From: Pawel Krupa Date: Wed, 20 Nov 2013 15:53:22 +0000 (-0500) Subject: Poprawione przyklady do pola ff_gab (zmieniony potencjal SIDEPAR na: sc_GB_opt.1gab_3... X-Git-Tag: v.3.2~1 X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=6167581cc7c0c42fe1515b9ecf7e19cc8466b727 Poprawione przyklady do pola ff_gab (zmieniony potencjal SIDEPAR na: sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k). --- diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD.out_GB000 b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD.out_GB000 index 75cd663..5054297 100644 --- a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD.out_GB000 +++ b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_MD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -151,7 +140,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -310,7 +300,7 @@ Mesoscopic molecular dynamics (MD) calculation. 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 1.837610523517500E-017 -2.960594732333751E-018 9.596410511702503E-018 + 6.942084199955001E-018 2.205132628221000E-017 -4.083578941150001E-019 alpha-carbon coordinates centroid coordinates @@ -350,5948 +340,5507 @@ TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 -GLY 11 3.800 90.000 180.000 0.000 180.000 180.000 -GLY 12 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 11 3.800 90.000 180.000 0.000 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 -GLY 16 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 16 3.800 90.000 180.000 0.000 0.000 180.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 -D 22 3.800 90.000 180.000 0.000 180.000 180.000 +D 22 3.800 90.000 180.000 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -7.520330E+00 WEIGHT= 7.153400D-01 (p-p) -EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending) -ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 2.664535E-15 WEIGHT= 1.985990D+00 (torsional) -ETORSD= -2.547586E+00 WEIGHT= 1.570690D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -4.501075E+00 WEIGHT= 4.288700D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= 2.197932E+01 WEIGHT= 1.603600D-01 (electrostatic-local) -ETURN3= -1.258124E+00 WEIGHT= 1.687220D+00 (turns, 3rd order) -ETURN4= 9.498513E+00 WEIGHT= 6.623000D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 7.153400E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 1.985990E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.570690E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 4.288700E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.603600E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 1.687220E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 6.623000E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 2.482802E+01 (total) +ETOT= 2.247374E+01 (total) Initial: Kinetic energy 3.16218E+01 - potential energy 2.48280E+01 - total energy 5.64498E+01 + potential energy 2.24737E+01 + total energy 5.40956E+01 - maximum acceleration 7.07629E-01 + maximum acceleration 9.56320E-01 - acceleration/energy drift too large 4.39698356902336 - 17.7905635972811 split increased to 2 itime 632 + acceleration/energy drift too large 2.72319612738728 + 17.4616252925770 split increased to 2 itime 215 itsplit 1 Momenta zeroed out, time 199.80 -Momenta zeroed out, time 399.80 - acceleration/energy drift too large 3.39356027661444 - 12.7525197055412 split increased to 2 itime 2927 - itsplit 1 - acceleration/energy drift too large 3.02498088331513 - 10.2921145518913 split increased to 2 itime 2930 - itsplit 1 -Momenta zeroed out, time 599.80 - acceleration/energy drift too large 4.54216331228309 - 12.0462564939088 split increased to 2 itime 3052 + acceleration/energy drift too large 6.54037287323364 + 43.0752464567129 split increased to 2 itime 1036 itsplit 1 - acceleration/energy drift too large 4.16448455849144 - 10.6196178943318 split increased to 2 itime 3349 + acceleration/energy drift too large 3.79192345431911 + 23.5278479921562 split increased to 2 itime 1575 itsplit 1 - acceleration/energy drift too large 4.39526760512046 - 10.5507928946016 split increased to 2 itime 3435 - itsplit 1 - acceleration/energy drift too large 6.08668404309407 - 16.5456597681296 split increased to 2 itime 3570 - itsplit 1 - acceleration/energy drift too large 7.53046279853727 - 22.8919942043917 split increased to 2 itime 3873 +Momenta zeroed out, time 399.80 + acceleration/energy drift too large 5.41085581577589 + 15.6625620840552 split increased to 2 itime 2870 itsplit 1 +Momenta zeroed out, time 599.80 Momenta zeroed out, time 799.80 - acceleration/energy drift too large 5.47992519504439 - 33.8739370007026 split increased to 2 itime 4001 + acceleration/energy drift too large 7.74932740008838 + 28.8653022358699 split increased to 2 itime 4455 itsplit 1 - acceleration/energy drift too large 7.41839068843641 - 63.5250268528612 split increased to 2 itime 4618 - itsplit 1 - acceleration/energy drift too large 3.51195971492097 - 11.9558497070928 split increased to 2 itime 4717 + acceleration/energy drift too large 1.71053814240372 + 13.7465758337077 split increased to 2 itime 4456 itsplit 1 Momenta zeroed out, time 999.80 -Momenta zeroed out, time 1199.80 - acceleration/energy drift too large 3.54244702992268 - 17.8895310345384 split increased to 2 itime 6722 - itsplit 1 -Momenta zeroed out, time 1399.80 - acceleration/energy drift too large 5.39286444854217 - 11.2798381962306 split increased to 2 itime 7001 + acceleration/energy drift too large 4.75525602222451 + 12.7186746693408 split increased to 2 itime 5312 itsplit 1 - acceleration/energy drift too large 9.20780749500955 - 38.3045214691228 split increased to 2 itime 7817 + acceleration/energy drift too large 4.81872135805603 + 12.6113913730400 split increased to 2 itime 5479 itsplit 1 - acceleration/energy drift too large 1.83504072266519 - 10.7771973262702 split increased to 2 itime 7818 + acceleration/energy drift too large 11.2080358277831 + 42.1594432864146 split increased to 2 itime 5660 itsplit 1 +Momenta zeroed out, time 1199.80 +Momenta zeroed out, time 1399.80 Momenta zeroed out, time 1599.80 - acceleration/energy drift too large 4.19907487651555 - 10.4921282913641 split increased to 2 itime 8564 - itsplit 1 - acceleration/energy drift too large 3.17335580174470 - 12.6724391091349 split increased to 2 itime 8818 - itsplit 1 Momenta zeroed out, time 1799.80 - acceleration/energy drift too large 8.06560928263231 - 33.4149194814094 split increased to 2 itime 9662 + acceleration/energy drift too large 7.87208849560482 + 36.1532377853196 split increased to 2 itime 9930 itsplit 1 Velocities reset to random values, time 1999.80 Momenta zeroed out, time 1999.80 - acceleration/energy drift too large 4.45157829783514 - 26.3039781168138 split increased to 2 itime 10676 + acceleration/energy drift too large 5.13933399311405 + 34.0755566561440 split increased to 2 itime 10049 itsplit 1 - acceleration/energy drift too large 6.66440292503640 - 55.1741978675102 split increased to 2 itime 10679 + acceleration/energy drift too large 4.63142016007299 + 15.2525364773005 split increased to 2 itime 10838 itsplit 1 Momenta zeroed out, time 2199.80 - acceleration/energy drift too large 8.63089182131861 - 19.4831430398544 split increased to 2 itime 11171 + acceleration/energy drift too large 6.43830801465224 + 10.6689056620213 split increased to 2 itime 11207 itsplit 1 -Momenta zeroed out, time 2399.80 - acceleration/energy drift too large 7.62996220579300 - 31.4962945846929 split increased to 2 itime 12408 - itsplit 1 - acceleration/energy drift too large 3.63121915043800 - 11.2571437014552 split increased to 2 itime 12757 + acceleration/energy drift too large 6.06555078252303 + 19.4623495316245 split increased to 2 itime 11740 itsplit 1 - acceleration/energy drift too large 4.39118916253273 - 24.3022253189238 split increased to 2 itime 12840 + acceleration/energy drift too large 5.80470953044753 + 11.8239568884976 split increased to 2 itime 11795 itsplit 1 - acceleration/energy drift too large 4.67090015867159 - 13.0374682889991 split increased to 2 itime 12841 +Momenta zeroed out, time 2399.80 + acceleration/energy drift too large 5.01076055291079 + 13.0734810130944 split increased to 2 itime 12306 itsplit 1 Momenta zeroed out, time 2599.80 - acceleration/energy drift too large 9.02475570380246 - 38.0778574993665 split increased to 2 itime 13446 - itsplit 1 - acceleration/energy drift too large 3.41592109942141 - 14.8650520835764 split increased to 2 itime 13462 - itsplit 1 - acceleration/energy drift too large 2.79963769293716 - 17.5146731432467 split increased to 2 itime 13854 + acceleration/energy drift too large 9.86549744108878 + 42.7111982766888 split increased to 2 itime 13282 itsplit 1 + acceleration/energy drift too large 2.44519745738783 + 10.7923969269299 split increased to 4 itime 13282 + itsplit 2 Momenta zeroed out, time 2799.80 - acceleration/energy drift too large 3.80526935708342 - 11.0241521308199 split increased to 2 itime 14320 - itsplit 1 - acceleration/energy drift too large 1.90190989712764 - 10.4185503525657 split increased to 2 itime 14923 + acceleration/energy drift too large 3.93287862960254 + 10.3125199361807 split increased to 2 itime 14633 itsplit 1 Momenta zeroed out, time 2999.80 - acceleration/energy drift too large 5.95429899750987 - 14.4354332198339 split increased to 2 itime 15420 - itsplit 1 Momenta zeroed out, time 3199.80 - acceleration/energy drift too large 8.22836619876476 - 28.4126762158840 split increased to 2 itime 16420 - itsplit 1 - acceleration/energy drift too large 3.23319767810637 - 10.6590724022170 split increased to 2 itime 16911 - itsplit 1 Momenta zeroed out, time 3399.80 - acceleration/energy drift too large 6.56573993705117 - 15.9881047970542 split increased to 2 itime 17131 + acceleration/energy drift too large 4.20638074171685 + 12.0747956386201 split increased to 2 itime 17124 itsplit 1 - acceleration/energy drift too large 4.95718276024963 - 23.2518822376889 split increased to 2 itime 17866 + acceleration/energy drift too large 3.87243098707320 + 21.7450484202249 split increased to 2 itime 17395 itsplit 1 - acceleration/energy drift too large 5.37700476424895 - 13.8777414853538 split increased to 2 itime 17983 + acceleration/energy drift too large 6.21402373003133 + 10.9983016658366 split increased to 2 itime 17601 + itsplit 1 + acceleration/energy drift too large 4.88921084924652 + 15.0898379891463 split increased to 2 itime 17777 itsplit 1 Momenta zeroed out, time 3599.80 -Momenta zeroed out, time 3799.80 - acceleration/energy drift too large 2.45252108164935 - 12.5211803171735 split increased to 2 itime 19620 + acceleration/energy drift too large 4.69454184726033 + 24.6989506577125 split increased to 2 itime 18132 itsplit 1 - acceleration/energy drift too large 4.40513193116508 - 16.7613452971730 split increased to 2 itime 19668 + acceleration/energy drift too large 5.16242081544977 + 22.7902608716027 split increased to 2 itime 18503 itsplit 1 - acceleration/energy drift too large 5.64534232156962 - 27.2927294296311 split increased to 2 itime 19694 + acceleration/energy drift too large 2.36873673284054 + 14.8965905631725 split increased to 2 itime 18842 + itsplit 1 +Momenta zeroed out, time 3799.80 + acceleration/energy drift too large 4.85228687004143 + 22.5355075772606 split increased to 2 itime 19397 + itsplit 1 + acceleration/energy drift too large 1.46345122396814 + 11.5936766700803 split increased to 4 itime 19397 + itsplit 2 + acceleration/energy drift too large 8.56539371050911 + 37.4883181465121 split increased to 2 itime 19603 itsplit 1 Velocities reset to random values, time 3999.80 Momenta zeroed out, time 3999.80 -Momenta zeroed out, time 4199.80 - acceleration/energy drift too large 5.94537869690195 - 23.4484482704843 split increased to 2 itime 21270 - itsplit 1 - acceleration/energy drift too large 6.00143350624456 - 16.9053054967892 split increased to 2 itime 21495 + acceleration/energy drift too large 4.57141731292990 + 21.8207721353240 split increased to 2 itime 20113 itsplit 1 -Momenta zeroed out, time 4399.80 - acceleration/energy drift too large 2.74029294169692 - 16.1445913075707 split increased to 2 itime 22083 + acceleration/energy drift too large 5.66933600824360 + 15.6079963314335 split increased to 2 itime 20231 itsplit 1 - acceleration/energy drift too large 4.91312776856005 - 15.2280350891730 split increased to 2 itime 22470 + acceleration/energy drift too large 11.1579601826113 + 51.6401501680156 split increased to 2 itime 20538 itsplit 1 - acceleration/energy drift too large 2.58854011130122 - 18.0720790025777 split increased to 2 itime 22522 +Momenta zeroed out, time 4199.80 +Momenta zeroed out, time 4399.80 + acceleration/energy drift too large 8.46741447837893 + 24.4986548540850 split increased to 2 itime 22004 itsplit 1 - acceleration/energy drift too large 5.50111684860520 - 12.9776598690394 split increased to 2 itime 22702 + acceleration/energy drift too large 1.79576575123948 + 12.9252016349580 split increased to 2 itime 22199 itsplit 1 Momenta zeroed out, time 4599.80 - acceleration/energy drift too large 4.75496262497947 - 13.3329455834328 split increased to 2 itime 23352 + acceleration/energy drift too large 7.11440811051631 + 19.2823878448165 split increased to 2 itime 23585 itsplit 1 -Momenta zeroed out, time 4799.80 - acceleration/energy drift too large 2.33654001360006 - 10.7019364836108 split increased to 2 itime 24469 + acceleration/energy drift too large 3.27896270383098 + 13.9407013885837 split increased to 2 itime 23619 itsplit 1 - acceleration/energy drift too large 5.37160662848791 - 26.6963025963655 split increased to 2 itime 24472 + acceleration/energy drift too large 3.49479055867206 + 14.0245413899183 split increased to 2 itime 23654 itsplit 1 - acceleration/energy drift too large 3.09317348267855 - 14.4709622512176 split increased to 2 itime 24552 + acceleration/energy drift too large 2.16368243491760 + 11.3090254469531 split increased to 2 itime 23812 itsplit 1 - acceleration/energy drift too large 5.35321710733798 - 26.2135597491416 split increased to 2 itime 24927 +Momenta zeroed out, time 4799.80 + acceleration/energy drift too large 6.76243030376985 + 22.1594973720176 split increased to 2 itime 24061 itsplit 1 Momenta zeroed out, time 4999.80 - acceleration/energy drift too large 2.90450039578201 - 18.8931931353474 split increased to 2 itime 25589 + acceleration/energy drift too large 7.79014142721530 + 25.3714273275374 split increased to 2 itime 25021 itsplit 1 - acceleration/energy drift too large 4.72018361929681 - 10.1828703667912 split increased to 2 itime 25749 + acceleration/energy drift too large 3.36862379234985 + 15.7212952722052 split increased to 2 itime 25022 itsplit 1 Momenta zeroed out, time 5199.80 - acceleration/energy drift too large 5.26613181106967 - 17.2322123521876 split increased to 2 itime 26417 - itsplit 1 - acceleration/energy drift too large 4.59023475862377 - 11.3127602693977 split increased to 2 itime 26615 + acceleration/energy drift too large 5.76450929770286 + 15.6679997289655 split increased to 2 itime 26551 itsplit 1 Momenta zeroed out, time 5399.80 + acceleration/energy drift too large 5.34737404049364 + 21.9716027016883 split increased to 2 itime 27203 + itsplit 1 Momenta zeroed out, time 5599.80 + acceleration/energy drift too large 6.11851303837759 + 20.3482961526684 split increased to 2 itime 28271 + itsplit 1 Momenta zeroed out, time 5799.80 - acceleration/energy drift too large 3.05377214923708 - 15.1447642805079 split increased to 2 itime 29071 + acceleration/energy drift too large 13.1536253359351 + 77.8915874933754 split increased to 2 itime 29178 itsplit 1 - acceleration/energy drift too large 1.83790110138989 - 12.0795347428249 split increased to 2 itime 29601 + acceleration/energy drift too large 7.99170230157663 + 30.9267525633004 split increased to 2 itime 29615 + itsplit 1 + acceleration/energy drift too large 5.84007467633396 + 40.3034082181770 split increased to 2 itime 29727 itsplit 1 Velocities reset to random values, time 5999.80 Momenta zeroed out, time 5999.80 - acceleration/energy drift too large 6.27634120019522 - 44.1057306307131 split increased to 2 itime 30264 +Momenta zeroed out, time 6199.80 + acceleration/energy drift too large 5.80074680400450 + 11.9141776739983 split increased to 2 itime 31127 itsplit 1 - acceleration/energy drift too large 3.48228768841985 - 11.8656426986899 split increased to 2 itime 30271 + acceleration/energy drift too large 4.29973985772325 + 11.5156287687703 split increased to 2 itime 31166 itsplit 1 -Momenta zeroed out, time 6199.80 - acceleration/energy drift too large 8.61386939154338 - 28.4721898196534 split increased to 2 itime 31998 + acceleration/energy drift too large 12.5687813155556 + 57.3438645022461 split increased to 2 itime 31369 + itsplit 1 + acceleration/energy drift too large 2.68666769774733 + 11.4959590504931 split increased to 4 itime 31369 + itsplit 1 + acceleration/energy drift too large 2.27353853437693 + 10.0580407428287 split increased to 2 itime 31405 itsplit 1 Momenta zeroed out, time 6399.80 - acceleration/energy drift too large 5.83441411952146 - 27.5523776475286 split increased to 2 itime 32009 + acceleration/energy drift too large 8.01268950614249 + 28.6339156536041 split increased to 2 itime 32104 + itsplit 1 + acceleration/energy drift too large 6.24855799900913 + 14.8369130693331 split increased to 2 itime 32296 itsplit 1 - acceleration/energy drift too large 4.05808405983529 - 15.2333062477363 split increased to 2 itime 32660 + acceleration/energy drift too large 7.19593055912121 + 24.2766433526406 split increased to 2 itime 32609 + itsplit 1 + acceleration/energy drift too large 5.14041729261880 + 28.2997359975134 split increased to 2 itime 32755 itsplit 1 Momenta zeroed out, time 6599.80 Momenta zeroed out, time 6799.80 - acceleration/energy drift too large 6.42370837265036 - 16.9041606601307 split increased to 2 itime 34087 + acceleration/energy drift too large 5.00348564934844 + 16.7889869187328 split increased to 2 itime 34184 itsplit 1 - acceleration/energy drift too large 3.73495678991895 - 19.3586126779498 split increased to 2 itime 34615 + acceleration/energy drift too large 4.18907273705785 + 15.3204569992629 split increased to 2 itime 34270 itsplit 1 Momenta zeroed out, time 6999.80 - acceleration/energy drift too large 4.28736545219826 - 11.3863329424735 split increased to 2 itime 35571 + acceleration/energy drift too large 4.61078879997085 + 23.9658031459670 split increased to 2 itime 35200 + itsplit 1 + acceleration/energy drift too large 5.60007564040575 + 16.2991911979540 split increased to 2 itime 35353 itsplit 1 Momenta zeroed out, time 7199.80 - acceleration/energy drift too large 3.06692469940185 - 13.6070833978436 split increased to 2 itime 36846 + acceleration/energy drift too large 4.89269150068081 + 13.4747509895724 split increased to 2 itime 36820 + itsplit 1 + acceleration/energy drift too large 5.30312159079110 + 20.1480917743599 split increased to 2 itime 36882 + itsplit 1 + acceleration/energy drift too large 4.76751097789890 + 16.8206795985719 split increased to 2 itime 36970 itsplit 1 Momenta zeroed out, time 7399.80 + acceleration/energy drift too large 5.83974925736020 + 14.7824170020744 split increased to 2 itime 37305 + itsplit 1 Momenta zeroed out, time 7599.80 + acceleration/energy drift too large 9.21856215163488 + 48.4194661486475 split increased to 2 itime 38211 + itsplit 1 + acceleration/energy drift too large 2.06767527889265 + 11.0978349931618 split increased to 2 itime 38212 + itsplit 1 + acceleration/energy drift too large 5.54605661052173 + 19.6059658329345 split increased to 2 itime 38421 + itsplit 1 + acceleration/energy drift too large 2.38627135764480 + 14.1042014732761 split increased to 2 itime 38623 + itsplit 1 Momenta zeroed out, time 7799.80 - acceleration/energy drift too large 3.85244728595349 - 14.0501076071389 split increased to 2 itime 39247 + acceleration/energy drift too large 3.98322587741448 + 22.9766729409893 split increased to 2 itime 39958 itsplit 1 Velocities reset to random values, time 7999.80 Momenta zeroed out, time 7999.80 - acceleration/energy drift too large 12.5168049727970 - 61.8335280625940 split increased to 2 itime 40887 - itsplit 1 -Momenta zeroed out, time 8199.80 -Momenta zeroed out, time 8399.80 - acceleration/energy drift too large 3.64585575164380 - 10.3201143178016 split increased to 2 itime 42417 + acceleration/energy drift too large 6.27650271053191 + 14.7977836272720 split increased to 2 itime 40279 itsplit 1 - acceleration/energy drift too large 5.31145102201342 - 17.3415703892899 split increased to 2 itime 42429 + acceleration/energy drift too large 8.59009631191852 + 39.8187110400014 split increased to 2 itime 40490 itsplit 1 - acceleration/energy drift too large 4.98538587624920 - 13.8687223754066 split increased to 2 itime 42431 +Momenta zeroed out, time 8199.80 + acceleration/energy drift too large 5.17180383597543 + 14.0783098668521 split increased to 2 itime 41384 itsplit 1 - acceleration/energy drift too large 6.98107189850152 - 15.4473366145767 split increased to 2 itime 42532 + acceleration/energy drift too large 3.87735472019716 + 15.7811449137575 split increased to 2 itime 41572 itsplit 1 -Momenta zeroed out, time 8599.80 - acceleration/energy drift too large 4.76244438986464 - 15.1577004987018 split increased to 2 itime 43003 + acceleration/energy drift too large 3.51642535679315 + 15.7220140273909 split increased to 2 itime 41729 itsplit 1 - acceleration/energy drift too large 9.22361482684654 - 38.8135375264464 split increased to 2 itime 43261 +Momenta zeroed out, time 8399.80 + acceleration/energy drift too large 6.16225291860081 + 29.5263533498483 split increased to 2 itime 42047 itsplit 1 - acceleration/energy drift too large 6.76676599548316 - 27.7036997924449 split increased to 2 itime 43637 + acceleration/energy drift too large 7.18180079279549 + 24.8059148302799 split increased to 2 itime 42685 itsplit 1 - acceleration/energy drift too large 2.09436004165414 - 10.9743280067315 split increased to 2 itime 43749 +Momenta zeroed out, time 8599.80 + acceleration/energy drift too large 5.19339193883683 + 16.1295560752374 split increased to 2 itime 43482 itsplit 1 Momenta zeroed out, time 8799.80 - acceleration/energy drift too large 8.08972994469408 - 28.7459093033991 split increased to 2 itime 44496 + acceleration/energy drift too large 9.56199327663242 + 45.6963883879774 split increased to 2 itime 44299 itsplit 1 - acceleration/energy drift too large 5.94227687396606 - 38.4229304354483 split increased to 2 itime 44580 + acceleration/energy drift too large 4.96994746436875 + 28.7775879690321 split increased to 2 itime 44387 itsplit 1 - acceleration/energy drift too large 6.07694998131686 - 28.6090227456739 split increased to 2 itime 44718 - itsplit 1 - acceleration/energy drift too large 4.70996076244970 - 15.2889166420494 split increased to 2 itime 44734 - itsplit 1 - acceleration/energy drift too large 2.70955536886905 - 11.5053085543661 split increased to 2 itime 44950 + acceleration/energy drift too large 2.57306069726098 + 13.1984210664011 split increased to 2 itime 44885 itsplit 1 Momenta zeroed out, time 8999.80 - acceleration/energy drift too large 3.66796076530377 - 12.0828735261540 split increased to 2 itime 45599 - itsplit 1 - acceleration/energy drift too large 5.63661359260562 - 31.3284743216722 split increased to 2 itime 45783 - itsplit 1 - acceleration/energy drift too large 2.75884606629015 - 10.3595487749449 split increased to 2 itime 45857 + acceleration/energy drift too large 3.70942014391104 + 10.9605471679359 split increased to 2 itime 45144 itsplit 1 Momenta zeroed out, time 9199.80 + acceleration/energy drift too large 3.85534440768578 + 11.1051888503297 split increased to 2 itime 46131 + itsplit 1 Momenta zeroed out, time 9399.80 Momenta zeroed out, time 9599.80 - acceleration/energy drift too large 2.37511494359315 - 12.8488102167232 split increased to 2 itime 48418 - itsplit 1 - acceleration/energy drift too large 10.6047325933035 - 55.5854477193121 split increased to 2 itime 48993 - itsplit 1 Momenta zeroed out, time 9799.80 - acceleration/energy drift too large 5.07559752269499 - 23.3329029949807 split increased to 2 itime 49843 + acceleration/energy drift too large 2.83048942433723 + 11.2737363957793 split increased to 2 itime 49440 + itsplit 1 + acceleration/energy drift too large 6.50921100852251 + 48.4625260808113 split increased to 2 itime 49535 itsplit 1 Velocities reset to random values, time 9999.80 Momenta zeroed out, time 9999.80 - acceleration/energy drift too large 13.7258429563102 - 67.8907906797260 split increased to 2 itime 50728 + acceleration/energy drift too large 3.27937603619019 + 16.1222677369087 split increased to 2 itime 50328 itsplit 1 - acceleration/energy drift too large 3.17626059236468 - 14.4428180244246 split increased to 4 itime 50728 - itsplit 2 - acceleration/energy drift too large 4.57702835591272 - 12.9952116111364 split increased to 2 itime 50805 - itsplit 1 - acceleration/energy drift too large 2.31192907024073 - 12.3597211683610 split increased to 2 itime 50946 + acceleration/energy drift too large 4.96113939774497 + 15.4592497159966 split increased to 2 itime 50721 itsplit 1 Momenta zeroed out, time 10199.80 - acceleration/energy drift too large 4.16984628617508 - 20.2796882174076 split increased to 2 itime 51940 + acceleration/energy drift too large 4.33090563302498 + 10.7989356270387 split increased to 2 itime 51010 itsplit 1 -Momenta zeroed out, time 10399.80 -Momenta zeroed out, time 10599.80 - acceleration/energy drift too large 2.92902599098835 - 12.8093329731859 split increased to 2 itime 53636 + acceleration/energy drift too large 5.26260913231894 + 11.8590331334576 split increased to 2 itime 51314 + itsplit 1 + acceleration/energy drift too large 4.78248829636612 + 15.8027586765332 split increased to 2 itime 51391 + itsplit 1 + acceleration/energy drift too large 7.59567887807955 + 16.3938732384440 split increased to 2 itime 51492 + itsplit 1 + acceleration/energy drift too large 3.69386816915365 + 16.7694568566135 split increased to 2 itime 51639 + itsplit 1 + acceleration/energy drift too large 4.26215808000810 + 19.2113528097287 split increased to 2 itime 51736 itsplit 1 - acceleration/energy drift too large 2.47701738717564 - 15.7396630198185 split increased to 2 itime 53704 +Momenta zeroed out, time 10399.80 + acceleration/energy drift too large 4.84858198838568 + 23.7312758404922 split increased to 2 itime 52444 itsplit 1 +Momenta zeroed out, time 10599.80 Momenta zeroed out, time 10799.80 -Momenta zeroed out, time 10999.80 - acceleration/energy drift too large 4.98034047655063 - 32.8547737979116 split increased to 2 itime 55032 + acceleration/energy drift too large 6.67729484545873 + 18.4672280042464 split increased to 2 itime 54995 itsplit 1 - acceleration/energy drift too large 2.75497504928269 - 13.7395193826710 split increased to 2 itime 55282 +Momenta zeroed out, time 10999.80 + acceleration/energy drift too large 3.14227942048779 + 12.4461271229172 split increased to 2 itime 55465 itsplit 1 Momenta zeroed out, time 11199.80 - acceleration/energy drift too large 3.35008367381655 - 13.6840347330178 split increased to 2 itime 56227 + acceleration/energy drift too large 5.46202471897654 + 35.0107852491205 split increased to 2 itime 56887 itsplit 1 Momenta zeroed out, time 11399.80 + acceleration/energy drift too large 18.3654074044273 + 130.376254411448 split increased to 2 itime 57182 + itsplit 1 + acceleration/energy drift too large 2.30764973353965 + 10.0058064672326 split increased to 2 itime 57183 + itsplit 1 + acceleration/energy drift too large 3.16986042903157 + 10.0720208671198 split increased to 2 itime 57370 + itsplit 1 Momenta zeroed out, time 11599.80 Momenta zeroed out, time 11799.80 - acceleration/energy drift too large 3.21658911928363 - 19.7505311847278 split increased to 2 itime 59040 - itsplit 1 Velocities reset to random values, time 11999.80 Momenta zeroed out, time 11999.80 - acceleration/energy drift too large 5.83443122281592 - 21.5263771680492 split increased to 2 itime 60288 - itsplit 1 - acceleration/energy drift too large 5.16262065538148 - 35.8844316787711 split increased to 2 itime 60832 - itsplit 1 - acceleration/energy drift too large 5.51694296437673 - 18.4843189831911 split increased to 2 itime 60885 - itsplit 1 Momenta zeroed out, time 12199.80 - acceleration/energy drift too large 4.67188949411882 - 12.7029739523938 split increased to 2 itime 61336 - itsplit 1 - acceleration/energy drift too large 4.63800792348367 - 12.6987802469200 split increased to 2 itime 61743 - itsplit 1 - acceleration/energy drift too large 3.56052709449680 - 11.7936926872926 split increased to 2 itime 61760 - itsplit 1 - acceleration/energy drift too large 6.15865994524156 - 16.3129134080368 split increased to 2 itime 61823 - itsplit 1 Momenta zeroed out, time 12399.80 - acceleration/energy drift too large 4.00499599022514 - 11.5843134924754 split increased to 2 itime 62663 + acceleration/energy drift too large 10.6138115888594 + 51.5528852697649 split increased to 2 itime 62484 itsplit 1 Momenta zeroed out, time 12599.80 - acceleration/energy drift too large 2.56612157683635 - 10.8776764634602 split increased to 2 itime 63300 +Momenta zeroed out, time 12799.80 + acceleration/energy drift too large 10.9905564818937 + 44.0041150384602 split increased to 2 itime 64317 itsplit 1 - acceleration/energy drift too large 6.07384825258712 - 29.5432933267084 split increased to 2 itime 63918 + acceleration/energy drift too large 1.99412412231116 + 16.5541773445468 split increased to 2 itime 64788 itsplit 1 -Momenta zeroed out, time 12799.80 Momenta zeroed out, time 12999.80 - acceleration/energy drift too large 6.40962398626571 - 19.3014902807754 split increased to 2 itime 65567 - itsplit 1 - acceleration/energy drift too large 2.23897891476848 - 18.1602372427450 split increased to 2 itime 65793 + acceleration/energy drift too large 9.92843117610741 + 36.8329204812823 split increased to 2 itime 65370 itsplit 1 Momenta zeroed out, time 13199.80 - acceleration/energy drift too large 4.41463000851833 - 13.2583352647208 split increased to 2 itime 66411 + acceleration/energy drift too large 10.8870742355123 + 49.2467121705014 split increased to 2 itime 66343 itsplit 1 - acceleration/energy drift too large 5.99859101552937 - 13.6099283610836 split increased to 2 itime 66830 + acceleration/energy drift too large 7.71455284544246 + 32.0278048820062 split increased to 2 itime 66498 itsplit 1 Momenta zeroed out, time 13399.80 - acceleration/energy drift too large 7.89789474044361 - 24.4662051657554 split increased to 2 itime 67353 - itsplit 1 - acceleration/energy drift too large 5.03665281033760 - 22.9913839473482 split increased to 2 itime 67529 - itsplit 1 - acceleration/energy drift too large 4.35966083477773 - 16.8556942624264 split increased to 2 itime 67762 - itsplit 1 Momenta zeroed out, time 13599.80 - acceleration/energy drift too large 3.76451505830646 - 17.6333813121882 split increased to 2 itime 68544 - itsplit 1 Momenta zeroed out, time 13799.80 - acceleration/energy drift too large 4.25851351294715 - 14.6702896402470 split increased to 2 itime 69239 - itsplit 1 Velocities reset to random values, time 13999.80 Momenta zeroed out, time 13999.80 - acceleration/energy drift too large 4.45055602549058 - 12.3952208755386 split increased to 2 itime 70899 + acceleration/energy drift too large 7.39909056389956 + 39.2910685855257 split increased to 2 itime 70012 itsplit 1 Momenta zeroed out, time 14199.80 - acceleration/energy drift too large 4.46172512232372 - 12.7925534297488 split increased to 2 itime 71755 + acceleration/energy drift too large 6.94232022362831 + 16.7430642498335 split increased to 2 itime 71893 itsplit 1 Momenta zeroed out, time 14399.80 -Momenta zeroed out, time 14599.80 - acceleration/energy drift too large 2.41862830840827 - 18.9358168651291 split increased to 2 itime 73293 + acceleration/energy drift too large 8.95829549337879 + 37.6429365952942 split increased to 2 itime 72042 itsplit 1 - acceleration/energy drift too large 2.66007098634747 - 15.4917109001443 split increased to 2 itime 73826 + acceleration/energy drift too large 4.71037993430117 + 29.3127245132606 split increased to 2 itime 72585 itsplit 1 -Momenta zeroed out, time 14799.80 - acceleration/energy drift too large 4.72730153204644 - 18.4667459919432 split increased to 2 itime 74020 - itsplit 1 - acceleration/energy drift too large 2.39664413137006 - 14.3273117645507 split increased to 2 itime 74338 + acceleration/energy drift too large 3.74787568844692 + 10.4956589403353 split increased to 2 itime 72616 itsplit 1 -Momenta zeroed out, time 14999.80 - acceleration/energy drift too large 5.00353058826032 - 11.8683936050750 split increased to 2 itime 75479 + acceleration/energy drift too large 5.64284066139711 + 15.2970323866532 split increased to 2 itime 72768 itsplit 1 - acceleration/energy drift too large 6.66197016385285 - 37.6113823871071 split increased to 2 itime 75562 +Momenta zeroed out, time 14599.80 + acceleration/energy drift too large 3.22047693625232 + 10.2323927577576 split increased to 2 itime 73519 itsplit 1 +Momenta zeroed out, time 14799.80 +Momenta zeroed out, time 14999.80 Momenta zeroed out, time 15199.80 - acceleration/energy drift too large 5.34454384237965 - 19.5576796462981 split increased to 2 itime 76263 - itsplit 1 - acceleration/energy drift too large 4.51641610432133 - 29.1600990722481 split increased to 2 itime 76788 - itsplit 1 - acceleration/energy drift too large 8.63655209634216 - 18.7646378850036 split increased to 2 itime 76970 - itsplit 1 Momenta zeroed out, time 15399.80 - acceleration/energy drift too large 4.53849318625630 - 17.1993230110750 split increased to 2 itime 77285 - itsplit 1 - acceleration/energy drift too large 3.62570244208059 - 14.2343665315205 split increased to 2 itime 77630 - itsplit 1 - acceleration/energy drift too large 2.84388637840565 - 16.4555696829830 split increased to 2 itime 77641 - itsplit 1 - acceleration/energy drift too large 3.48271114097889 - 18.5083447514336 split increased to 2 itime 77717 - itsplit 1 - acceleration/energy drift too large 4.47293888968337 - 25.2555994015920 split increased to 2 itime 77862 - itsplit 1 - acceleration/energy drift too large 5.06379296901467 - 17.3091974254579 split increased to 2 itime 77876 - itsplit 1 Momenta zeroed out, time 15599.80 - acceleration/energy drift too large 4.18251387365866 - 27.3724468252798 split increased to 2 itime 78240 - itsplit 1 - acceleration/energy drift too large 5.02093268870988 - 17.9358155966855 split increased to 2 itime 78747 - itsplit 1 Momenta zeroed out, time 15799.80 + acceleration/energy drift too large 7.05205026565706 + 31.0984527062673 split increased to 2 itime 79285 + itsplit 1 Velocities reset to random values, time 15999.80 Momenta zeroed out, time 15999.80 - acceleration/energy drift too large 8.34426187863438 - 32.3560811897283 split increased to 2 itime 80950 - itsplit 1 Momenta zeroed out, time 16199.80 - acceleration/energy drift too large 9.56730627103907 - 45.7822687789026 split increased to 2 itime 81070 - itsplit 1 - acceleration/energy drift too large 10.8139930979340 - 62.2396776776921 split increased to 2 itime 81121 - itsplit 1 Momenta zeroed out, time 16399.80 - acceleration/energy drift too large 7.46032855432608 - 17.8017001100370 split increased to 2 itime 82620 - itsplit 1 Momenta zeroed out, time 16599.80 - acceleration/energy drift too large 4.88543260739734 - 10.8572155124260 split increased to 2 itime 83169 - itsplit 1 - acceleration/energy drift too large 4.23137276942631 - 10.9403335066902 split increased to 2 itime 83935 + acceleration/energy drift too large 3.31562686056845 + 14.7664636208852 split increased to 2 itime 83386 itsplit 1 Momenta zeroed out, time 16799.80 - acceleration/energy drift too large 4.85112825690980 - 25.5760417790966 split increased to 2 itime 84071 - itsplit 1 - acceleration/energy drift too large 4.08249732768194 - 12.6351591601736 split increased to 2 itime 84072 - itsplit 1 - acceleration/energy drift too large 6.05224962895547 - 15.2924060648295 split increased to 2 itime 84617 - itsplit 1 - acceleration/energy drift too large 7.78476307573275 - 29.8662175695063 split increased to 2 itime 84739 - itsplit 1 - acceleration/energy drift too large 3.18340317388870 - 20.6585849451764 split increased to 2 itime 84837 + acceleration/energy drift too large 2.91601696209211 + 12.9604870283463 split increased to 2 itime 84152 itsplit 1 Momenta zeroed out, time 16999.80 Momenta zeroed out, time 17199.80 - acceleration/energy drift too large 5.82088333951169 - 28.0244308297655 split increased to 2 itime 86039 - itsplit 1 - acceleration/energy drift too large 4.06253779202813 - 11.5465403298053 split increased to 2 itime 86431 + acceleration/energy drift too large 6.05380398161547 + 16.3180812727663 split increased to 2 itime 86244 itsplit 1 - acceleration/energy drift too large 3.71522351176740 - 10.9568921082902 split increased to 2 itime 86432 - itsplit 1 - acceleration/energy drift too large 2.80119663332834 - 22.6476950098863 split increased to 2 itime 86872 + acceleration/energy drift too large 8.09470333269514 + 27.1409006005189 split increased to 2 itime 86772 itsplit 1 Momenta zeroed out, time 17399.80 - acceleration/energy drift too large 7.95700615324778 - 20.8253077942557 split increased to 2 itime 87015 - itsplit 1 - acceleration/energy drift too large 6.68194350409079 - 20.9017335918824 split increased to 2 itime 87435 - itsplit 1 - acceleration/energy drift too large 4.44891771455148 - 22.0374392269125 split increased to 2 itime 87651 - itsplit 1 - acceleration/energy drift too large 3.83688710451913 - 10.0925873074857 split increased to 2 itime 87695 - itsplit 1 - acceleration/energy drift too large 9.50130133055209 - 35.1703230498811 split increased to 2 itime 87835 - itsplit 1 Momenta zeroed out, time 