33421 15.58189 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 13 390.00000 -24.27906 - -38.12628 18.94223 -17.51700 -12.19844 0.00000 0.00000 - 11.00079 5.72643 4.51815 0.00000 -22.62970 94.92972 - 1.74748 -2.90717 0.00000 -28.00462 14.74256 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 14 330.00000 -36.31559 - -42.01580 32.38496 -49.41460 -34.72714 0.00000 0.00000 - 2.13074 10.93802 -3.31719 0.00000 -33.07663 84.10453 - 5.59560 0.19097 0.00000 -33.13366 16.51154 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 15 340.00000 -17.09580 - -29.46708 14.80565 -11.12296 -7.72990 0.00000 0.00000 - 10.56236 4.14100 3.15088 0.00000 -24.57611 83.85839 - 0.93299 -2.34285 0.00000 -19.39945 18.09069 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - 16 350.00000 -4.57197 - -22.76420 12.23913 -7.68931 -4.68817 0.00000 0.00000 - 8.84310 3.56951 4.42786 0.00000 -20.37785 97.14405 - -1.10495 -1.85407 0.00000 -16.26399 18.65316 0.00000 - 0.00000 0.00000 0.00000 0.00000 0.00000 - Enter exchnge, remd_m 1 nodes 16 - remd_m(1) 1 - i 4 - i 4 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 3 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 5 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 1 nupa(0,i) 1 - i 15 nupa(0,i) 1 - i 16 nupa(0,i) 1 - i 16 nupa(0,i) 1 - i 16 nupa(0,i) 1 - i 16 nupa(0,i) 1 - i 16 nupa(0,i) 1 + REMD gather times= 418.390625000000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.44444 9 -ACC 2 260.00000 0.66667 9 -ACC 3 270.00000 0.55556 9 +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 5 290.00000 0.66667 9 +ACC 5 290.00000 0.55556 9 ACC 6 300.00000 0.66667 9 -ACC 7 310.00000 0.77778 9 -ACC 8 320.00000 0.44444 9 -ACC 9 330.00000 0.55556 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 1.00000 9 +ACC 11 350.00000 0.88889 9 ACC 12 360.00000 1.00000 9 -ACC 13 370.00000 0.66667 9 -ACC 14 380.00000 0.77778 9 -ACC 15 390.00000 0.77778 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= 3.906250000000000E-003 + 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 + itsplit 1 + acceleration/energy drift too large 5.78554790892165 + 13.3256810833222 split increased to 2 itime 957878 + itsplit 1 + acceleration/energy drift too large 4.28220245111358 + 15.3967273379289 split increased to 2 itime 958129 + itsplit 1 + acceleration/energy drift too large 2.59652760530668 + 10.5648657320623 split increased to 2 itime 958132 + itsplit 1 + acceleration/energy drift too large 1.61451807329374 + 10.1009312963666 split increased to 2 itime 958156 + itsplit 1 + acceleration/energy drift too large 4.38502621693771 + 14.5845352689647 split increased to 2 itime 958186 + itsplit 1 + acceleration/energy drift too large 2.96708412321547 + 10.6613672710611 split increased to 2 itime 958187 + itsplit 1 + acceleration/energy drift too large 3.06719611040155 + 11.7033679886552 split increased to 2 itime 958227 + itsplit 1 + acceleration/energy drift too large 8.93361772328442 + 62.1165479749755 split increased to 2 itime 958771 + itsplit 1 + acceleration/energy drift too large 5.56652456694105 + 11.3826117183827 split increased to 2 itime 959119 + itsplit 1 + acceleration/energy drift too large 2.77236347499016 + 10.4981910074322 split increased to 2 itime 960636 + itsplit 1 + acceleration/energy drift too large 4.20826461807149 + 14.3474455133112 split increased to 2 itime 960906 + itsplit 1 + acceleration/energy drift too large 7.79055187860155 + 23.0283638090609 split increased to 2 itime 961278 + itsplit 1 + acceleration/energy drift too large 2.08464270723004 + 16.0700358356114 split increased to 2 itime 961279 + itsplit 1 + acceleration/energy drift too large 4.74153576939305 + 11.1674513052506 split increased to 2 itime 961769 + itsplit 1 + acceleration/energy drift too large 4.14293351474291 + 10.2796929589830 split increased to 2 itime 961778 + itsplit 1 + acceleration/energy drift too large 