17599.80 - acceleration/energy drift too large 3.67990187120865 - 10.7323576086921 split increased to 2 itime 88350 - itsplit 1 - acceleration/energy drift too large 2.54365017506849 - 11.0228742318586 split increased to 2 itime 88720 - itsplit 1 Momenta zeroed out, time 17799.80 Velocities reset to random values, time 17999.80 Momenta zeroed out, time 17999.80 - acceleration/energy drift too large 4.52465384103131 - 15.2755141584247 split increased to 2 itime 90264 + acceleration/energy drift too large 4.68006947700800 + 12.0048618947529 split increased to 2 itime 90015 itsplit 1 - acceleration/energy drift too large 2.18922309979136 - 10.0744301460685 split increased to 2 itime 90292 + acceleration/energy drift too large 6.21167543907503 + 17.5239961527349 split increased to 2 itime 90669 itsplit 1 Momenta zeroed out, time 18199.80 + acceleration/energy drift too large 5.49917390302013 + 19.0670223208662 split increased to 2 itime 91180 + itsplit 1 Momenta zeroed out, time 18399.80 - acceleration/energy drift too large 13.4088318092256 - 77.2919387012917 split increased to 2 itime 92084 + acceleration/energy drift too large 2.32940505729531 + 12.0923562723505 split increased to 2 itime 92152 + itsplit 1 + acceleration/energy drift too large 3.63454443623827 + 11.1705642087723 split increased to 2 itime 92498 itsplit 1 - acceleration/energy drift too large 3.18870596897947 - 18.0097049737288 split increased to 4 itime 92084 - itsplit 2 Momenta zeroed out, time 18599.80 - acceleration/energy drift too large 3.64891851277565 - 23.9998188979193 split increased to 2 itime 93837 + acceleration/energy drift too large 4.98622308766075 + 14.3266805315256 split increased to 2 itime 93267 + itsplit 1 + acceleration/energy drift too large 3.39367168145849 + 14.4918327357564 split increased to 2 itime 93425 itsplit 1 Momenta zeroed out, time 18799.80 + acceleration/energy drift too large 4.04233861098171 + 16.4332490699476 split increased to 2 itime 94890 + itsplit 1 + acceleration/energy drift too large 9.67336392929224 + 46.4714109788273 split increased to 2 itime 94905 + itsplit 1 Momenta zeroed out, time 18999.80 - acceleration/energy drift too large 5.19430747778618 - 11.5456592995170 split increased to 2 itime 95284 + acceleration/energy drift too large 4.85797167913187 + 23.6009149465356 split increased to 2 itime 95311 itsplit 1 Momenta zeroed out, time 19199.80 - acceleration/energy drift too large 2.95058566337406 - 10.7535470717517 split increased to 2 itime 96936 + acceleration/energy drift too large 4.47500541527439 + 20.4859082729379 split increased to 2 itime 96100 + itsplit 1 + acceleration/energy drift too large 8.46652029239920 + 27.8747230662647 split increased to 2 itime 96192 + itsplit 1 + acceleration/energy drift too large 5.52652572251208 + 33.2220554025483 split increased to 2 itime 96273 + itsplit 1 + acceleration/energy drift too large 5.41067165528822 + 14.7241572733630 split increased to 2 itime 96781 + itsplit 1 + acceleration/energy drift too large 4.46639130849555 + 28.1491986111354 split increased to 2 itime 96892 itsplit 1 Momenta zeroed out, time 19399.80 - acceleration/energy drift too large 6.81661720903325 - 37.9107104782135 split increased to 2 itime 97910 + acceleration/energy drift too large 3.98467173266504 + 17.8388963561430 split increased to 2 itime 97297 + itsplit 1 + acceleration/energy drift too large 5.04169755916482 + 15.3349664588636 split increased to 2 itime 97481 + itsplit 1 + acceleration/energy drift too large 3.72961389015021 + 19.2697384186594 split increased to 2 itime 97538 itsplit 1 Momenta zeroed out, time 19599.80 - acceleration/energy drift too large 4.64202409725388 - 32.1761549422615 split increased to 2 itime 98205 + acceleration/energy drift too large 7.04813810333769 + 17.1714206984341 split increased to 2 itime 98050 itsplit 1 - acceleration/energy drift too large 3.56528663596056 - 16.4425389009456 split increased to 2 itime 98206 + acceleration/energy drift too large 4.52121962271918 + 19.4366331750622 split increased to 2 itime 98678 itsplit 1 - acceleration/energy drift too large 4.97400953233985 - 12.1074535369943 split increased to 2 itime 98622 + acceleration/energy drift too large 4.11142675957641 + 12.3074761437554 split increased to 2 itime 98864 itsplit 1 Momenta zeroed out, time 19799.80 - acceleration/energy drift too large 2.69349966309107 - 17.0039474498266 split increased to 2 itime 99317 + acceleration/energy drift too large 6.05804123218772 + 19.6893179560571 split increased to 2 itime 99149 itsplit 1 - acceleration/energy drift too large 5.72485431952258 - 14.9870453101872 split increased to 2 itime 99341 + acceleration/energy drift too large 11.3330981627106 + 64.9412904812655 split increased to 2 itime 99237 + itsplit 1 + acceleration/energy drift too large 2.24901457253478 + 10.1465695008255 split increased to 4 itime 99237 + itsplit 1 + acceleration/energy drift too large 5.54012085768362 + 31.9212908137031 split increased to 2 itime 99507 + itsplit 1 + acceleration/energy drift too large 6.36231067840848 + 17.6665892171197 split increased to 2 itime 99848 itsplit 1 Velocities reset to random values, time 19999.80 Momenta zeroed out, time 19999.80 Momenta zeroed out, time 20199.80 - acceleration/energy drift too large 4.69450049767983 - 10.8512027171923 split increased to 2 itime 101839 - itsplit 1 Momenta zeroed out, time 20399.80 - acceleration/energy drift too large 4.89694384004542 - 12.7092541458072 split increased to 2 itime 102734 + acceleration/energy drift too large 4.72052472846199 + 13.1211924722457 split increased to 2 itime 102196 itsplit 1 -Momenta zeroed out, time 20599.80 - acceleration/energy drift too large 4.45223977455499 - 13.9897800576120 split increased to 2 itime 103117 - itsplit 1 - acceleration/energy drift too large 7.90185325209408 - 22.6184726479979 split increased to 2 itime 103287 + acceleration/energy drift too large 8.68584600666792 + 28.0185181920062 split increased to 2 itime 102315 itsplit 1 - acceleration/energy drift too large 4.62832564657473 - 10.7422123450491 split increased to 2 itime 103389 + acceleration/energy drift too large 5.93386897245013 + 18.0040285282340 split increased to 2 itime 102728 itsplit 1 +Momenta zeroed out, time 20599.80 Momenta zeroed out, time 20799.80 + acceleration/energy drift too large 2.25561116540855 + 15.4799315600797 split increased to 2 itime 104454 + itsplit 1 Momenta zeroed out, time 20999.80 Momenta zeroed out, time 21199.80 - acceleration/energy drift too large 7.86972506475642 - 21.3117364031844 split increased to 2 itime 106275 - itsplit 1 - acceleration/energy drift too large 5.56069390928186 - 17.7947271886705 split increased to 2 itime 106737 - itsplit 1 Momenta zeroed out, time 21399.80 - acceleration/energy drift too large 4.57621124738289 - 14.0027328161438 split increased to 2 itime 107195 - itsplit 1 - acceleration/energy drift too large 6.88622152640133 - 23.2073736499821 split increased to 2 itime 107945 + acceleration/energy drift too large 6.48068185298961 + 24.1650995696363 split increased to 2 itime 107865 itsplit 1 Momenta zeroed out, time 21599.80 - acceleration/energy drift too large 4.20480271981057 - 14.2911348526118 split increased to 2 itime 108254 +Momenta zeroed out, time 21799.80 + acceleration/energy drift too large 11.2141152006768 + 43.4541843236600 split increased to 2 itime 109345 itsplit 1 - acceleration/energy drift too large 4.41222054384844 - 11.0562232715240 split increased to 2 itime 108751 + acceleration/energy drift too large 10.0242859787632 + 49.7578829944113 split increased to 2 itime 109397 itsplit 1 -Momenta zeroed out, time 21799.80 Velocities reset to random values, time 21999.80 Momenta zeroed out, time 21999.80 - acceleration/energy drift too large 3.95052384352229 - 10.9904286289799 split increased to 2 itime 110414 + acceleration/energy drift too large 2.90743347389720 + 10.8468557941892 split increased to 2 itime 110073 + itsplit 1 + acceleration/energy drift too large 3.87728072907870 + 13.3005247651542 split increased to 2 itime 110428 + itsplit 1 + acceleration/energy drift too large 4.91071655972354 + 11.2818404319436 split increased to 2 itime 110881 itsplit 1 Momenta zeroed out, time 22199.80 - acceleration/energy drift too large 5.31937410353807 - 13.4184260234820 split increased to 2 itime 111085 + acceleration/energy drift too large 7.53891993281761 + 37.9711660372228 split increased to 2 itime 111048 + itsplit 1 + acceleration/energy drift too large 4.66901757754444 + 10.1125381569454 split increased to 2 itime 111771 itsplit 1 Momenta zeroed out, time 22399.80 - acceleration/energy drift too large 4.32729835859617 - 10.6651726382460 split increased to 2 itime 112625 + acceleration/energy drift too large 5.42693595564785 + 11.7066563342837 split increased to 2 itime 112959 itsplit 1 Momenta zeroed out, time 22599.80 - acceleration/energy drift too large 4.06862587665351 - 13.8921263969801 split increased to 2 itime 113680 - itsplit 1 - acceleration/energy drift too large 3.50081284237302 - 12.7296791877854 split increased to 2 itime 113861 - itsplit 1 - acceleration/energy drift too large 2.54344148612892 - 16.4510882125728 split increased to 2 itime 113925 + acceleration/energy drift too large 5.32963764161953 + 18.8156411143295 split increased to 2 itime 113004 itsplit 1 Momenta zeroed out, time 22799.80 - acceleration/energy drift too large 7.50935396511380 - 21.1248158456486 split increased to 2 itime 114285 - itsplit 1 - acceleration/energy drift too large 8.39070454466253 - 27.7788511359563 split increased to 2 itime 114690 - itsplit 1 - acceleration/energy drift too large 4.44255144054565 - 13.5047023670865 split increased to 2 itime 114952 - itsplit 1 Momenta zeroed out, time 22999.80 - acceleration/energy drift too large 8.91125629771950 - 36.1301366274105 split increased to 2 itime 115651 + acceleration/energy drift too large 3.52917289812703 + 12.1237217184508 split increased to 2 itime 115130 + itsplit 1 + acceleration/energy drift too large 6.97995388179496 + 37.1887424620953 split increased to 2 itime 115400 itsplit 1 - acceleration/energy drift too large 3.45237222214670 - 10.7326952565081 split increased to 2 itime 115835 + acceleration/energy drift too large 4.22866653943875 + 16.9124168960619 split increased to 2 itime 115441 itsplit 1 Momenta zeroed out, time 23199.80 Momenta zeroed out, time 23399.80 - acceleration/energy drift too large 16.0961005633800 - 123.137579744091 split increased to 2 itime 117315 - itsplit 1 - acceleration/energy drift too large 3.37915295925570 - 17.6413079182632 split increased to 4 itime 117315 - itsplit 1 Momenta zeroed out, time 23599.80 + acceleration/energy drift too large 3.87310439178765 + 18.9008482138582 split increased to 2 itime 118148 + itsplit 1 Momenta zeroed out, time 23799.80 - acceleration/energy drift too large 3.79303674674630 - 17.2740899000327 split increased to 2 itime 119833 + acceleration/energy drift too large 5.07626431807413 + 24.3287920796989 split increased to 2 itime 119998 itsplit 1 Velocities reset to random values, time 23999.80 Momenta zeroed out, time 23999.80 - acceleration/energy drift too large 4.90516716742271 - 13.0037682971531 split increased to 2 itime 120482 + acceleration/energy drift too large 4.39485122029845 + 25.6416403200795 split increased to 2 itime 120001 itsplit 1 Momenta zeroed out, time 24199.80 - acceleration/energy drift too large 2.73315614997989 - 13.6207513006319 split increased to 2 itime 121004 - itsplit 1 - acceleration/energy drift too large 12.8819602577642 - 52.5380920421354 split increased to 2 itime 121214 - itsplit 1 - acceleration/energy drift too large 3.47477821979529 - 16.2923748699555 split increased to 4 itime 121214 - itsplit 1 - acceleration/energy drift too large 4.20394254031781 - 11.1861783063199 split increased to 2 itime 121311 - itsplit 1 - acceleration/energy drift too large 4.82596791414712 - 10.2037046702893 split increased to 2 itime 121395 - itsplit 1 - acceleration/energy drift too large 5.05897606839207 - 13.4949104432048 split increased to 2 itime 121607 - itsplit 1 - acceleration/energy drift too large 3.31688014370243 - 13.9486129870543 split increased to 2 itime 121694 - itsplit 1 Momenta zeroed out, time 24399.80 - acceleration/energy drift too large 4.70408388605921 - 13.3258219896199 split increased to 2 itime 122226 - itsplit 1 - acceleration/energy drift too large 5.03904799144225 - 11.0962683760936 split increased to 2 itime 122293 - itsplit 1 - acceleration/energy drift too large 2.42289774388785 - 11.1030403342300 split increased to 2 itime 122609 - itsplit 1 Momenta zeroed out, time 24599.80 - acceleration/energy drift too large 2.81057916254257 - 18.0065544881435 split increased to 2 itime 123168 - itsplit 1 -Momenta zeroed out, time 24799.80 - acceleration/energy drift too large 7.59153177183012 - 23.9506630397549 split increased to 2 itime 124193 + acceleration/energy drift too large 5.36723311605689 + 22.2290174958638 split increased to 2 itime 123134 itsplit 1 - acceleration/energy drift too large 2.54136989659172 - 14.5522734433619 split increased to 2 itime 124382 + acceleration/energy drift too large 11.7917425582346 + 51.8179542325976 split increased to 2 itime 123197 itsplit 1 +Momenta zeroed out, time 24799.80 Momenta zeroed out, time 24999.80 - acceleration/energy drift too large 5.66988307672853 - 15.6627334311209 split increased to 2 itime 125203 + acceleration/energy drift too large 15.2607417483753 + 85.0457584540873 split increased to 2 itime 125362 itsplit 1 - acceleration/energy drift too large 5.08985624495417 - 15.8080570493103 split increased to 2 itime 125285 + acceleration/energy drift too large 2.29630616293007 + 11.9547323390322 split increased to 2 itime 125848 itsplit 1 -Momenta zeroed out, time 25199.80 - acceleration/energy drift too large 6.05562916194348 - 20.7257406009331 split increased to 2 itime 126285 + acceleration/energy drift too large 1.50353735501800 + 10.7027529765845 split increased to 2 itime 125849 itsplit 1 -Momenta zeroed out, time 25399.80 - acceleration/energy drift too large 7.04675063409229 - 39.0870368323379 split increased to 2 itime 127001 +Momenta zeroed out, time 25199.80 + acceleration/energy drift too large 9.69038863094994 + 46.5456316868440 split increased to 2 itime 126218 itsplit 1 - acceleration/energy drift too large 6.01525950863738 - 14.3906932761678 split increased to 2 itime 127319 + acceleration/energy drift too large 4.89117347038313 + 10.6161426385079 split increased to 2 itime 126615 itsplit 1 -Momenta zeroed out, time 25599.80 - acceleration/energy drift too large 4.39732673247423 - 25.1100549592741 split increased to 2 itime 128025 + acceleration/energy drift too large 5.67621101603601 + 11.2847179721708 split increased to 2 itime 126616 itsplit 1 - acceleration/energy drift too large 13.2349361364762 - 63.8834389436252 split increased to 2 itime 128591 +Momenta zeroed out, time 25399.80 + acceleration/energy drift too large 2.71528216234637 + 10.8742670834453 split increased to 2 itime 127180 itsplit 1 - acceleration/energy drift too large 2.69174993010006 - 11.6495163534063 split increased to 4 itime 128591 + acceleration/energy drift too large 6.05662302874390 + 17.9528568085426 split increased to 2 itime 127520 itsplit 1 +Momenta zeroed out, time 25599.80 Momenta zeroed out, time 25799.80 - acceleration/energy drift too large 6.58856653187946 - 26.1159587248144 split increased to 2 itime 129214 - itsplit 1 - acceleration/energy drift too large 3.13431625552745 - 10.4607479788952 split increased to 2 itime 129224 +Velocities reset to random values, time 25999.80 +Momenta zeroed out, time 25999.80 + acceleration/energy drift too large 6.44567675422707 + 15.6779402735223 split increased to 2 itime 130271 itsplit 1 - acceleration/energy drift too large 5.43369665382026 - 13.9844895424448 split increased to 2 itime 129408 + acceleration/energy drift too large 2.21707578841876 + 10.9483954140988 split increased to 2 itime 130292 itsplit 1 - acceleration/energy drift too large 6.66886291976995 - 17.4465449187104 split increased to 2 itime 129699 + acceleration/energy drift too large 4.36177143143695 + 21.6598553145336 split increased to 2 itime 130867 itsplit 1 -Velocities reset to random values, time 25999.80 -Momenta zeroed out, time 25999.80 Momenta zeroed out, time 26199.80 - acceleration/energy drift too large 4.64748123849241 - 12.1647862671586 split increased to 2 itime 131220 + acceleration/energy drift too large 5.86755266056622 + 14.2674530451691 split increased to 2 itime 131431 itsplit 1 Momenta zeroed out, time 26399.80 Momenta zeroed out, time 26599.80 - acceleration/energy drift too large 2.77459799871227 - 10.7034295226332 split increased to 2 itime 133534 - itsplit 1 - acceleration/energy drift too large 4.20671410205354 - 13.6685182926482 split increased to 2 itime 133701 + acceleration/energy drift too large 4.34836516085499 + 22.2849116054904 split increased to 2 itime 133489 itsplit 1 - acceleration/energy drift too large 2.22446150246101 - 15.4864891500179 split increased to 2 itime 133702 + acceleration/energy drift too large 2.08942757134938 + 10.0419884012594 split increased to 2 itime 133827 itsplit 1 Momenta zeroed out, time 26799.80 -Momenta zeroed out, time 26999.80 - acceleration/energy drift too large 4.61584423523285 - 13.5999412270583 split increased to 2 itime 135237 + acceleration/energy drift too large 5.91152282626581 + 21.7124992437290 split increased to 2 itime 134116 itsplit 1 +Momenta zeroed out, time 26999.80 Momenta zeroed out, time 27199.80 - acceleration/energy drift too large 8.78387124734210 - 10.1149894555035 split increased to 2 itime 136571 - itsplit 1 - acceleration/energy drift too large 2.68428582994596 - 19.2372428772638 split increased to 2 itime 136914 - itsplit 1 - acceleration/energy drift too large 3.64643492166477 - 15.7444378016725 split increased to 2 itime 136915 + acceleration/energy drift too large 8.59869238924397 + 34.1447227494460 split increased to 2 itime 136701 itsplit 1 Momenta zeroed out, time 27399.80 - acceleration/energy drift too large 10.7618819161174 - 56.1990744833348 split increased to 2 itime 137033 - itsplit 1 - acceleration/energy drift too large 7.66448645476698 - 15.9563594712719 split increased to 2 itime 137558 + acceleration/energy drift too large 3.90701377805578 + 13.7577030220622 split increased to 2 itime 137036 itsplit 1 Momenta zeroed out, time 27599.80 - acceleration/energy drift too large 4.41657790561784 - 24.7644169109248 split increased to 2 itime 138702 + acceleration/energy drift too large 3.43265848765637 + 14.6117164596684 split increased to 2 itime 138015 itsplit 1 - acceleration/energy drift too large 6.56363337458370 - 28.2892777337221 split increased to 2 itime 138841 + acceleration/energy drift too large 6.29174226512578 + 20.8708794180154 split increased to 2 itime 138458 itsplit 1 -Momenta zeroed out, time 27799.80 - acceleration/energy drift too large 7.82449243896807 - 26.1916550545304 split increased to 2 itime 139387 + acceleration/energy drift too large 5.91228006595623 + 19.7821700115620 split increased to 2 itime 138812 itsplit 1 - acceleration/energy drift too large 4.14974828919907 - 19.8440896495035 split increased to 2 itime 139444 + acceleration/energy drift too large 9.64428714515480 + 40.8842613554788 split increased to 2 itime 138889 itsplit 1 - acceleration/energy drift too large 6.90631285336286 - 50.6826475575100 split increased to 2 itime 139828 + acceleration/energy drift too large 4.04260031872768 + 11.3880120994544 split increased to 2 itime 138956 + itsplit 1 + acceleration/energy drift too large 3.85766530987979 + 18.6469090195766 split increased to 2 itime 138959 + itsplit 1 +Momenta zeroed out, time 27799.80 + acceleration/energy drift too large 4.75913927305345 + 13.7619481318178 split increased to 2 itime 139718 itsplit 1 Velocities reset to random values, time 27999.80 Momenta zeroed out, time 27999.80 - acceleration/energy drift too large 5.48003327014847 - 25.5904438898574 split increased to 2 itime 140489 + acceleration/energy drift too large 5.79061039802929 + 16.1750469456370 split increased to 2 itime 140217 itsplit 1 - acceleration/energy drift too large 4.85082461484570 - 16.1493292351742 split increased to 2 itime 140533 + acceleration/energy drift too large 6.05233283020126 + 19.9593814086447 split increased to 2 itime 140486 itsplit 1 - acceleration/energy drift too large 3.99345900432327 - 21.3786746984440 split increased to 2 itime 140994 + acceleration/energy drift too large 8.05831314494437 + 28.9694249463301 split increased to 2 itime 140753 itsplit 1 Momenta zeroed out, time 28199.80 - acceleration/energy drift too large 4.06654569601219 - 10.4260411008848 split increased to 2 itime 141187 - itsplit 1 Momenta zeroed out, time 28399.80 - acceleration/energy drift too large 4.40755539831301 - 12.6953007452508 split increased to 2 itime 142417 + acceleration/energy drift too large 1.53955938955764 + 15.1824903687391 split increased to 2 itime 142253 itsplit 1 Momenta zeroed out, time 28599.80 -Momenta zeroed out, time 28799.80 - acceleration/energy drift too large 6.40053973414325 - 11.4720261558103 split increased to 2 itime 144218 + acceleration/energy drift too large 3.51063915620196 + 15.2275608050616 split increased to 2 itime 143281 itsplit 1 - acceleration/energy drift too large 1.77108241121747 - 12.4781376098111 split increased to 2 itime 144612 + acceleration/energy drift too large 6.57757491109540 + 15.1071344086136 split increased to 2 itime 143692 itsplit 1 +Momenta zeroed out, time 28799.80 Momenta zeroed out, time 28999.80 - acceleration/energy drift too large 5.70881954805607 - 38.0515758112629 split increased to 2 itime 145360 - itsplit 1 - acceleration/energy drift too large 4.64567472242944 - 15.7195036153497 split increased to 2 itime 145834 - itsplit 1 Momenta zeroed out, time 29199.80 - acceleration/energy drift too large 3.74110253194465 - 18.6573961129988 split increased to 2 itime 146617 + acceleration/energy drift too large 6.47754240391145 + 19.4138137039359 split increased to 2 itime 146493 itsplit 1 - acceleration/energy drift too large 5.45135620080699 - 19.8818708027211 split increased to 2 itime 146985 + acceleration/energy drift too large 9.20636232698768 + 50.0655524147250 split increased to 2 itime 146549 itsplit 1 Momenta zeroed out, time 29399.80 -Momenta zeroed out, time 29599.80 - acceleration/energy drift too large 4.47017458458954 - 25.6810011756821 split increased to 2 itime 148117 + acceleration/energy drift too large 5.33314210808400 + 18.9276777834286 split increased to 2 itime 147909 itsplit 1 +Momenta zeroed out, time 29599.80 Momenta zeroed out, time 29799.80 Velocities reset to random values, time 29999.80 Momenta zeroed out, time 29999.80 -Momenta zeroed out, time 30199.80 - acceleration/energy drift too large 7.57795144261562 - 30.0887066561422 split increased to 2 itime 151516 + acceleration/energy drift too large 6.56370260157163 + 12.1720710630900 split increased to 2 itime 150291 + itsplit 1 + acceleration/energy drift too large 10.3961654533471 + 47.4114310065709 split increased to 2 itime 150337 itsplit 1 - acceleration/energy drift too large 10.6210150280561 - 45.5580815536131 split increased to 2 itime 151690 + acceleration/energy drift too large 2.61547454333882 + 10.5541323902690 split increased to 4 itime 150337 + itsplit 2 + acceleration/energy drift too large 4.99561797594032 + 13.1481406250819 split increased to 2 itime 150883 itsplit 1 +Momenta zeroed out, time 30199.80 Momenta zeroed out, time 30399.80 -Momenta zeroed out, time 30599.80 - acceleration/energy drift too large 4.92167315261708 - 10.2630447521982 split increased to 2 itime 153699 + acceleration/energy drift too large 4.41266945284420 + 13.6001511120172 split increased to 2 itime 152739 itsplit 1 +Momenta zeroed out, time 30599.80 Momenta zeroed out, time 30799.80 - acceleration/energy drift too large 5.38472595496608 - 14.3750970281303 split increased to 2 itime 154459 + acceleration/energy drift too large 5.97613155319733 + 16.7364156951243 split increased to 2 itime 154082 itsplit 1 -Momenta zeroed out, time 30999.80 - acceleration/energy drift too large 2.01082580837613 - 15.1330045388702 split increased to 2 itime 155048 + acceleration/energy drift too large 5.13068757938026 + 28.9803708738165 split increased to 2 itime 154617 itsplit 1 - acceleration/energy drift too large 12.5554264604503 - 87.2031899409908 split increased to 2 itime 155391 + acceleration/energy drift too large 5.48081468504079 + 18.4312582258322 split increased to 2 itime 154658 itsplit 1 +Momenta zeroed out, time 30999.80 Momenta zeroed out, time 31199.80 - acceleration/energy drift too large 2.40769631133891 - 11.2524402134977 split increased to 2 itime 156051 + acceleration/energy drift too large 4.49775711317711 + 19.9486828724003 split increased to 2 itime 156189 itsplit 1 - acceleration/energy drift too large 2.65207543236979 - 15.3311803642914 split increased to 2 itime 156623 + acceleration/energy drift too large 3.14450728678212 + 18.3006966339433 split increased to 2 itime 156190 + itsplit 1 + acceleration/energy drift too large 6.27144665471873 + 16.7837525593294 split increased to 2 itime 156944 itsplit 1 Momenta zeroed out, time 31399.80 -Momenta zeroed out, time 31599.80 - acceleration/energy drift too large 3.32053990695097 - 10.5894960230809 split increased to 2 itime 158968 + acceleration/energy drift too large 3.06180693334875 + 13.9745253406223 split increased to 2 itime 157144 + itsplit 1 + acceleration/energy drift too large 11.9256246923666 + 57.9923205284125 split increased to 2 itime 157191 + itsplit 1 + acceleration/energy drift too large 2.92644163554478 + 14.0604377325644 split increased to 4 itime 157191 + itsplit 2 + acceleration/energy drift too large 7.62673618223690 + 38.8637446922259 split increased to 2 itime 157653 + itsplit 1 + acceleration/energy drift too large 2.45732268819424 + 12.6140498354565 split increased to 4 itime 157653 itsplit 1 + acceleration/energy drift too large 7.72331258465306 + 59.2945151136126 split increased to 2 itime 157765 + itsplit 1 + acceleration/energy drift too large 4.75324461052776 + 15.1691402751872 split increased to 2 itime 157834 + itsplit 1 +Momenta zeroed out, time 31599.80 Momenta zeroed out, time 31799.80 - acceleration/energy drift too large 6.17334130432289 - 14.6494358956086 split increased to 2 itime 159616 + acceleration/energy drift too large 3.48899525299454 + 11.5077404560491 split increased to 2 itime 159618 + itsplit 1 + acceleration/energy drift too large 5.09004288644808 + 13.3359886829697 split increased to 2 itime 159765 itsplit 1 Velocities reset to random values, time 31999.80 Momenta zeroed out, time 31999.80 -Momenta zeroed out, time 32199.80 - acceleration/energy drift too large 7.47724367686216 - 22.6734819873849 split increased to 2 itime 161093 - itsplit 1 - acceleration/energy drift too large 1.32408134730278 - 10.4732588082157 split increased to 2 itime 161237 + acceleration/energy drift too large 1.84389141928035 + 12.7287553416764 split increased to 2 itime 160771 itsplit 1 - acceleration/energy drift too large 2.94712260149489 - 19.0180214460683 split increased to 2 itime 161674 + acceleration/energy drift too large 10.4532914152413 + 53.2140471573431 split increased to 2 itime 160888 itsplit 1 -Momenta zeroed out, time 32399.80 - acceleration/energy drift too large 4.24359512421478 - 18.4998426275954 split increased to 2 itime 162510 +Momenta zeroed out, time 32199.80 + acceleration/energy drift too large 6.00101291978513 + 15.4591650334982 split increased to 2 itime 161311 itsplit 1 - acceleration/energy drift too large 5.59132151396955 - 20.2272917203019 split increased to 2 itime 162734 + acceleration/energy drift too large 2.68421932149343 + 16.8855281397751 split increased to 2 itime 161636 itsplit 1 +Momenta zeroed out, time 32399.80 Momenta zeroed out, time 32599.80 - acceleration/energy drift too large 11.6328738347389 - 63.5925813235583 split increased to 2 itime 163734 + acceleration/energy drift too large 6.04804230137530 + 29.8350893665130 split increased to 2 itime 163793 itsplit 1 Momenta zeroed out, time 32799.80 - acceleration/energy drift too large 5.19837410384868 - 16.9738577889462 split increased to 2 itime 164684 +Momenta zeroed out, time 32999.80 + acceleration/energy drift too large 2.37022971150465 + 11.5304583022400 split increased to 2 itime 165202 itsplit 1 - acceleration/energy drift too large 2.41821853534440 - 15.0063976671405 split increased to 2 itime 164749 + acceleration/energy drift too large 3.25164293310075 + 20.5879616838816 split increased to 2 itime 165995 itsplit 1 -Momenta zeroed out, time 32999.80 Momenta zeroed out, time 33199.80 - acceleration/energy drift too large 5.24571047473222 - 18.9537702157661 split increased to 2 itime 166093 + acceleration/energy drift too large 3.23894375883798 + 11.3110788478296 split increased to 2 itime 166852 itsplit 1 Momenta zeroed out, time 33399.80 - acceleration/energy drift too large 2.32679004200565 - 16.9028645394927 split increased to 2 itime 167378 + acceleration/energy drift too large 5.08972141493268 + 29.3589146045972 split increased to 2 itime 167852 itsplit 1 Momenta zeroed out, time 33599.80 - acceleration/energy drift too large 7.16130818215594 - 16.1735213132350 split increased to 2 itime 168937 + acceleration/energy drift too large 7.81357684012085 + 29.7571967313963 split increased to 2 itime 168156 + itsplit 1 + acceleration/energy drift too large 9.90870772154048 + 43.2164938944354 split increased to 2 itime 168750 itsplit 1 Momenta zeroed out, time 33799.80 + acceleration/energy drift too large 10.1229523690240 + 50.2421106984731 split increased to 2 itime 169364 + itsplit 1 + acceleration/energy drift too large 2.89052264026154 + 13.7515449780213 split increased to 4 itime 169364 + itsplit 2 Velocities reset to random values, time 33999.80 Momenta zeroed out, time 33999.80 - acceleration/energy drift too large 2.29927184224382 - 12.5612763864599 split increased to 2 itime 170438 + acceleration/energy drift too large 2.72473838069021 + 10.2220560148890 split increased to 2 itime 170311 itsplit 1 - acceleration/energy drift too large 2.39564801409582 - 10.2586159396369 split increased to 2 itime 170439 - itsplit 1 -Momenta zeroed out, time 34199.80 - acceleration/energy drift too large 6.39116394163925 - 17.3414798519613 split increased to 2 itime 171879 + acceleration/energy drift too large 4.80604075963292 + 12.0392370148848 split increased to 2 itime 170340 itsplit 1 - acceleration/energy drift too large 3.28747649482088 - 13.0077304870284 split increased to 2 itime 171880 + acceleration/energy drift too large 4.69237802033670 + 12.5172809466730 split increased to 2 itime 170864 itsplit 1 +Momenta zeroed out, time 34199.80 Momenta zeroed out, time 34399.80 - acceleration/energy drift too large 4.78816628550430 - 31.7618165459362 split increased to 2 itime 172212 - itsplit 1 - acceleration/energy drift too large 4.45214662489601 - 20.2757352333090 split increased to 2 itime 172383 - itsplit 1 - acceleration/energy drift too large 2.36960183280812 - 17.9906290904152 split increased to 2 itime 172907 - itsplit 1 Momenta zeroed out, time 34599.80 - acceleration/energy drift too large 4.84798710000735 - 16.0685799838214 split increased to 2 itime 173515 - itsplit 1 - acceleration/energy drift too large 10.7838948991172 - 68.5005703717748 split increased to 2 itime 173672 - itsplit 1 - acceleration/energy drift too large 3.49873575352549 - 12.3341884680704 split increased to 2 itime 173777 - itsplit 1 - acceleration/energy drift too large 5.86779028812467 - 12.3805674063852 split increased to 2 itime 173858 + acceleration/energy drift too large 4.03449322506142 + 10.4268063711168 split increased to 2 itime 173828 itsplit 1 Momenta zeroed out, time 34799.80 - acceleration/energy drift too large 6.19890376709037 - 16.5539503830869 split increased to 2 itime 174239 - itsplit 1 - acceleration/energy drift too large 4.67480229989259 - 17.9041995129671 split increased to 2 itime 174276 - itsplit 1 - acceleration/energy drift too large 6.11498706586369 - 16.0026460875478 split increased to 2 itime 174566 - itsplit 1 -Momenta zeroed out, time 34999.80 - acceleration/energy drift too large 6.84432037994471 - 12.4034679687975 split increased to 2 itime 175015 - itsplit 1 - acceleration/energy drift too large 4.71627010924898 - 10.9086225737439 split increased to 2 itime 175085 - itsplit 1 - acceleration/energy drift too large 1.76870057763535 - 10.0639683184167 split increased to 2 itime 175341 - itsplit 1 - acceleration/energy drift too large 11.5115710745475 - 62.8047456978292 split increased to 2 itime 175356 +Momenta zeroed out, time 34999.80 + acceleration/energy drift too large 4.11818594125781 + 12.5388500753152 split increased to 2 itime 175601 itsplit 1 Momenta zeroed out, time 35199.80 - acceleration/energy drift too large 5.12652128071629 - 12.6531827995377 split increased to 2 itime 176077 - itsplit 1 - acceleration/energy drift too large 4.87322227470976 - 11.3981258786773 split increased to 2 itime 176433 - itsplit 1 - acceleration/energy drift too large 5.80500137166772 - 20.6105407802121 split increased to 2 itime 176481 - itsplit 1 - acceleration/energy drift too large 2.60420428681415 - 12.3170597783423 split increased to 2 itime 176482 - itsplit 1 Momenta zeroed out, time 35399.80 - acceleration/energy drift too large 8.40874145849952 - 35.1960356482275 split increased to 2 itime 177218 - itsplit 1 - acceleration/energy drift too large 3.03793175631503 - 20.7750496896447 split increased to 2 itime 177736 + acceleration/energy drift too large 4.40787914460123 + 19.8071297338027 split increased to 2 itime 177531 itsplit 1 Momenta zeroed out, time 35599.80 - acceleration/energy drift too large 14.7562733692373 - 87.0969926618152 split increased to 2 itime 178297 - itsplit 1 - acceleration/energy drift too large 4.68456665090734 - 11.5361135071839 split increased to 2 itime 178789 + acceleration/energy drift too large 2.97530230160483 + 13.1392926157967 split increased to 2 itime 178223 itsplit 1 Momenta zeroed out, time 35799.80 - acceleration/energy drift too large 5.61469655458669 - 46.0642666757339 split increased to 2 itime 179523 - itsplit 1 Velocities reset to random values, time 35999.80 Momenta zeroed out, time 35999.80 -Momenta zeroed out, time 36199.80 - acceleration/energy drift too large 6.38483285411722 - 14.7874222352450 split increased to 2 itime 181184 + acceleration/energy drift too large 4.82734585175403 + 15.2078145636171 split increased to 2 itime 180046 + itsplit 1 + acceleration/energy drift too large 3.14799052394395 + 15.1271223173037 split increased to 2 itime 180137 itsplit 1 +Momenta zeroed out, time 36199.80 Momenta zeroed out, time 36399.80 - acceleration/energy drift too large 5.60194894965461 - 19.8096188893609 split increased to 2 itime 182079 + acceleration/energy drift too large 3.84193274416288 + 35.4222928154015 split increased to 2 itime 182273 itsplit 1 -Momenta zeroed out, time 36599.80 - acceleration/energy drift too large 3.64209128717456 - 11.4482075353465 split increased to 2 itime 183376 + acceleration/energy drift too large 6.70984462807870 + 31.2349672924009 split increased to 2 itime 182287 itsplit 1 - acceleration/energy drift too large 12.1195135525749 - 67.0327488628160 split increased to 2 itime 183424 + acceleration/energy drift too large 6.77644350618529 + 28.7366529425673 split increased to 2 itime 182694 itsplit 1 +Momenta zeroed out, time 36599.80 Momenta zeroed out, time 36799.80 - acceleration/energy drift too large 6.31864801961426 - 12.3873524632738 split increased to 2 itime 184229 + acceleration/energy drift too large 2.66249402318660 + 11.3067807883732 split increased to 2 itime 184173 + itsplit 1 + acceleration/energy drift too large 5.73818237699638 + 13.0966838716065 split increased to 2 itime 184218 itsplit 1 - acceleration/energy drift too large 6.06452782701473 - 40.7588791002450 split increased to 2 itime 184611 + acceleration/energy drift too large 8.07846335946837 + 12.3049689005583 split increased to 2 itime 184355 itsplit 1 - acceleration/energy drift too large 8.75842569476313 - 32.2621931803403 split increased to 2 itime 184744 + acceleration/energy drift too large 4.74960760235312 + 13.6188155407217 split increased to 2 itime 184956 itsplit 1 Momenta zeroed out, time 36999.80 - acceleration/energy drift too large 2.54607280696191 - 15.7988218005431 split increased to 2 itime 185085 + acceleration/energy drift too large 4.74564945571334 + 12.3190539950073 split increased to 2 itime 185283 itsplit 1 - acceleration/energy drift too large 3.98622917865392 - 20.9744989260612 split increased to 2 itime 185230 +Momenta zeroed out, time 37199.80 + acceleration/energy drift too large 4.26688533231856 + 14.7526271675499 split increased to 2 itime 186030 itsplit 1 - acceleration/energy drift too large 5.86016196654469 - 40.2076764208370 split increased to 2 itime 185509 + acceleration/energy drift too large 6.78502311175473 + 15.1939007038615 split increased to 2 itime 186246 itsplit 1 -Momenta zeroed out, time 37199.80 - acceleration/energy drift too large 2.43139715447430 - 13.4494189959054 split increased to 2 itime 186440 + acceleration/energy drift too large 2.24559584866247 + 11.4020012529518 split increased to 2 itime 186853 itsplit 1 Momenta zeroed out, time 37399.80 Momenta zeroed out, time 37599.80 - acceleration/energy drift too large 2.82002380517469 - 10.4335951991693 split increased to 2 itime 188732 - itsplit 1 - acceleration/energy drift too large 10.6925146111515 - 48.5996243552744 split increased to 2 itime 188999 - itsplit 1 Momenta zeroed out, time 37799.80 - acceleration/energy drift too large 5.30126744964024 - 13.6435783942589 split increased to 2 itime 189304 - itsplit 1 - acceleration/energy drift too large 2.55626407465048 - 13.7385038193572 split increased to 2 itime 189869 - itsplit 1 Velocities reset to random values, time 37999.80 Momenta zeroed out, time 37999.80 - acceleration/energy drift too large 11.1750878290467 - 61.6513118275642 split increased to 2 itime 190170 - itsplit 1 - acceleration/energy drift too large 3.04449955865432 - 10.8217785979925 split increased to 2 itime 190261 - itsplit 1 - acceleration/energy drift too large 3.61479735993912 - 18.3881584785695 split increased to 2 itime 190953 + acceleration/energy drift too large 5.02829917766142 + 12.4380905709731 split increased to 2 itime 190245 itsplit 1 Momenta zeroed out, time 38199.80 - acceleration/energy drift too large 6.27368978055888 - 17.2742230011033 split increased to 2 itime 191924 + acceleration/energy drift too large 5.25211738369271 + 13.1395834290346 split increased to 2 itime 191123 itsplit 1 -Momenta zeroed out, time 38399.80 - acceleration/energy drift too large 3.99756351445824 - 16.2581967658288 split increased to 2 itime 192140 + acceleration/energy drift too large 3.81106566765634 + 11.4981808013587 split increased to 2 itime 191678 itsplit 1 +Momenta zeroed out, time 38399.80 Momenta zeroed out, time 38599.80 - acceleration/energy drift too large 4.02704921250786 - 15.8978103664196 split increased to 2 itime 193022 - itsplit 1 - acceleration/energy drift too large 3.76770762088975 - 13.8515268260580 split increased to 2 itime 193344 + acceleration/energy drift too large 4.44846825426876 + 23.1460592078780 split increased to 2 itime 193804 itsplit 1 Momenta zeroed out, time 38799.80 - acceleration/energy drift too large 3.63721941255875 - 11.7519759876785 split increased to 2 itime 194143 - itsplit 1 - acceleration/energy drift too large 5.43348775809930 - 32.6196934005287 split increased to 2 itime 194251 + acceleration/energy drift too large 3.75795617735803 + 13.9509091754505 split increased to 2 itime 194023 itsplit 1 - acceleration/energy drift too large 16.0382963651807 - 92.0132093679539 split increased to 2 itime 194709 - itsplit 1 - acceleration/energy drift too large 2.23302129560046 - 10.3492103983367 split increased to 4 itime 194709 + acceleration/energy drift too large 5.61615835066294 + 19.3063704879177 split increased to 2 itime 194848 itsplit 1 Momenta zeroed out, time 38999.80 + acceleration/energy drift too large 6.77136728739574 + 19.9716089239460 split increased to 2 itime 195327 + itsplit 1 Momenta zeroed out, time 39199.80 - acceleration/energy drift too large 4.13170330746437 - 10.8983356018224 split increased to 2 itime 196460 + acceleration/energy drift too large 6.23001978037271 + 28.0399879408520 split increased to 2 itime 196040 itsplit 1 - acceleration/energy drift too large 4.70252566354761 - 15.1040391861229 split increased to 2 itime 196888 + acceleration/energy drift too large 2.91532259764379 + 20.4786093966967 split increased to 2 itime 196355 itsplit 1 Momenta zeroed out, time 39399.80 - acceleration/energy drift too large 6.01062697527448 - 28.7199851287714 split increased to 2 itime 197714 - itsplit 1 - acceleration/energy drift too large 8.28400900084057 - 26.8997849921859 split increased to 2 itime 197877 - itsplit 1 Momenta zeroed out, time 39599.80 - acceleration/energy drift too large 5.11332780220640 - 29.3031162423319 split increased to 2 itime 198907 - itsplit 1 - acceleration/energy drift too large 2.38679097217429 - 12.2320109917938 split increased to 2 itime 198986 + acceleration/energy drift too large 5.66790842604849 + 17.0235607227148 split increased to 2 itime 198447 itsplit 1 Momenta zeroed out, time 39799.80 - acceleration/energy drift too large 8.37838441758700 - 32.7457716427705 split increased to 2 itime 199813 + acceleration/energy drift too large 2.83322652421581 + 18.5009480578784 split increased to 2 itime 199334 + itsplit 1 + acceleration/energy drift too large 5.18238174074808 + 11.1965465034276 split increased to 2 itime 199867 itsplit 1 Velocities reset to random values, time 39999.80 Momenta zeroed out, time 39999.80 Momenta zeroed out, time 40199.80 -Momenta zeroed out, time 40399.80 - acceleration/energy drift too large 3.55825715622893 - 15.0147458497844 split increased to 2 itime 202733 - itsplit 1 - acceleration/energy drift too large 3.16884242743759 - 11.1784616234121 split increased to 2 itime 202747 - itsplit 1 - acceleration/energy drift too large 6.45570623382662 - 14.5347616245280 split increased to 2 itime 202773 + acceleration/energy drift too large 4.50505683462817 + 23.6860844981290 split increased to 2 itime 201005 itsplit 1 +Momenta zeroed out, time 40399.80 Momenta zeroed out, time 40599.80 - acceleration/energy drift too large 6.49267203585641 - 11.1292338474806 split increased to 2 itime 203189 - itsplit 1 - acceleration/energy drift too large 2.25790404355152 - 12.6749172198570 split increased to 2 itime 203227 - itsplit 1 - acceleration/energy drift too large 5.12162465392376 - 20.0416166349898 split increased to 2 itime 203575 + acceleration/energy drift too large 4.47148003983578 + 10.7645381018577 split increased to 2 itime 203024 itsplit 1 Momenta zeroed out, time 40799.80 - acceleration/energy drift too large 7.39176730298515 - 19.8397201065831 split increased to 2 itime 204262 + acceleration/energy drift too large 5.34123075982792 + 12.8673502452966 split increased to 2 itime 204064 itsplit 1 -Momenta zeroed out, time 40999.80 - acceleration/energy drift too large 6.65875480256547 - 18.7999350939248 split increased to 2 itime 205261 - itsplit 1 - acceleration/energy drift too large 13.0305924243851 - 65.5036457900636 split increased to 2 itime 205336 + acceleration/energy drift too large 7.35316083476879 + 20.7161971549740 split increased to 2 itime 204901 itsplit 1 - acceleration/energy drift too large 3.87457745297917 - 13.6639365354138 split increased to 2 itime 205378 - itsplit 1 - acceleration/energy drift too large 9.96722302203860 - 49.4426426090835 split increased to 2 itime 205460 +Momenta zeroed out, time 40999.80 + acceleration/energy drift too large 4.90677706378381 + 19.6620168698460 split increased to 2 itime 205570 itsplit 1 Momenta zeroed out, time 41199.80 - acceleration/energy drift too large 2.71774577457297 - 14.8338034071759 split increased to 2 itime 206082 - itsplit 1 - acceleration/energy drift too large 6.76958727918197 - 11.9330282464425 split increased to 2 itime 206245 - itsplit 1 - acceleration/energy drift too large 5.65574887082595 - 30.3978016407551 split increased to 2 itime 206837 - itsplit 1 - acceleration/energy drift too large 5.23676427693484 - 20.5174180756540 split increased to 2 itime 206948 - itsplit 1 - acceleration/energy drift too large 4.56068041462301 - 14.2358264701074 split increased to 2 itime 206980 - itsplit 1 - acceleration/energy drift too large 1.37592709218990 - 10.5497717339989 split increased to 4 itime 206980 - itsplit 1 Momenta zeroed out, time 41399.80 - acceleration/energy drift too large 10.6471871931547 - 57.8683352965817 split increased to 2 itime 207119 - itsplit 1 - acceleration/energy drift too large 3.19850607596884 - 12.8261734016217 split increased to 2 itime 207871 - itsplit 1 Momenta zeroed out, time 41599.80 - acceleration/energy drift too large 6.36580322616980 - 24.3359383135593 split increased to 2 itime 208251 + acceleration/energy drift too large 6.93126915604458 + 14.5424672039122 split increased to 2 itime 208059 itsplit 1 - acceleration/energy drift too large 5.79893591699707 - 18.9391668289278 split increased to 2 itime 208445 + acceleration/energy drift too large 4.03450025352911 + 18.1911906882099 split increased to 2 itime 208499 itsplit 1 - acceleration/energy drift too large 10.2586783886918 - 48.5580110979024 split increased to 2 itime 208586 +Momenta zeroed out, time 41799.80 + acceleration/energy drift too large 2.97557375208187 + 23.0606282473162 split increased to 2 itime 209423 itsplit 1 - acceleration/energy drift too large 5.27478072556334 - 12.1515807321961 split increased to 2 itime 208894 + acceleration/energy drift too large 8.86055534728500 + 25.4445759104114 split increased to 2 itime 209632 itsplit 1 -Momenta zeroed out, time 41799.80 - acceleration/energy drift too large 7.93340351627017 - 11.9223275459681 split increased to 2 itime 209950 + acceleration/energy drift too large 4.44941788332511 + 11.5039145006576 split increased to 2 itime 209720 itsplit 1 Velocities reset to random values, time 41999.80 Momenta zeroed out, time 41999.80 Momenta zeroed out, time 42199.80 Momenta zeroed out, time 42399.80 - acceleration/energy drift too large 4.77620847211171 - 12.9368370159575 split increased to 2 itime 212107 - itsplit 1 - acceleration/energy drift too large 6.86341527162796 - 15.8291890300943 split increased to 2 itime 212575 - itsplit 1 Momenta zeroed out, time 42599.80 Momenta zeroed out, time 42799.80 - acceleration/energy drift too large 3.09440767040740 - 15.8977910122621 split increased to 2 itime 214735 - itsplit 1 Momenta zeroed out, time 42999.80 Momenta zeroed out, time 43199.80 - acceleration/energy drift too large 4.47735671892806 - 10.9480201660319 split increased to 2 itime 216155 + acceleration/energy drift too large 6.86618957721228 + 18.8799455624967 split increased to 2 itime 216524 itsplit 1 Momenta zeroed out, time 43399.80 - acceleration/energy drift too large 5.15903091030943 - 23.4497801233517 split increased to 2 itime 217355 + acceleration/energy drift too large 3.48914689712583 + 13.4235993877651 split increased to 2 itime 217381 itsplit 1 Momenta zeroed out, time 43599.80 - acceleration/energy drift too large 4.89605314624925 - 13.4401472458711 split increased to 2 itime 218140 + acceleration/energy drift too large 6.35472547746522 + 13.0487132246222 split increased to 2 itime 218014 itsplit 1 - acceleration/energy drift too large 5.25141011363922 - 28.4241702173853 split increased to 2 itime 218451 + acceleration/energy drift too large 4.71170657885134 + 12.9831627530679 split increased to 2 itime 218031 itsplit 1 - acceleration/energy drift too large 3.31770093863929 - 10.6184784241058 split increased to 2 itime 218617 + acceleration/energy drift too large 4.91874866513107 + 11.5669041595293 split increased to 2 itime 218107 itsplit 1 Momenta zeroed out, time 43799.80 + acceleration/energy drift too large 4.88701604720775 + 12.3223494693080 split increased to 2 itime 219221 + itsplit 1 Velocities reset to random values, time 43999.80 Momenta zeroed out, time 43999.80 - acceleration/energy drift too large 5.37944454506665 - 20.2647120011137 split increased to 2 itime 220224 +Momenta zeroed out, time 44199.80 + acceleration/energy drift too large 5.32634147976481 + 12.6631867294045 split increased to 2 itime 221944 + itsplit 1 +Momenta zeroed out, time 44399.80 + acceleration/energy drift too large 4.59023721420457 + 12.2487758619800 split increased to 2 itime 222347 itsplit 1 - acceleration/energy drift too large 5.56328580151004 - 14.2176763326820 split increased to 2 itime 220742 +Momenta zeroed out, time 44599.80 +Momenta zeroed out, time 44799.80 +Momenta zeroed out, time 44999.80 +Momenta zeroed out, time 45199.80 +Momenta zeroed out, time 45399.80 + acceleration/energy drift too large 5.66813586534904 + 13.2958766701989 split increased to 2 itime 227134 itsplit 1 -Momenta zeroed out, time 44199.80 - acceleration/energy drift too large 2.71855593133927 - 18.0382843260821 split increased to 2 itime 221119 + acceleration/energy drift too large 4.09398436149431 + 11.8588801258733 split increased to 2 itime 227731 itsplit 1 - acceleration/energy drift too large 4.83203135423595 - 14.2341968529406 split increased to 2 itime 221377 +Momenta zeroed out, time 45599.80 +Momenta zeroed out, time 45799.80 + acceleration/energy drift too large 3.42899256850705 + 11.9087956048404 split increased to 2 itime 229058 itsplit 1 - acceleration/energy drift too large 4.18305975523575 - 12.4070815257006 split increased to 2 itime 221651 + acceleration/energy drift too large 5.36331464002873 + 15.5482524466676 split increased to 2 itime 229897 itsplit 1 - acceleration/energy drift too large 2.62533204413858 - 15.2750638335524 split increased to 2 itime 221678 +Velocities reset to random values, time 45999.80 +Momenta zeroed out, time 45999.80 + acceleration/energy drift too large 6.33563839993279 + 17.7570164758058 split increased to 2 itime 230121 itsplit 1 -Momenta zeroed out, time 44399.80 - acceleration/energy drift too large 4.78610614424110 - 13.0885004562530 split increased to 2 itime 222783 + acceleration/energy drift too large 2.81988324575915 + 14.1010898559152 split increased to 4 itime 230121 itsplit 1 -Momenta zeroed out, time 44599.80 - acceleration/energy drift too large 2.16079811222791 - 10.3270902991005 split increased to 2 itime 223143 + acceleration/energy drift too large 4.06208520757071 + 13.1640155890100 split increased to 2 itime 230575 itsplit 1 - acceleration/energy drift too large 5.95786366266202 - 27.2860115564756 split increased to 2 itime 223931 +Momenta zeroed out, time 46199.80 + acceleration/energy drift too large 5.56801943723031 + 21.2836819672968 split increased to 2 itime 231057 itsplit 1 -Momenta zeroed out, time 44799.80 - acceleration/energy drift too large 2.75293504218695 - 14.7952549074738 split increased to 2 itime 224136 + acceleration/energy drift too large 5.26471491359037 + 28.9605982190307 split increased to 2 itime 231405 itsplit 1 - acceleration/energy drift too large 4.82892184669645 - 12.4516306531786 split increased to 2 itime 224309 + acceleration/energy drift too large 12.7841960759823 + 76.0633067952569 split increased to 2 itime 231558 itsplit 1 - acceleration/energy drift too large 3.79385315620473 - 19.8489660203244 split increased to 2 itime 224310 + acceleration/energy drift too large 4.69159947106771 + 13.6107909965752 split increased to 2 itime 231970 itsplit 1 - acceleration/energy drift too large 4.25763585640959 - 15.4955007525215 split increased to 2 itime 224699 +Momenta zeroed out, time 46399.80 + acceleration/energy drift too large 6.10414685227890 + 16.0451239345425 split increased to 2 itime 232160 itsplit 1 -Momenta zeroed out, time 44999.80 - acceleration/energy drift too large 4.28290087073709 - 14.6750523513739 split increased to 2 itime 225461 + acceleration/energy drift too large 4.09339980497182 + 23.6879753162628 split increased to 2 itime 232601 itsplit 1 - acceleration/energy drift too large 5.46019023544151 - 14.6476495036486 split increased to 2 itime 225880 + acceleration/energy drift too large 3.25940028915656 + 12.0236126364234 split increased to 2 itime 232632 itsplit 1 -Momenta zeroed out, time 45199.80 - acceleration/energy drift too large 6.78288900200031 - 11.7300259346845 split increased to 2 itime 226885 +Momenta zeroed out, time 46599.80 +Momenta zeroed out, time 46799.80 + acceleration/energy drift too large 2.06893319288899 + 11.4996181804741 split increased to 2 itime 234593 itsplit 1 - acceleration/energy drift too large 3.94063450911711 - 11.5896271005270 split increased to 2 itime 226980 + acceleration/energy drift too large 2.26213422987603 + 10.6428796137642 split increased to 2 itime 234623 itsplit 1 - acceleration/energy drift too large 3.22250526480721 - 13.9637982337071 split increased to 2 itime 226981 +Momenta zeroed out, time 46999.80 + acceleration/energy drift too large 4.04452523005062 + 14.5754710955983 split increased to 2 itime 235026 itsplit 1 -Momenta zeroed out, time 45399.80 -Momenta zeroed out, time 45599.80 - acceleration/energy drift too large 5.21281716349486 - 25.4881472022668 split increased to 2 itime 228774 + acceleration/energy drift too large 3.65834382047452 + 11.5719037982351 split increased to 2 itime 235273 itsplit 1 -Momenta zeroed out, time 45799.80 - acceleration/energy drift too large 18.1807159631980 - 115.634568314626 split increased to 2 itime 229515 + acceleration/energy drift too large 6.62070178960832 + 10.6980241286528 split increased to 2 itime 235277 itsplit 1 -Velocities reset to random values, time 45999.80 -Momenta zeroed out, time 45999.80 - acceleration/energy drift too large 6.24078245982060 - 32.2524099962507 split increased to 2 itime 230364 + acceleration/energy drift too large 4.56768355990421 + 11.6027975806626 split increased to 2 itime 235279 itsplit 1 - acceleration/energy drift too large 5.08820137501171 - 26.2343035951017 split increased to 2 itime 230400 + acceleration/energy drift too large 2.79479178092187 + 10.2341309823220 split increased to 2 itime 235280 itsplit 1 -Momenta zeroed out, time 46199.80 -Momenta zeroed out, time 46399.80 -Momenta zeroed out, time 46599.80 - acceleration/energy drift too large 9.79325463348897 - 45.1269904434543 split increased to 2 itime 233216 + acceleration/energy drift too large 5.46560689921531 + 14.9197433521244 split increased to 2 itime 235283 itsplit 1 - acceleration/energy drift too large 4.74032981199283 - 23.9579535717288 split increased to 2 itime 233406 + acceleration/energy drift too large 7.62686025327304 + 13.0541224736075 split increased to 2 itime 235285 itsplit 1 -Momenta zeroed out, time 46799.80 - acceleration/energy drift too large 9.33785657321828 - 21.9242613981974 split increased to 2 itime 234083 + acceleration/energy drift too large 3.44973845532348 + 12.4528881459173 split increased to 2 itime 235286 itsplit 1 -Momenta zeroed out, time 46999.80 - acceleration/energy drift too large 1.81538058576473 - 10.5007451882484 split increased to 2 itime 235426 + acceleration/energy drift too large 10.0854704944397 + 12.7783828150853 split increased to 2 itime 235289 itsplit 1 - acceleration/energy drift too large 9.79448933399518 - 44.7903946540857 split increased to 2 itime 235428 + acceleration/energy drift too large 2.42799246001050 + 12.6907002231447 split increased to 2 itime 235291 itsplit 1 - acceleration/energy drift too large 5.05152204905645 - 10.1506711425460 split increased to 2 itime 235586 + acceleration/energy drift too large 8.71066798936306 + 22.6140978582122 split increased to 2 itime 235292 itsplit 1 -Momenta zeroed out, time 47199.80 - acceleration/energy drift too large 3.47135278305175 - 12.0863133040139 split increased to 2 itime 236321 + acceleration/energy drift too large 3.54841687107917 + 12.5997150698336 split increased to 2 itime 235293 itsplit 1 - acceleration/energy drift too large 5.81826157813449 - 13.6597891529389 split increased to 2 itime 236979 + acceleration/energy drift too large 8.51579068858504 + 13.1880694680714 split increased to 2 itime 235294 itsplit 1 + acceleration/energy drift too large 4.27967774592628 + 10.5169570103464 split increased to 2 itime 235298 + itsplit 1 + acceleration/energy drift too large 8.50417035453581 + 32.1119150927725 split increased to 2 itime 235789 + itsplit 1 +Momenta zeroed out, time 47199.80 Momenta zeroed out, time 47399.80 - acceleration/energy drift too large 2.67390962391884 - 12.1687404542693 split increased to 2 itime 237494 + acceleration/energy drift too large 3.08509014628823 + 19.6525771175104 split increased to 2 itime 237027 itsplit 1 Momenta zeroed out, time 47599.80 + acceleration/energy drift too large 5.75351618358534 + 29.7066252941529 split increased to 2 itime 238037 + itsplit 1 + acceleration/energy drift too large 4.44642262949834 + 13.5562349298214 split increased to 2 itime 238416 + itsplit 1 Momenta zeroed out, time 47799.80 - acceleration/energy drift too large 5.25094184699599 - 19.0443755996189 split increased to 2 itime 239642 + acceleration/energy drift too large 7.36326614550692 + 12.6694533171106 split increased to 2 itime 239418 + itsplit 1 + acceleration/energy drift too large 6.74435634044728 + 17.3760838153795 split increased to 2 itime 239465 + itsplit 1 + acceleration/energy drift too large 5.85530320315356 + 13.6729039924025 split increased to 2 itime 239790 itsplit 1 Velocities reset to random values, time 47999.80 Momenta zeroed out, time 47999.80 Momenta zeroed out, time 48199.80 -Momenta zeroed out, time 48399.80 - acceleration/energy drift too large 4.02409988960462 - 10.9607250090212 split increased to 2 itime 242101 + acceleration/energy drift too large 4.23024561845789 + 11.5278764380765 split increased to 2 itime 241152 itsplit 1 - acceleration/energy drift too large 1.47049857859163 - 10.5849362705577 split increased to 2 itime 242342 + acceleration/energy drift too large 3.77784306282137 + 10.6452875949226 split increased to 2 itime 241702 + itsplit 1 + acceleration/energy drift too large 7.89652231198416 + 17.2643684401978 split increased to 2 itime 241857 + itsplit 1 + acceleration/energy drift too large 8.60341770828611 + 33.2386495864257 split increased to 2 itime 241871 + itsplit 1 +Momenta zeroed out, time 48399.80 + acceleration/energy drift too large 2.16016986224551 + 10.6935850952620 split increased to 2 itime 242075 itsplit 1 Momenta zeroed out, time 48599.80 - acceleration/energy drift too large 3.63631350360860 - 25.8264959262982 split increased to 2 itime 243211 + acceleration/energy drift too large 8.73181353481007 + 32.7435356816647 split increased to 2 itime 243126 itsplit 1 Momenta zeroed out, time 48799.80 + acceleration/energy drift too large 2.58030602657736 + 16.5713968015907 split increased to 2 itime 244472 + itsplit 1 Momenta zeroed out, time 48999.80 - acceleration/energy drift too large 5.62517865931930 - 21.0115894439870 split increased to 2 itime 245719 + acceleration/energy drift too large 4.83965694390754 + 13.0391468462814 split increased to 2 itime 245328 + itsplit 1 + acceleration/energy drift too large 6.90637642916457 + 19.6434459267642 split increased to 2 itime 245672 itsplit 1 Momenta zeroed out, time 49199.80 + acceleration/energy drift too large 4.70463858764003 + 12.0122330469930 split increased to 2 itime 246254 + itsplit 1 + acceleration/energy drift too large 4.67925324307654 + 26.3259779735439 split increased to 2 itime 246295 + itsplit 1 + acceleration/energy drift too large 5.27328751030407 + 25.1352519043571 split increased to 2 itime 246442 + itsplit 1 Momenta zeroed out, time 49399.80 + acceleration/energy drift too large 5.93418334960445 + 12.9950012271371 split increased to 2 itime 247096 + itsplit 1 Momenta zeroed out, time 49599.80 + acceleration/energy drift too large 5.65445180486745 + 19.7098609883540 split increased to 2 itime 248890 + itsplit 1 Momenta zeroed out, time 49799.80 - acceleration/energy drift too large 3.32021333729699 - 17.1516472759762 split increased to 2 itime 249049 + acceleration/energy drift too large 2.74599657445826 + 14.5284532227004 split increased to 2 itime 249088 itsplit 1 - acceleration/energy drift too large 2.97645083806718 - 11.3390793623184 split increased to 2 itime 249462 + acceleration/energy drift too large 4.78022584562480 + 12.2186245924952 split increased to 2 itime 249124 itsplit 1 - acceleration/energy drift too large 6.93106264825555 - 31.6621572089421 split increased to 2 itime 249824 + acceleration/energy drift too large 7.77767679662134 + 15.5831915777628 split increased to 2 itime 249640 itsplit 1 Velocities reset to random values, time 49999.80 Momenta zeroed out, time 49999.80 - acceleration/energy drift too large 5.25096646505154 - 32.8334593977001 split increased to 2 itime 250442 + acceleration/energy drift too large 10.6973723711767 + 40.5678056916106 split increased to 2 itime 250196 itsplit 1 - acceleration/energy drift too large 6.56629383593153 - 42.7337189291245 split increased to 2 itime 250538 + acceleration/energy drift too large 2.68773744260827 + 11.0631798268586 split increased to 2 itime 250677 itsplit 1 - acceleration/energy drift too large 11.2638643246733 - 65.4131140656275 split increased to 2 itime 250565 + acceleration/energy drift too large 11.1254363195504 + 56.3521471947017 split increased to 2 itime 250910 itsplit 1 Momenta zeroed out, time 50199.80 - acceleration/energy drift too large 6.22766604382465 - 25.3464088414927 split increased to 2 itime 251200 - itsplit 1 - acceleration/energy drift too large 7.22508722586075 - 61.6960206714405 split increased to 2 itime 251773 - itsplit 1 - acceleration/energy drift too large 2.29501258998649 - 10.1824593044922 split increased to 2 itime 251829 + acceleration/energy drift too large 3.85236791713803 + 12.2794226996429 split increased to 2 itime 251016 itsplit 1 Momenta zeroed out, time 50399.80 - acceleration/energy drift too large 2.96945498103589 - 12.6708157541377 split increased to 2 itime 252710 + acceleration/energy drift too large 4.93105735910478 + 12.1017794054843 split increased to 2 itime 252862 itsplit 1 -Momenta zeroed out, time 50599.80 - acceleration/energy drift too large 4.84264418981549 - 14.1118441776506 split increased to 2 itime 253050 + acceleration/energy drift too large 6.70554511380150 + 26.1477701355021 split increased to 2 itime 252943 itsplit 1 - acceleration/energy drift too large 4.01076067233881 - 28.6079185006905 split increased to 2 itime 253231 +Momenta zeroed out, time 50599.80 + acceleration/energy drift too large 13.8934846445531 + 82.9632511538184 split increased to 2 itime 253189 itsplit 1 Momenta zeroed out, time 50799.80 Momenta zeroed out, time 50999.80 - acceleration/energy drift too large 2.97931947097532 - 14.1750516943349 split increased to 2 itime 255456 - itsplit 1 - acceleration/energy drift too large 6.02212338899881 - 20.1726316661754 split increased to 2 itime 255653 - itsplit 1 - acceleration/energy drift too large 6.54171919460557 - 10.3889509336347 split increased to 2 itime 255934 - itsplit 1 Momenta zeroed out, time 51199.80 - acceleration/energy drift too large 6.40411804301353 - 19.6134495841626 split increased to 2 itime 256019 - itsplit 1 - acceleration/energy drift too large 12.3081732547269 - 64.6435570125886 split increased to 2 itime 256653 - itsplit 1 Momenta zeroed out, time 51399.80 - acceleration/energy drift too large 4.69429628596186 - 25.4837125711682 split increased to 2 itime 257198 - itsplit 1 Momenta zeroed out, time 51599.80 - acceleration/energy drift too large 4.14936610126585 - 14.5051326813329 split increased to 2 itime 258008 - itsplit 1 - acceleration/energy drift too large 2.51225471299277 - 10.5803506159945 split increased to 2 itime 258016 + acceleration/energy drift too large 3.90158525868109 + 18.6286577523186 split increased to 2 itime 258934 itsplit 1 Momenta zeroed out, time 51799.80 - acceleration/energy drift too large 3.74791691207632 - 30.1966787596385 split increased to 2 itime 259191 - itsplit 1 - acceleration/energy drift too large 2.73821620449098 - 15.0738646949880 split increased to 2 itime 259302 - itsplit 1 - acceleration/energy drift too large 9.05104779559761 - 32.2333670267421 split increased to 2 itime 259761 - itsplit 1 Velocities reset to random values, time 51999.80 Momenta zeroed out, time 51999.80 - acceleration/energy drift too large 5.00887846385810 - 17.3485999685970 split increased to 2 itime 260763 - itsplit 1 Momenta zeroed out, time 52199.80 - acceleration/energy drift too large 2.28269345468479 - 12.0570925722149 split increased to 2 itime 261488 - itsplit 1 - acceleration/energy drift too large 2.55864789890528 - 11.0484353456833 split increased to 2 itime 261967 - itsplit 1 - acceleration/energy drift too large 10.3986310468344 - 40.3445933396777 split increased to 2 itime 261983 + acceleration/energy drift too large 10.3969206172793 + 49.8738921982325 split increased to 2 itime 261591 itsplit 1 + acceleration/energy drift too large 2.56113072520856 + 12.2046845176754 split increased to 4 itime 261591 + itsplit 2 Momenta zeroed out, time 52399.80 -Momenta zeroed out, time 52599.80 - acceleration/energy drift too large 3.18547330342261 - 11.5520302261759 split increased to 2 itime 263495 + acceleration/energy drift too large 5.14061668855587 + 16.1393677258729 split increased to 2 itime 262783 itsplit 1 - acceleration/energy drift too large 7.00605192504399 - 51.6899441211187 split increased to 2 itime 263505 +Momenta zeroed out, time 52599.80 + acceleration/energy drift too large 2.28462690147423 + 13.8258900363205 split increased to 2 itime 263387 itsplit 1 Momenta zeroed out, time 52799.80 - acceleration/energy drift too large 11.6659977359121 - 51.7940601019500 split increased to 2 itime 264249 - itsplit 1 - acceleration/energy drift too large 2.71209383853106 - 11.7630398911369 split increased to 2 itime 264885 - itsplit 1 Momenta zeroed out, time 52999.80 - acceleration/energy drift too large 2.44857414853752 - 12.6752800618908 split increased to 2 itime 265568 + acceleration/energy drift too large 3.66587069631788 + 19.1231137896864 split increased to 2 itime 265474 itsplit 1 Momenta zeroed out, time 53199.80 - acceleration/energy drift too large 5.39649912870032 - 17.6973822064103 split increased to 2 itime 266978 + acceleration/energy drift too large 3.23462990158160 + 16.3342553330219 split increased to 2 itime 266370 itsplit 1 Momenta zeroed out, time 53399.80 - acceleration/energy drift too large 2.28026708196449 - 10.1979267415622 split increased to 2 itime 267880 + acceleration/energy drift too large 3.76117418068574 + 13.5718714367451 split increased to 2 itime 267494 itsplit 1 Momenta zeroed out, time 53599.80 Momenta zeroed out, time 53799.80 + acceleration/energy drift too large 10.9170122528811 + 60.1944955659242 split increased to 2 itime 269161 + itsplit 1 Velocities reset to random values, time 53999.80 Momenta zeroed out, time 53999.80 Momenta zeroed out, time 54199.80 - acceleration/energy drift too large 4.87663024289044 - 31.8533574311149 split increased to 2 itime 271303 - itsplit 1 - acceleration/energy drift too large 4.84144743844220 - 16.3243034329147 split increased to 2 itime 271489 + acceleration/energy drift too large 3.72949333267660 + 19.0301375752868 split increased to 2 itime 271677 itsplit 1 Momenta zeroed out, time 54399.80 - acceleration/energy drift too large 8.47175879359015 - 75.3902088437800 split increased to 2 itime 272113 + acceleration/energy drift too large 9.25306281197941 + 34.5423288256846 split increased to 2 itime 272347 itsplit 1 - acceleration/energy drift too large 1.98042619815504 - 15.6868430289156 split increased to 4 itime 272113 - itsplit 2 - acceleration/energy drift too large 4.71647228361699 - 19.6188259807740 split increased to 2 itime 272288 + acceleration/energy drift too large 3.44870002409648 + 11.7087127726314 split increased to 2 itime 272356 itsplit 1 Momenta zeroed out, time 54599.80 - acceleration/energy drift too large 3.83331824640852 - 12.7674680125290 split increased to 2 itime 273043 - itsplit 1 Momenta zeroed out, time 54799.80 - acceleration/energy drift too large 10.4902313082215 - 112.991128321861 split increased to 2 itime 274141 - itsplit 1 - acceleration/energy drift too large 5.33337842047529 - 21.6516050081614 split increased to 2 itime 274594 - itsplit 1 Momenta zeroed out, time 54999.80 - acceleration/energy drift too large 4.31748587209654 - 27.4763545092378 split increased to 2 itime 275963 + acceleration/energy drift too large 2.53171118991890 + 10.0925379786007 split increased to 2 itime 275072 itsplit 1 Momenta zeroed out, time 55199.80 - acceleration/energy drift too large 4.71157206962690 - 25.7358981177182 split increased to 2 itime 276000 - itsplit 1 Momenta zeroed out, time 55399.80 - acceleration/energy drift too large 9.75646021909132 - 35.0441246069501 split increased to 2 itime 277681 + acceleration/energy drift too large 18.0252463162708 + 131.617558233430 split increased to 2 itime 277940 itsplit 1 - acceleration/energy drift too large 13.1446092997526 - 64.6155600890298 split increased to 2 itime 277682 - itsplit 1 - acceleration/energy drift too large 2.68598676194630 - 10.8684738657175 split increased to 4 itime 277682 - itsplit 2 Momenta zeroed out, time 55599.80 - acceleration/energy drift too large 4.34489306713085 - 12.8632498999009 split increased to 2 itime 278356 + acceleration/energy drift too large 5.05005494132390 + 28.0515322833454 split increased to 2 itime 278003 itsplit 1 Momenta zeroed out, time 55799.80 - acceleration/energy drift too large 8.00815613477656 - 22.6430835925976 split increased to 2 itime 279182 - itsplit 1 - acceleration/energy drift too large 3.36206633033235 - 23.4289624482621 split increased to 2 itime 279403 - itsplit 1 Velocities reset to random values, time 55999.80 Momenta zeroed out, time 55999.80 - acceleration/energy drift too large 4.73598248090004 - 13.3752068649918 split increased to 2 itime 280102 - itsplit 1 - acceleration/energy drift too large 12.4478500765397 - 65.0747984659627 split increased to 2 itime 280676 - itsplit 1 - acceleration/energy drift too large 8.42878755150068 - 33.9677353221362 split increased to 2 itime 280739 - itsplit 1 Momenta zeroed out, time 56199.80 - acceleration/energy drift too large 3.77627226015146 - 12.6376300574156 split increased to 2 itime 281103 - itsplit 1 - acceleration/energy drift too large 5.70692864077158 - 26.4869911335554 split increased to 2 itime 281626 - itsplit 1 - acceleration/energy drift too large 1.92725616722265 - 10.1670071523425 split increased to 2 itime 281772 - itsplit 1 Momenta zeroed out, time 56399.80 - acceleration/energy drift too large 5.71382392142783 - 36.4729721832446 split increased to 2 itime 282471 - itsplit 1 Momenta zeroed out, time 56599.80 - acceleration/energy drift too large 3.63100646784356 - 10.9071166119464 split increased to 2 itime 283056 - itsplit 1 - acceleration/energy drift too large 4.66280537729449 - 13.7890936763075 split increased to 2 itime 283396 - itsplit 1 Momenta zeroed out, time 56799.80 - acceleration/energy drift too large 5.09499109514453 - 13.7131420740561 split increased to 2 itime 284198 + acceleration/energy drift too large 2.31681370751658 + 19.6446816818016 split increased to 2 itime 284310 itsplit 1 - acceleration/energy drift too large 2.89786378188021 - 14.9818045607671 split increased to 2 itime 284916 + acceleration/energy drift too large 5.62909789043874 + 13.9807998554900 split increased to 2 itime 284751 itsplit 1 Momenta zeroed out, time 56999.80 - acceleration/energy drift too large 3.18511141234963 - 10.3163534502869 split increased to 2 itime 285098 - itsplit 1 - acceleration/energy drift too large 4.94504396634602 - 13.0676840775030 split increased to 2 itime 285406 - itsplit 1 - acceleration/energy drift too large 4.97971410576505 - 23.8144036217504 split increased to 2 itime 285633 - itsplit 1 - acceleration/energy drift too large 3.33809513055672 - 15.9873453568148 split increased to 2 itime 285826 - itsplit 1 Momenta zeroed out, time 57199.80 + acceleration/energy drift too large 5.39966443647987 + 15.4042338499010 split increased to 2 itime 286138 + itsplit 1 Momenta zeroed out, time 57399.80 + acceleration/energy drift too large 4.27342118357297 + 18.7067998784601 split increased to 2 itime 287441 + itsplit 1 Momenta zeroed out, time 57599.80 - acceleration/energy drift too large 4.78990344819554 - 19.9164266894671 split increased to 2 itime 288816 + acceleration/energy drift too large 1.94949637581554 + 12.4108684112218 split increased to 2 itime 288167 itsplit 1 -Momenta zeroed out, time 57799.80 - acceleration/energy drift too large 7.83285627364094 - 17.5635222360732 split increased to 2 itime 289416 + acceleration/energy drift too large 7.29341589052304 + 16.1844416152937 split increased to 2 itime 288210 itsplit 1 - acceleration/energy drift too large 7.21411860465025 - 10.5553539600116 split increased to 2 itime 289904 + acceleration/energy drift too large 7.50107473050648 + 22.3876091436993 split increased to 2 itime 288679 itsplit 1 +Momenta zeroed out, time 57799.80 Velocities reset to random values, time 57999.80 Momenta zeroed out, time 57999.80 - acceleration/energy drift too large 3.68454982033426 - 27.8430508283901 split increased to 2 itime 290580 - itsplit 1 Momenta zeroed out, time 58199.80 + acceleration/energy drift too large 5.95696069783265 + 16.1149498785224 split increased to 2 itime 291653 + itsplit 1 Momenta zeroed out, time 58399.80 - acceleration/energy drift too large 5.72665014693662 - 17.3789340942210 split increased to 2 itime 292343 + acceleration/energy drift too large 4.27868226438732 + 20.4592171879501 split increased to 2 itime 292545 + itsplit 1 + acceleration/energy drift too large 4.93283820887264 + 17.7645902692162 split increased to 2 itime 292582 itsplit 1 Momenta zeroed out, time 58599.80 Momenta zeroed out, time 58799.80 - acceleration/energy drift too large 3.26375243408886 - 12.3123991359665 split increased to 2 itime 294282 - itsplit 1 - acceleration/energy drift too large 9.11358521808474 - 53.0175674655142 split increased to 2 itime 294962 + acceleration/energy drift too large 6.57487295353239 + 19.5002279380007 split increased to 2 itime 294669 itsplit 1 Momenta zeroed out, time 58999.80 + acceleration/energy drift too large 16.1764389093223 + 75.1779822784098 split increased to 2 itime 295518 + itsplit 1 + acceleration/energy drift too large 3.34123537376250 + 13.2346027274228 split increased to 4 itime 295518 + itsplit 2 + acceleration/energy drift too large 3.82888285279234 + 12.1006656701167 split increased to 2 itime 295720 + itsplit 1 Momenta zeroed out, time 59199.80 - acceleration/energy drift too large 5.68387411439498 - 14.5927987360166 split increased to 2 itime 296030 + acceleration/energy drift too large 5.36421665204571 + 19.1191160695915 split increased to 2 itime 296089 + itsplit 1 + acceleration/energy drift too large 2.91311201354301 + 11.1802253448912 split increased to 2 itime 296123 + itsplit 1 + acceleration/energy drift too large 3.62730642631032 + 10.8986430204120 split increased to 2 itime 296129 + itsplit 1 + acceleration/energy drift too large 4.71554455066855 + 13.5681050888854 split increased to 2 itime 296137 + itsplit 1 + acceleration/energy drift too large 2.50657381742194 + 11.5688874055155 split increased to 2 itime 296138 + itsplit 1 + acceleration/energy drift too large 2.79434181686467 + 12.5265134591044 split increased to 2 itime 296766 itsplit 1 Momenta zeroed out, time 59399.80 + acceleration/energy drift too