3.74774896649738 + 12.0458681041903 split increased to 2 itime 962089 + itsplit 1 + acceleration/energy drift too large 8.48233251900257 + 43.2608504669463 split increased to 2 itime 962328 + itsplit 1 + acceleration/energy drift too large 5.00786122772515 + 38.5047773715209 split increased to 2 itime 962814 + itsplit 1 + acceleration/energy drift too large 2.39871872120630 + 16.3473324869437 split increased to 2 itime 962982 + itsplit 1 + acceleration/energy drift too large 3.83535497728311 + 10.9887896007083 split increased to 2 itime 962998 + itsplit 1 + acceleration/energy drift too large 2.05005736932341 + 11.5738328241628 split increased to 2 itime 963040 + itsplit 1 + acceleration/energy drift too large 3.41430820574516 + 10.4186461791752 split increased to 2 itime 963531 + itsplit 1 + acceleration/energy drift too large 3.30147796988413 + 12.6161424537020 split increased to 2 itime 963973 + itsplit 1 + acceleration/energy drift too large 2.22865457728983 + 11.7879794116842 split increased to 2 itime 965816 + itsplit 1 + acceleration/energy drift too large 2.55782026615760 + 11.8343337239808 split increased to 2 itime 965823 + itsplit 1 + acceleration/energy drift too large 4.84338277650784 + 11.6605385158149 split increased to 2 itime 966604 + itsplit 1 + acceleration/energy drift too large 4.64082845912964 + 18.5574543760521 split increased to 2 itime 967752 + itsplit 1 + acceleration/energy drift too large 5.42513724717896 + 15.6169787496472 split increased to 2 itime 968137 + itsplit 1 + acceleration/energy drift too large 3.20713331812597 + 11.0249577903799 split increased to 2 itime 969259 + itsplit 1 + acceleration/energy drift too large 10.2488922477047 + 51.1617106475574 split increased to 2 itime 972063 + itsplit 1 + acceleration/energy drift too large 4.55227006439797 + 14.6621376387094 split increased to 2 itime 973887 + itsplit 1 + acceleration/energy drift too large 5.79576004251907 + 10.3245668021406 split increased to 2 itime 973997 + itsplit 1 + acceleration/energy drift too large 5.46864502256276 + 11.2835176046246 split increased to 2 itime 974894 + itsplit 1 + acceleration/energy drift too large 3.82748289729853 + 14.8961586863026 split increased to 2 itime 974895 + itsplit 1 + acceleration/energy drift too large 2.24583373569801 + 10.1235734121834 split increased to 2 itime 975129 + itsplit 1 + acceleration/energy drift too large 8.20787125800904 + 26.9269317401577 split increased to 2 itime 975502 + itsplit 1 + acceleration/energy drift too large 3.97383169777160 + 15.8069500769206 split increased to 2 itime 975508 + itsplit 1 + acceleration/energy drift too large 5.27863868887135 + 11.8628414616925 split increased to 2 itime 975765 + itsplit 1 + acceleration/energy drift too large 2.52486758311415 + 12.0397478927813 split increased to 2 itime 975821 + itsplit 1 + acceleration/energy drift too large 3.94825550639467 + 11.6884111118321 split increased to 2 itime 975826 + itsplit 1 + acceleration/energy drift too large 4.42558661268700 + 18.5132758329079 split increased to 2 itime 977032 + itsplit 1 + acceleration/energy drift too large 3.29614207087839 + 12.0045314129445 split increased to 2 itime 978069 + itsplit 1 + acceleration/energy drift too large 3.47890541763180 + 11.1434369573966 split increased to 2 itime 978098 + itsplit 1 + acceleration/energy drift too large 6.55259268269142 + 30.8370102170399 split increased to 2 itime 978602 + itsplit 1 + acceleration/energy drift too large 2.94019769238794 + 10.1429174242077 split increased to 2 itime 979570 + itsplit 1 + acceleration/energy drift too large 5.90574632060437 + 22.9355639323596 split increased to 2 itime 979722 + itsplit 1 + acceleration/energy drift too large 2.73058838083181 + 10.3239075325505 split increased to 2 itime 980215 + itsplit 1 + acceleration/energy drift too large 3.58505527635360 + 10.6673710400190 split increased to 2 itime 