large 8.28859846144528 + 27.1933049334335 split increased to 2 itime 297018 + itsplit 1 + acceleration/energy drift too large 13.3351843291910 + 100.055083455136 split increased to 2 itime 297520 + itsplit 1 Momenta zeroed out, time 59599.80 + acceleration/energy drift too large 7.71704678283119 + 23.2675298731983 split increased to 2 itime 298426 + itsplit 1 + acceleration/energy drift too large 7.40049864617174 + 15.4668067869800 split increased to 2 itime 298514 + itsplit 1 Momenta zeroed out, time 59799.80 + acceleration/energy drift too large 3.98924482883898 + 15.1018409270728 split increased to 2 itime 299854 + itsplit 1 Velocities reset to random values, time 59999.80 Momenta zeroed out, time 59999.80 - acceleration/energy drift too large 4.83036481482346 - 25.3716889659399 split increased to 2 itime 300980 + acceleration/energy drift too large 2.14897061243298 + 13.3887776557298 split increased to 2 itime 300385 itsplit 1 -Momenta zeroed out, time 60199.80 - acceleration/energy drift too large 3.99639657927175 - 10.8161491666906 split increased to 2 itime 301445 + acceleration/energy drift too large 6.49809345083645 + 12.5973013613203 split increased to 2 itime 300684 itsplit 1 - acceleration/energy drift too large 3.36777245904700 - 17.2812186071262 split increased to 2 itime 301501 + acceleration/energy drift too large 5.07786514968867 + 10.1322702959176 split increased to 2 itime 300687 itsplit 1 -Momenta zeroed out, time 60399.80 - acceleration/energy drift too large 5.63919903333723 - 19.3411926040776 split increased to 2 itime 302867 +Momenta zeroed out, time 60199.80 + acceleration/energy drift too large 3.14864598675340 + 15.9288033193634 split increased to 2 itime 301425 itsplit 1 +Momenta zeroed out, time 60399.80 Momenta zeroed out, time 60599.80 - acceleration/energy drift too large 4.42166685127161 - 18.7897271161140 split increased to 2 itime 303116 +Momenta zeroed out, time 60799.80 + acceleration/energy drift too large 11.2157468959242 + 50.8266463994333 split increased to 2 itime 304704 itsplit 1 - acceleration/energy drift too large 4.41546496688228 - 12.5469334272161 split increased to 2 itime 303117 + acceleration/energy drift too large 3.04913600280542 + 15.2806617754552 split increased to 4 itime 304704 itsplit 1 -Momenta zeroed out, time 60799.80 - acceleration/energy drift too large 11.6009820558736 - 51.4333682897518 split increased to 2 itime 304859 + acceleration/energy drift too large 2.01861823477321 + 10.8129776520199 split increased to 2 itime 304769 + itsplit 1 + acceleration/energy drift too large 2.21790330263258 + 18.2769145753690 split increased to 2 itime 304925 itsplit 1 Momenta zeroed out, time 60999.80 + acceleration/energy drift too large 4.47173763389308 + 11.5540745224042 split increased to 2 itime 305552 + itsplit 1 Momenta zeroed out, time 61199.80 - acceleration/energy drift too large 6.69644105835324 - 12.9278719386519 split increased to 2 itime 306364 + acceleration/energy drift too large 6.68531048114527 + 19.1463030726201 split increased to 2 itime 306084 itsplit 1 -Momenta zeroed out, time 61399.80 - acceleration/energy drift too large 4.75239819883238 - 12.9741161717849 split increased to 2 itime 307575 + acceleration/energy drift too large 2.46484554923131 + 11.4806778567705 split increased to 2 itime 306987 itsplit 1 - acceleration/energy drift too large 3.23867951146793 - 18.0641430048593 split increased to 2 itime 307878 +Momenta zeroed out, time 61399.80 + acceleration/energy drift too large 5.26703605287504 + 18.9385677866462 split increased to 2 itime 307027 itsplit 1 Momenta zeroed out, time 61599.80 - acceleration/energy drift too large 7.92867229865551 - 46.7715835241629 split increased to 2 itime 308004 + acceleration/energy drift too large 3.57908024192743 + 14.8028877052587 split increased to 2 itime 308527 + itsplit 1 + acceleration/energy drift too large 1.63110891691221 + 10.7171782675992 split increased to 2 itime 308570 + itsplit 1 + acceleration/energy drift too large 4.71259249302998 + 24.7614452379423 split increased to 2 itime 308571 + itsplit 1 + acceleration/energy drift too large 3.98579269923850 + 10.4766408419866 split increased to 2 itime 308585 + itsplit 1 + acceleration/energy drift too large 4.16856638962957 + 11.5595285604536 split increased to 2 itime 308614 + itsplit 1 + acceleration/energy drift too large 2.78483921327513 + 10.4579007759171 split increased to 2 itime 308616 itsplit 1 Momenta zeroed out, time 61799.80 - acceleration/energy drift too large 3.57478842170160 - 10.6786811517888 split increased to 2 itime 309746 + acceleration/energy drift too large 2.27350596158338 + 11.9740738607476 split increased to 2 itime 309607 itsplit 1 Velocities reset to random values, time 61999.80 Momenta zeroed out, time 61999.80 -Momenta zeroed out, time 62199.80 - acceleration/energy drift too large 7.86332509585890 - 25.4483791660727 split increased to 2 itime 311259 + acceleration/energy drift too large 4.92996579688597 + 10.8005970781538 split increased to 2 itime 310115 itsplit 1 +Momenta zeroed out, time 62199.80 Momenta zeroed out, time 62399.80 + acceleration/energy drift too large 12.9455386551545 + 61.7361894146642 split increased to 2 itime 312191 + itsplit 1 + acceleration/energy drift too large 3.29649457945915 + 14.5578688656123 split increased to 4 itime 312191 + itsplit 2 Momenta zeroed out, time 62599.80 - acceleration/energy drift too large 3.86911985227731 - 17.7104516132172 split increased to 2 itime 313025 + acceleration/energy drift too large 4.48865925879537 + 14.7142480377148 split increased to 2 itime 313081 itsplit 1 - acceleration/energy drift too large 10.1679657064397 - 42.2117952603653 split increased to 2 itime 313271 + acceleration/energy drift too large 5.61954637794236 + 10.5700360761931 split increased to 2 itime 313153 itsplit 1 - acceleration/energy drift too large 12.7896201451139 - 74.3493026698730 split increased to 2 itime 313289 + acceleration/energy drift too large 2.58096790026660 + 11.0874961764003 split increased to 2 itime 313578 itsplit 1 -Momenta zeroed out, time 62799.80 - acceleration/energy drift too large 2.52108488596918 - 14.7456487353592 split increased to 2 itime 314586 + acceleration/energy drift too large 4.71503952444633 + 13.8099131282581 split increased to 2 itime 313650 itsplit 1 - acceleration/energy drift too large 3.40999585763206 - 10.6984907887543 split increased to 2 itime 314756 + acceleration/energy drift too large 3.54644330695044 + 13.6487751419474 split increased to 2 itime 313894 itsplit 1 -Momenta zeroed out, time 62999.80 - acceleration/energy drift too large 6.95343122276858 - 10.1076040283972 split increased to 2 itime 315353 +Momenta zeroed out, time 62799.80 + acceleration/energy drift too large 8.00291401117320 + 28.5594871280415 split increased to 2 itime 314033 itsplit 1 - acceleration/energy drift too large 2.78108222408641 - 16.8551018438737 split increased to 2 itime 315380 + acceleration/energy drift too large 4.45176674890315 + 11.4442288022755 split increased to 2 itime 314316 itsplit 1 - acceleration/energy drift too large 5.37498686508104 - 12.9960227519355 split increased to 2 itime 315544 + acceleration/energy drift too large 5.41093379172292 + 19.9538075173177 split increased to 2 itime 314677 + itsplit 1 +Momenta zeroed out, time 62999.80 + acceleration/energy drift too large 3.35843250761291 + 17.2183693450822 split increased to 2 itime 315842 itsplit 1 Momenta zeroed out, time 63199.80 Momenta zeroed out, time 63399.80 + acceleration/energy drift too large 5.86890471316458 + 10.8937349184548 split increased to 2 itime 317343 + itsplit 1 Momenta zeroed out, time 63599.80 Momenta zeroed out, time 63799.80 + acceleration/energy drift too large 3.77334198267174 + 10.4555020742830 split increased to 2 itime 319776 + itsplit 1 + acceleration/energy drift too large 4.78035534185473 + 13.9940604315681 split increased to 2 itime 319790 + itsplit 1 Velocities reset to random values, time 63999.80 Momenta zeroed out, time 63999.80 - acceleration/energy drift too large 4.20896922163301 - 20.7609066645313 split increased to 2 itime 320243 - itsplit 1 - acceleration/energy drift too large 2.34946035725511 - 13.2122413961270 split increased to 2 itime 320875 + acceleration/energy drift too large 2.95928336026029 + 10.7856232421716 split increased to 2 itime 320021 itsplit 1 Momenta zeroed out, time 64199.80 -Momenta zeroed out, time 64399.80 - acceleration/energy drift too large 3.10738213498636 - 20.9165032868515 split increased to 2 itime 322156 + acceleration/energy drift too large 6.79911246563068 + 26.4856813944498 split increased to 2 itime 321128 itsplit 1 +Momenta zeroed out, time 64399.80 Momenta zeroed out, time 64599.80 - acceleration/energy drift too large 8.33822757173864 - 35.9086928588018 split increased to 2 itime 323414 - itsplit 1 Momenta zeroed out, time 64799.80 - acceleration/energy drift too large 5.77711136957232 - 19.2484687125294 split increased to 2 itime 324317 - itsplit 1 - acceleration/energy drift too large 1.96975635204592 - 10.3803479832951 split increased to 2 itime 324349 + acceleration/energy drift too large 15.6026668054314 + 83.5815830985075 split increased to 2 itime 324231 itsplit 1 Momenta zeroed out, time 64999.80 - acceleration/energy drift too large 12.2278565965791 - 56.2648675656298 split increased to 2 itime 325018 - itsplit 1 Momenta zeroed out, time 65199.80 - acceleration/energy drift too large 7.14284847476788 - 11.1026814787920 split increased to 2 itime 326353 - itsplit 1 - acceleration/energy drift too large 5.19381325613526 - 17.2704387047395 split increased to 2 itime 326752 - itsplit 1 - acceleration/energy drift too large 3.60967660264812 - 11.3182058481087 split increased to 2 itime 326992 - itsplit 1 Momenta zeroed out, time 65399.80 - acceleration/energy drift too large 5.52836421666541 - 31.2336386401074 split increased to 2 itime 327536 - itsplit 1 -Momenta zeroed out, time 65599.80 - acceleration/energy drift too large 8.15721131411519 - 13.6155050415083 split increased to 2 itime 328089 + acceleration/energy drift too large 3.60523378749280 + 14.7779613705504 split increased to 2 itime 327154 itsplit 1 - acceleration/energy drift too large 3.93784598964466 - 21.4013704091308 split increased to 2 itime 328808 + acceleration/energy drift too large 5.62284662952845 + 20.3234107276492 split increased to 2 itime 327968 itsplit 1 +Momenta zeroed out, time 65599.80 Momenta zeroed out, time 65799.80 - acceleration/energy drift too large 5.19039649410674 - 20.9259402474479 split increased to 2 itime 329346 + acceleration/energy drift too large 3.73084489355539 + 10.3117825596948 split increased to 2 itime 329988 itsplit 1 Velocities reset to random values, time 65999.80 Momenta zeroed out, time 65999.80 - acceleration/energy drift too large 6.58181919323575 - 21.3266911659035 split increased to 2 itime 330507 - itsplit 1 Momenta zeroed out, time 66199.80 - acceleration/energy drift too large 2.54633716412328 - 10.7129888991766 split increased to 2 itime 331655 - itsplit 1 Momenta zeroed out, time 66399.80 - acceleration/energy drift too large 5.46423953611157 - 15.9338481647675 split increased to 2 itime 332029 - itsplit 1 Momenta zeroed out, time 66599.80 Momenta zeroed out, time 66799.80 - acceleration/energy drift too large 5.26954448939810 - 21.3279014457540 split increased to 2 itime 334243 + acceleration/energy drift too large 7.06919837197342 + 20.4321218426071 split increased to 2 itime 334232 itsplit 1 - acceleration/energy drift too large 3.46836814305142 - 21.9681385539530 split increased to 2 itime 334254 + acceleration/energy drift too large 3.20152595556122 + 10.4763977454804 split increased to 2 itime 334497 itsplit 1 -Momenta zeroed out, time 66999.80 - acceleration/energy drift too large 4.18261438858840 - 17.7100771750259 split increased to 2 itime 335183 + acceleration/energy drift too large 4.62941025210716 + 19.8945571597689 split increased to 2 itime 334524 + itsplit 1 + acceleration/energy drift too large 3.52555705877265 + 12.9252268375180 split increased to 2 itime 334617 + itsplit 1 + acceleration/energy drift too large 12.4918260869892 + 88.2502122231938 split increased to 2 itime 334761 + itsplit 1 + acceleration/energy drift too large 4.02181488622638 + 18.1340129382267 split increased to 4 itime 334761 itsplit 1 - acceleration/energy drift too large 10.2177578806784 - 60.3745746958366 split increased to 2 itime 335295 + acceleration/energy drift too large 6.89782707701218 + 20.6494243128091 split increased to 2 itime 334846 itsplit 1 +Momenta zeroed out, time 66999.80 Momenta zeroed out, time 67199.80 + acceleration/energy drift too large 4.26794933253845 + 16.6953815902702 split increased to 2 itime 336135 + itsplit 1 + acceleration/energy drift too large 4.66428210211644 + 22.0746564530494 split increased to 2 itime 336737 + itsplit 1 Momenta zeroed out, time 67399.80 - acceleration/energy drift too large 3.76347398746069 - 15.0838505948030 split increased to 2 itime 337738 + acceleration/energy drift too large 6.68461395632614 + 19.4051288799231 split increased to 2 itime 337095 itsplit 1 - acceleration/energy drift too large 11.8645187547151 - 61.9548402117503 split increased to 2 itime 337966 + acceleration/energy drift too large 3.10564490688759 + 13.7839255391307 split increased to 2 itime 337162 itsplit 1 Momenta zeroed out, time 67599.80 - acceleration/energy drift too large 3.60191628829416 - 20.1295759305260 split increased to 2 itime 338166 + acceleration/energy drift too large 4.46853962819707 + 16.0313265139688 split increased to 2 itime 338335 itsplit 1 -Momenta zeroed out, time 67799.80 - acceleration/energy drift too large 3.48337033197168 - 12.1340531252069 split increased to 2 itime 339037 + acceleration/energy drift too large 7.70376520810800 + 13.4828848165145 split increased to 2 itime 338466 itsplit 1 - acceleration/energy drift too large 6.58791005380254 - 13.9809121524110 split increased to 2 itime 339825 +Momenta zeroed out, time 67799.80 + acceleration/energy drift too large 5.81474972143715 + 14.8435000971589 split increased to 2 itime 339793 itsplit 1 Velocities reset to random values, time 67999.80 Momenta zeroed out, time 67999.80 Momenta zeroed out, time 68199.80 Momenta zeroed out, time 68399.80 - acceleration/energy drift too large 3.59958447736449 - 10.5020436798810 split increased to 2 itime 342119 - itsplit 1 Momenta zeroed out, time 68599.80 - acceleration/energy drift too large 1.12274883581556 - 10.0360694077151 split increased to 2 itime 343403 + acceleration/energy drift too large 4.17749098130624 + 10.1136612620114 split increased to 2 itime 343986 itsplit 1 Momenta zeroed out, time 68799.80 - acceleration/energy drift too large 8.23866708777968 - 23.1837042152763 split increased to 2 itime 344029 - itsplit 1 Momenta zeroed out, time 68999.80 - acceleration/energy drift too large 7.90032815550452 - 28.4443806130339 split increased to 2 itime 345488 + acceleration/energy drift too large 4.38891340344390 + 12.2269896827734 split increased to 2 itime 345595 itsplit 1 Momenta zeroed out, time 69199.80 Momenta zeroed out, time 69399.80 - acceleration/energy drift too large 12.8035451113154 - 80.4727227752457 split increased to 2 itime 347572 + acceleration/energy drift too large 4.11424808248327 + 14.5196354460600 split increased to 2 itime 347040 itsplit 1 -Momenta zeroed out, time 69599.80 - acceleration/energy drift too large 6.44926295786393 - 16.4534895135405 split increased to 2 itime 348665 + acceleration/energy drift too large 3.85905943537542 + 14.4947410605615 split increased to 2 itime 347670 itsplit 1 +Momenta zeroed out, time 69599.80 Momenta zeroed out, time 69799.80 - acceleration/energy drift too large 5.78115894247543 - 19.5305104109036 split increased to 2 itime 349131 - itsplit 1 - acceleration/energy drift too large 5.64470230984652 - 14.6737651950615 split increased to 2 itime 349729 - itsplit 1 Velocities reset to random values, time 69999.80 Momenta zeroed out, time 69999.80 - acceleration/energy drift too large 5.47072229353216 - 17.9358708252756 split increased to 2 itime 350398 + acceleration/energy drift too large 2.05705384505024 + 10.0752054813461 split increased to 2 itime 350836 itsplit 1 Momenta zeroed out, time 70199.80 - acceleration/energy drift too large 5.75500963726208 - 16.4878598272194 split increased to 2 itime 351241 - itsplit 1 -Momenta zeroed out, time 70399.80 - acceleration/energy drift too large 3.49173185025140 - 10.2239145650812 split increased to 2 itime 352641 + acceleration/energy drift too large 6.34368744519139 + 61.8979415434090 split increased to 2 itime 351736 itsplit 1 - acceleration/energy drift too large 11.9788480950563 - 56.4684256780985 split increased to 2 itime 352876 + acceleration/energy drift too large 1.48142462759441 + 12.7740457001219 split increased to 4 itime 351736 + itsplit 2 + acceleration/energy drift too large 3.27530187032782 + 19.2385027674285 split increased to 2 itime 351941 itsplit 1 +Momenta zeroed out, time 70399.80 Momenta zeroed out, time 70599.80 - acceleration/energy drift too large 4.63709451967093 - 15.7381922141016 split increased to 2 itime 353892 + acceleration/energy drift too large 6.13589937252457 + 28.0185370988038 split increased to 2 itime 353385 itsplit 1 Momenta zeroed out, time 70799.80 - acceleration/energy drift too large 5.42130238584233 - 10.0709091949208 split increased to 2 itime 354195 - itsplit 1 - acceleration/energy drift too large 7.49814186713166 - 19.3794141815980 split increased to 2 itime 354457 - itsplit 1 - acceleration/energy drift too large 4.80226440709741 - 22.2654143300060 split increased to 2 itime 354658 - itsplit 1 - acceleration/energy drift too large 6.72127701124100 - 48.8938117925952 split increased to 2 itime 354707 - itsplit 1 - acceleration/energy drift too large 3.80886197643102 - 16.6525423217038 split increased to 2 itime 354731 - itsplit 1 - acceleration/energy drift too large 4.82347469718525 - 20.5013096190704 split increased to 2 itime 354806 + acceleration/energy drift too large 12.5751558416526 + 96.9620615860307 split increased to 2 itime 354013 itsplit 1 - acceleration/energy drift too large 3.05419719163083 - 10.3265801429685 split increased to 2 itime 354848 - itsplit 1 - acceleration/energy drift too large 2.24177086415161 - 15.3858594655491 split increased to 2 itime 354968 + acceleration/energy drift too large 10.7788174735704 + 51.8289441997464 split increased to 2 itime 354328 itsplit 1 Momenta zeroed out, time 70999.80 - acceleration/energy drift too large 6.89512738333552 - 16.7797035978963 split increased to 2 itime 355265 + acceleration/energy drift too large 8.21748211846060 + 29.4890518203891 split increased to 2 itime 355412 itsplit 1 - acceleration/energy drift too large 4.22005099855670 - 19.3293417887255 split increased to 2 itime 355373 + acceleration/energy drift too large 5.28544139295435 + 32.2184438479391 split increased to 2 itime 355424 itsplit 1 Momenta zeroed out, time 71199.80 - acceleration/energy drift too large 3.54263168336443 - 17.2768282496241 split increased to 2 itime 356210 - itsplit 1 - acceleration/energy drift too large 3.25093507138014 - 15.7849581880233 split increased to 2 itime 356712 - itsplit 1 Momenta zeroed out, time 71399.80 - acceleration/energy drift too large 4.87937027038000 - 15.6367146827011 split increased to 2 itime 357230 +Momenta zeroed out, time 71599.80 + acceleration/energy drift too large 10.3748069271035 + 40.5538546936381 split increased to 2 itime 358934 itsplit 1 - acceleration/energy drift too large 4.67871528004283 - 12.4049880046994 split increased to 2 itime 357961 +Momenta zeroed out, time 71799.80 + acceleration/energy drift too large 4.79396917480034 + 27.6397390204209 split increased to 2 itime 359387 itsplit 1 -Momenta zeroed out, time 71599.80 - acceleration/energy drift too large 4.41334669915518 - 11.4274060323882 split increased to 2 itime 358273 + acceleration/energy drift too large 3.43712309814770 + 11.8549985196815 split increased to 2 itime 359404 itsplit 1 - acceleration/energy drift too large 2.96924297368469 - 19.4825764223155 split increased to 2 itime 358887 + acceleration/energy drift too large 3.31570182536830 + 11.1582070662356 split increased to 2 itime 359672 itsplit 1 -Momenta zeroed out, time 71799.80 - acceleration/energy drift too large 8.27747029894353 - 43.1078110831312 split increased to 2 itime 359175 + acceleration/energy drift too large 2.81250981714792 + 10.0013820526610 split increased to 2 itime 359673 itsplit 1 - acceleration/energy drift too large 2.01042857149388 - 10.1274763821351 split increased to 4 itime 359175 - itsplit 2 Velocities reset to random values, time 71999.80 Momenta zeroed out, time 71999.80 - acceleration/energy drift too large 5.54235938686684 - 23.3275802410492 split increased to 2 itime 360404 - itsplit 1 - acceleration/energy drift too large 4.36505434568071 - 13.6224089403327 split increased to 2 itime 360997 + acceleration/energy drift too large 5.08325707951068 + 11.5724939549703 split increased to 2 itime 360577 itsplit 1 Momenta zeroed out, time 72199.80 - acceleration/energy drift too large 6.85472257349853 - 34.5794087984185 split increased to 2 itime 361625 - itsplit 1 Momenta zeroed out, time 72399.80 - acceleration/energy drift too large 5.69825177371782 - 20.1257314444073 split increased to 2 itime 362349 - itsplit 1 -Momenta zeroed out, time 72599.80 - acceleration/energy drift too large 5.00338650129430 - 19.4636282240940 split increased to 2 itime 363217 + acceleration/energy drift too large 6.11200906394569 + 32.1762495467578 split increased to 2 itime 362505 itsplit 1 - acceleration/energy drift too large 5.10535772044045 - 10.4942128937277 split increased to 2 itime 363477 + acceleration/energy drift too large 3.93391258820087 + 11.4150756450812 split increased to 2 itime 362817 itsplit 1 - acceleration/energy drift too large 2.86974721948378 - 14.6258531803896 split increased to 2 itime 363918 +Momenta zeroed out, time 72599.80 + acceleration/energy drift too large 5.60082788804057 + 20.4418291174059 split increased to 2 itime 363948 itsplit 1 Momenta zeroed out, time 72799.80 - acceleration/energy drift too large 6.14217951722161 - 18.9879866975469 split increased to 2 itime 364223 - itsplit 1 - acceleration/energy drift too large 10.5965708220798 - 45.6668497998881 split increased to 2 itime 364465 + acceleration/energy drift too large 17.1424708110064 + 109.594840467904 split increased to 2 itime 364082 itsplit 1 - acceleration/energy drift too large 17.3266832639136 - 106.536723594229 split increased to 2 itime 364479 + acceleration/energy drift too large 8.05905983626966 + 11.9594360679379 split increased to 2 itime 364791 itsplit 1 Momenta zeroed out, time 72999.80 - acceleration/energy drift too large 8.39240976368078 - 32.2214353591713 split increased to 2 itime 365617 + acceleration/energy drift too large 5.97308396123459 + 12.1535119607790 split increased to 2 itime 365356 + itsplit 1 + acceleration/energy drift too large 3.24209617131979 + 12.0711848301093 split increased to 2 itime 365577 itsplit 1 - acceleration/energy drift too large 13.5762373425708 - 68.1728664182754 split increased to 2 itime 365740 + acceleration/energy drift too large 2.75756169159525 + 12.6665565522014 split increased to 2 itime 365594 itsplit 1 Momenta zeroed out, time 73199.80 - acceleration/energy drift too large 5.28245936680034 - 16.4840836368787 split increased to 2 itime 366543 + acceleration/energy drift too large 5.03341909320615 + 21.8418706127177 split increased to 2 itime 366819 itsplit 1 -Momenta zeroed out, time 73399.80 - acceleration/energy drift too large 8.59653628246721 - 44.3836937864439 split increased to 2 itime 367446 + acceleration/energy drift too large 2.01403957740995 + 13.6152063781591 split increased to 2 itime 366959 itsplit 1 - acceleration/energy drift too large 16.3182252419349 - 87.1408109962287 split increased to 2 itime 367449 +Momenta zeroed out, time 73399.80 + acceleration/energy drift too large 4.35811085196981 + 18.0055266575167 split increased to 2 itime 367120 itsplit 1 - acceleration/energy drift too large 6.69363278133758 - 19.1787657898829 split increased to 2 itime 367774 + acceleration/energy drift too large 2.99913088634254 + 16.3710109865323 split increased to 2 itime 367297 itsplit 1 Momenta zeroed out, time 73599.80 - acceleration/energy drift too large 4.28907427380448 - 13.6231673621385 split increased to 2 itime 368702 - itsplit 1 -Momenta zeroed out, time 73799.80 - acceleration/energy drift too large 3.59401878931810 - 15.0588486881215 split increased to 2 itime 369193 - itsplit 1 - acceleration/energy drift too large 2.76989461228326 - 24.6726917164619 split increased to 2 itime 369244 + acceleration/energy drift too large 4.34935006857431 + 11.6739664899493 split increased to 2 itime 368099 itsplit 1 - acceleration/energy drift too large 5.68164128567248 - 25.8591067775136 split increased to 2 itime 369585 + acceleration/energy drift too large 7.22176699439707 + 26.0933376465840 split increased to 2 itime 368832 itsplit 1 - acceleration/energy drift too large 4.93064968840649 - 21.6646205725324 split increased to 2 itime 369997 + acceleration/energy drift too large 4.86744491821250 + 10.7712318118963 split increased to 2 itime 368904 itsplit 1 +Momenta zeroed out, time 73799.80 Velocities reset to random values, time 73999.80 Momenta zeroed out, time 73999.80 - acceleration/energy drift too large 3.55913039602000 - 10.1525074109176 split increased to 2 itime 370003 + acceleration/energy drift too large 7.83916649258086 + 40.5872652762221 split increased to 2 itime 370289 itsplit 1 - acceleration/energy drift too large 4.58225802869849 - 11.0208677372854 split increased to 2 itime 370173 + acceleration/energy drift too large 8.68415080038009 + 31.4236058539666 split increased to 2 itime 370498 itsplit 1 - acceleration/energy drift too large 3.99292410172250 - 12.5186478300850 split increased to 2 itime 370233 + acceleration/energy drift too large 10.0990287012685 + 56.5221232414367 split increased to 2 itime 370898 itsplit 1 -Momenta zeroed out, time 74199.80 - acceleration/energy drift too large 2.51462718181025 - 12.3369450139306 split increased to 2 itime 371773 - itsplit 1 -Momenta zeroed out, time 74399.80 - acceleration/energy drift too large 3.80376314130807 - 14.7821875292791 split increased to 2 itime 372147 + acceleration/energy drift too large 2.67657600327036 + 18.4486538851268 split increased to 2 itime 370899 itsplit 1 - acceleration/energy drift too large 5.35380259256531 - 17.0401691600656 split increased to 2 itime 372610 - itsplit 1 - acceleration/energy drift too large 5.93270408036257 - 13.1634200242405 split increased to 2 itime 372644 +Momenta zeroed out, time 74199.80 + acceleration/energy drift too large 2.77084630705171 + 18.1155365336918 split increased to 2 itime 371059 itsplit 1 - acceleration/energy drift too large 3.20876993155802 - 19.6500942077901 split increased to 2 itime 372910 + acceleration/energy drift too large 7.38535242477747 + 24.5903263442366 split increased to 2 itime 371887 itsplit 1 - acceleration/energy drift too large 2.52606818205846 - 11.2969247914327 split increased to 2 itime 372967 +Momenta zeroed out, time 74399.80 + acceleration/energy drift too large 6.44857566832569 + 29.1390318725015 split increased to 2 itime 372621 itsplit 1 Momenta zeroed out, time 74599.80 - acceleration/energy drift too large 3.34486687579369 - 10.2897749941372 split increased to 2 itime 373480 - itsplit 1 - acceleration/energy drift too large 2.39082476202213 - 11.4890904898387 split increased to 2 itime 373731 + acceleration/energy drift too large 5.51474053590321 + 31.8702688962061 split increased to 2 itime 373510 itsplit 1 Momenta zeroed out, time 74799.80 + acceleration/energy drift too large 5.82378047411672 + 15.3133496574590 split increased to 2 itime 374046 + itsplit 1 + acceleration/energy drift too large 5.42440741056251 + 17.3120006618453 split increased to 2 itime 374515 + itsplit 1 Momenta zeroed out, time 74999.80 - acceleration/energy drift too large 9.42578435628496 - 64.6483033266136 split increased to 2 itime 375206 + acceleration/energy drift too large 4.48115649926398 + 22.3373083818091 split increased to 2 itime 375464 itsplit 1 Momenta zeroed out, time 75199.80 - acceleration/energy drift too large 6.40249509911823 - 15.9973440561479 split increased to 2 itime 376085 + acceleration/energy drift too large 4.56819428462192 + 12.3036942464740 split increased to 2 itime 376209 + itsplit 1 + acceleration/energy drift too large 7.33750567073524 + 11.8781390295912 split increased to 2 itime 376497 itsplit 1 Momenta zeroed out, time 75399.80 - acceleration/energy drift too large 3.57626926439316 - 12.0802424167744 split increased to 2 itime 377080 + acceleration/energy drift too large 3.02970108558056 + 12.7118340320570 split increased to 2 itime 377383 + itsplit 1 + acceleration/energy drift too large 3.98815188531476 + 11.0860673809609 split increased to 2 itime 377424 itsplit 1 - acceleration/energy drift too large 8.92332434391107 - 36.6585943269643 split increased to 2 itime 377270 + acceleration/energy drift too large 4.35784062742712 + 14.2916539068233 split increased to 2 itime 377661 itsplit 1 Momenta zeroed out, time 75599.80 - acceleration/energy drift too large 7.29957193573794 - 25.0059640331772 split increased to 2 itime 378960 + acceleration/energy drift too large 4.23829879410037 + 21.2953259678444 split increased to 2 itime 378163 + itsplit 1 + acceleration/energy drift too large 4.59642072239413 + 11.3665304226139 split increased to 2 itime 378629 itsplit 1 Momenta zeroed out, time 75799.80 + acceleration/energy drift too large 3.10228689975741 + 18.0678845070596 split increased to 2 itime 379044 + itsplit 1 + acceleration/energy drift too large 7.53843128883989 + 51.1403960013014 split increased to 2 itime 379750 + itsplit 1 + acceleration/energy drift too large 10.8081916657889 + 61.1228115123975 split increased to 2 itime 379967 + itsplit 1 + acceleration/energy drift too large 2.66694829991006 + 14.9144673535217 split increased to 4 itime 379967 + itsplit 2 Velocities reset to random values, time 75999.80 Momenta zeroed out, time 75999.80 - acceleration/energy drift too large 5.44495131613463 - 29.8057380339542 split increased to 2 itime 380391 - itsplit 1 Momenta zeroed out, time 76199.80 - acceleration/energy drift too large 7.19464240504329 - 22.8082968987231 split increased to 2 itime 381348 - itsplit 1 - acceleration/energy drift too large 6.35190921300267 - 17.4381650368299 split increased to 2 itime 381976 + acceleration/energy drift too large 7.65677191902543 + 27.8156675462454 split increased to 2 itime 381358 itsplit 1 Momenta zeroed out, time 76399.80 - acceleration/energy drift too large 11.3769751101743 - 61.8417754778638 split increased to 2 itime 382338 + acceleration/energy drift too large 4.39877121128696 + 11.8253588704639 split increased to 2 itime 382549 itsplit 1 - acceleration/energy drift too large 6.77257103502568 - 15.3415886490704 split increased to 2 itime 382354 + acceleration/energy drift too large 3.21642762752338 + 10.5624838695974 split increased to 2 itime 382775 itsplit 1 Momenta zeroed out, time 76599.80 + acceleration/energy drift too large 4.88176755475087 + 13.8407813201671 split increased to 2 itime 383067 + itsplit 1 + acceleration/energy drift too large 6.65605182233221 + 18.7899116840117 split increased to 2 itime 383719 + itsplit 1 Momenta zeroed out, time 76799.80 Momenta zeroed out, time 76999.80 - acceleration/energy drift too large 3.94663920435049 - 14.7355780013243 split increased to 2 itime 385735 + acceleration/energy drift too large 3.27661782376440 + 10.5919291287644 split increased to 2 itime 385418 itsplit 1 Momenta zeroed out, time 77199.80 - acceleration/energy drift too large 3.48503476322984 - 11.2582433629650 split increased to 2 itime 386540 - itsplit 1 - acceleration/energy drift too large 7.82493782772637 - 26.2187572496677 split increased to 2 itime 386978 + acceleration/energy drift too large 4.52570736410038 + 23.1631954862679 split increased to 2 itime 386067 itsplit 1 Momenta zeroed out, time 77399.80 + acceleration/energy drift too large 6.22618200182997 + 18.4784777670427 split increased to 2 itime 387325 + itsplit 1 + acceleration/energy drift too large 4.41771173260364 + 20.6164250883098 split increased to 2 itime 387778 + itsplit 1 Momenta zeroed out, time 77599.80 + acceleration/energy drift too large 4.84230709907011 + 10.3540764386993 split increased to 2 itime 388466 + itsplit 1 + acceleration/energy drift too large 4.60377138145596 + 23.7967471752174 split increased to 2 itime 388597 + itsplit 1 Momenta zeroed out, time 77799.80 - acceleration/energy drift too large 5.92221782025361 - 26.4589690009538 split increased to 2 itime 389181 + acceleration/energy drift too large 5.74883807814237 + 30.3283461019161 split increased to 2 itime 389193 itsplit 1 Velocities reset to random values, time 77999.80 Momenta zeroed out, time 77999.80 - acceleration/energy drift too large 7.82793513539262 - 39.8284982174771 split increased to 2 itime 390362 - itsplit 1 - acceleration/energy drift too large 4.88181537257833 - 17.2008197130254 split increased to 2 itime 390456 + acceleration/energy drift too large 5.42256518806802 + 28.1898167145126 split increased to 2 itime 390832 itsplit 1 Momenta zeroed out, time 78199.80 - acceleration/energy drift too large 5.79683393828278 - 13.9276776043757 split increased to 2 itime 391647 + acceleration/energy drift too large 10.2640849706498 + 56.0760403291042 split increased to 2 itime 391737 itsplit 1 Momenta zeroed out, time 78399.80 - acceleration/energy drift too large 2.97338598203448 - 17.1729110687880 split increased to 2 itime 392548 - itsplit 1 - acceleration/energy drift too large 12.1616324254417 - 94.5534415350205 split increased to 2 itime 392732 - itsplit 1 - acceleration/energy drift too large 2.56001726595618 - 15.8944828738705 split increased to 4 itime 392732 - itsplit 1 Momenta zeroed out, time 78599.80 - acceleration/energy drift too large 2.71994711085537 - 11.8856466964555 split increased to 2 itime 393552 - itsplit 1 - acceleration/energy drift too large 6.45441340563471 - 34.3896132478317 split increased to 2 itime 393635 - itsplit 1 Momenta zeroed out, time 78799.80 - acceleration/energy drift too large 5.20345955824695 - 32.8565000490279 split increased to 2 itime 394079 - itsplit 1 - acceleration/energy drift too large 5.65316327781839 - 27.0156246286942 split increased to 2 itime 394249 - itsplit 1 - acceleration/energy drift too large 3.69926569420108 - 18.6988655845771 split increased to 2 itime 394281 + acceleration/energy drift too large 8.53992868571184 + 27.6483189591370 split increased to 2 itime 394657 itsplit 1 - acceleration/energy drift too large 2.28958891264385 - 12.2331760376271 split increased to 2 itime 394708 - itsplit 1 - acceleration/energy drift too large 5.55168415241850 - 13.5227939904688 split increased to 2 itime 394853 + acceleration/energy drift too large 3.78182452476072 + 10.1652916834833 split increased to 2 itime 394781 itsplit 1 Momenta zeroed out, time 78999.80 - acceleration/energy drift too large 12.1169284008951 - 71.1450376323601 split increased to 2 itime 395553 - itsplit 1 - acceleration/energy drift too large 3.83406452274351 - 17.4431019282515 split increased to 2 itime 395858 + acceleration/energy drift too large 4.35299987919146 + 20.0331047546712 split increased to 2 itime 395171 itsplit 1 Momenta zeroed out, time 79199.80 - acceleration/energy drift too large 1.89358961626773 - 11.4892574133687 split increased to 2 itime 396731 + acceleration/energy drift too large 10.3911474033911 + 44.4392112635476 split increased to 2 itime 396260 + itsplit 1 + acceleration/energy drift too large 7.95559353287439 + 37.9346879536230 split increased to 2 itime 396384 + itsplit 1 + acceleration/energy drift too large 2.86173416409369 + 12.0935725720689 split increased to 2 itime 396789 itsplit 1 Momenta zeroed out, time 79399.80 + acceleration/energy drift too large 5.94680762807803 + 22.0144329830189 split increased to 2 itime 397073 + itsplit 1 Momenta zeroed out, time 79599.80 - acceleration/energy drift too large 9.68046920889385 - 40.8985131278962 split increased to 2 itime 398254 + acceleration/energy drift too large 4.16986600149667 + 17.3024868821823 split increased to 2 itime 398714 itsplit 1 Momenta zeroed out, time 79799.80 + acceleration/energy drift too large 9.99208802157289 + 45.2066217156153 split increased to 2 itime 399220 + itsplit 1 + acceleration/energy drift too large 2.34460394435033 + 10.7315047485458 split increased to 4 itime 399220 + itsplit 1 + acceleration/energy drift too large 2.72248775509925 + 11.0369071383928 split increased to 2 itime 399884 + itsplit 1 Velocities reset to random values, time 79999.80 Momenta zeroed out, time 79999.80 -Momenta zeroed out, time 80199.80 - acceleration/energy drift too large 7.99332147272143 - 27.0818011973614 split increased to 2 itime 401169 + acceleration/energy drift too large 3.34569732655772 + 11.5792952519412 split increased to 2 itime 400247 itsplit 1 - acceleration/energy drift too large 6.77867617587714 - 19.8185596536084 split increased to 2 itime 401855 - itsplit 1 - acceleration/energy drift too large 2.42237080940872 - 12.2719577557010 split increased to 2 itime 401876 + acceleration/energy drift too large 3.77972799801487 + 16.6102874425074 split increased to 2 itime 400347 itsplit 1 +Momenta zeroed out, time 80199.80 Momenta zeroed out, time 80399.80 - acceleration/energy drift too large 5.12189777390659 - 18.3734541142943 split increased to 2 itime 402874 + acceleration/energy drift too large 6.16109621454118 + 16.3341212819823 split increased to 2 itime 402340 itsplit 1 Momenta zeroed out, time 80599.80 - acceleration/energy drift too large 6.10658994148580 - 28.8324361182174 split increased to 2 itime 403825 + acceleration/energy drift too large 5.39079179949413 + 15.4856534213222 split increased to 2 itime 403133 itsplit 1 -Momenta zeroed out, time 80799.80 - acceleration/energy drift too large 4.89203432708555 - 22.1575231874533 split increased to 2 itime 404097 + acceleration/energy drift too large 2.83940418217356 + 11.7599447487801 split increased to 2 itime 403609 itsplit 1 - acceleration/energy drift too large 3.15525294514401 - 10.0746065689232 split increased to 2 itime 404098 + acceleration/energy drift too large 10.3823303529061 + 55.5276026269656 split increased to 2 itime 403739 itsplit 1 - acceleration/energy drift too large 2.77584914356658 - 10.6778888622287 split increased to 2 itime 404437 +Momenta zeroed out, time 80799.80 + acceleration/energy drift too large 4.15033290023476 + 17.2689099475001 split increased to 2 itime 404260 itsplit 1 Momenta zeroed out, time 80999.80 - acceleration/energy drift too large 4.27948704262588 - 12.8237402684209 split increased to 2 itime 405135 + acceleration/energy drift too large 2.45697581507837 + 14.1761387914133 split increased to 2 itime 405467 itsplit 1 Momenta zeroed out, time 81199.80 - acceleration/energy drift too large 6.35405648553858 - 14.3148487822375 split increased to 2 itime 406294 + acceleration/energy drift too large 5.98552281816189 + 17.0459685585970 split increased to 2 itime 406110 itsplit 1 - acceleration/energy drift too large 23.4464258791232 - 149.071533101274 split increased to 2 itime 406802 + acceleration/energy drift too large 4.89237832645990 + 12.4348967958091 split increased to 2 itime 406171 itsplit 1 Momenta zeroed out, time 81399.80 - acceleration/energy drift too large 4.00499908503522 - 10.4112854333077 split increased to 2 itime 407031 + acceleration/energy drift too large 6.07841159497033 + 24.7068906271551 split increased to 2 itime 407262 + itsplit 1 + acceleration/energy drift too large 6.50722410089599 + 38.0581291112504 split increased to 2 itime 407753 + itsplit 1 + acceleration/energy drift too large 5.03998392226823 + 30.2584812986016 split increased to 2 itime 407872 itsplit 1 Momenta zeroed out, time 81599.80 + acceleration/energy drift too large 4.72121294570294 + 15.6821070888263 split increased to 2 itime 408146 + itsplit 1 + acceleration/energy drift too large 3.85288383963403 + 10.0547471935733 split increased to 2 itime 408647 + itsplit 1 + acceleration/energy drift too large 4.38898787250656 + 33.1310036273845 split increased to 2 itime 408925 + itsplit 1 Momenta zeroed out, time 81799.80 -Velocities reset to random values, time 81999.80 -Momenta zeroed out, time 81999.80 - acceleration/energy drift too large 6.98906152234641 - 15.5606009569520 split increased to 2 itime 410032 + acceleration/energy drift too large 5.17214273761740 + 18.7089052224274 split increased to 2 itime 409024 + itsplit 1 + acceleration/energy drift too large 2.93075485034201 + 10.6056836864950 split increased to 2 itime 409025 itsplit 1 - acceleration/energy drift too large 6.54837102983733 - 12.3621866967287 split increased to 2 itime 410278 + acceleration/energy drift too large 3.66523055297326 + 16.1116988927269 split increased to 2 itime 409030 itsplit 1 +Velocities reset to random values, time 81999.80 +Momenta zeroed out, time 81999.80 Momenta zeroed out, time 82199.80 Momenta zeroed out, time 82399.80 - acceleration/energy drift too large 5.82689744206767 - 25.5150882345731 split increased to 2 itime 412237 + acceleration/energy drift too large 10.3970136692890 + 54.5235346905553 split increased to 2 itime 412176 + itsplit 1 + acceleration/energy drift too large 10.6010296926740 + 60.5543654158417 split increased to 2 itime 412355 + itsplit 1 + acceleration/energy drift too large 5.02241556694270 + 10.9736766399444 split increased to 2 itime 412357 + itsplit 1 + acceleration/energy drift too large 4.73264267515843 + 11.5274819891612 split increased to 2 itime 412417 itsplit 1 Momenta zeroed out, time 82599.80 + acceleration/energy drift too large 9.86576500668008 + 43.9522877291914 split increased to 2 itime 413241 + itsplit 1 + acceleration/energy drift too large 2.39377215648895 + 10.3637570200331 split increased to 4 itime 413241 + itsplit 2 + acceleration/energy drift too large 3.83434340609423 + 10.7850562508928 split increased to 2 itime 413624 + itsplit 1 + acceleration/energy drift too large 5.32132645415813 + 28.5732295338210 split increased to 2 itime 413881 + itsplit 1 Momenta zeroed out, time 82799.80 - acceleration/energy drift too large 4.65869631692642 - 10.3500120574817 split increased to 2 itime 414740 + acceleration/energy drift too large 7.00068387298600 + 10.7427663799483 split increased to 2 itime 414868 itsplit 1 Momenta zeroed out, time 82999.80 -Momenta zeroed out, time 83199.80 - acceleration/energy drift too large 5.01089200621655 - 16.2443847868122 split increased to 2 itime 416945 + acceleration/energy drift too large 14.1661614960939 + 92.4665458715184 split increased to 2 itime 415857 itsplit 1 +Momenta zeroed out, time 83199.80 Momenta zeroed out, time 83399.80 - acceleration/energy drift too large 4.61637478607868 - 15.5376774941428 split increased to 2 itime 417870 +Momenta zeroed out, time 83599.80 + acceleration/energy drift too large 10.8778721856624 + 52.4714444410246 split increased to 2 itime 418158 itsplit 1 - acceleration/energy drift too large 5.12129103844722 - 22.2951489686554 split increased to 2 itime 417880 + acceleration/energy drift too large 3.22971490398099 + 17.8902275060970 split increased to 2 itime 418253 itsplit 1 -Momenta zeroed out, time 83599.80 -Momenta zeroed out, time 83799.80 - acceleration/energy drift too large 6.74252234526104 - 30.0955205895990 split increased to 2 itime 419896 + acceleration/energy drift too large 8.82566115999465 + 15.7845801090925 split increased to 2 itime 418352 itsplit 1 +Momenta zeroed out, time 83799.80 Velocities reset to random values, time 83999.80 Momenta zeroed out, time 83999.80 -Momenta zeroed out, time 84199.80 - acceleration/energy drift too large 5.06939354303012 - 29.9749394989275 split increased to 2 itime 421287 - itsplit 1 - acceleration/energy drift too large 3.20893004584326 - 10.7707099145307 split increased to 2 itime 421290 - itsplit 1 - acceleration/energy drift too large 3.38175014096860 - 12.3674314979021 split increased to 2 itime 421300 + acceleration/energy drift too large 6.38583362167071 + 12.8072995678865 split increased to 2 itime 420325 itsplit 1 - acceleration/energy drift too large 4.10871438069434 - 10.1607423785882 split increased to 2 itime 421305 + acceleration/energy drift too large 5.22744831561303 + 22.0008511215239 split increased to 2 itime 420823 itsplit 1 - acceleration/energy drift too large 3.53873632894178 - 10.2267079511923 split increased to 2 itime 421308 - itsplit 1 - acceleration/energy drift too large 3.14218957955132 - 12.0519794662585 split increased to 2 itime 421532 - itsplit 1 - acceleration/energy drift too large 14.0801107640144 - 92.5548751657234 split increased to 2 itime 421835 - itsplit 1 - acceleration/energy drift too large 2.86982460403487 - 14.7724442560187 split increased to 4 itime 421835 +Momenta zeroed out, time 84199.80 + acceleration/energy drift too large 8.97358491252628 + 59.3522318683120 split increased to 2 itime 421998 itsplit 1 Momenta zeroed out, time 84399.80 -Momenta zeroed out, time 84599.80 - acceleration/energy drift too large 3.42296606543946 - 22.7989894219455 split increased to 2 itime 423056 - itsplit 1 - acceleration/energy drift too large 3.40452724857753 - 10.7864120059115 split increased to 2 itime 423714 + acceleration/energy drift too large 5.72195836885100 + 12.5320905759043 split increased to 2 itime 422944 itsplit 1 +Momenta zeroed out, time 84599.80 Momenta zeroed out, time 84799.80 - acceleration/energy drift too large 5.98608792993546 - 15.4189140005902 split increased to 2 itime 424280 - itsplit 1 - acceleration/energy drift too large 3.26625501448245 - 20.3997081678115 split increased to 2 itime 424505 - itsplit 1 - acceleration/energy drift too large 5.61333947287177 - 19.4183039696020 split increased to 2 itime 424704 - itsplit 1 - acceleration/energy drift too large 3.82092725187929 - 16.6849809495248 split increased to 2 itime 424875 - itsplit 1 - acceleration/energy drift too large 8.06082608858923 - 59.1660989974693 split increased to 2 itime 424882 - itsplit 1 - acceleration/energy drift too large 1.61299616029560 - 10.4077484349724 split increased to 4 itime 424882 - itsplit 2 Momenta zeroed out, time 84999.80 Momenta zeroed out, time 85199.80 Momenta zeroed out, time 85399.80 + acceleration/energy drift too large 7.20463338663552 + 24.5609301272544 split increased to 2 itime 427821 + itsplit 1 Momenta zeroed out, time 85599.80 Momenta zeroed out, time 85799.80 - acceleration/energy drift too large 3.91933234902696 - 18.7117886599033 split increased to 2 itime 429401 + acceleration/energy drift too large 5.45401133928857 + 12.9670291606308 split increased to 2 itime 429872 itsplit 1 Velocities reset to random values, time 85999.80 Momenta zeroed out, time 85999.80 - acceleration/energy drift too large 3.07869693513736 - 12.4373140632261 split increased to 2 itime 430486 + acceleration/energy drift too large 7.66408408507308 + 41.6500060074972 split increased to 2 itime 430169 itsplit 1 Momenta zeroed out, time 86199.80 - acceleration/energy drift too large 2.41211495229967 - 11.9854266179773 split increased to 2 itime 431223 - itsplit 1 - acceleration/energy drift too large 4.87479721419697 - 22.0020228247918 split increased to 2 itime 431593 - itsplit 1 - acceleration/energy drift too large 5.15591135373275 - 11.1982208088043 split increased to 2 itime 431899 + acceleration/energy drift too large 4.12948877615604 + 17.7293082483784 split increased to 2 itime 431574 itsplit 1 Momenta zeroed out, time 86399.80 - acceleration/energy drift too large 6.68620080735605 - 22.9139864340263 split increased to 2 itime 432562 - itsplit 1 - acceleration/energy drift too large 8.79380221602971 - 36.0690113396084 split increased to 2 itime 432682 + acceleration/energy drift too large 6.03066683413600 + 14.5140519894095 split increased to 2 itime 432978 itsplit 1 Momenta zeroed out, time 86599.80 - acceleration/energy drift too large 7.47201821457609 - 10.9950652725669 split increased to 2 itime 433735 + acceleration/energy drift too large 4.49982539068304 + 22.2144793599426 split increased to 2 itime 433857 itsplit 1 Momenta zeroed out, time 86799.80 - acceleration/energy drift too large 5.46382419432788 - 20.3473966221205 split increased to 2 itime 434850 + acceleration/energy drift too large 9.62051091482851 + 22.7264721609261 split increased to 2 itime 434094 itsplit 1 Momenta zeroed out, time 86999.80 - acceleration/energy drift too large 2.18590612064786 - 12.2578102588531 split increased to 2 itime 435098 - itsplit 1 - acceleration/energy drift too large 4.90532794539051 - 11.8023738883677 split increased to 2 itime 435855 - itsplit 1 Momenta zeroed out, time 87199.80 - acceleration/energy drift too large 5.60840615542911 - 13.5006671401689 split increased to 2 itime 436231 - itsplit 1 Momenta zeroed out, time 87399.80 - acceleration/energy drift too large 10.4517821849242 - 51.9284926332936 split increased to 2 itime 437358 + acceleration/energy drift too large 6.17440863594436 + 12.2707437843765 split increased to 2 itime 437512 itsplit 1 - acceleration/energy drift too large 5.25411485019227 - 11.9690516639826 split increased to 2 itime 437373 + acceleration/energy drift too large 2.67436723575306 + 10.6442427420119 split increased to 2 itime 437710 itsplit 1 Momenta zeroed out, time 87599.80 - acceleration/energy drift too large 4.72029860247305 - 11.7209448561487 split increased to 2 itime 438790 + acceleration/energy drift too large 4.08894206320745 + 12.9363334690754 split increased to 2 itime 438635 itsplit 1 Momenta zeroed out, time 87799.80 - acceleration/energy drift too large 6.60265947210044 - 12.8715303676832 split increased to 2 itime 439427 - itsplit 1 - acceleration/energy drift too large 5.88549595081001 - 12.6482082918316 split increased to 2 itime 439619 - itsplit 1 Velocities reset to random values, time 87999.80 Momenta zeroed out, time 87999.80 - acceleration/energy drift too large 3.56397593180473 - 11.6431657517120 split increased to 2 itime 440446 + acceleration/energy drift too large 3.91634340299751 + 18.7670921295442 split increased to 2 itime 440174 itsplit 1 Momenta zeroed out, time 88199.80 - acceleration/energy drift too large 8.26079544531081 - 37.1620998393178 split increased to 2 itime 441887 - itsplit 1 Momenta zeroed out, time 88399.80 - acceleration/energy drift too large 11.4240592882391 - 63.5799053303793 split increased to 2 itime 442791 - itsplit 1 Momenta zeroed out, time 88599.80 - acceleration/energy drift too large 4.31256638899469 - 10.8281672016234 split increased to 2 itime 443501 + acceleration/energy drift too large 4.62759322491364 + 15.2409353790636 split increased to 2 itime 443479 itsplit 1 - acceleration/energy drift too large 3.57569221542122 - 12.5392074176049 split increased to 2 itime 443547 + acceleration/energy drift too large 9.34692728276477 + 40.5065818987024 split increased to 2 itime 443576 + itsplit 1 + acceleration/energy drift too large 2.93515516754539 + 18.3487114584808 split increased to 2 itime 443893 itsplit 1 Momenta zeroed out, time 88799.80 - acceleration/energy drift too large 7.58218738555327 - 25.0807755415088 split increased to 2 itime 444352 + acceleration/energy drift too large 7.98887663473570 + 22.6028672267291 split increased to 2 itime 444512 + itsplit 1 + acceleration/energy drift too large 8.06130650700683 + 25.0968318056932 split increased to 2 itime 444967 + itsplit 1 + acceleration/energy drift too large 1.67562733475430 + 11.7086424810587 split increased to 2 itime 444968 itsplit 1 Momenta zeroed out, time 88999.80 - acceleration/energy drift too large 3.32999422253004 - 22.1925858397351 split increased to 2 itime 445228 + acceleration/energy drift too large 4.16058968655430 + 10.5021322896130 split increased to 2 itime 445809 itsplit 1 Momenta zeroed out, time 89199.80 - acceleration/energy drift too large 4.41896710210096 - 13.4241586345999 split increased to 2 itime 446700 - itsplit 1 Momenta zeroed out, time 89399.80 - acceleration/energy drift too large 6.57976655767417 - 20.1539769365585 split increased to 2 itime 447015 - itsplit 1 - acceleration/energy drift too large 5.10976822299090 - 25.7335409621446 split increased to 2 itime 447237 - itsplit 1 - acceleration/energy drift too large 7.15734270888862 - 23.3061171650693 split increased to 2 itime 447245 - itsplit 1 - acceleration/energy drift too large 2.58890602375779 - 11.7083939230007 split increased to 4 itime 447245 + acceleration/energy drift too large 6.95301420395504 + 21.3290893578680 split increased to 2 itime 447316 itsplit 1 Momenta zeroed out, time 89599.80 - acceleration/energy drift too large 3.68277832273656 - 11.6892782892625 split increased to 2 itime 448285 - itsplit 1 - acceleration/energy drift too large 7.74058383097011 - 19.6587866549222 split increased to 2 itime 448693 - itsplit 1 - acceleration/energy drift too large 1.98258857084019 - 10.3369940604194 split increased to 2 itime 448770 - itsplit 1 - acceleration/energy drift too large 4.60358985099088 - 11.9827877536833 split increased to 2 itime 448966 + acceleration/energy drift too large 6.30972950826242 + 18.2616757116601 split increased to 2 itime 448819 itsplit 1 Momenta zeroed out, time 89799.80 - acceleration/energy drift too large 2.74783701056178 - 10.7391341330565 split increased to 2 itime 449758 - itsplit 1 Velocities reset to random values, time 89999.80 Momenta zeroed out, time 89999.80 -Momenta zeroed out, time 90199.80 - acceleration/energy drift too large 7.19340368953814 - 46.3046795218872 split increased to 2 itime 451224 + acceleration/energy drift too large 5.02468072323267 + 14.5131794954654 split increased to 2 itime 450306 itsplit 1 - acceleration/energy drift too large 1.74031762859856 - 10.8473540225213 split increased to 4 itime 451224 - itsplit 2 +Momenta zeroed out, time 90199.80 Momenta zeroed out, time 90399.80 - acceleration/energy drift too large 6.58645004973696 - 16.8801593109478 split increased to 2 itime 452266 - itsplit 1 - acceleration/energy drift too large 0.566703701935581 - 21.9401906125988 split increased to 2 itime 452267 - itsplit 1 Momenta zeroed out, time 90599.80 - acceleration/energy drift too large 6.58208463600499 - 19.1273360140545 split increased to 2 itime 453565 + acceleration/energy drift too large 1.74654483225564 + 10.2617095468723 split increased to 2 itime 453084 itsplit 1 - acceleration/energy drift too large 2.95007977575572 - 13.4341544996830 split increased to 2 itime 453566 + acceleration/energy drift too large 4.13092372142356 + 16.6611900124964 split increased to 2 itime 453711 itsplit 1 - acceleration/energy drift too large 14.2568219818298 - 78.1749931058275 split increased to 2 itime 453659 + acceleration/energy drift too large 6.45473151203393 + 31.0864982389978 split increased to 2 itime 453713 itsplit 1 - acceleration/energy drift too large 5.69557924529012 - 23.0011023299365 split increased to 2 itime 453798 + acceleration/energy drift too large 5.88736452781416 + 38.5145450077367 split increased to 2 itime 453839 itsplit 1 Momenta zeroed out, time 90799.80 - acceleration/energy drift too large 12.3578599830156 - 67.8014207961809 split increased to 2 itime 454234 + acceleration/energy drift too large 5.63279743469313 + 19.4543400620596 split increased to 2 itime 454260 + itsplit 1 + acceleration/energy drift too large 4.06119648223526 + 12.0021089958349 split increased to 2 itime 454278 + itsplit 1 + acceleration/energy drift too large 4.24398778662485 + 20.2466751774058 split increased to 2 itime 454919 itsplit 1 Momenta zeroed out, time 90999.80 + acceleration/energy drift too large 2.35060936494126 + 11.4480752843472 split increased to 2 itime 455188 + itsplit 1 Momenta zeroed out, time 91199.80 + acceleration/energy drift too large 3.03355245723109 + 13.8487360368485 split increased to 2 itime 456381 + itsplit 1 + acceleration/energy drift too large 6.26918610504954 + 43.4557407870494 split increased to 2 itime 456451 + itsplit 1 Momenta zeroed out, time 91399.80 Momenta zeroed out, time 91599.80 - acceleration/energy drift too large 4.15084675132559 - 19.6054115669872 split increased to 2 itime 458539 + acceleration/energy drift too large 7.13902220851349 + 17.0057274540035 split increased to 2 itime 458664 itsplit 1 - acceleration/energy drift too large 2.76646243423950 - 12.5124380654994 split increased to 2 itime 458949 + acceleration/energy drift too large 3.03808211923852 + 11.5938205716085 split increased to 2 itime 458748 + itsplit 1 + acceleration/energy drift too large 5.89949147097107 + 31.0223936218346 split increased to 2 itime 458995 itsplit 1 Momenta zeroed out, time 91799.80 + acceleration/energy drift too large 5.97697188366928 + 41.4328339095654 split increased to 2 itime 459283 + itsplit 1 Velocities reset to random values, time 91999.80 Momenta zeroed out, time 91999.80 - acceleration/energy drift too large 2.49594228591399 - 10.2045487018650 split increased to 2 itime 460744 - itsplit 1 - acceleration/energy drift too large 4.33662229179431 - 18.6375127391831 split increased to 2 itime 460851 + acceleration/energy drift too large 4.23787173217242 + 20.4608491533219 split increased to 2 itime 460645 itsplit 1 Momenta zeroed out, time 92199.80 - acceleration/energy drift too large 4.80331949367132 - 11.0676345558670 split increased to 2 itime 461621 - itsplit 1 - acceleration/energy drift too large 8.61353897558495 - 96.5034958029336 split increased to 2 itime 461980 - itsplit 1 - acceleration/energy drift too large 1.80422011474513 - 17.5442647459183 split increased to 4 itime 461980 - itsplit 1 Momenta zeroed out, time 92399.80 - acceleration/energy drift too large 11.6441465713933 - 47.5976809735881 split increased to 2 itime 462050 + acceleration/energy drift too large 11.8475670078678 + 68.0140160403975 split increased to 2 itime 462741 itsplit 1 - acceleration/energy drift too large 4.97914706235188 - 17.1446938898796 split increased to 2 itime 462283 - itsplit 1 - acceleration/energy drift too large 6.55950184408274 - 23.2122209104158 split increased to 2 itime 462576 + acceleration/energy drift too large 3.22050606489846 + 18.2128506108118 split increased to 4 itime 462741 itsplit 1 Momenta zeroed out, time 92599.80 - acceleration/energy drift too large 4.05729416151963 - 27.7004315516489 split increased to 2 itime 463763 - itsplit 1 Momenta zeroed out, time 92799.80 - acceleration/energy drift too large 12.1705163459534 - 69.2794546426033 split increased to 2 itime 464549 - itsplit 1 - acceleration/energy drift too large 2.89654824599592 - 16.1630132503882 split increased to 4 itime 464549 - itsplit 2 - acceleration/energy drift too large 5.38689654686381 - 10.4118982816075 split increased to 2 itime 464767 - itsplit 1 Momenta zeroed out, time 92999.80 - acceleration/energy drift too large 4.89810611254839 - 11.6223167244665 split increased to 2 itime 465081 - itsplit 1 - acceleration/energy drift too large 5.58415310111131 - 20.0044203026742 split increased to 2 itime 465914 - itsplit 1 - acceleration/energy drift too large 5.47299901272098 - 11.1989542516698 split increased to 2 itime 465942 - itsplit 1 Momenta zeroed out, time 93199.80 - acceleration/energy drift too large 6.70072664594263 - 11.7010546064048 split increased to 2 itime 466607 - itsplit 1 - acceleration/energy drift too large 7.87075982151090 - 28.5482859900868 split increased to 2 itime 466712 - itsplit 1 - acceleration/energy drift too large 6.37995163487923 - 53.0621519962802 split increased to 2 itime 466719 + acceleration/energy drift too large 9.49388760324909 + 43.7149209540850 split increased to 2 itime 466721 itsplit 1 Momenta zeroed out, time 93399.80 - acceleration/energy drift too large 11.2842228304012 - 65.6109569776438 split increased to 2 itime 467001 - itsplit 1 - acceleration/energy drift too large 3.29007564520898 - 10.7825753539954 split increased to 2 itime 467815 - itsplit 1 - acceleration/energy drift too large 7.92481450223570 - 24.7932827232125 split increased to 2 itime 467906 - itsplit 1 Momenta zeroed out, time 93599.80 - acceleration/energy drift too large 3.43179569545576 - 14.0779957576588 split increased to 2 itime 468722 - itsplit 1 - acceleration/energy drift too large 5.39817091006507 - 35.7481076757020 split increased to 2 itime 468864 - itsplit 1 Momenta zeroed out, time 93799.80 - acceleration/energy drift too large 5.97467377577046 - 27.8051873034254 split increased to 2 itime 469052 + acceleration/energy drift too large 2.43476808207162 + 16.0326570020915 split increased to 2 itime 469911 itsplit 1 - acceleration/energy drift too large 4.64560823530662 - 28.1640920356177 split increased to 2 itime 469641 + acceleration/energy drift too large 7.07687336254213 + 63.2773382280143 split increased to 2 itime 469931 + itsplit 1 + acceleration/energy drift too large 1.76403004444987 + 15.4955806011452 split increased to 4 itime 469931 + itsplit 2 + acceleration/energy drift too large 2.86679345996158 + 17.3671826724078 split increased to 2 itime 469959 itsplit 1 Velocities reset to random values, time 93999.80 Momenta zeroed out, time 93999.80 - acceleration/energy drift too large 3.62223458651813 - 19.1800195860991 split increased to 2 itime 470418 + acceleration/energy drift too large 12.4310835563805 + 65.4760214780030 split increased to 2 itime 470037 itsplit 1 Momenta zeroed out, time 94199.80 - acceleration/energy drift too large 5.59112764052022 - 11.5262189036904 split increased to 2 itime 471762 + acceleration/energy drift too large 3.09784198482122 + 13.7587976253491 split increased to 2 itime 471080 + itsplit 1 + acceleration/energy drift too large 3.89044346300583 + 15.0158478041324 split increased to 2 itime 471501 + itsplit 1 + acceleration/energy drift too large 7.42820427749031 + 31.2883508563412 split increased to 2 itime 471715 itsplit 1 Momenta zeroed out, time 94399.80 - acceleration/energy drift too large 6.15653677556087 - 19.5215307275994 split increased to 2 itime 472677 + acceleration/energy drift too large 4.46263016774590 + 21.9336517328419 split increased to 2 itime 472253 itsplit 1 - acceleration/energy drift too large 13.3107561181661 - 66.7018045121599 split increased to 2 itime 472824 + acceleration/energy drift too large 5.12154496455705 + 22.0054393391758 split increased to 2 itime 472680 itsplit 1 Momenta zeroed out, time 94599.80 + acceleration/energy drift too large 3.80952448076734 + 16.5093277383295 split increased to 2 itime 473200 + itsplit 1 + acceleration/energy drift too large 3.64048073220414 + 10.5220267166595 split increased to 2 itime 473239 + itsplit 1 + acceleration/energy drift too large 4.92685518606869 + 32.3364663709332 split increased to 2 itime 473565 + itsplit 1 + acceleration/energy drift too large 2.46155206202659 + 10.7030208536732 split increased to 2 itime 473674 + itsplit 1 + acceleration/energy drift too large 4.80437800983880 + 22.9210176962659 split increased to 2 itime 473737 + itsplit 1 + acceleration/energy drift too large 9.17586647947428 + 38.9290840498377 split increased to 2 itime 473936 + itsplit 1 Momenta zeroed out, time 94799.80 - acceleration/energy drift too large 2.27980003692211 - 10.8943671322775 split increased to 2 itime 474822 + acceleration/energy drift too large 5.62057570520196 + 20.9259905454003 split increased to 2 itime 474025 + itsplit 1 + acceleration/energy drift too large 4.39750177547224 + 15.4254206714749 split increased to 2 itime 474110 + itsplit 1 + acceleration/energy drift too large 13.0697531255975 + 59.7711973525784 split increased to 2 itime 474262 itsplit 1 Momenta zeroed out, time 94999.80 + acceleration/energy drift too large 6.36955371948687 + 24.0335435370386 split increased to 2 itime 475336 + itsplit 1 Momenta zeroed out, time 95199.80 + acceleration/energy drift too large 9.43181965549937 + 45.3890367310717 split increased to 2 itime 476314 + itsplit 1 + acceleration/energy drift too large 2.36111295675632 + 10.6820628041568 split increased to 4 itime 476314 + itsplit 2 Momenta zeroed out, time 95399.80 Momenta zeroed out, time 95599.80 - acceleration/energy drift too large 2.85254254811693 - 17.6801452962377 split increased to 2 itime 478034 - itsplit 1 Momenta zeroed out, time 95799.80 - acceleration/energy drift too large 7.32328312497622 - 18.6616530292222 split increased to 2 itime 479453 + acceleration/energy drift too large 6.83741490277361 + 11.0582956846643 split increased to 2 itime 479465 + itsplit 1 + acceleration/energy drift too large 9.18104495673794 + 20.8228803021511 split increased to 2 itime 479473 itsplit 1 - acceleration/energy drift too large 6.90524623622286 - 13.7040694834599 split increased to 2 itime 479966 + acceleration/energy drift too large 6.33768308490102 + 22.6174105667574 split increased to 2 itime 479983 itsplit 1 Velocities reset to random values, time 95999.80 Momenta zeroed out, time 95999.80 - acceleration/energy drift too large 6.04381904947529 - 10.5752578113660 split increased to 2 itime 480582 + acceleration/energy drift too large 3.94830292836298 + 10.1197283537666 split increased to 2 itime 480056 + itsplit 1 + acceleration/energy drift too large 4.32542293492117 + 15.1677241868000 split increased to 2 itime 480604 itsplit 1 Momenta zeroed out, time 96199.80 - acceleration/energy drift too large 5.56515770198024 - 24.6903058892809 split increased to 2 itime 481698 + acceleration/energy drift too large 2.83111351526966 + 10.0654345055205 split increased to 2 itime 481338 itsplit 1 - acceleration/energy drift too large 7.40105142053455 - 47.5838180519145 split increased to 2 itime 481799 + acceleration/energy drift too large 5.73922636607891 + 17.3330844450348 split increased to 2 itime 481497 + itsplit 1 + acceleration/energy drift too large 3.03595001237671 + 15.1206820819174 split increased to 2 itime 481992 itsplit 1 Momenta zeroed out, time 96399.80 - acceleration/energy drift too large 4.43349138402870 - 14.6977991557063 split increased to 2 itime 482655 + acceleration/energy drift too large 6.03236942632297 + 17.1437748109889 split increased to 2 itime 482255 + itsplit 1 + acceleration/energy drift too large 6.54595069075454 + 13.2767765205610 split increased to 2 itime 482283 + itsplit 1 + acceleration/energy drift too large 2.25147458584027 + 13.0383538957033 split increased to 2 itime 482350 itsplit 1 - acceleration/energy drift too large 2.64816297350021 - 20.0943735682503 split increased to 2 itime 482786 + acceleration/energy drift too large 4.61211641579107 + 14.0763247465242 split increased to 2 itime 482449 itsplit 1 Momenta zeroed out, time 96599.80 - acceleration/energy drift too large 2.49492099445692 - 10.5285407074580 split increased to 2 itime 483266 + acceleration/energy drift too large 3.69849005940782 + 17.4410962739214 split increased to 2 itime 483577 itsplit 1 - acceleration/energy drift too large 5.00164052178877 - 11.2524123227792 split increased to 2 itime 483407 + acceleration/energy drift too large 4.48702093400982 + 13.2666576074716 split increased to 2 itime 483620 itsplit 1 Momenta zeroed out, time 96799.80 Momenta zeroed out, time 96999.80 - acceleration/energy drift too large 4.98840821760789 - 16.3740384548008 split increased to 2 itime 485374 - itsplit 1 Momenta zeroed out, time 97199.80 Momenta zeroed out, time 97399.80 + acceleration/energy drift too large 3.12633465278947 + 21.1636565060485 split increased to 2 itime 487208 + itsplit 1 + acceleration/energy drift too large 6.90551796385654 + 24.9597259247742 split increased to 2 itime 487485 + itsplit 1 + acceleration/energy drift too large 3.65101442489212 + 13.5980695321556 split increased to 2 itime 487688 + itsplit 1 + acceleration/energy drift too large 4.47485419467436 + 12.3173749186471 split increased to 2 itime 487950 + itsplit 1 + acceleration/energy drift too large 4.70819425074588 + 15.6943911717655 split increased to 2 itime 487958 + itsplit 1 Momenta zeroed out, time 97599.80 -Momenta zeroed out, time 97799.80 - acceleration/energy drift too large 4.38388409376210 - 13.8359541637457 split increased to 2 itime 489169 + acceleration/energy drift too large 5.09103020305447 + 18.8916449986959 split increased to 2 itime 488159 itsplit 1 - acceleration/energy drift too large 8.57664589696321 - 25.1709597512354 split increased to 2 itime 489542 +Momenta zeroed out, time 97799.80 + acceleration/energy drift too large 2.91590952602181 + 17.6160236924652 split increased to 2 itime 489583 itsplit 1 Velocities reset to random values, time 97999.80 Momenta zeroed out, time 97999.80 - acceleration/energy drift too large 8.10680830910747 - 28.1786985558330 split increased to 2 itime 490538 + acceleration/energy drift too large 7.75811676565416 + 30.0743014176398 split increased to 2 itime 490296 + itsplit 1 + acceleration/energy drift too large 3.45998125523498 + 13.3026115460814 split increased to 2 itime 490550 + itsplit 1 + acceleration/energy drift too large 4.42157882596258 + 25.0528874071699 split increased to 2 itime 490673 itsplit 1 Momenta zeroed out, time 98199.80 + acceleration/energy drift too large 4.55596040243629 + 14.3070465741578 split increased to 2 itime 491039 + itsplit 1 + acceleration/energy drift too large 2.71924879267647 + 14.4442540211833 split increased to 2 itime 491419 + itsplit 1 Momenta zeroed out, time 98399.80 Momenta zeroed out, time 98599.80 + acceleration/energy drift too large 4.50478010238938 + 12.4639712552132 split increased to 2 itime 493194 + itsplit 1 + acceleration/energy drift too large 6.09642840210342 + 20.4198727391763 split increased to 2 itime 493509 + itsplit 1 Momenta zeroed out, time 98799.80 -Momenta zeroed out, time 98999.80 - acceleration/energy drift too large 3.15085873828362 - 20.0519250996430 split increased to 2 itime 495373 + acceleration/energy drift too large 8.15053686834005 + 17.7946125426695 split increased to 2 itime 494316 itsplit 1 - acceleration/energy drift too large 4.53432842748404 - 17.5509831534958 split increased to 2 itime 495444 +Momenta zeroed out, time 98999.80 + acceleration/energy drift too large 7.50958765250112 + 24.2185304192927 split increased to 2 itime 495653 itsplit 1 Momenta zeroed out, time 99199.80 - acceleration/energy drift too large 4.03622909676220 - 11.9390595192490 split increased to 2 itime 496091 + acceleration/energy drift too large 4.38469509958187 + 12.4025101616502 split increased to 2 itime 496043 + itsplit 1 + acceleration/energy drift too large 5.05775527208877 + 35.1491705498998 split increased to 2 itime 496544 itsplit 1 - acceleration/energy drift too large 3.42055696168524 - 10.9227757792380 split increased to 2 itime 496311 + acceleration/energy drift too large 4.55548715752288 + 13.1246534981720 split increased to 2 itime 496843 itsplit 1 Momenta zeroed out, time 99399.80 + acceleration/energy drift too large 4.58631126027834 + 15.9224015207089 split increased to 2 itime 497242 + itsplit 1 + acceleration/energy drift too large 3.83776412753891 + 10.1346212644909 split increased to 2 itime 497247 + itsplit 1 Momenta zeroed out, time 99599.80 + acceleration/energy drift too large 4.88284824870416 + 30.8401132305602 split increased to 2 itime 498307 + itsplit 1 + acceleration/energy drift too large 4.43646688621151 + 13.3682765274443 split increased to 2 itime 498573 + itsplit 1 + acceleration/energy drift too large 1.18344065198131 + 10.0411288643105 split increased to 2 itime 498574 + itsplit 1 + acceleration/energy drift too large 8.34983642517034 + 33.0336179100634 split increased to 2 itime 498917 + itsplit 1 Momenta zeroed out, time 99799.80 - acceleration/energy drift too large 5.91132626946265 - 40.0602924378552 split increased to 2 itime 499083 + acceleration/energy drift too large 4.96134049875797 + 11.2618975041658 split increased to 2 itime 499348 + itsplit 1 + acceleration/energy drift too large 5.89393638872291 + 14.5373011237275 split increased to 2 itime 499617 + itsplit 1 + acceleration/energy drift too large 2.47104499943660 + 10.2201049675646 split increased to 2 itime 499678 + itsplit 1 + acceleration/energy drift too large 4.78773573827257 + 20.1979557204187 split increased to 2 itime 499724 itsplit 1 Velocities reset to random values, time 99999.80 Momenta zeroed out, time 99999.80 Momenta zeroed out, time 100199.80 Momenta zeroed out, time 100399.80 - acceleration/energy drift too large 4.38244352273911 - 15.1460648829854 split increased to 2 itime 502714 - itsplit 1 Momenta zeroed out, time 100599.80 - acceleration/energy drift too large 3.74154606472753 - 10.3287184190682 split increased to 2 itime 503913 - itsplit 1 Momenta zeroed out, time 100799.80 + acceleration/energy drift too large 7.83656163937178 + 34.2412610209025 split increased to 2 itime 504080 + itsplit 1 + acceleration/energy drift too large 4.01902030752885 + 11.1376475006324 split increased to 2 itime 504099 + itsplit 1 Momenta zeroed out, time 100999.80 - acceleration/energy drift too large 4.89697356130839 - 10.7949295849851 split increased to 2 itime 505053 + acceleration/energy drift too large 3.45980765627270 + 10.4211862312207 split increased to 2 itime 505453 itsplit 1 -Momenta zeroed out, time 101199.80 - acceleration/energy drift too large 3.20706824642188 - 10.3809883430754 split increased to 2 itime 506035 + acceleration/energy drift too large 3.81694964057972 + 16.9011237658893 split increased to 2 itime 505649 itsplit 1 +Momenta zeroed out, time 101199.80 Momenta zeroed out, time 101399.80 - acceleration/energy drift too large 4.73675602979556 - 26.7504316578715 split increased to 2 itime 507909 + acceleration/energy drift too large 11.9078794739706 + 53.5293885224793 split increased to 2 itime 507306 itsplit 1 + acceleration/energy drift too large 2.45753589721082 + 10.2365314481310 split increased to 4 itime 507306 + itsplit 2 Momenta zeroed out, time 101599.80 - acceleration/energy drift too large 5.16990377231375 - 25.4645939112747 split increased to 2 itime 508422 + acceleration/energy drift too large 4.84637882387615 + 18.1503024425561 split increased to 2 itime 508381 + itsplit 1 + acceleration/energy drift too large 5.30556109864238 + 32.8740635304444 split increased to 2 itime 508827 + itsplit 1 + acceleration/energy drift too large 5.41453966642507 + 24.2835390860300 split increased to 2 itime 508919 itsplit 1 Momenta zeroed out, time 101799.80 + acceleration/energy drift too large 2.18303700213727 + 20.1068410620709 split increased to 2 itime 509385 + itsplit 1 + acceleration/energy drift too large 5.29783914809523 + 11.0118059643995 split increased to 2 itime 509578 + itsplit 1 Velocities reset to random values, time 101999.80 Momenta zeroed out, time 101999.80 - acceleration/energy drift too large 4.37775090241035 - 25.1748818418728 split increased to 2 itime 510937 + acceleration/energy drift too large 3.51369174276946 + 10.3149534750255 split increased to 2 itime 510147 itsplit 1 -Momenta zeroed out, time 102199.80 - acceleration/energy drift too large 5.14161209440193 - 10.1217441222992 split increased to 2 itime 511244 + acceleration/energy drift too large 4.85405608869720 + 25.7022069299303 split increased to 2 itime 510296 itsplit 1 - acceleration/energy drift too large 7.75789611838526 - 24.4537821296824 split increased to 2 itime 511712 + acceleration/energy drift too large 5.30539059921626 + 10.0209384813353 split increased to 2 itime 510354 itsplit 1 - acceleration/energy drift too large 2.97999368607237 - 15.6378424509508 split increased to 2 itime 511713 + acceleration/energy drift too large 1.70825973184415 + 11.9129761083433 split increased to 4 itime 510354 itsplit 1 -Momenta zeroed out, time 102399.80 - acceleration/energy drift too large 7.42713531045286 - 