980284 + itsplit 1 + acceleration/energy drift too large 7.03288997449475 + 36.1844328451115 split increased to 2 itime 980409 + itsplit 1 + acceleration/energy drift too large 5.21164852666080 + 30.6486759594224 split increased to 2 itime 981759 + itsplit 1 + acceleration/energy drift too large 5.36080237136695 + 12.2103086903814 split increased to 2 itime 982775 + itsplit 1 + acceleration/energy drift too large 4.57893384842436 + 15.4567936435162 split increased to 2 itime 982887 + itsplit 1 + acceleration/energy drift too large 2.06884256824741 + 13.0885150320346 split increased to 2 itime 983184 + itsplit 1 + acceleration/energy drift too large 7.62805236934620 + 24.6153125398548 split increased to 2 itime 983465 + itsplit 1 + acceleration/energy drift too large 5.55554314126233 + 35.8105646676478 split increased to 2 itime 983478 + itsplit 1 + acceleration/energy drift too large 3.71941446628352 + 10.6607602772641 split increased to 2 itime 983479 + itsplit 1 + acceleration/energy drift too large 4.68334213163411 + 23.6807500448967 split increased to 2 itime 983492 + itsplit 1 + acceleration/energy drift too large 4.49771787303815 + 11.8986687315346 split increased to 2 itime 983870 + itsplit 1 + acceleration/energy drift too large 3.53416897872721 + 12.0662969455353 split increased to 2 itime 984005 + itsplit 1 + acceleration/energy drift too large 7.50040157925854 + 33.9637754075882 split increased to 2 itime 984064 + itsplit 1 + acceleration/energy drift too large 6.76739633076494 + 11.5881989924572 split increased to 2 itime 984474 + itsplit 1 + acceleration/energy drift too large 5.83730629901757 + 34.8697292829203 split increased to 2 itime 984601 + itsplit 1 + acceleration/energy drift too large 2.85894760292279 + 12.1272024733112 split increased to 2 itime 985458 + itsplit 1 + acceleration/energy drift too large 4.16053886804174 + 10.8952614714032 split increased to 2 itime 986206 + itsplit 1 + acceleration/energy drift too large 2.62650039395365 + 10.4790943792781 split increased to 2 itime 986258 + itsplit 1 + acceleration/energy drift too large 3.41783660885226 + 13.9379720024929 split increased to 2 itime 986573 + itsplit 1 + acceleration/energy drift too large 5.00402058314798 + 14.5425624069117 split increased to 2 itime 986896 + itsplit 1 + acceleration/energy drift too large 2.54682746581876 + 11.4881415595367 split increased to 2 itime 986897 + itsplit 1 + acceleration/energy drift too large 2.56483516846129 + 11.9751650710013 split increased to 2 itime 987003 + itsplit 1 + acceleration/energy drift too large 3.24258291378299 + 11.0498770434785 split increased to 2 itime 987007 + itsplit 1 + acceleration/energy drift too large 4.44801738824107 + 10.9817200839115 split increased to 2 itime 987933 + itsplit 1 + acceleration/energy drift too large 6.47953793889234 + 16.8762767054426 split increased to 2 itime 987939 + itsplit 1 + acceleration/energy drift too large 2.74131846282361 + 11.9739061953253 split increased to 2 itime 987940 + itsplit 1 + acceleration/energy drift too large 5.21884756257283 + 16.0146323195793 split increased to 2 itime 988156 + itsplit 1 + acceleration/energy drift too large 6.98303064757951 + 52.5269086138375 split increased to 2 itime 988653 + itsplit 1 + acceleration/energy drift too large 7.44371664691160 + 17.1999209717626 split increased to 2 itime 988717 + itsplit 1 + acceleration/energy drift too large 3.41518530570218 + 11.7230712241242 split increased to 2 itime 989243 + itsplit 1 + acceleration/energy drift too large 4.86997826218766 + 23.7042923467332 split increased to 2 itime 989645 + itsplit 1 + acceleration/energy drift too large 6.56861396867082 + 16.3197831423529 split increased to 2 itime 989687 + itsplit 1 + acceleration/energy drift too large 3.47814528665630 + 10.1964822142602 split increased to 2 itime 989802 + itsplit 1 + acceleration/energy drift too large 