29.0684912350749 split increased to 2 itime 512662 + acceleration/energy drift too large 5.98682893944705 + 37.3126019302131 split increased to 2 itime 510634 itsplit 1 - acceleration/energy drift too large 4.62660865637831 - 28.6093818601054 split increased to 2 itime 512868 +Momenta zeroed out, time 102199.80 + acceleration/energy drift too large 5.69320005030767 + 12.5723525313246 split increased to 2 itime 511439 itsplit 1 -Momenta zeroed out, time 102599.80 - acceleration/energy drift too large 6.33924621113828 - 36.8635933547547 split increased to 2 itime 513179 + acceleration/energy drift too large 3.48977117707589 + 15.1787947493382 split increased to 2 itime 511964 + itsplit 1 +Momenta zeroed out, time 102399.80 + acceleration/energy drift too large 11.2792816509788 + 50.2478741440834 split increased to 2 itime 512432 itsplit 1 - acceleration/energy drift too large 5.47777774026251 - 13.0945359928824 split increased to 2 itime 513272 + acceleration/energy drift too large 8.89316202463608 + 20.7891845570769 split increased to 2 itime 512765 itsplit 1 - acceleration/energy drift too large 3.90681325971315 - 12.0322986505762 split increased to 2 itime 513605 + acceleration/energy drift too large 5.19159633926657 + 16.5463400933972 split increased to 2 itime 512769 itsplit 1 - acceleration/energy drift too large 3.62025099310307 - 11.9367721010804 split increased to 2 itime 513851 +Momenta zeroed out, time 102599.80 + acceleration/energy drift too large 7.60922642563686 + 55.2876208193666 split increased to 2 itime 513368 itsplit 1 Momenta zeroed out, time 102799.80 - acceleration/energy drift too large 5.33212455147316 - 12.5771322868563 split increased to 2 itime 514602 + acceleration/energy drift too large 5.78204494513985 + 13.8909392685271 split increased to 2 itime 514080 + itsplit 1 + acceleration/energy drift too large 3.73172488772930 + 16.1565180840524 split increased to 2 itime 514206 + itsplit 1 + acceleration/energy drift too large 8.42302843201131 + 22.2934943928464 split increased to 2 itime 514602 itsplit 1 Momenta zeroed out, time 102999.80 - acceleration/energy drift too large 3.79714838295965 - 10.6270493129032 split increased to 2 itime 515743 + acceleration/energy drift too large 2.12627165438530 + 10.2362814948467 split increased to 2 itime 515038 itsplit 1 Momenta zeroed out, time 103199.80 - acceleration/energy drift too large 4.60257019476961 - 10.0440314232596 split increased to 2 itime 516552 + acceleration/energy drift too large 8.44966778068950 + 33.8333956454554 split increased to 2 itime 516046 itsplit 1 Momenta zeroed out, time 103399.80 - acceleration/energy drift too large 7.80952792085425 - 40.6545264104555 split increased to 2 itime 517166 - itsplit 1 - acceleration/energy drift too large 12.4053415718217 - 40.2345499970452 split increased to 2 itime 517323 - itsplit 1 - acceleration/energy drift too large 18.1008895832817 - 118.638374056437 split increased to 2 itime 517399 - itsplit 1 - acceleration/energy drift too large 2.85769836592886 - 13.8792582656747 split increased to 4 itime 517399 - itsplit 2 - acceleration/energy drift too large 2.35981833966908 - 13.3789757910536 split increased to 2 itime 517971 - itsplit 1 Momenta zeroed out, time 103599.80 - acceleration/energy drift too large 9.09000550235206 - 57.6887084294616 split increased to 2 itime 518946 - itsplit 1 - acceleration/energy drift too large 2.09834098785541 - 11.8684608244950 split increased to 4 itime 518946 - itsplit 2 Momenta zeroed out, time 103799.80 + acceleration/energy drift too large 5.81486533535818 + 12.1341117474986 split increased to 2 itime 519439 + itsplit 1 + acceleration/energy drift too large 4.97918576129824 + 12.2369519354394 split increased to 2 itime 519476 + itsplit 1 Velocities reset to random values, time 103999.80 Momenta zeroed out, time 103999.80 - acceleration/energy drift too large 4.76695119650693 - 16.1883144797261 split increased to 2 itime 520740 - itsplit 1 Momenta zeroed out, time 104199.80 - acceleration/energy drift too large 4.36783380653143 - 24.2673301866528 split increased to 2 itime 521117 - itsplit 1 - acceleration/energy drift too large 6.79107766095531 - 15.6377896647502 split increased to 2 itime 521895 + acceleration/energy drift too large 5.32116042669054 + 14.4390808852046 split increased to 2 itime 521415 itsplit 1 Momenta zeroed out, time 104399.80 - acceleration/energy drift too large 5.00458033061279 - 10.4063103202457 split increased to 2 itime 522035 + acceleration/energy drift too large 4.55119213428910 + 10.0196194211185 split increased to 2 itime 522035 itsplit 1 - acceleration/energy drift too large 4.63713603441373 - 10.8930298541070 split increased to 2 itime 522355 + acceleration/energy drift too large 4.22669395323849 + 11.7462758319709 split increased to 2 itime 522151 itsplit 1 - acceleration/energy drift too large 7.86091348269795 - 14.1432469691435 split increased to 2 itime 522501 + acceleration/energy drift too large 2.81436057963183 + 10.9271452252822 split increased to 2 itime 522152 + itsplit 1 + acceleration/energy drift too large 5.06786605198188 + 32.9513254558988 split increased to 2 itime 522224 itsplit 1 Momenta zeroed out, time 104599.80 -Momenta zeroed out, time 104799.80 - acceleration/energy drift too large 2.04808798090552 - 10.2671112783682 split increased to 2 itime 524073 + acceleration/energy drift too large 8.38513552834847 + 31.9310758561863 split increased to 2 itime 523416 itsplit 1 - acceleration/energy drift too large 4.42786490578557 - 12.3111463572241 split increased to 2 itime 524945 +Momenta zeroed out, time 104799.80 + acceleration/energy drift too large 3.89169182473729 + 10.8165397671449 split increased to 2 itime 524321 itsplit 1 Momenta zeroed out, time 104999.80 - acceleration/energy drift too large 4.11875136709801 - 12.9435089675483 split increased to 2 itime 525918 - itsplit 1 Momenta zeroed out, time 105199.80 + acceleration/energy drift too large 6.04106012386707 + 14.5946051750657 split increased to 2 itime 526130 + itsplit 1 + acceleration/energy drift too large 2.77138118458340 + 12.0289605995793 split increased to 2 itime 526131 + itsplit 1 Momenta zeroed out, time 105399.80 Momenta zeroed out, time 105599.80 -Momenta zeroed out, time 105799.80 - acceleration/energy drift too large 4.61255268711723 - 11.8317860243203 split increased to 2 itime 529411 + acceleration/energy drift too large 4.95857347431029 + 11.6971248970715 split increased to 2 itime 528139 + itsplit 1 + acceleration/energy drift too large 3.98574482693714 + 11.7938153737784 split increased to 2 itime 528258 + itsplit 1 + acceleration/energy drift too large 9.31081424989208 + 37.9650202338597 split increased to 2 itime 528563 itsplit 1 - acceleration/energy drift too large 4.85339549516640 - 15.2104201732946 split increased to 2 itime 529563 + acceleration/energy drift too large 8.74571951994408 + 63.5680019725377 split increased to 2 itime 528642 itsplit 1 +Momenta zeroed out, time 105799.80 Velocities reset to random values, time 105999.80 Momenta zeroed out, time 105999.80 - acceleration/energy drift too large 4.88370033578126 - 11.5854907349939 split increased to 2 itime 530059 + acceleration/energy drift too large 4.11537927345490 + 11.5782669466099 split increased to 2 itime 530340 itsplit 1 - acceleration/energy drift too large 4.42597980853559 - 12.1152912289253 split increased to 2 itime 530221 +Momenta zeroed out, time 106199.80 + acceleration/energy drift too large 5.49469007368642 + 16.1286983650479 split increased to 2 itime 531028 itsplit 1 - acceleration/energy drift too large 6.29502695058368 - 17.6443179553428 split increased to 2 itime 530233 + acceleration/energy drift too large 1.75507926592680 + 15.8707450545011 split increased to 2 itime 531305 itsplit 1 -Momenta zeroed out, time 106199.80 Momenta zeroed out, time 106399.80 -Momenta zeroed out, time 106599.80 - acceleration/energy drift too large 6.40386963533072 - 10.8637697435352 split increased to 2 itime 533506 + acceleration/energy drift too large 4.24143254751004 + 13.6007596227941 split increased to 2 itime 532999 itsplit 1 -Momenta zeroed out, time 106799.80 - acceleration/energy drift too large 6.24380702600017 - 12.3871626293013 split increased to 2 itime 534498 +Momenta zeroed out, time 106599.80 + acceleration/energy drift too large 11.3975872737506 + 59.4461433151549 split increased to 2 itime 533057 itsplit 1 - acceleration/energy drift too large 4.23080444792975 - 21.6477282827632 split increased to 2 itime 534855 + acceleration/energy drift too large 2.07038095423452 + 10.3762022445711 split increased to 2 itime 533728 itsplit 1 +Momenta zeroed out, time 106799.80 Momenta zeroed out, time 106999.80 - acceleration/energy drift too large 5.60972877194003 - 26.3014836607594 split increased to 2 itime 535193 - itsplit 1 - acceleration/energy drift too large 3.62499373335746 - 11.0345926547089 split increased to 2 itime 535712 +Momenta zeroed out, time 107199.80 + acceleration/energy drift too large 3.44648462785497 + 10.2082232059895 split increased to 2 itime 536456 itsplit 1 - acceleration/energy drift too large 3.55694100998221 - 13.7742822262727 split increased to 2 itime 535713 + acceleration/energy drift too large 2.00854310689349 + 13.3554724447882 split increased to 2 itime 536988 itsplit 1 -Momenta zeroed out, time 107199.80 Momenta zeroed out, time 107399.80 Momenta zeroed out, time 107599.80 - acceleration/energy drift too large 4.85257103143137 - 30.7718518919015 split increased to 2 itime 538236 - itsplit 1 - acceleration/energy drift too large 3.19883386211545 - 10.2726941342273 split increased to 2 itime 538237 - itsplit 1 - acceleration/energy drift too large 6.21883091314696 - 35.3906049865588 split increased to 2 itime 538252 - itsplit 1 - acceleration/energy drift too large 4.90824858751601 - 16.6356064429277 split increased to 2 itime 538253 - itsplit 1 - acceleration/energy drift too large 6.40609764980584 - 33.5928544876074 split increased to 2 itime 538417 + acceleration/energy drift too large 12.5269318823222 + 43.2888140051943 split increased to 2 itime 538617 itsplit 1 Momenta zeroed out, time 107799.80 Velocities reset to random values, time 107999.80 Momenta zeroed out, time 107999.80 - acceleration/energy drift too large 9.66201083597612 - 35.0343510995770 split increased to 2 itime 540226 - itsplit 1 - acceleration/energy drift too large 3.08955178605356 - 11.4024937449928 split increased to 2 itime 540227 + acceleration/energy drift too large 6.53747768997211 + 19.7425414039631 split increased to 2 itime 540019 itsplit 1 - acceleration/energy drift too large 5.02939913001801 - 27.9458654845651 split increased to 2 itime 540448 + acceleration/energy drift too large 9.87303963472790 + 54.5992436685311 split increased to 2 itime 540951 itsplit 1 - acceleration/energy drift too large 3.56956018807301 - 14.7939469558561 split increased to 2 itime 540449 - itsplit 1 - acceleration/energy drift too large 8.63448139945131 - 56.5054663814695 split increased to 2 itime 540968 + acceleration/energy drift too large 3.61716033001328 + 14.8860614858238 split increased to 4 itime 540951 itsplit 1 Momenta zeroed out, time 108199.80 Momenta zeroed out, time 108399.80 - acceleration/energy drift too large 14.8680376281889 - 65.7174471910239 split increased to 2 itime 542674 - itsplit 1 - acceleration/energy drift too large 7.28107392317303 - 21.2636127355077 split increased to 2 itime 542777 + acceleration/energy drift too large 4.44111254794237 + 15.8670793713467 split increased to 2 itime 542356 itsplit 1 Momenta zeroed out, time 108599.80 - acceleration/energy drift too large 5.85373269753616 - 15.7724840512370 split increased to 2 itime 543186 - itsplit 1 - acceleration/energy drift too large 2.78925355819593 - 13.8915538733651 split increased to 2 itime 543191 - itsplit 1 - acceleration/energy drift too large 6.25182304160922 - 23.4881767771124 split increased to 2 itime 543380 - itsplit 1 Momenta zeroed out, time 108799.80 Momenta zeroed out, time 108999.80 - acceleration/energy drift too large 3.18966856828756 - 10.8203015264299 split increased to 2 itime 545159 - itsplit 1 - acceleration/energy drift too large 5.72244520222387 - 12.5118940624702 split increased to 2 itime 545288 - itsplit 1 Momenta zeroed out, time 109199.80 Momenta zeroed out, time 109399.80 - acceleration/energy drift too large 8.00994094195775 - 15.2399584705307 split increased to 2 itime 547342 - itsplit 1 - acceleration/energy drift too large 6.26797454878505 - 18.6371542709677 split increased to 2 itime 547349 - itsplit 1 - acceleration/energy drift too large 4.73470050153250 - 16.7226593991192 split increased to 2 itime 547501 + acceleration/energy drift too large 10.0550597481147 + 43.4342736711210 split increased to 2 itime 547042 itsplit 1 Momenta zeroed out, time 109599.80 - acceleration/energy drift too large 3.16239127047332 - 11.0934113512846 split increased to 2 itime 548210 - itsplit 1 - acceleration/energy drift too large 4.02206896493784 - 16.6517939436706 split increased to 2 itime 548300 - itsplit 1 - acceleration/energy drift too large 4.59734166962932 - 12.9369535086193 split increased to 2 itime 548303 - itsplit 1 - acceleration/energy drift too large 6.20607801995176 - 13.1880471733191 split increased to 2 itime 548305 + acceleration/energy drift too large 1.77795827407677 + 11.9799687591745 split increased to 2 itime 548201 itsplit 1 - acceleration/energy drift too large 2.83763052636931 - 11.7303559531959 split increased to 2 itime 548306 + acceleration/energy drift too large 9.04422588411092 + 42.4210052745507 split increased to 2 itime 548442 itsplit 1 - acceleration/energy drift too large 3.97385805596288 - 11.5442439271607 split increased to 2 itime 548313 - itsplit 1 - acceleration/energy drift too large 4.20733277560555 - 13.1485533043837 split increased to 2 itime 548315 - itsplit 1 - acceleration/energy drift too large 5.29472760450872 - 12.4895388076387 split increased to 2 itime 548317 - itsplit 1 - acceleration/energy drift too large 3.38005710227576 - 15.6568244607032 split increased to 2 itime 548318 - itsplit 1 - acceleration/energy drift too large 6.97455698206433 - 13.8547202932159 split increased to 2 itime 548319 - itsplit 1 - acceleration/energy drift too large 3.94284520537688 - 17.8590632647536 split increased to 2 itime 548320 - itsplit 1 - acceleration/energy drift too large 1.86934840270770 - 10.7569396641121 split increased to 2 itime 548323 - itsplit 1 - acceleration/energy drift too large 4.67579822272730 - 18.9170395843602 split increased to 2 itime 548324 - itsplit 1 - acceleration/energy drift too large 3.47108461873866 - 10.9077708975338 split increased to 2 itime 548337 - itsplit 1 - acceleration/energy drift too large 2.96645819925809 - 11.8596403279809 split increased to 2 itime 548341 - itsplit 1 - acceleration/energy drift too large 3.50533919008165 - 12.6069043518619 split increased to 2 itime 548342 - itsplit 1 - acceleration/energy drift too large 5.27338560531609 - 10.4643217484464 split increased to 2 itime 548405 - itsplit 1 - acceleration/energy drift too large 4.81905109772301 - 10.6389746539005 split increased to 2 itime 548413 + acceleration/energy drift too large 9.30704685159828 + 48.1325119859737 split increased to 2 itime 548668 itsplit 1 Momenta zeroed out, time 109799.80 - acceleration/energy drift too large 10.8901644264842 - 42.2366143934591 split increased to 2 itime 549163 - itsplit 1 - acceleration/energy drift too large 6.58846262840164 - 12.8308314167489 split increased to 2 itime 549213 - itsplit 1 - acceleration/energy drift too large 5.71906883927206 - 15.1559935037592 split increased to 2 itime 549450 - itsplit 1 - acceleration/energy drift too large 7.70301351199065 - 19.3561912566508 split increased to 2 itime 549498 - itsplit 1 - acceleration/energy drift too large 3.29753727780070 - 12.4288761439583 split increased to 2 itime 549499 - itsplit 1 Velocities reset to random values, time 109999.80 Momenta zeroed out, time 109999.80 - acceleration/energy drift too large 6.93775332534631 - 18.3365485856885 split increased to 2 itime 550314 - itsplit 1 Momenta zeroed out, time 110199.80 + acceleration/energy drift too large 6.20805531907562 + 14.4644702292534 split increased to 2 itime 551408 + itsplit 1 + acceleration/energy drift too large 4.88767775137658 + 14.6738603084094 split increased to 2 itime 551569 + itsplit 1 + acceleration/energy drift too large 6.56587971735720 + 21.8937958942858 split increased to 2 itime 551921 + itsplit 1 Momenta zeroed out, time 110399.80 - acceleration/energy drift too large 5.40122111880101 - 19.7639425870113 split increased to 2 itime 552485 + acceleration/energy drift too large 4.25625463179361 + 10.7986195835223 split increased to 2 itime 552688 itsplit 1 - acceleration/energy drift too large 4.93017705039695 - 11.3757413087892 split increased to 2 itime 552692 + acceleration/energy drift too large 3.35931053493774 + 16.3109903710966 split increased to 2 itime 552739 itsplit 1 Momenta zeroed out, time 110599.80 - acceleration/energy drift too large 9.69910632901188 - 37.8986071181244 split increased to 2 itime 553427 + acceleration/energy drift too large 8.34522617140743 + 36.3082268512959 split increased to 2 itime 553179 itsplit 1 - acceleration/energy drift too large 12.9033741614177 - 58.0126543992971 split increased to 2 itime 553528 - itsplit 1 - acceleration/energy drift too large 3.67182166061854 - 11.6692489261286 split increased to 2 itime 553968 + acceleration/energy drift too large 4.66857242446732 + 11.0369101758661 split increased to 2 itime 553999 itsplit 1 Momenta zeroed out, time 110799.80 - acceleration/energy drift too large 7.45831582349586 - 37.8719960538994 split increased to 2 itime 554917 + acceleration/energy drift too large 5.29131839784168 + 12.7533192071163 split increased to 2 itime 554163 + itsplit 1 + acceleration/energy drift too large 9.02595046204281 + 49.3169362416308 split increased to 2 itime 554870 itsplit 1 Momenta zeroed out, time 110999.80 - acceleration/energy drift too large 8.10198407591444 - 31.2680299739134 split increased to 2 itime 555659 + acceleration/energy drift too large 2.57987059811967 + 12.2898997097669 split increased to 2 itime 555750 itsplit 1 Momenta zeroed out, time 111199.80 - acceleration/energy drift too large 5.28015150543484 - 15.5845688850605 split increased to 2 itime 556059 - itsplit 1 - acceleration/energy drift too large 3.94409557427979 - 16.8661997760728 split increased to 2 itime 556184 - itsplit 1 - acceleration/energy drift too large 4.45205987261800 - 16.1566554217221 split increased to 2 itime 556264 - itsplit 1 - acceleration/energy drift too large 3.39758462312188 - 10.0041095040712 split increased to 2 itime 556287 - itsplit 1 - acceleration/energy drift too large 4.82166131436671 - 28.9893070997347 split increased to 2 itime 556359 - itsplit 1 - acceleration/energy drift too large 11.9620787229648 - 60.8848371918896 split increased to 2 itime 556453 - itsplit 1 - acceleration/energy drift too large 2.86982666276669 - 14.2222581434173 split increased to 4 itime 556453 - itsplit 2 - acceleration/energy drift too large 3.49111295359797 - 13.0322888363736 split increased to 2 itime 556593 - itsplit 1 - acceleration/energy drift too large 2.58308594546845 - 10.5498184398770 split increased to 2 itime 556616 - itsplit 1 - acceleration/energy drift too large 5.61466729716407 - 22.1172200196710 split increased to 2 itime 556810 + acceleration/energy drift too large 2.93906949856802 + 11.9568513300719 split increased to 2 itime 556483 itsplit 1 Momenta zeroed out, time 111399.80 - acceleration/energy drift too large 5.12917536229250 - 25.5838491638380 split increased to 2 itime 557310 + acceleration/energy drift too large 5.93233680882373 + 17.1715586477478 split increased to 2 itime 557270 itsplit 1 - acceleration/energy drift too large 6.18662044080659 - 19.4832116132694 split increased to 2 itime 557443 + acceleration/energy drift too large 3.63726047634164 + 26.8498536744515 split increased to 2 itime 557666 itsplit 1 - acceleration/energy drift too large 4.61511830367742 - 10.3596280485212 split increased to 2 itime 557719 + acceleration/energy drift too large 5.96160280723649 + 27.5858840815183 split increased to 2 itime 557895 itsplit 1 Momenta zeroed out, time 111599.80 - acceleration/energy drift too large 6.94163664053803 - 20.6776947600941 split increased to 2 itime 558020 + acceleration/energy drift too large 6.20932087124164 + 22.9267421340040 split increased to 2 itime 558137 itsplit 1 - acceleration/energy drift too large 10.4822126694315 - 48.1421905620395 split increased to 2 itime 558176 + acceleration/energy drift too large 4.38244597733939 + 20.5508286742138 split increased to 2 itime 558142 itsplit 1 - acceleration/energy drift too large 3.08972097438603 - 12.8415538536308 split increased to 2 itime 558936 + acceleration/energy drift too large 2.53446377086211 + 15.4280865597342 split increased to 2 itime 558616 itsplit 1 Momenta zeroed out, time 111799.80 - acceleration/energy drift too large 2.87091734667958 - 15.4403222021825 split increased to 2 itime 559095 - itsplit 1 - acceleration/energy drift too large 9.12500913042990 - 40.5069115883833 split increased to 2 itime 559110 - itsplit 1 - acceleration/energy drift too large 5.75708805326401 - 30.5640573152103 split increased to 2 itime 559332 - itsplit 1 - acceleration/energy drift too large 5.60643280659613 - 41.7989367436330 split increased to 2 itime 559578 - itsplit 1 - acceleration/energy drift too large 3.15837015450555 - 17.5652677721998 split increased to 2 itime 559684 - itsplit 1 Velocities reset to random values, time 111999.80 Momenta zeroed out, time 111999.80 - acceleration/energy drift too large 6.67093674916164 - 21.1166365730673 split increased to 2 itime 560305 - itsplit 1 - acceleration/energy drift too large 5.12934054432542 - 10.0442633574058 split increased to 2 itime 560480 - itsplit 1 - acceleration/energy drift too large 5.11663250608990 - 13.3270395990005 split increased to 2 itime 560900 - itsplit 1 Momenta zeroed out, time 112199.80 - acceleration/energy drift too large 7.51792595507009 - 36.8142232840017 split increased to 2 itime 561227 - itsplit 1 - acceleration/energy drift too large 3.65395679540555 - 11.1314365285805 split increased to 2 itime 561286 - itsplit 1 - acceleration/energy drift too large 5.57255226633568 - 32.6306171011770 split increased to 2 itime 561811 - itsplit 1 - acceleration/energy drift too large 3.99953061337084 - 19.6902867506441 split increased to 2 itime 561828 - itsplit 1 - acceleration/energy drift too large 4.81347085776056 - 27.5080106406514 split increased to 2 itime 561880 + acceleration/energy drift too large 9.10254781453230 + 40.9233741398778 split increased to 2 itime 561720 itsplit 1 Momenta zeroed out, time 112399.80 Momenta zeroed out, time 112599.80 -Momenta zeroed out, time 112799.80 - acceleration/energy drift too large 3.96167468256003 - 20.0883078424463 split increased to 2 itime 564676 + acceleration/energy drift too large 5.78274802361875 + 11.4286950239254 split increased to 2 itime 563941 itsplit 1 - acceleration/energy drift too large 6.01492211274907 - 16.9044764541619 split increased to 2 itime 564994 +Momenta zeroed out, time 112799.80 + acceleration/energy drift too large 5.57216289651009 + 20.6793051375519 split increased to 2 itime 564498 itsplit 1 Momenta zeroed out, time 112999.80 - acceleration/energy drift too large 4.87540521280969 - 17.0993566939839 split increased to 2 itime 565513 - itsplit 1 - acceleration/energy drift too large 12.9568347516413 - 74.0526814803114 split increased to 2 itime 565812 + acceleration/energy drift too large 9.31482973389186 + 29.1266371538517 split increased to 2 itime 565350 itsplit 1 Momenta zeroed out, time 113199.80 -Momenta zeroed out, time 113399.80 - acceleration/energy drift too large 6.62380300976733 - 38.8966819136805 split increased to 2 itime 567132 + acceleration/energy drift too large 1.85868521077935 + 12.1101829553894 split increased to 2 itime 566320 itsplit 1 - acceleration/energy drift too large 4.57015162042523 - 23.0643922742775 split increased to 2 itime 567941 + acceleration/energy drift too large 5.54085238668581 + 12.5468350779288 split increased to 2 itime 566912 itsplit 1 -Momenta zeroed out, time 113599.80 - acceleration/energy drift too large 7.19024313845734 - 54.2028381153249 split increased to 2 itime 568017 +Momenta zeroed out, time 113399.80 + acceleration/energy drift too large 4.11330928241811 + 13.6345435216337 split increased to 2 itime 567103 + itsplit 1 + acceleration/energy drift too large 6.91676694490868 + 17.6611557735427 split increased to 2 itime 567383 itsplit 1 - acceleration/energy drift too large 6.33227928690170 - 22.0944635063002 split increased to 2 itime 568516 + acceleration/energy drift too large 8.84402332957400 + 25.5177760316279 split increased to 2 itime 567612 itsplit 1 - acceleration/energy drift too large 4.78156581650066 - 11.3462762321559 split increased to 2 itime 568709 +Momenta zeroed out, time 113599.80 + acceleration/energy drift too large 6.81612457530576 + 21.7484439831722 split increased to 2 itime 568276 itsplit 1 Momenta zeroed out, time 113799.80 - acceleration/energy drift too large 11.3847776153275 - 72.8815077527468 split increased to 2 itime 569769 +Velocities reset to random values, time 113999.80 +Momenta zeroed out, time 113999.80 + acceleration/energy drift too large 4.67158441840300 + 22.1559092790826 split increased to 2 itime 570393 itsplit 1 - acceleration/energy drift too large 1.51963409330979 - 12.8908398738865 split increased to 2 itime 569770 + acceleration/energy drift too large 5.16415723337502 + 29.1433584520434 split increased to 2 itime 570964 itsplit 1 - acceleration/energy drift too large 8.13224755547595 - 37.0362143199884 split increased to 2 itime 569839 +Momenta zeroed out, time 114199.80 + acceleration/energy drift too large 4.72567530731077 + 24.8190200306291 split increased to 2 itime 571643 itsplit 1 - acceleration/energy drift too large 1.53793249959764 - 13.0645478051885 split increased to 2 itime 569840 + acceleration/energy drift too large 3.66150632934085 + 13.1097407097664 split increased to 2 itime 571644 + itsplit 1 + acceleration/energy drift too large 10.2374125938583 + 51.8377850938143 split increased to 2 itime 571944 itsplit 1 -Velocities reset to random values, time 113999.80 -Momenta zeroed out, time 113999.80 -Momenta zeroed out, time 114199.80 Momenta zeroed out, time 114399.80 - acceleration/energy drift too large 5.11779558545193 - 12.3263366004155 split increased to 2 itime 572344 + acceleration/energy drift too large 3.36168663353349 + 10.3939219283670 split increased to 2 itime 572226 itsplit 1 - acceleration/energy drift too large 5.78402808214607 - 11.3157351343257 split increased to 2 itime 572706 + acceleration/energy drift too large 6.18357936217982 + 17.6552824745859 split increased to 2 itime 572362 itsplit 1 -Momenta zeroed out, time 114599.80 -Momenta zeroed out, time 114799.80 - acceleration/energy drift too large 5.92538088393017 - 38.5844976407876 split increased to 2 itime 574319 + acceleration/energy drift too large 6.90545647506261 + 32.2382674349451 split increased to 2 itime 572600 itsplit 1 - acceleration/energy drift too large 9.05754569024709 - 40.4262326823600 split increased to 2 itime 574528 + acceleration/energy drift too large 5.71705242882220 + 16.5744168968851 split increased to 2 itime 572642 itsplit 1 - acceleration/energy drift too large 2.62858739615719 - 10.0969471317157 split increased to 2 itime 574529 +Momenta zeroed out, time 114599.80 + acceleration/energy drift too large 3.99978079113825 + 16.6692693386905 split increased to 2 itime 573093 itsplit 1 - acceleration/energy drift too large 3.23318305951736 - 10.9507632983350 split increased to 2 itime 574565 + acceleration/energy drift too large 2.64522707190265 + 18.1996417652169 split increased to 2 itime 573292 itsplit 1 +Momenta zeroed out, time 114799.80 Momenta zeroed out, time 114999.80 - acceleration/energy drift too large 5.41240194424165 - 34.5928191362423 split increased to 2 itime 575287 - itsplit 1 Momenta zeroed out, time 115199.80 -Momenta zeroed out, time 115399.80 - acceleration/energy drift too large 4.47316652620650 - 12.2237297006088 split increased to 2 itime 577368 + acceleration/energy drift too large 2.89077261014974 + 10.2306486799632 split increased to 2 itime 576155 + itsplit 1 + acceleration/energy drift too large 3.58610471525506 + 13.3004995115540 split increased to 2 itime 576759 itsplit 1 - acceleration/energy drift too large 2.95763343723424 - 20.8333577358933 split increased to 2 itime 577780 + acceleration/energy drift too large 2.69089173185278 + 11.2019227915925 split increased to 2 itime 576760 itsplit 1 + acceleration/energy drift too large 4.15180091997673 + 19.4099877678324 split increased to 2 itime 576960 + itsplit 1 +Momenta zeroed out, time 115399.80 Momenta zeroed out, time 115599.80 - acceleration/energy drift too large 6.23191070568728 - 16.5647524293073 split increased to 2 itime 578179 + acceleration/energy drift too large 5.53119521047999 + 23.9620178976704 split increased to 2 itime 578079 itsplit 1 - acceleration/energy drift too large 3.54913708712584 - 16.3555842505570 split increased to 2 itime 578838 + acceleration/energy drift too large 4.40356870671195 + 17.7318608668256 split increased to 2 itime 578280 itsplit 1 -Momenta zeroed out, time 115799.80 - acceleration/energy drift too large 10.3053946634652 - 59.2301721059409 split increased to 2 itime 579833 + acceleration/energy drift too large 3.17815324800596 + 11.0437426280213 split increased to 2 itime 578281 itsplit 1 - acceleration/energy drift too large 5.36382459879832 - 14.0139236516953 split increased to 2 itime 579857 + acceleration/energy drift too large 4.73762196193181 + 27.1448348064999 split increased to 2 itime 578283 itsplit 1 - acceleration/energy drift too large 5.34557421247161 - 18.7244221614637 split increased to 2 itime 579908 + acceleration/energy drift too large 5.06894290498257 + 12.8902503934506 split increased to 2 itime 578674 itsplit 1 +Momenta zeroed out, time 115799.80 Velocities reset to random values, time 115999.80 Momenta zeroed out, time 115999.80 - acceleration/energy drift too large 3.43441173482019 - 11.4292915698283 split increased to 2 itime 580846 + acceleration/energy drift too large 10.1590527419362 + 57.3542168716908 split increased to 2 itime 580025 itsplit 1 Momenta zeroed out, time 116199.80 Momenta zeroed out, time 116399.80 - acceleration/energy drift too large 9.51408844362449 - 43.6733468464831 split increased to 2 itime 582467 + acceleration/energy drift too large 6.41275099184977 + 18.4341607136598 split increased to 2 itime 582531 itsplit 1 -Momenta zeroed out, time 116599.80 - acceleration/energy drift too large 5.94175807313025 - 16.4887934920789 split increased to 2 itime 583353 + acceleration/energy drift too large 7.14309792938717 + 21.9577115092672 split increased to 2 itime 582533 itsplit 1 - acceleration/energy drift too large 4.56627527022192 - 14.9509091834680 split increased to 2 itime 583643 +Momenta zeroed out, time 116599.80 + acceleration/energy drift too large 10.6465649031970 + 55.8515386610743 split increased to 2 itime 583267 itsplit 1 Momenta zeroed out, time 116799.80 - acceleration/energy drift too large 3.82231877680214 - 10.2684562453164 split increased to 2 itime 584078 - itsplit 1 - acceleration/energy drift too large 7.96640820832150 - 31.1491330196458 split increased to 2 itime 584110 - itsplit 1 - acceleration/energy drift too large 2.22837841254837 - 12.4021427953440 split increased to 2 itime 584111 - itsplit 1 - acceleration/energy drift too large 4.30516452994252 - 16.6639657309347 split increased to 2 itime 584545 + acceleration/energy drift too large 3.90003577628422 + 15.2227883303599 split increased to 2 itime 584174 itsplit 1 Momenta zeroed out, time 116999.80 - acceleration/energy drift too large 5.92848571363982 - 24.5969813223891 split increased to 2 itime 585044 + acceleration/energy drift too large 8.44128088488522 + 33.8780654635576 split increased to 2 itime 585176 itsplit 1 - acceleration/energy drift too large 5.49303752170812 - 17.0748654916417 split increased to 2 itime 585608 + acceleration/energy drift too large 4.86689823094501 + 16.0245618781281 split increased to 2 itime 585440 itsplit 1 Momenta zeroed out, time 117199.80 - acceleration/energy drift too large 7.99556382868505 - 21.2550171376231 split increased to 2 itime 586492 - itsplit 1 - acceleration/energy drift too large 2.87214946617333 - 13.9525928921297 split increased to 4 itime 586492 + acceleration/energy drift too large 9.11366284597545 + 45.2138704053348 split increased to 2 itime 586178 itsplit 1 Momenta zeroed out, time 117399.80 Momenta zeroed out, time 117599.80 - acceleration/energy drift too large 4.86711533798340 - 10.6108844562860 split increased to 2 itime 588081 - itsplit 1 - acceleration/energy drift too large 4.26456135556495 - 11.9244322538327 split increased to 2 itime 588229 - itsplit 1 - acceleration/energy drift too large 3.09194061492215 - 10.1084839200071 split increased to 2 itime 588385 - itsplit 1 - acceleration/energy drift too large 7.01016602088014 - 30.7022235586201 split increased to 2 itime 588734 +Momenta zeroed out, time 117799.80 + acceleration/energy drift too large 5.21647436883276 + 10.9007685074931 split increased to 2 itime 589238 itsplit 1 - acceleration/energy drift too large 3.97955984178738 - 15.1155234691490 split increased to 2 itime 588863 + acceleration/energy drift too large 8.69403675413787 + 37.3134869092854 split increased to 2 itime 589534 itsplit 1 -Momenta zeroed out, time 117799.80 - acceleration/energy drift too large 4.87352919600063 - 13.7169944240939 split increased to 2 itime 589201 + acceleration/energy drift too large 2.90554080654370 + 14.5201914512417 split increased to 2 itime 589824 itsplit 1 Velocities reset to random values, time 117999.80 Momenta zeroed out, time 117999.80 -Momenta zeroed out, time 118199.80 - acceleration/energy drift too large 8.52042536587675 - 29.5660035814242 split increased to 2 itime 591212 - itsplit 1 - acceleration/energy drift too large 3.79122133331464 - 15.9901426915088 split increased to 2 itime 591464 + acceleration/energy drift too large 6.83105135943389 + 22.4871666870147 split increased to 2 itime 590389 itsplit 1 +Momenta zeroed out, time 118199.80 Momenta zeroed out, time 118399.80 - acceleration/energy drift too large 3.33776071496775 - 17.6933750780702 split increased to 2 itime 592682 - itsplit 1 Momenta zeroed out, time 118599.80 - acceleration/energy drift too large 4.98613585191802 - 35.1537367921363 split increased to 2 itime 593787 - itsplit 1 - acceleration/energy drift too large 6.04097486795666 - 45.6246630170759 split increased to 2 itime 593859 - itsplit 1 - acceleration/energy drift too large 4.64715194020213 - 17.3449352883791 split increased to 2 itime 593951 + acceleration/energy drift too large 10.9004412690099 + 62.0277471499955 split increased to 2 itime 593456 itsplit 1 Momenta zeroed out, time 118799.80 - acceleration/energy drift too large 6.02362747475864 - 26.8846597243405 split increased to 2 itime 594530 - itsplit 1 - acceleration/energy drift too large 4.81812545456587 - 12.1062673762591 split increased to 2 itime 594912 + acceleration/energy drift too large 8.28720267090167 + 21.2862008811749 split increased to 2 itime 594694 itsplit 1 Momenta zeroed out, time 118999.80 - acceleration/energy drift too large 4.46407679581512 - 14.0140875394054 split increased to 2 itime 595285 + acceleration/energy drift too large 3.65743028048536 + 14.4204002963294 split increased to 2 itime 595014 + itsplit 1 + acceleration/energy drift too large 4.53711707994700 + 11.1162842621169 split increased to 2 itime 595426 itsplit 1 Momenta zeroed out, time 119199.80 - acceleration/energy drift too large 4.99881470995081 - 12.6371856923981 split increased to 2 itime 596261 + acceleration/energy drift too large 4.28610453409558 + 22.5343963494600 split increased to 2 itime 596129 itsplit 1 -Momenta zeroed out, time 119399.80 - acceleration/energy drift too large 3.81147790385095 - 11.2664546810608 split increased to 2 itime 597773 + acceleration/energy drift too large 5.92350391702568 + 32.9494196249967 split increased to 2 itime 596433 itsplit 1 - acceleration/energy drift too large 2.11714198494386 - 10.1700100867203 split increased to 2 itime 597774 + acceleration/energy drift too large 7.11940563012675 + 30.5504133145383 split increased to 2 itime 596755 itsplit 1 - acceleration/energy drift too large 4.40065856806301 - 15.1926541122594 split increased to 2 itime 597857 +Momenta zeroed out, time 119399.80 + acceleration/energy drift too large 4.00553042890102 + 13.6352708907951 split increased to 2 itime 597237 itsplit 1 - acceleration/energy drift too large 5.19359462303145 - 15.8094578086596 split increased to 2 itime 597939 + acceleration/energy drift too large 3.10697039714111 + 11.6206826516680 split increased to 2 itime 597819 itsplit 1 Momenta zeroed out, time 119599.80 - acceleration/energy drift too large 3.64370702497024 - 11.9233809547892 split increased to 2 itime 598538 + acceleration/energy drift too large 3.35912263250217 + 10.4510873382056 split increased to 2 itime 598157 itsplit 1 - acceleration/energy drift too large 8.17901829760079 - 29.8386712187374 split increased to 2 itime 598872 + acceleration/energy drift too large 5.02664599903372 + 13.8047015768756 split increased to 2 itime 598472 itsplit 1 Momenta zeroed out, time 119799.80 + acceleration/energy drift too large 4.54311522345776 + 17.5826896600177 split increased to 2 itime 599595 + itsplit 1 Velocities reset to random values, time 119999.80 Momenta zeroed out, time 119999.80 - acceleration/energy drift too large 5.87869299312566 - 28.9978934724592 split increased