5.83205218997564 + 31.6207589582694 split increased to 2 itime 990836 + itsplit 1 + acceleration/energy drift too large 10.1525046370308 + 40.5206722200691 split increased to 2 itime 991054 + itsplit 1 + acceleration/energy drift too large 4.70385478390376 + 21.4641406840745 split increased to 2 itime 991080 + itsplit 1 + acceleration/energy drift too large 7.05811533646673 + 45.6207028602283 split increased to 2 itime 991097 + itsplit 1 + acceleration/energy drift too large 5.88995059991438 + 10.4593199435289 split increased to 2 itime 991730 + itsplit 1 + acceleration/energy drift too large 4.79904589349359 + 15.2433834267384 split increased to 2 itime 991851 + itsplit 1 + acceleration/energy drift too large 6.03164547020882 + 25.6011054229065 split increased to 2 itime 992147 + itsplit 1 + acceleration/energy drift too large 4.27944235575244 + 13.4118808691173 split increased to 2 itime 992624 + itsplit 1 + acceleration/energy drift too large 3.79611835588981 + 10.8014395272193 split increased to 2 itime 993601 + itsplit 1 + acceleration/energy drift too large 9.81593007379842 + 43.8211427883116 split increased to 2 itime 993687 + itsplit 1 + acceleration/energy drift too large 5.12745320161781 + 12.7998418418219 split increased to 2 itime 993764 + itsplit 1 + acceleration/energy drift too large 4.98228140049519 + 28.3171900114535 split increased to 2 itime 994336 + itsplit 1 + acceleration/energy drift too large 8.93613981531363 + 42.0336053180690 split increased to 2 itime 994388 + itsplit 1 + acceleration/energy drift too large 3.79687233558780 + 10.2014508288714 split increased to 2 itime 994398 + itsplit 1 + acceleration/energy drift too large 4.63745639936406 + 12.3600092318219 split increased to 2 itime 994792 + itsplit 1 + acceleration/energy drift too large 4.34735930023412 + 11.2522827957382 split increased to 2 itime 995328 + itsplit 1 + acceleration/energy drift too large 5.55778162158401 + 36.1723208783007 split increased to 2 itime 995393 + itsplit 1 + acceleration/energy drift too large 2.34929096586190 + 14.0106400485427 split increased to 2 itime 996349 + itsplit 1 + acceleration/energy drift too large 3.40259633126558 + 14.5501924551923 split increased to 2 itime 996414 + itsplit 1 + acceleration/energy drift too large 4.72936963932838 + 26.0105105100737 split increased to 2 itime 996694 + itsplit 1 + acceleration/energy drift too large 2.21955470692259 + 12.3022724913458 split increased to 2 itime 997034 + itsplit 1 + acceleration/energy drift too large 3.39880195626370 + 12.1395913429617 split increased to 2 itime 997485 + itsplit 1 + acceleration/energy drift too large 3.81575568091670 + 17.9836623913959 split increased to 2 itime 997594 + itsplit 1 + acceleration/energy drift too large 4.22657043037710 + 14.1146354103959 split increased to 2 itime 997810 + itsplit 1 + acceleration/energy drift too large 3.82768911597785 + 10.5813534813134 split increased to 2 itime 997839 + itsplit 1 + acceleration/energy drift too large 3.70661799958021 + 11.6939790119966 split increased to 2 itime 997848 + itsplit 1 + acceleration/energy drift too large 6.19065081685500 + 20.2550466542341 split increased to 2 itime 998558 + itsplit 1 + acceleration/energy drift too large 5.61815481700118 + 23.2173197973107 split increased to 2 itime 998728 + itsplit 1 REMD synchro at 1000000 ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 MIN ii_write= 1 @@ -1597,12 +5957,12 @@ ACC 15 390.00000 0.77778 9 =================================== Timing =================================== MD calculations setup: 3.90625E-03 - Energy & gradient evaluation: 3.11520E+02 - Stochastic MD setup: 3.90625E-03 + Energy & gradient evaluation: 3.80934E+02 + Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 3.70621E+02 + MD steps: 4.65398E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 370.644531250000 sec + Total wall clock time 465.425781250000 sec