to 2 itime 600219 + acceleration/energy drift too large 5.11558126548109 + 13.5296924578772 split increased to 2 itime 600221 itsplit 1 - acceleration/energy drift too large 6.24672615569642 - 16.0045887853833 split increased to 2 itime 600347 + acceleration/energy drift too large 5.03942890987351 + 12.4632459655616 split increased to 2 itime 600759 itsplit 1 Momenta zeroed out, time 120199.80 Momenta zeroed out, time 120399.80 - acceleration/energy drift too large 5.39631659448886 - 13.2753055475087 split increased to 2 itime 602044 - itsplit 1 - acceleration/energy drift too large 4.45074248149467 - 13.0347096043890 split increased to 2 itime 602046 + acceleration/energy drift too large 3.99330443893054 + 19.2772247459566 split increased to 2 itime 602572 itsplit 1 Momenta zeroed out, time 120599.80 - acceleration/energy drift too large 5.31044149465632 - 13.9329228855063 split increased to 2 itime 603402 + acceleration/energy drift too large 9.23473255793924 + 35.8809710823736 split increased to 2 itime 603788 itsplit 1 - acceleration/energy drift too large 6.79046311277802 - 18.0530005242269 split increased to 2 itime 603627 + acceleration/energy drift too large 2.88518101992213 + 12.8981582138660 split increased to 4 itime 603788 itsplit 1 - acceleration/energy drift too large 4.59379281175098 - 23.5301330719595 split increased to 2 itime 603729 +Momenta zeroed out, time 120799.80 + acceleration/energy drift too large 2.13334978825345 + 11.0134347362758 split increased to 2 itime 604771 itsplit 1 - acceleration/energy drift too large 3.76766776225022 - 12.6661175821676 split increased to 2 itime 603735 + acceleration/energy drift too large 7.48109927317129 + 20.3304265625500 split increased to 2 itime 604908 itsplit 1 - acceleration/energy drift too large 5.69528820992469 - 15.1495446586219 split increased to 2 itime 603742 +Momenta zeroed out, time 120999.80 + acceleration/energy drift too large 3.83173624320067 + 13.6073483044498 split increased to 2 itime 605162 itsplit 1 - acceleration/energy drift too large 4.82926568719300 - 26.3840568630360 split increased to 2 itime 603861 + acceleration/energy drift too large 5.33083950210264 + 16.1463410765832 split increased to 2 itime 605759 itsplit 1 -Momenta zeroed out, time 120799.80 - acceleration/energy drift too large 5.66976458238172 - 10.6218885786392 split increased to 2 itime 604008 +Momenta zeroed out, time 121199.80 + acceleration/energy drift too large 7.20460068052292 + 53.1866695033840 split increased to 2 itime 606501 itsplit 1 - acceleration/energy drift too large 3.50971726022816 - 10.3805085300133 split increased to 2 itime 604039 + acceleration/energy drift too large 5.51811747691043 + 19.4963138223496 split increased to 2 itime 606621 itsplit 1 -Momenta zeroed out, time 120999.80 - acceleration/energy drift too large 8.37416085106968 - 41.1744553185032 split increased to 2 itime 605619 + acceleration/energy drift too large 5.50144454920450 + 22.4424066803276 split increased to 2 itime 606624 itsplit 1 - acceleration/energy drift too large 5.22477737067284 - 13.1240252187581 split increased to 2 itime 605999 + acceleration/energy drift too large 6.27276033038288 + 29.0685659141275 split increased to 2 itime 606676 itsplit 1 -Momenta zeroed out, time 121199.80 - acceleration/energy drift too large 3.72952191391865 - 14.4589460718738 split increased to 2 itime 606683 + acceleration/energy drift too large 5.53974591764030 + 18.8384168149476 split increased to 2 itime 606741 itsplit 1 - acceleration/energy drift too large 4.45709759177539 - 17.5310699326672 split increased to 2 itime 606817 + acceleration/energy drift too large 6.74306520551667 + 11.6375937319756 split increased to 2 itime 606905 itsplit 1 Momenta zeroed out, time 121399.80 + acceleration/energy drift too large 9.29040321599115 + 24.1186768867117 split increased to 2 itime 607974 + itsplit 1 Momenta zeroed out, time 121599.80 - acceleration/energy drift too large 7.90327460959609 - 37.3407279455902 split increased to 2 itime 608147 + acceleration/energy drift too large 3.03404600046843 + 22.8146252521179 split increased to 2 itime 608295 + itsplit 1 + acceleration/energy drift too large 5.84620321460071 + 20.1031932204640 split increased to 2 itime 608923 itsplit 1 Momenta zeroed out, time 121799.80 + acceleration/energy drift too large 6.55775323663154 + 39.2304240477323 split increased to 2 itime 609017 + itsplit 1 + acceleration/energy drift too large 4.50869411513781 + 18.4430093379698 split increased to 2 itime 609041 + itsplit 1 + acceleration/energy drift too large 3.14692163652259 + 12.7103021733849 split increased to 2 itime 609055 + itsplit 1 + acceleration/energy drift too large 8.30927172621563 + 21.5991341043842 split increased to 2 itime 609406 + itsplit 1 Velocities reset to random values, time 121999.80 Momenta zeroed out, time 121999.80 + acceleration/energy drift too large 2.30593545489557 + 10.7132885878239 split increased to 2 itime 610216 + itsplit 1 Momenta zeroed out, time 122199.80 - acceleration/energy drift too large 6.26326338693025 - 18.8158014771941 split increased to 2 itime 611028 + acceleration/energy drift too large 8.04575378185357 + 10.3678593256380 split increased to 2 itime 611388 + itsplit 1 + acceleration/energy drift too large 3.83984836009646 + 14.9580595188137 split increased to 2 itime 611463 + itsplit 1 + acceleration/energy drift too large 5.42023332232868 + 35.0587531279996 split increased to 2 itime 611595 itsplit 1 - acceleration/energy drift too large 3.15655560235091 - 17.8546812249034 split increased to 2 itime 611029 + acceleration/energy drift too large 5.82191033459155 + 19.1835114628975 split increased to 2 itime 611619 itsplit 1 - acceleration/energy drift too large 3.16434529054779 - 11.1494385298286 split increased to 2 itime 611373 + acceleration/energy drift too large 4.81783761704891 + 18.8802945900825 split increased to 2 itime 611765 + itsplit 1 + acceleration/energy drift too large 5.37744987607392 + 19.6315889155505 split increased to 2 itime 611869 + itsplit 1 + acceleration/energy drift too large 2.80173580317556 + 18.7633603306269 split increased to 2 itime 611883 + itsplit 1 + acceleration/energy drift too large 3.82673930879397 + 10.2267465094563 split increased to 2 itime 611962 itsplit 1 Momenta zeroed out, time 122399.80 + acceleration/energy drift too large 4.72120997347194 + 15.0163893945995 split increased to 2 itime 612410 + itsplit 1 Momenta zeroed out, time 122599.80 - acceleration/energy drift too large 7.67126326855967 - 23.0936847619490 split increased to 2 itime 613011 + acceleration/energy drift too large 6.67402229706111 + 18.1374610047933 split increased to 2 itime 613057 + itsplit 1 + acceleration/energy drift too large 7.18296006163759 + 21.2539455613198 split increased to 2 itime 613512 + itsplit 1 +Momenta zeroed out, time 122799.80 + acceleration/energy drift too large 4.87005373239037 + 13.9470402870894 split increased to 2 itime 614048 + itsplit 1 + acceleration/energy drift too large 5.91788137356355 + 14.8926390946921 split increased to 2 itime 614481 + itsplit 1 +Momenta zeroed out, time 122999.80 + acceleration/energy drift too large 8.12716988648618 + 35.1041930628964 split increased to 2 itime 615019 + itsplit 1 + acceleration/energy drift too large 0.444631430663758 + 16.6719882701467 split increased to 2 itime 615020 + itsplit 1 + acceleration/energy drift too large 12.1127575461665 + 65.6991253785601 split increased to 2 itime 615172 itsplit 1 -Momenta zeroed out, time 122799.80 - acceleration/energy drift too large 4.40742109026446 - 23.8620609446344 split increased to 2 itime 614049 + acceleration/energy drift too large 2.69557444920376 + 13.5397007587752 split increased to 4 itime 615172 + itsplit 2 + acceleration/energy drift too large 4.54981128466332 + 21.8150877021454 split increased to 2 itime 615225 itsplit 1 - acceleration/energy drift too large 3.08944707323799 - 11.1626674003234 split increased to 2 itime 614223 + acceleration/energy drift too large 2.78819668930738 + 14.4188469469033 split increased to 2 itime 615477 itsplit 1 - acceleration/energy drift too large 2.41575891124598 - 10.8950382595831 split increased to 2 itime 614226 + acceleration/energy drift too large 6.06937923881935 + 33.0535618884114 split increased to 2 itime 615498 itsplit 1 -Momenta zeroed out, time 122999.80 - acceleration/energy drift too large 11.8452672961433 - 62.6232710451753 split increased to 2 itime 615034 + acceleration/energy drift too large 5.49081519363401 + 10.9455602142587 split increased to 2 itime 615558 + itsplit 1 + acceleration/energy drift too large 4.03532791438694 + 14.2054489822548 split increased to 2 itime 615838 itsplit 1 Momenta zeroed out, time 123199.80 Momenta zeroed out, time 123399.80 -Momenta zeroed out, time 123599.80 - acceleration/energy drift too large 2.71435201437396 - 12.3898440809653 split increased to 2 itime 618424 + acceleration/energy drift too large 8.82225310888785 + 44.3095935594417 split increased to 2 itime 617373 + itsplit 1 + acceleration/energy drift too large 6.34542681932930 + 34.9511443234394 split increased to 2 itime 617863 itsplit 1 - acceleration/energy drift too large 8.42597896445116 - 31.9949600959395 split increased to 2 itime 618482 +Momenta zeroed out, time 123599.80 + acceleration/energy drift too large 9.76897023212179 + 31.0747240594807 split increased to 2 itime 618691 itsplit 1 - acceleration/energy drift too large 2.52820796294336 - 11.5784111131272 split increased to 4 itime 618482 + acceleration/energy drift too large 1.63032374461314 + 10.4472436933878 split increased to 2 itime 618692 itsplit 1 Momenta zeroed out, time 123799.80 - acceleration/energy drift too large 5.51595701581126 - 22.9462262667630 split increased to 2 itime 619462 + acceleration/energy drift too large 9.23366676894065 + 47.9438904082183 split increased to 2 itime 619432 itsplit 1 - acceleration/energy drift too large 4.50673854685691 - 14.1937637549973 split increased to 2 itime 619709 + acceleration/energy drift too large 2.63466325232625 + 25.0746421843872 split increased to 2 itime 619433 itsplit 1 - acceleration/energy drift too large 7.03015289891041 - 22.6980467184803 split increased to 2 itime 619723 + acceleration/energy drift too large 7.22999496383682 + 21.7649861505522 split increased to 2 itime 619494 itsplit 1 Velocities reset to random values, time 123999.80 Momenta zeroed out, time 123999.80 Momenta zeroed out, time 124199.80 - acceleration/energy drift too large 4.94843227330108 - 16.5325144046119 split increased to 2 itime 621129 - itsplit 1 - acceleration/energy drift too large 9.61450172029449 - 53.9278260869414 split increased to 2 itime 621415 + acceleration/energy drift too large 8.00203153902236 + 34.9248625648627 split increased to 2 itime 621354 itsplit 1 - acceleration/energy drift too large 2.39811970540807 - 13.5807004512341 split increased to 4 itime 621415 - itsplit 2 - acceleration/energy drift too large 4.94887290132440 - 29.8707216258172 split increased to 2 itime 621664 + acceleration/energy drift too large 0.167849986629284 + 12.0506350380915 split increased to 2 itime 621355 itsplit 1 - acceleration/energy drift too large 6.56800790723970 - 40.5013254052386 split increased to 2 itime 621851 + acceleration/energy drift too large 3.54237703995736 + 11.5617536514064 split increased to 2 itime 621664 itsplit 1 Momenta zeroed out, time 124399.80 - acceleration/energy drift too large 6.29338155718890 - 14.0966117753206 split increased to 2 itime 622902 - itsplit 1 Momenta zeroed out, time 124599.80 - acceleration/energy drift too large 3.73396876368112 - 21.2723802179975 split increased to 2 itime 623234 - itsplit 1 - acceleration/energy drift too large 5.00015667916901 - 12.1899102126335 split increased to 2 itime 623740 - itsplit 1 - acceleration/energy drift too large 1.90140270566170 - 10.9306451905337 split increased to 2 itime 623741 + acceleration/energy drift too large 3.84674502284541 + 14.3122547497747 split increased to 2 itime 623216 itsplit 1 Momenta zeroed out, time 124799.80 - acceleration/energy drift too large 4.39207243760556 - 23.6946697742500 split increased to 2 itime 624081 - itsplit 1 - acceleration/energy drift too large 4.83779362625359 - 23.1853583846666 split increased to 2 itime 624154 - itsplit 1 Momenta zeroed out, time 124999.80 - acceleration/energy drift too large 4.39453422119916 - 15.8033060181410 split increased to 2 itime 625821 + acceleration/energy drift too large 3.95784490455174 + 10.5640976628379 split increased to 2 itime 625914 itsplit 1 Momenta zeroed out, time 125199.80 - acceleration/energy drift too large 5.88625111077959 - 15.5670032532361 split increased to 2 itime 626807 + acceleration/energy drift too large 9.52867870318567 + 37.5830919616908 split increased to 2 itime 626723 itsplit 1 + acceleration/energy drift too large 11.2160020039449 + 58.2225582272924 split increased to 2 itime 626837 + itsplit 1 + acceleration/energy drift too large 2.74105010128722 + 12.7544717250228 split increased to 4 itime 626837 + itsplit 2 Momenta zeroed out, time 125399.80 - acceleration/energy drift too large 6.12966809354822 - 28.3385541154487 split increased to 2 itime 627291 + acceleration/energy drift too large 8.06940918610913 + 22.3775213359526 split increased to 2 itime 627238 itsplit 1 Momenta zeroed out, time 125599.80 -Momenta zeroed out, time 125799.80 - acceleration/energy drift too large 5.23448777269049 - 11.4627541752037 split increased to 2 itime 629407 - itsplit 1 - acceleration/energy drift too large 4.09230061044429 - 20.1179654601196 split increased to 2 itime 629713 - itsplit 1 - acceleration/energy drift too large 5.59012078860160 - 13.9001692219776 split increased to 2 itime 629900 + acceleration/energy drift too large 11.7349142490752 + 67.4172345284322 split increased to 2 itime 628847 itsplit 1 +Momenta zeroed out, time 125799.80 Velocities reset to random values, time 125999.80 Momenta zeroed out, time 125999.80 - acceleration/energy drift too large 3.43579251274978 - 23.0059625511562 split increased to 2 itime 630996 - itsplit 1 Momenta zeroed out, time 126199.80 + acceleration/energy drift too large 5.24265997175369 + 18.0618811846267 split increased to 2 itime 631812 + itsplit 1 Momenta zeroed out, time 126399.80 - acceleration/energy drift too large 4.46078354680530 - 15.6794944743389 split increased to 2 itime 632380 + acceleration/energy drift too large 2.57220241037580 + 10.6175357342798 split increased to 2 itime 632484 + itsplit 1 + acceleration/energy drift too large 4.61071469573081 + 13.9017831939053 split increased to 2 itime 632940 itsplit 1 Momenta zeroed out, time 126599.80 Momenta zeroed out, time 126799.80 - acceleration/energy drift too large 8.72571768690643 - 14.5294801192867 split increased to 2 itime 634029 - itsplit 1 Momenta zeroed out, time 126999.80 - acceleration/energy drift too large 5.04400326738640 - 20.5708799493234 split increased to 2 itime 635054 + acceleration/energy drift too large 7.93806226838911 + 16.4739919606371 split increased to 2 itime 635053 itsplit 1 - acceleration/energy drift too large 7.65654652697205 - 18.4850553131425 split increased to 2 itime 635960 + acceleration/energy drift too large 6.16944331794002 + 10.5120095343521 split increased to 2 itime 635245 + itsplit 1 + acceleration/energy drift too large 4.23766082483917 + 10.9501561052863 split increased to 2 itime 635559 + itsplit 1 + acceleration/energy drift too large 4.32286731670137 + 15.7902843377026 split increased to 2 itime 635669 + itsplit 1 + acceleration/energy drift too large 5.35344476525183 + 19.4251258011484 split increased to 2 itime 635692 + itsplit 1 + acceleration/energy drift too large 11.3219322218520 + 60.4281015643393 split increased to 2 itime 635918 itsplit 1 Momenta zeroed out, time 127199.80 - acceleration/energy drift too large 6.28144989052668 - 43.9621245732099 split increased to 2 itime 636577 + acceleration/energy drift too large 4.68885496411533 + 17.8288972634975 split increased to 2 itime 636516 itsplit 1 Momenta zeroed out, time 127399.80 + acceleration/energy drift too large 4.82165506963930 + 13.8331662443540 split increased to 2 itime 637208 + itsplit 1 + acceleration/energy drift too large 6.31428657466456 + 11.1515902151088 split increased to 2 itime 637312 + itsplit 1 Momenta zeroed out, time 127599.80 Momenta zeroed out, time 127799.80 - acceleration/energy drift too large 7.06692689083271 - 19.6139830599301 split increased to 2 itime 639006 +Velocities reset to random values, time 127999.80 +Momenta zeroed out, time 127999.80 + acceleration/energy drift too large 4.44088415625809 + 22.3856688408667 split increased to 2 itime 640324 itsplit 1 - acceleration/energy drift too large 8.87238479362942 - 37.3406392914879 split increased to 2 itime 639161 + acceleration/energy drift too large 11.4127614908755 + 60.0026574188204 split increased to 2 itime 640545 itsplit 1 - acceleration/energy drift too large 5.23605549730427 - 16.2936894583169 split increased to 2 itime 639549 + acceleration/energy drift too large 2.44447581912844 + 11.9647621425161 split increased to 4 itime 640545 + itsplit 2 + acceleration/energy drift too large 3.03359129718745 + 13.0370753096867 split increased to 2 itime 640714 itsplit 1 -Velocities reset to random values, time 127999.80 -Momenta zeroed out, time 127999.80 - acceleration/energy drift too large 2.89217320711470 - 10.3648587539866 split increased to 2 itime 640612 + acceleration/energy drift too large 6.96213293754636 + 24.7773362548189 split increased to 2 itime 640729 itsplit 1 Momenta zeroed out, time 128199.80 -Momenta zeroed out, time 128399.80 - acceleration/energy drift too large 6.25763402502015 - 18.4220951338312 split increased to 2 itime 642361 + acceleration/energy drift too large 4.47266623897773 + 12.9054705919466 split increased to 2 itime 641290 itsplit 1 - acceleration/energy drift too large 10.9478922306969 - 58.0054454967347 split increased to 2 itime 642908 + acceleration/energy drift too large 3.50838792829214 + 13.2250004353396 split increased to 2 itime 641567 itsplit 1 -Momenta zeroed out, time 128599.80 - acceleration/energy drift too large 4.49821130277815 - 28.3729167724758 split increased to 2 itime 643100 + acceleration/energy drift too large 5.86780914190270 + 12.0263194455428 split increased to 2 itime 641644 itsplit 1 +Momenta zeroed out, time 128399.80 +Momenta zeroed out, time 128599.80 Momenta zeroed out, time 128799.80 - acceleration/energy drift too large 5.62250674849887 - 31.8757986565231 split increased to 2 itime 644162 - itsplit 1 - acceleration/energy drift too large 4.94321002287430 - 20.2550284812431 split increased to 2 itime 644233 - itsplit 1 Momenta zeroed out, time 128999.80 - acceleration/energy drift too large 2.66038810918103 - 10.3655711363642 split increased to 2 itime 645003 - itsplit 1 - acceleration/energy drift too large 4.77476476671198 - 20.6185425770119 split increased to 2 itime 645178 + acceleration/energy drift too large 3.39443930699717 + 10.2659155426784 split increased to 2 itime 645466 itsplit 1 - acceleration/energy drift too large 6.46353290948130 - 13.7931972275562 split increased to 2 itime 645440 + acceleration/energy drift too large 2.20114407700305 + 10.6732958583520 split increased to 2 itime 645958 itsplit 1 Momenta zeroed out, time 129199.80 - acceleration/energy drift too large 9.17928448256780 - 33.2678811379539 split increased to 2 itime 646002 - itsplit 1 - acceleration/energy drift too large 1.72353476700442 - 25.6641517358424 split increased to 2 itime 646003 - itsplit 1 - acceleration/energy drift too large 3.69734218103907 - 14.1866180936778 split increased to 2 itime 646018 + acceleration/energy drift too large 3.59361090895243 + 18.0968151457035 split increased to 2 itime 646490 itsplit 1 Momenta zeroed out, time 129399.80 -Momenta zeroed out, time 129599.80 - acceleration/energy drift too large 4.86129880403953 - 14.8817049786761 split increased to 2 itime 648642 + acceleration/energy drift too large 9.78704023670836 + 48.8785323889661 split increased to 2 itime 647641 itsplit 1 - acceleration/energy drift too large 2.69230958061713 - 16.8546118514029 split increased to 2 itime 648960 +Momenta zeroed out, time 129599.80 + acceleration/energy drift too large 5.59453994546422 + 13.3345021717329 split increased to 2 itime 648019 itsplit 1 Momenta zeroed out, time 129799.80 - acceleration/energy drift too large 2.64171884557822 - 16.1618429092094 split increased to 2 itime 649646 + acceleration/energy drift too large 5.31457978326253 + 17.5000148220234 split increased to 2 itime 649242 + itsplit 1 + acceleration/energy drift too large 13.7303555230020 + 67.0285001188324 split increased to 2 itime 649604 + itsplit 1 + acceleration/energy drift too large 3.27388180446927 + 23.6063804216715 split increased to 4 itime 649604 + itsplit 1 + acceleration/energy drift too large 4.01926184233647 + 20.5153332973799 split increased to 2 itime 649804 + itsplit 1 + acceleration/energy drift too large 3.08609067294593 + 12.2372042001133 split increased to 2 itime 649927 itsplit 1 Velocities reset to random values, time 129999.80 Momenta zeroed out, time 129999.80 -Momenta zeroed out, time 130199.80 - acceleration/energy drift too large 4.59887575956026 - 11.3065318825304 split increased to 2 itime 651708 - itsplit 1 - acceleration/energy drift too large 7.79160761974158 - 42.4478873424333 split increased to 2 itime 651809 + acceleration/energy drift too large 4.21202988246801 + 17.1042958151147 split increased to 2 itime 650397 itsplit 1 - acceleration/energy drift too large 2.48965611132093 - 10.5790190873470 split increased to 4 itime 651809 + acceleration/energy drift too large 6.79273391420515 + 19.6682596929385 split increased to 2 itime 650707 itsplit 1 +Momenta zeroed out, time 130199.80 Momenta zeroed out, time 130399.80 Momenta zeroed out, time 130599.80 + acceleration/energy drift too large 3.45182121497818 + 11.7391235322660 split increased to 2 itime 653014 + itsplit 1 Momenta zeroed out, time 130799.80 - acceleration/energy drift too large 4.10089381307107 - 23.4213047634680 split increased to 2 itime 654892 + acceleration/energy drift too large 3.69868674241250 + 18.9421217325055 split increased to 2 itime 654115 + itsplit 1 + acceleration/energy drift too large 7.20504139100015 + 23.2672180524983 split increased to 2 itime 654394 itsplit 1 Momenta zeroed out, time 130999.80 - acceleration/energy drift too large 3.67584116515295 - 16.6935019598277 split increased to 2 itime 655604 + acceleration/energy drift too large 2.43001015266647 + 10.1458699068169 split increased to 2 itime 655116 itsplit 1 - acceleration/energy drift too large 1.66516750694569 - 10.4468309391839 split increased to 2 itime 655606 + acceleration/energy drift too large 11.9887420618176 + 82.7503137982017 split increased to 2 itime 655215 itsplit 1 - acceleration/energy drift too large 4.14370533986095 - 13.4605466102472 split increased to 2 itime 655799 + acceleration/energy drift too large 5.99200424970910 + 24.0108854207888 split increased to 2 itime 655981 itsplit 1 - acceleration/energy drift too large 6.18733237215072 - 22.0982494062241 split increased to 2 itime 655804 + acceleration/energy drift too large 8.68280047753096 + 36.1862127340426 split increased to 2 itime 655997 itsplit 1 Momenta zeroed out, time 131199.80 - acceleration/energy drift too large 9.12177605852103 - 35.8679375350698 split increased to 2 itime 656099 - itsplit 1 - acceleration/energy drift too large 2.86958342350707 - 17.5049064150717 split increased to 2 itime 656100 - itsplit 1 - acceleration/energy drift too large 15.1073140992738 - 89.3549424315398 split increased to 2 itime 656130 - itsplit 1 - acceleration/energy drift too large 4.20949980272017 - 23.3460735044863 split increased to 2 itime 656512 - itsplit 1 - acceleration/energy drift too large 3.82709935762483 - 18.6256505164785 split increased to 2 itime 656513 - itsplit 1 - acceleration/energy drift too large 5.12426173234793 - 14.5266498734650 split increased to 2 itime 656723 - itsplit 1 - acceleration/energy drift too large 4.22832594612725 - 15.0374733011133 split increased to 2 itime 656786 + acceleration/energy drift too large 5.51171386743299 + 18.7692260173524 split increased to 2 itime 656679 itsplit 1 Momenta zeroed out, time 131399.80 - acceleration/energy drift too large 7.38565227134312 - 49.8343725446199 split increased to 2 itime 657382 + acceleration/energy drift too large 9.38282009681950 + 47.1344730647242 split increased to 2 itime 657448 + itsplit 1 + acceleration/energy drift too large 3.50387206673907 + 14.5266610681897 split increased to 2 itime 657537 itsplit 1 - acceleration/energy drift too large 4.05330612632553 - 12.1115743391397 split increased to 2 itime 657792 + acceleration/energy drift too large 9.25966529531566 + 33.2050825012393 split increased to 2 itime 657986 itsplit 1 Momenta zeroed out, time 131599.80 Momenta zeroed out, time 131799.80 Velocities reset to random values, time 131999.80 Momenta zeroed out, time 131999.80 - acceleration/energy drift too large 3.79997612944423 - 18.0569017537643 split increased to 2 itime 660071 +Momenta zeroed out, time 132199.80 + acceleration/energy drift too large 5.98204158497963 + 19.1645527260118 split increased to 2 itime 661169 itsplit 1 - acceleration/energy drift too large 3.21348864148131 - 11.3537277264828 split increased to 2 itime 660981 + acceleration/energy drift too large 2.42364143599081 + 17.4886132484973 split increased to 2 itime 661203 + itsplit 1 + acceleration/energy drift too large 8.25270497015575 + 38.1810430262563 split increased to 2 itime 661398 + itsplit 1 + acceleration/energy drift too large 4.16977929928829 + 11.9589817462911 split increased to 2 itime 661592 + itsplit 1 + acceleration/energy drift too large 8.11374163716730 + 22.7717904081741 split increased to 2 itime 661818 + itsplit 1 + acceleration/energy drift too large 3.46940049044001 + 19.8942959376708 split increased to 2 itime 661829 itsplit 1 -Momenta zeroed out, time 132199.80 Momenta zeroed out, time 132399.80 Momenta zeroed out, time 132599.80 - acceleration/energy drift too large 6.61137996201282 - 28.9060795510409 split increased to 2 itime 663327 + acceleration/energy drift too large 3.49198485923149 + 10.6611464990317 split increased to 2 itime 663172 itsplit 1 - acceleration/energy drift too large 5.84697884775710 - 27.3141853592706 split increased to 2 itime 663611 + acceleration/energy drift too large 6.16504354922725 + 27.5548664634605 split increased to 2 itime 663456 + itsplit 1 + acceleration/energy drift too large 3.46270090675953 + 12.3240893674203 split increased to 2 itime 663457 itsplit 1 Momenta zeroed out, time 132799.80 - acceleration/energy drift too large 5.76002674939156 - 19.9927878868954 split increased to 2 itime 664761 + acceleration/energy drift too large 3.86797864025482 + 10.8184355171178 split increased to 2 itime 664819 itsplit 1 Momenta zeroed out, time 132999.80 - acceleration/energy drift too large 5.71607786255730 - 17.9307792752435 split increased to 2 itime 665064 + acceleration/energy drift too large 3.12198535199107 + 14.4270548461365 split increased to 2 itime 665575 + itsplit 1 + acceleration/energy drift too large 6.45581318390796 + 48.9242899700141 split increased to 2 itime 665795 itsplit 1 Momenta zeroed out, time 133199.80 -Momenta zeroed out, time 133399.80 - acceleration/energy drift too large 5.11653748289020 - 22.6786063622407 split increased to 2 itime 667891 + acceleration/energy drift too large 5.12998672318716 + 18.7939471073570 split increased to 2 itime 666103 + itsplit 1 + acceleration/energy drift too large 3.23575758549413 + 10.4731706520445 split increased to 2 itime 666454 itsplit 1 +Momenta zeroed out, time 133399.80 Momenta zeroed out, time 133599.80 + acceleration/energy drift too large 2.22754453162778 + 10.8237312905615 split increased to 2 itime 668075 + itsplit 1 + acceleration/energy drift too large 3.99745072420408 + 18.6252812977634 split increased to 2 itime 668554 + itsplit 1 + acceleration/energy drift too large 6.85891426250593 + 22.4878293588948 split increased to 2 itime 668566 + itsplit 1 Momenta zeroed out, time 133799.80 - acceleration/energy drift too large 9.48214220868406 - 46.1830052094523 split increased to 2 itime 669724 + acceleration/energy drift too large 5.79611046343120 + 20.0073087079884 split increased to 2 itime 669001 + itsplit 1 + acceleration/energy drift too large 3.95328000014351 + 16.6027163053267 split increased to 2 itime 669040 itsplit 1 Velocities reset to random values, time 133999.80 Momenta zeroed out, time 133999.80 + acceleration/energy drift too large 3.55057833930349 + 11.9780442603206 split increased to 2 itime 670334 + itsplit 1 Momenta zeroed out, time 134199.80 - acceleration/energy drift too large 3.87593687005277 - 11.7171261495864 split increased to 2 itime 671838 + acceleration/energy drift too large 5.42693366963522 + 22.6747468499357 split increased to 2 itime 671012 itsplit 1 Momenta zeroed out, time 134399.80 - acceleration/energy drift too large 6.29715791097155 - 25.7192119167026 split increased to 2 itime 672266 + acceleration/energy drift too large 6.37835278218886 + 21.7524509082172 split increased to 2 itime 672326 itsplit 1 - acceleration/energy drift too large 2.35299554017291 - 10.1186034153154 split increased to 2 itime 672348 + acceleration/energy drift too large 3.97256777319556 + 11.6365227599047 split increased to 2 itime 672349 + itsplit 1 + acceleration/energy drift too large 4.55348524362336 + 12.4528808549357 split increased to 2 itime 672566 itsplit 1 Momenta zeroed out, time 134599.80 - acceleration/energy drift too large 6.86832435065546 - 27.7621506012015 split increased to 2 itime 673399 + acceleration/energy drift too large 7.82500802656768 + 29.7780719787770 split increased to 2 itime 673175 + itsplit 1 + acceleration/energy drift too large 3.40293335075843 + 12.3513343986374 split increased to 2 itime 673386 itsplit 1 Momenta zeroed out, time 134799.80 - acceleration/energy drift too large 6.91215876410742 - 14.1656501388724 split increased to 2 itime 674821 + acceleration/energy drift too large 4.61724818144572 + 13.1206784489745 split increased to 2 itime 674479 + itsplit 1 + acceleration/energy drift too large 2.56468122822681 + 16.6450030001432 split increased to 2 itime 674674 + itsplit 1 + acceleration/energy drift too large 3.13549951218682 + 10.1034031864936 split increased to 2 itime 674968 itsplit 1 Momenta zeroed out, time 134999.80 -Momenta zeroed out, time 135199.80 - acceleration/energy drift too large 3.43877774154970 - 14.0146943324891 split increased to 2 itime 676430 + acceleration/energy drift too large 4.06762218555435 + 18.4663104738146 split increased to 2 itime 675175 itsplit 1 -Momenta zeroed out, time 135399.80 - acceleration/energy drift too large 4.83761637279186 - 18.1339491621529 split increased to 2 itime 677368 + acceleration/energy drift too large 4.58659864314595 + 22.9902638063251 split increased to 2 itime 675245 itsplit 1 - acceleration/energy drift too large 6.37644079598462 - 15.0498709851611 split increased to 2 itime 677602 + acceleration/energy drift too large 5.41344029757308 + 25.0599208780607 split increased to 2 itime 675476 itsplit 1 - acceleration/energy drift too large 7.46257934108434 - 54.9217128302225 split increased to 2 itime 677639 + acceleration/energy drift too large 5.97621317441374 + 44.9765276362821 split increased to 2 itime 675856 + itsplit 1 +Momenta zeroed out, time 135199.80 +Momenta zeroed out, time 135399.80 + acceleration/energy drift too large 4.30562909065721 + 12.5629636086541 split increased to 2 itime 677281 itsplit 1 Momenta zeroed out, time 135599.80 - acceleration/energy drift too large 5.78749953868565 - 17.2496068173213 split increased to 2 itime 678359 + acceleration/energy drift too large 4.93339694572619 + 15.1222883925668 split increased to 2 itime 678764 + itsplit 1 + acceleration/energy drift too large 5.02564001308922 + 16.4056916345195 split increased to 2 itime 678770 itsplit 1 Momenta zeroed out, time 135799.80 - acceleration/energy drift too large 4.10623848747929 - 24.1510863450888 split increased to 2 itime 679157 + acceleration/energy drift too large 4.90500419881134 + 10.6459159900004 split increased to 2 itime 679724 itsplit 1 Velocities reset to random values, time 135999.80 Momenta zeroed out, time 135999.80 - acceleration/energy drift too large 8.45050906998123 - 47.8485320750721 split increased to 2 itime 680315 + acceleration/energy drift too large 4.48829904527868 + 14.3941828418744 split increased to 2 itime 680139 itsplit 1 - acceleration/energy drift too large 1.47845467040522 - 11.3294706004658 split increased to 2 itime 680316 + acceleration/energy drift too large 6.35341247656752 + 22.7718072512102 split increased to 2 itime 680691 itsplit 1 - acceleration/energy drift too large 5.93495365971642 - 12.8355772961044 split increased to 2 itime 680491 - itsplit 1 - acceleration/energy drift too large 3.13843906883068 - 17.3971443447017 split increased to 4 itime 680491 - itsplit 1 - acceleration/energy drift too large 4.04417753320709 - 11.7114099075210 split increased to 2 itime 680695 - itsplit 1 - acceleration/energy drift too large 11.4232195660697 - 56.8250762203686 split increased to 2 itime 680860 - itsplit 1 - acceleration/energy drift too large 4.40447914857949 - 10.7289169466323 split increased to 2 itime 680940 + acceleration/energy drift too large 6.44521249623060 + 18.9350266058114 split increased to 2 itime 680729 itsplit 1 Momenta zeroed out, time 136199.80 - acceleration/energy drift too large 13.5413437233089 - 76.5986024269849 split increased to 2 itime 681648 + acceleration/energy drift too large 2.59604535954533 + 14.7243695290902 split increased to 2 itime 681376 itsplit 1 - acceleration/energy drift too large 7.28363168891964 - 18.0148217972191 split increased to 2 itime 681714 - itsplit 1 - acceleration/energy drift too large 6.58667237318857 - 15.8494980644016 split increased to 2 itime 681891 + acceleration/energy drift too large 7.39403527033440 + 32.7749904845333 split increased to 2 itime 681474 itsplit 1 Momenta zeroed out, time 136399.80 - acceleration/energy drift too large 6.62735859535211 - 48.0617498090296 split increased to 2 itime 682155 - itsplit 1 - acceleration/energy drift too large 1.60675321214488 - 11.3791198506385 split increased to 4 itime 682155 - itsplit 2 - acceleration/energy drift too large 5.97138001014810 - 17.0695404505420 split increased to 2 itime 682831 - itsplit 1 Momenta zeroed out, time 136599.80 - acceleration/energy drift too large 5.96542111104526 - 15.8917107306586 split increased to 2 itime 683160 + acceleration/energy drift too large 3.96126952146686 + 11.3935326418707 split increased to 2 itime 683272 itsplit 1 - acceleration/energy drift too large 5.41801380816136 - 16.2832459231711 split increased to 2 itime 683871 + acceleration/energy drift too large 4.99014219732078 + 13.0656506760317 split increased to 2 itime 683718 itsplit 1 Momenta zeroed out, time 136799.80 - acceleration/energy drift too large 5.23158979770223 - 26.7338012929503 split increased to 2 itime 684519 + acceleration/energy drift too large 3.88301642448806 + 15.8294456828096 split increased to 2 itime 684113 itsplit 1 - acceleration/energy drift too large 6.77988944223573 - 44.7883146880138 split increased to 2 itime 684690 + acceleration/energy drift too large 3.16802913535491 + 11.7961180466075 split increased to 2 itime 684114 itsplit 1 Momenta zeroed out, time 136999.80 - acceleration/energy drift too large 3.63674657160454 - 11.9287571538758 split increased to 2 itime 685210 + acceleration/energy drift too large 2.67454231877737 + 16.7830508476163 split increased to 2 itime 685594 + itsplit 1 + acceleration/energy drift too large 6.82928462653400 + 21.5733650189406 split increased to 2 itime 685882 itsplit 1 Momenta zeroed out, time 137199.80 - acceleration/energy drift too large 3.88131856924305 - 14.7760043761661 split increased to 2 itime 686534 + acceleration/energy drift too large 8.41465586996485 + 40.1897076932880 split increased to 2 itime 686302 itsplit 1 - acceleration/energy drift too large 3.92277315861668 - 21.3786610220116 split increased to 2 itime 686886 + acceleration/energy drift too large 5.60142790946797 + 17.0017560948457 split increased to 2 itime 686353 itsplit 1 - acceleration/energy drift too large 4.54518243729281 - 24.8901957683960 split increased to 2 itime 686997 + acceleration/energy drift too large 4.61991117089241 + 11.0026185746093 split increased to 2 itime 686644 itsplit 1 Momenta zeroed out, time 137399.80 - acceleration/energy drift too large 4.55018050289101 - 10.5614077198606 split increased to 2 itime 687330 + acceleration/energy drift too large 8.35264174276579 + 20.8853167595187 split increased to 2 itime 687153 + itsplit 1 + acceleration/energy drift too large 5.29406839569086 + 10.9103954952729 split increased to 2 itime 687208 itsplit 1 - acceleration/energy drift too large 3.94141508285101 - 12.0610303140682 split increased to 2 itime 687865 + acceleration/energy drift too large 7.42368585367038 + 24.4031443351246 split increased to 2 itime 687240 + itsplit 1 + acceleration/energy drift too large 5.26179112668838 + 29.1388896381401 split increased to 2 itime 687347 itsplit 1 Momenta zeroed out, time 137599.80 + acceleration/energy drift too large 4.02587726974331 + 14.3373650884362 split increased to 2 itime 688365 + itsplit 1 Momenta zeroed out, time 137799.80 - acceleration/energy drift too large 5.89256913344445 - 19.2228729123121 split increased to 2 itime 689525 + acceleration/energy drift too large 4.12047927035313 + 14.5561903129886 split increased to 2 itime 689397 + itsplit 1 + acceleration/energy drift too large 8.57846258402422 + 29.7620263397066 split increased to 2 itime 689760 itsplit 1 Velocities reset to random values, time 137999.80 Momenta zeroed out, time 137999.80 - acceleration/energy drift too large 2.95392582960432 - 20.7707422493518 split increased to 2 itime 690899 - itsplit 1 Momenta zeroed out, time 138199.80 -Momenta zeroed out, time 138399.80 - acceleration/energy drift too large 4.57662610894787 - 20.5553102517756 split increased to 2 itime 692523 + acceleration/energy drift too large 6.25973053656570 + 37.3135449293539 split increased to 2 itime 691087 itsplit 1 -Momenta zeroed out, time 138599.80 - acceleration/energy drift too large 7.17783757065027 - 17.6848893015849 split increased to 2 itime 693111 + acceleration/energy drift too large 3.06079105246855 + 10.4994992749684 split increased to 2 itime 691425 itsplit 1 - acceleration/energy drift too large 4.55754797407271 - 15.8395949942216 split increased to 2 itime 693469 + acceleration/energy drift too large 5.13951302686772 + 11.8201159298593 split increased to 2 itime 691602 itsplit 1 - acceleration/energy drift too large 4.76655983201453 - 16.1780128383195 split increased to 2 itime 693853 +Momenta zeroed out, time 138399.80 + acceleration/energy drift too large 2.91421456815402 + 18.0443496926625 split increased to 2 itime 692285 itsplit 1 - acceleration/energy drift too large 4.88532599694357 - 19.9590143079145 split increased to 2 itime 693872 + acceleration/energy drift too large 12.2766406738255 + 80.4669460268187 split increased to 2 itime 692823 itsplit 1 -Momenta zeroed out, time 138799.80 - acceleration/energy drift too large 5.69144356969060 - 25.7192607452662 split increased to 2 itime 694376 +Momenta zeroed out, time 138599.80 + acceleration/energy drift too large 10.5423917733858 + 75.1660897084713 split increased to 2 itime 693302 + itsplit 1 + acceleration/energy drift too large 6.81453729790064 + 22.6207079403647 split increased to 2 itime 693535 itsplit 1 +Momenta zeroed out, time 138799.80 Momenta zeroed out, time 138999.80 -Momenta zeroed out, time 139199.80 - acceleration/energy drift too large 5.14553187504108 - 16.1781926681402 split increased to 2 itime 696530 + acceleration/energy drift too large 4.23163736969035 + 12.7861245098762 split increased to 2 itime 695051 itsplit 1 + acceleration/energy drift too large 5.52583144582481 + 31.2354150914152 split increased to 2 itime 695502 + itsplit 1 +Momenta zeroed out, time 139199.80 Momenta zeroed out, time 139399.80 - acceleration/energy drift too large 5.15925041139462 - 20.0870447934610 split increased to 2 itime 697522 + acceleration/energy drift too large 4.41087763964917 + 22.2513383672146 split increased to 2 itime 697639 itsplit 1 Momenta zeroed out, time 139599.80 - acceleration/energy drift too large 4.28410452769023 - 25.9293463384209 split increased to 2 itime 698243 + acceleration/energy drift too large 5.99761746486207 + 16.8627781372238 split increased to 2 itime 698003 itsplit 1 -Momenta zeroed out, time 139799.80 - acceleration/energy drift too large 6.37032207164267 - 20.0583020249492 split increased to 2 itime 699343 - itsplit 1 - acceleration/energy drift too large 5.28339816348471 - 29.5861020960383 split increased to 2 itime 699680 - itsplit 1 - acceleration/energy drift too large 4.54715344192330 - 23.2207180447490 split increased to 2 itime 699761 - itsplit 1 - acceleration/energy drift too large 9.11838292830561 - 44.6037167074590 split increased to 2 itime 699882 + acceleration/energy drift too large 13.2414767427244 + 75.5079650821496 split increased to 2 itime 698221 itsplit 1 - acceleration/energy drift too large 2.12853241893196 - 12.4209690731863 split increased to 2 itime 699959 + acceleration/energy drift too large 3.22845470062807 + 18.9911611265116 split increased to 4 itime 698221 + itsplit 2 +Momenta zeroed out, time 139799.80 + acceleration/energy drift too large 4.60074863371079 + 21.5558511910011 split increased to 2 itime 699654 itsplit 1 Velocities reset to random values, time 139999.80 Momenta zeroed out, time 139999.80 - acceleration/energy drift too large 3.60684751497010 - 11.2527763463294 split increased to 2 itime 700133 - itsplit 1 - acceleration/energy drift too large 6.16904263564318 - 12.0966181988170 split increased to 2 itime 700180 - itsplit 1 - acceleration/energy drift too large 9.13706678819126 - 37.4285014363373 split increased to 2 itime 700262 +Momenta zeroed out, time 140199.80 + acceleration/energy drift too large 4.27314770575789 + 18.8902685995613 split increased to 2 itime 701569 itsplit 1 - acceleration/energy drift too large 7.43837420366838 - 22.4184989478579 split increased to 2 itime 700949 + acceleration/energy drift too large 2.55324776350500 + 12.0021487961024 split increased to 2 itime 701570 itsplit 1 -Momenta zeroed out, time 140199.80 - acceleration/energy drift too large 2.79508994225330 - 10.8589112374283 split increased to 2 itime 701596 + acceleration/energy drift too large 6.42314133031418 + 12.8292473419109 split increased to 2 itime 701626 itsplit 1 Momenta zeroed out, time 140399.80 - acceleration/energy drift too large 2.40990669177411 - 14.8285692415788 split increased to 2 itime 702231 + acceleration/energy drift too large 6.21688050789747 + 14.5262433983780 split increased to 2 itime 702967 itsplit 1 - acceleration/energy drift too large 2.57510290604082 - 21.7307157519805 split increased to 2 itime 702642 + acceleration/energy drift too large 4.85222057942012 + 12.9751149188400 split increased to 2 itime 702968 itsplit 1 Momenta zeroed out, time 140599.80 - acceleration/energy drift too large 4.35232290553461 - 11.1262659868794 split increased to 2 itime 703563 - itsplit 1 - acceleration/energy drift too large 4.39951884301948 - 12.8239779772804 split increased to 2 itime 703923 + acceleration/energy drift too large 6.64072184151784 + 13.9937110690914 split increased to 2 itime 703043 itsplit 1 Momenta zeroed out, time 140799.80 - acceleration/energy drift too large 4.96034356597724 - 28.9901601024850 split increased to 2 itime 704405 + acceleration/energy drift too large 3.05094274614625 + 13.9980368739374 split increased to 2 itime 704061 itsplit 1 - acceleration/energy drift too large 3.79379084503052 - 15.0426946572386 split increased to 2 itime 704940 + acceleration/energy drift too large 6.90248108743705 + 18.5812100990042 split increased to 2 itime 704290 itsplit 1 Momenta zeroed out, time 140999.80 - acceleration/energy drift too large 2.43144742112816 - 10.5360914072424 split increased to 2 itime 705372 + acceleration/energy drift too large 8.86289665797795 + 35.7775491847734 split increased to 2 itime 705009 itsplit 1 - acceleration/energy drift too large 11.9605295419970 - 80.2918303794400 split increased to 2 itime 705825 + acceleration/energy drift too large 3.38254301620795 + 13.6313332984397 split increased to 2 itime 705010 itsplit 1 Momenta zeroed out, time 141199.80 -Momenta zeroed out, time 141399.80 - acceleration/energy drift too large 4.82657909715175 - 13.3144718854491 split increased to 2 itime 707343 + acceleration/energy drift too large 2.04007866118935 + 10.5775727657066 split increased to 2 itime 706296 itsplit 1 +Momenta zeroed out, time 141399.80 Momenta zeroed out, time 141599.80 - acceleration/energy drift too large 7.59233505081233 - 37.4805257426948 split increased to 2 itime 708073 - itsplit 1 - acceleration/energy drift too large 9.40799430052521 - 71.6427280993096 split increased to 2 itime 708190 - itsplit 1 - acceleration/energy drift too large 8.30027959538790 - 29.8962546582864 split increased to 2 itime 708260 - itsplit 1 - acceleration/energy drift too large 3.57272025081847 - 17.8981611366133 split increased to 2 itime 708712 - itsplit 1 Momenta zeroed out, time 141799.80 - acceleration/energy drift too large 7.74672079064674 - 25.1179087642167 split increased to 2 itime 709277 + acceleration/energy drift too large 7.40485665417015 + 28.8773199677561 split increased to 2 itime 709042 + itsplit 1 + acceleration/energy drift too large 3.67203762557605 + 12.5205033933453 split increased to 2 itime 709225 itsplit 1 Velocities reset to random values, time 141999.80 Momenta zeroed out, time 141999.80 - acceleration/energy drift too large 3.39052229283404 - 13.2716847987053 split increased to 2 itime 710372 + acceleration/energy drift too large 10.0983811594932 + 48.7543456602952 split increased to 2 itime 710222 itsplit 1 -Momenta zeroed out, time 142199.80 - acceleration/energy drift too large 13.2526568016037 - 70.2789851302130 split increased to 2 itime 711160 + acceleration/energy drift too large 4.66061161174908 + 21.9216256970304 split increased to 2 itime 710806 itsplit 1 - acceleration/energy drift too large 2.94413323232951 - 11.7569510692933 split increased to 2 itime 711204 + acceleration/energy drift too large 4.83267092274536 + 24.9109456465722 split increased to 2 itime 710825 itsplit 1 - acceleration/energy drift too large 5.19738464603031 - 11.3044590449245 split increased to 2 itime 711233 + acceleration/energy drift too large 4.27504983444492 + 12.8371175937083 split increased to 2 itime 710888 itsplit 1 +Momenta zeroed out, time 142199.80 Momenta zeroed out, time 142399.80 - acceleration/energy drift too large 6.39992773843750 - 13.7619270598607 split increased to 2 itime 712426 - itsplit 1 - acceleration/energy drift too large 3.81612753062692 - 12.9873434478340 split increased to 2 itime 712615 - itsplit 1 Momenta zeroed out, time 142599.80 Momenta zeroed out, time 142799.80 - acceleration/energy drift too large 2.90404779505460 - 11.8810980568190 split increased to 2 itime 714141 + acceleration/energy drift too large 5.51056643675939 + 15.3050330506435 split increased to 2 itime 714267 + itsplit 1 + acceleration/energy drift too large 2.38925656826146 + 11.8212899764743 split increased to 2 itime 714359 itsplit 1 Momenta zeroed out, time 142999.80 - acceleration/energy drift too large 13.0174129219225 - 82.3913331677041 split increased to 2 itime 715974 + acceleration/energy drift too large 5.32964602547756 + 28.7165581103847 split increased to 2 itime 715615 + itsplit 1 + acceleration/energy drift too large 4.66749914709167 + 23.0205935403526 split increased to 2 itime 715788 itsplit 1 Momenta zeroed out, time 143199.80 - acceleration/energy drift too large 2.82984071043216 - 11.6324224049004 split increased to 2 itime 716859 + acceleration/energy drift too large 5.58277720255877 + 25.7330653141151 split increased to 2 itime 716905 itsplit 1 Momenta zeroed out, time 143399.80 - acceleration/energy drift too large 9.99840252214959 - 47.0508450283450 split increased to 2 itime 717274 - itsplit 1 - acceleration/energy drift too large 13.7117117912459 - 84.0916898171020 split increased to 2 itime 717938 + acceleration/energy drift too large 4.80279898863017 + 22.3078979384754 split increased to 2 itime 717958 itsplit 1 Momenta zeroed out, time 143599.80 - acceleration/energy drift too large 3.75553545399898 - 22.7854472086259 split increased to 2 itime 718173 - itsplit 1 - acceleration/energy drift too large 4.06975005468372 - 15.5594077318710 split increased to 2 itime 718593 + acceleration/energy drift too large 4.61027548702733 + 10.9599342316714 split increased to 2 itime 718501 itsplit 1 - acceleration/energy drift too large 4.83986965094157 - 31.7335707479747 split increased to 2 itime 718644 + acceleration/energy drift too large 13.8326975037328 + 80.5961181992777 split increased to 2 itime 718866 itsplit 1 - acceleration/energy drift too large 4.60428100568432 - 12.3794878497207 split increased to 2 itime 718651 - itsplit 1 - acceleration/energy drift too large 4.93959529730684 - 30.6105227357250 split increased to 2 itime 718829 + acceleration/energy drift too large 2.70131850529360 + 14.1293862190682 split increased to 4 itime 718866 itsplit 1 Momenta zeroed out, time 143799.80 - acceleration/energy drift too large 4.85107782474049 - 10.6554707337544 split increased to 2 itime 719324 - itsplit 1 - acceleration/energy drift too large 6.26802726007796 - 36.9632319787337 split increased to 2 itime 719420 + acceleration/energy drift too large 6.69453994222431 + 25.4769494970478 split increased to 2 itime 719362 itsplit 1 - acceleration/energy drift too large 13.1153370759413 - 68.5277256120504 split increased to 2 itime 719701 + acceleration/energy drift too large 5.29845726489483 + 16.1920705835610 split increased to 2 itime 719790 itsplit 1 - acceleration/energy drift too large 3.20797826718952 - 16.1963186937334 split increased to 4 itime 719701 - itsplit 2 Velocities reset to random values, time 143999.80 Momenta zeroed out, time 143999.80 - acceleration/energy drift too large 7.65861523397116 - 24.5773971794132 split increased to 2 itime 720829 - itsplit 1 - acceleration/energy drift too large 6.09738761971568 - 34.4895492271342 split increased to 2 itime 720920 - itsplit 1 - acceleration/energy drift too large 4.50736538611676 - 13.3152703696133 split increased to 2 itime 720939 + acceleration/energy drift too large 2.09905961758829 + 13.0708753601733 split increased to 2 itime 720086 itsplit 1 Momenta zeroed out, time 144199.80 + acceleration/energy drift too large 6.76520552964424 + 14.4045338479188 split increased to 2 itime 721496 + itsplit 1 Momenta zeroed out, time 144399.80 - acceleration/energy drift too large 9.83897772455235 - 39.6919389817299 split increased to 2 itime 722020 + acceleration/energy drift too large 9.75297051613519 + 38.7193265099523 split increased to 2 itime 722111 itsplit 1 Momenta zeroed out, time 144599.80 - acceleration/energy drift too large 3.63810455598583 - 10.2502664245818 split increased to 2 itime 723701 - itsplit 1 Momenta zeroed out, time 144799.80 - acceleration/energy drift too large 8.19557050454594 - 105.908433167492 split increased to 2 itime 724551 + acceleration/energy drift too large 3.17047830154844 + 23.1139188813637 split increased to 2 itime 724102 itsplit 1 - acceleration/energy drift too large 2.55936920835812 - 37.1834985728990 split increased to 4 itime 724551 +Momenta zeroed out, time 144999.80 + acceleration/energy drift too large 4.01457360799823 + 14.9733480971840 split increased to 2 itime 725240 itsplit 1 - acceleration/energy drift too large 3.79008748628079 - 16.0551519855668 split increased to 2 itime 724830 + acceleration/energy drift too large 6.51441275604738 + 16.7623560264153 split increased to 2 itime 725359 itsplit 1 -Momenta zeroed out, time 144999.80 - acceleration/energy drift too large 9.31142937127738 - 39.4031189206224 split increased to 2 itime 725828 + acceleration/energy drift too large 4.55087754770830 + 10.9171055460955 split increased to 2 itime 725432 itsplit 1 -Momenta zeroed out, time 145199.80 - acceleration/energy drift too large 5.01485400856957 - 17.7376069334575 split increased to 2 itime 726206 + acceleration/energy drift too large 8.01952476230202 + 33.1095570094527 split increased to 2 itime 725496 itsplit 1 +Momenta zeroed out, time 145199.80 Momenta zeroed out, time 145399.80 Momenta zeroed out, time 145599.80 - acceleration/energy drift too large 14.8199715706027 - 86.1847700988900 split increased to 2 itime 728081 + acceleration/energy drift too large 6.17954713749637 + 25.1842349996069 split increased to 2 itime 728205 itsplit 1 - acceleration/energy drift too large 12.7352109972966 - 109.340631260764 split increased to 2 itime 728210 +Momenta zeroed out, time 145799.80 + acceleration/energy drift too large 5.56543226807903 + 23.3600439615100 split increased to 2 itime 729212 itsplit 1 - acceleration/energy drift too large 6.44718401347045 - 46.9528414146666 split increased to 4 itime 728210 + acceleration/energy drift too large 6.27422228745794 + 25.8541934669280 split increased to 2 itime 729277 itsplit 1 -Momenta zeroed out, time 145799.80 - acceleration/energy drift too large 5.77768824941184 - 15.2235415033780 split increased to 2 itime 729083 + acceleration/energy drift too large 2.94077892158747 + 16.0268521631984 split increased to 2 itime 729688 itsplit 1 - acceleration/energy drift too large 4.80809542179306 - 12.0968145230611 split increased to 2 itime 729509 + acceleration/energy drift too large 2.56756850405991 + 10.2131902271036 split increased to 2 itime 729701 itsplit 1 - acceleration/energy drift too large 13.6730673719581 - 75.1832131992152 split increased to 2 itime 729783 + acceleration/energy drift too large 3.77328880522767 + 10.2465238451070 split increased to 2 itime 729986 itsplit 1 Velocities reset to random values, time 145999.80 Momenta zeroed out, time 145999.80 - acceleration/energy drift too large 5.70702938287531 - 21.0873955047354 split increased to 2 itime 730202 - itsplit 1 - acceleration/energy drift too large 6.45371935631121 - 19.4085029660738 split increased to 2 itime 730960 - itsplit 1 Momenta zeroed out, time 146199.80 - acceleration/energy drift too large 4.18995465152336 - 27.1907291045750 split increased to 2 itime 731465 - itsplit 1 - acceleration/energy drift too large 6.93680305735252 - 61.6124462149843 split increased to 2 itime 731541 - itsplit 1 - acceleration/energy drift too large 2.03980541594177 - 23.1886169655184 split increased to 4 itime 731541 - itsplit 1 Momenta zeroed out, time 146399.80 - acceleration/energy drift too large 4.05107084345167 - 12.0565292914102 split increased to 2 itime 732071 - itsplit 1 - acceleration/energy drift too large 1.67223264543405 - 11.1595083106907 split increased to 2 itime 732072 - itsplit 1 - acceleration/energy drift too large 2.65118857500666 - 16.7832429613346 split increased to 2 itime 732073 + acceleration/energy drift too large 5.53177996950414 + 31.2979837717514 split increased to 2 itime 732296 itsplit 1 Momenta zeroed out, time 146599.80 - acceleration/energy drift too large 2.31691838663078 - 10.9704675434770 split increased to 2 itime 733650 + acceleration/energy drift too large 1.64702006232996 + 13.4117330320039 split increased to 2 itime 733187 itsplit 1 - acceleration/energy drift too large 5.33548795043039 - 14.3631880286853 split increased to 2 itime 733923 - itsplit 1 -Momenta zeroed out, time 146799.80 - acceleration/energy drift too large 2.51045930401507 - 15.8272808269117 split increased to 2 itime 734540 + acceleration/energy drift too large 3.55422116687992 + 12.7443948592549 split increased to 2 itime 733338 itsplit 1 - acceleration/energy drift too large 5.87895107063051 - 13.1725628480974 split increased to 2 itime 734574 + acceleration/energy drift too large 9.88518737472474 + 59.6516482646729 split increased to 2 itime 733447 itsplit 1 - acceleration/energy drift too large 4.99595313160612 - 15.6346817486359 split increased to 2 itime 734863 +Momenta zeroed out, time 146799.80 + acceleration/energy drift too large 6.52907333312261 + 11.6654890441112 split increased to 2 itime 734723 itsplit 1 Momenta zeroed out, time 146999.80 - acceleration/energy drift too large 7.77550515912052 - 26.9524943789428 split increased to 2 itime 735603 - itsplit 1 Momenta zeroed out, time 147199.80 - acceleration/energy drift too large 4.68090175228858 - 27.8611231118818 split increased to 2 itime 736152 + acceleration/energy drift too large 14.1158048697172 + 81.5719405952423 split increased to 2 itime 736316 + itsplit 1 + acceleration/energy drift too large 2.94024574330880 + 15.8361787396732 split increased to 4 itime 736316 + itsplit 2 + acceleration/energy drift too large 10.6053727846576 + 43.6972172713272 split increased to 2 itime 736573 itsplit 1 Momenta zeroed out, time 147399.80 Momenta zeroed out, time 147599.80 - acceleration/energy drift too large 4.64412543204358 - 22.9440941187222 split increased to 2 itime 738454 - itsplit 1 - acceleration/energy drift too large 4.89299320464930 - 18.3499038352937 split increased to 2 itime 738490 - itsplit 1 - acceleration/energy drift too large 6.19326132204486 - 28.0497011120598 split increased to 2 itime 738529 - itsplit 1 - acceleration/energy drift too large 3.63887196571256 - 11.9851372391078 split increased to 2 itime 738970 - itsplit 1 Momenta zeroed out, time 147799.80 - acceleration/energy drift too large 3.92893699610709 - 10.8636557690991 split increased to 2 itime 739003 - itsplit 1 - acceleration/energy drift too large 8.61609262867526 - 26.8299976870884 split increased to 2 itime 739750 + acceleration/energy drift too large 7.27504188529984 + 19.1853143501106 split increased to 2 itime 739096 itsplit 1 Velocities reset to random values, time 147999.80 Momenta zeroed out, time 147999.80 - acceleration/energy drift too large 7.16750359206956 - 23.5873093820619 split increased to 2 itime 740049 - itsplit 1 - acceleration/energy drift too large 5.25412614226121 - 11.7746981899031 split increased to 2 itime 740882 - itsplit 1 - acceleration/energy drift too large 5.38175565565376 - 29.5604312645972 split increased to 2 itime 740969 + acceleration/energy drift too large 9.73064338483832 + 25.9686385968749 split increased to 2 itime 740713 itsplit 1 Momenta zeroed out, time 148199.80 -Momenta zeroed out, time 148399.80 - acceleration/energy drift too large 8.23380631046131 - 37.4345624110067 split increased to 2 itime 742206 + acceleration/energy drift too large 10.1539877616780 + 47.1583556466295 split increased to 2 itime 741203 itsplit 1 - acceleration/energy drift too large 12.8743964548733 - 73.9089502046970 split increased to 2 itime 742209 + acceleration/energy drift too large 3.97162454336719 + 10.6412115008429 split increased to 2 itime 741393 itsplit 1 -Momenta zeroed out, time 148599.80 - acceleration/energy drift too large 4.11425122349679 - 11.3611864708266 split increased to 2 itime 743384 - itsplit 1 - acceleration/energy drift too large 4.91067512038150 - 23.8945432368351 split increased to 2 itime 743617 + acceleration/energy drift too large 3.02096367293711 + 10.4324126759073 split increased to 2 itime 741946 itsplit 1 - acceleration/energy drift too large 5.04277884356246 - 17.5452581016269 split increased to 2 itime 743703 + acceleration/energy drift too large 3.21084593703818 + 10.5752371669238 split increased to 2 itime 741950 itsplit 1 - acceleration/energy drift too large 4.88133533514094 - 15.3751856950406 split increased to 2 itime 743902 + acceleration/energy drift too large 4.30260607027618 + 10.5350418612561 split increased to 2 itime 741958 itsplit 1 - acceleration/energy drift too large 6.36798768893676 - 18.7750080874622 split increased to 2 itime 743936 +Momenta zeroed out, time 148399.80 +Momenta zeroed out, time 148599.80 + acceleration/energy drift too large 5.22560038496262 + 12.1088902856687 split increased to 2 itime 743180 itsplit 1 Momenta zeroed out, time 148799.80 - acceleration/energy drift too large 5.61312614320269 - 18.3786632517630 split increased to 2 itime 744375 - itsplit 1 - acceleration/energy drift too large 7.08685679325115 - 19.6765171350606 split increased to 2 itime 744471 - itsplit 1 - acceleration/energy drift too large 4.80438240138515 - 11.4956417720005 split increased to 2 itime 744528 - itsplit 1 - acceleration/energy drift too large 4.28426021424241 - 19.6023392524215 split increased to 2 itime 744804 - itsplit 1 Momenta zeroed out, time 148999.80 - acceleration/energy drift too large 4.52858497611834 - 20.3447359943006 split increased to 2 itime 745264 - itsplit 1 - acceleration/energy drift too large 2.46139562963677 - 10.5470922658416 split increased to 2 itime 745351 - itsplit 1 - acceleration/energy drift too large 5.91760626896731 - 22.2733914936017 split increased to 2 itime 745375 - itsplit 1 - acceleration/energy drift too large 4.63583545652557 - 11.3987368153088 split increased to 2 itime 745530 - itsplit 1 - acceleration/energy drift too large 8.61409454080311 - 26.8865898640185 split increased to 2 itime 745567 - itsplit 1 - acceleration/energy drift too large 6.96463942899652 - 22.5087977363622 split increased to 2 itime 745619 - itsplit 1 - acceleration/energy drift too large 3.89715500320257 - 10.6490344773657 split increased to 2 itime 745974 + acceleration/energy drift too large 2.53242540694062 + 18.6113709484522 split increased to 2 itime 745672 itsplit 1 Momenta zeroed out, time 149199.80 - acceleration/energy drift too large 13.7872418527746 - 76.7675967591860 split increased to 2 itime 746096 - itsplit 1 - acceleration/energy drift too large 7.23347893650510 - 24.9733138109766 split increased to 2 itime 746401 - itsplit 1 - acceleration/energy drift too large 3.15188481401441 - 17.2330573707093 split increased to 2 itime 746402 - itsplit 1 - acceleration/energy drift too large 5.56174834961136 - 12.3216488698393 split increased to 2 itime 746964 + acceleration/energy drift too large 13.2212760777659 + 77.9240979783696 split increased to 2 itime 746963 itsplit 1 Momenta zeroed out, time 149399.80 - acceleration/energy drift too large 4.36860184477114 - 15.1834305155856 split increased to 2 itime 747094 + acceleration/energy drift too large 5.56588871579823 + 21.6284667697748 split increased to 2 itime 747072 itsplit 1 - acceleration/energy drift too large 6.41908219970362 - 35.7732282118557 split increased to 2 itime 747152 + acceleration/energy drift too large 5.67007561422588 + 13.8066611430557 split increased to 2 itime 747074 itsplit 1 - acceleration/energy drift too large 3.84239539524260 - 23.1215229188124 split increased to 2 itime 747153 + acceleration/energy drift too large 1.90125752072580 + 11.5219206706975 split increased to 2 itime 747292 itsplit 1 - acceleration/energy drift too large 4.31908900522371 - 13.3787241592581 split increased to 2 itime 747503 + acceleration/energy drift too large 4.85934107005562 + 16.9379369677984 split increased to 2 itime 747482 itsplit 1 Momenta zeroed out, time 149599.80 - acceleration/energy drift too large 5.25251081274293 - 17.0110298825303 split increased to 2 itime 748017 + acceleration/energy drift too large 4.21837628177463 + 12.2042782540660 split increased to 2 itime 748319 + itsplit 1 + acceleration/energy drift too large 5.64232210646725 + 15.9345808631343 split increased to 2 itime 748745 itsplit 1 - acceleration/energy drift too large 8.39198718446419 - 28.2454534445782 split increased to 2 itime 748953 + acceleration/energy drift too large 3.86983004498318 + 10.4141676639763 split increased to 2 itime 748819 + itsplit 1 + acceleration/energy drift too large 4.20548500851270 + 15.1670609923749 split increased to 2 itime 748869 itsplit 1 Momenta zeroed out, time 149799.80 - acceleration/energy drift too large 3.62918169840282 - 12.2295117731901 split increased to 2 itime 749571 + acceleration/energy drift too large 13.4650228129968 + 64.1379766556791 split increased to 2 itime 749348 + itsplit 1 + acceleration/energy drift too large 8.06789243510078 + 28.5204884319908 split increased to 2 itime 749351 itsplit 1 - acceleration/energy drift too large 3.52479399103521 - 10.4037668748461 split increased to 2 itime 749633 + acceleration/energy drift too large 6.59608708955549 + 15.1774623404012 split increased to 2 itime 749413 itsplit 1 Velocities reset to random values, time 149999.80 Momenta zeroed out, time 149999.80 - acceleration/energy drift too large 5.91929576788380 - 15.8038220793963 split increased to 2 itime 750373 + acceleration/energy drift too large 5.66675200470728 + 12.1539433964205 split increased to 2 itime 750761 + itsplit 1 + acceleration/energy drift too large 4.45767530626970 + 33.2260441877282 split increased to 2 itime 750965 itsplit 1 Momenta zeroed out, time 150199.80 - acceleration/energy drift too large 3.82836935711923 - 11.7887629764910 split increased to 2 itime 751136 + acceleration/energy drift too large 4.56298177898356 + 21.9295095767654 split increased to 2 itime 751349 itsplit 1 - acceleration/energy drift too large 11.2957328024116 - 157.080869309717 split increased to 2 itime 751801 + acceleration/energy drift too large 4.67706623902232 + 21.2232802653515 split increased to 2 itime 751556 itsplit 1 Momenta zeroed out, time 150399.80 - acceleration/energy drift too large 4.41694642591523 - 12.3811272216983 split increased to 2 itime 752724 - itsplit 1 Momenta zeroed out, time 150599.80 - acceleration/energy drift too large 5.94500841966020 - 14.5337008413344 split increased to 2 itime 753364 + acceleration/energy drift too large 8.50471954247914 + 21.7274359701332 split increased to 2 itime 753045 + itsplit 1 + acceleration/energy drift too large 3.41863788089243 + 10.2884006889273 split increased to 2 itime 753442 + itsplit 1 + acceleration/energy drift too large 4.89265982615630 + 19.6534598852760 split increased to 2 itime 753597 itsplit 1 - acceleration/energy drift too large 6.86891836963544 - 19.8867644748871 split increased to 2 itime 753644 + acceleration/energy drift too large 6.68034339528954 + 26.7347218145626 split increased to 2 itime 753667 itsplit 1 Momenta zeroed out, time 150799.80 + acceleration/energy drift too large 8.38218236378365 + 30.3073822741057 split increased to 2 itime 754877 + itsplit 1 Momenta zeroed out, time 150999.80 - acceleration/energy drift too large 3.97536887786799 - 10.6030842427117 split increased to 2 itime 755774 + acceleration/energy drift too large 2.51002850759863 + 15.9702337285461 split increased to 2 itime 755332 itsplit 1 - acceleration/energy drift too large 4.99985393350612 - 27.2996149908121 split increased to 2 itime 755775 + acceleration/energy drift too large 3.29020009359094 + 26.4136659306533 split increased to 2 itime 755974 itsplit 1 Momenta zeroed out, time 151199.80 - acceleration/energy drift too large 4.06676712218266 - 11.0497575518374 split increased to 2 itime 756131 - itsplit 1 - acceleration/energy drift too large 9.58842054034116 - 40.5892033729799 split increased to 2 itime 756737 - itsplit 1 - acceleration/energy drift too large 2.70745422274659 - 16.8978612660725 split increased to 2 itime 756752 + acceleration/energy drift too large 4.81304162580777 + 26.1958007811734 split increased to 2 itime 756416 itsplit 1 Momenta zeroed out, time 151399.80 - acceleration/energy drift too large 4.07148504378889 - 21.1677173680301 split increased to 2 itime 757713 + acceleration/energy drift too large 5.00105976450310 + 28.2229915114044 split increased to 2 itime 757137 itsplit 1 Momenta zeroed out, time 151599.80 + acceleration/energy drift too large 2.75108049213950 + 18.2099301521992 split increased to 2 itime 758104 + itsplit 1 Momenta zeroed out, time 151799.80 - acceleration/energy drift too large 3.72640283979234 - 18.1440524535434 split increased to 2 itime 759352 + acceleration/energy drift too large 4.45054777913584 + 22.6914009224227 split increased to 2 itime 759492 itsplit 1 - acceleration/energy drift too large 4.23379523818043 - 10.5156695775546 split increased to 2 itime 759866 + acceleration/energy drift too large 4.61625516249239 + 10.4130709805763 split increased to 2 itime 759561 itsplit 1 Velocities reset to random values, time 151999.80 Momenta zeroed out, time 151999.80 - acceleration/energy drift too large 4.43745575636765 - 20.2522837436152 split increased to 2 itime 760243 - itsplit 1 - acceleration/energy drift too large 3.68684121461640 - 12.2415065527538 split increased to 2 itime 760332 - itsplit 1 - acceleration/energy drift too large 2.12591066975735 - 11.1452372111940 split increased to 2 itime 760737 + acceleration/energy drift too large 9.40793582211668 + 28.0403389457897 split increased to 2 itime 760254 itsplit 1 Momenta zeroed out, time 152199.80 - acceleration/energy drift too large 2.21720948854865 - 11.0483605766867 split increased to 2 itime 761364 +Momenta zeroed out, time 152399.80 + acceleration/energy drift too large 7.25696057161621 + 23.0203462500498 split increased to 2 itime 762412 itsplit 1 - acceleration/energy drift too large 5.32443326017421 - 39.4649362236342 split increased to 2 itime 761748 + acceleration/energy drift too large 12.2463118827581 + 62.5438109636398 split increased to 2 itime 762761 itsplit 1 -Momenta zeroed out, time 152399.80 Momenta zeroed out, time 152599.80 - acceleration/energy drift too large 8.27273835710444 - 20.3847870868061 split increased to 2 itime 763180 + acceleration/energy drift too large 6.46164580879209 + 41.9637043653060 split increased to 2 itime 763173 itsplit 1 - acceleration/energy drift too large 7.38079097969003 - 47.9124357806189 split increased to 2 itime 763276 + acceleration/energy drift too large 6.01309703936908 + 11.7829657133555 split increased to 2 itime 763763 itsplit 1 - acceleration/energy drift too large 2.12183305162151 - 12.0814028162060 split increased to 4 itime 763276 - itsplit 2 Momenta zeroed out, time 152799.80 -Momenta zeroed out, time 152999.80 - acceleration/energy drift too large 10.8693513045012 - 56.2560538348568 split increased to 2 itime 765153 + acceleration/energy drift too large 9.82753622517454 + 45.9890178735568 split increased to 2 itime 764119 itsplit 1 - acceleration/energy drift too large 9.55683533039788 - 40.9904323866667 split increased to 2 itime 765980 + acceleration/energy drift too large 4.86226472050926 + 13.0408137749400 split increased to 2 itime 764792 itsplit 1 - acceleration/energy drift too large 2.44708918584293 - 12.3044754869679 split increased to 4 itime 765980 - itsplit 2 -Momenta zeroed out, time 153199.80 - acceleration/energy drift too large 13.4930614380205 - 79.2050539357689 split increased to 2 itime 766275 + acceleration/energy drift too large 9.96993262575936 + 49.4415058687449 split increased to 2 itime 764966 itsplit 1 - acceleration/energy drift too large 5.14560541941691 - 23.3738899164092 split increased to 2 itime 766434 + acceleration/energy drift too large 2.70313282214599 + 16.2310502483679 split increased to 4 itime 764966 itsplit 1 - acceleration/energy drift too large 4.52426434933193 - 16.4405557576629 split increased to 2 itime 766618 +Momenta zeroed out, time 152999.80 + acceleration/energy drift too large 6.18538757376213 + 12.0749097675567 split increased to 2 itime 765471 itsplit 1 - acceleration/energy drift too large 4.62464849234562 - 11.4928850563106 split increased to 2 itime 766881 + acceleration/energy drift too large 5.13046426962639 + 10.7265926070269 split increased to 2 itime 765524 itsplit 1 -Momenta zeroed out, time 153399.80 - acceleration/energy drift too large 5.43370772077930 - 10.9572370856188 split increased to 2 itime 767182 +Momenta zeroed out, time 153199.80 + acceleration/energy drift too large 3.36471475875024 + 12.7009282909645 split increased to 2 itime 766573 + itsplit 1 + acceleration/energy drift too large 3.36372181350729 + 11.1138281534930 split increased to 2 itime 766745 itsplit 1 - acceleration/energy drift too large 4.93554842622668 - 12.7281946018132 split increased to 2 itime 767746 +Momenta zeroed out, time 153399.80 + acceleration/energy drift too large 3.66633552971181 + 11.7499559016252 split increased to 2 itime 767290 itsplit 1 Momenta zeroed out, time 153599.80 - acceleration/energy drift too large 3.99233477870770 - 11.2400966146710 split increased to 2 itime 768354 + acceleration/energy drift too large 6.44810754016844 + 15.5862606141800 split increased to 2 itime 768003 itsplit 1 Momenta zeroed out, time 153799.80 - acceleration/energy drift too large 8.36992772800971 - 25.7920731761059 split increased to 2 itime 769198 - itsplit 1 - acceleration/energy drift too large 7.88714191098254 - 29.0190292295756 split increased to 2 itime 769321 + acceleration/energy drift too large 5.26808394936617 + 27.6002764274489 split increased to 2 itime 769787 itsplit 1 Velocities reset to random values, time 153999.80 Momenta zeroed out, time 153999.80 - acceleration/energy drift too large 5.41419364047255 - 30.6574441153767 split increased to 2 itime 770534 + acceleration/energy drift too large 5.09028620819456 + 13.3774516121513 split increased to 2 itime 770233 + itsplit 1 + acceleration/energy drift too large 2.99680080907345 + 21.9065400770450 split increased to 2 itime 770949 itsplit 1 Momenta zeroed out, time 154199.80 -Momenta zeroed out, time 154399.80 - acceleration/energy drift too large 5.73169633619021 - 37.8912951657683 split increased to 2 itime 772498 + acceleration/energy drift too large 2.17050442231148 + 17.9397291361200 split increased to 2 itime 771353 itsplit 1 - acceleration/energy drift too large 4.09835041406864 - 10.1872114601875 split increased to 2 itime 772584 + acceleration/energy drift too large 4.25880625393850 + 16.1210871061020 split increased to 2 itime 771654 itsplit 1 - acceleration/energy drift too large 7.26555296881274 - 26.6307189941150 split increased to 2 itime 772756 + acceleration/energy drift too large 12.6867564003362 + 78.4366736067191 split increased to 2 itime 771768 itsplit 1 - acceleration/energy drift too large 6.68883969127992 - 17.2783637945710 split increased to 2 itime 772759 + acceleration/energy drift too large 2.80021337739544 + 16.1918925226084 split increased to 4 itime 771768 + itsplit 2 +Momenta zeroed out, time 154399.80 + acceleration/energy drift too large 2.58694663248901 + 12.4990392096133 split increased to 2 itime 772352 itsplit 1 Momenta zeroed out, time 154599.80 - acceleration/energy drift too large 10.2354322428916 - 66.1871647653734 split increased to 2 itime 773882 + acceleration/energy drift too large 9.90548732731812 + 32.6848781774411 split increased to 2 itime 773148 itsplit 1 - acceleration/energy drift too large 2.63881141204044 - 16.5366123634260 split increased to 4 itime 773882 - itsplit 2 -Momenta zeroed out, time 154799.80 - acceleration/energy drift too large 8.07466956318800 - 25.6383462829534 split increased to 2 itime 774299 + acceleration/energy drift too large 6.05787726298236 + 16.5200157946179 split increased to 2 itime 773330 itsplit 1 - acceleration/energy drift too large 4.06966095281806 - 12.9932579027227 split increased to 2 itime 774875 + acceleration/energy drift too large 6.61504542536745 + 29.4278729084643 split increased to 2 itime 773734 itsplit 1 - acceleration/energy drift too large 3.84353822761880 - 14.0376000123784 split increased to 2 itime 774981 +Momenta zeroed out, time 154799.80 + acceleration/energy drift too large 5.90559056158753 + 15.7967799269652 split increased to 2 itime 774976 itsplit 1 Momenta zeroed out, time 154999.80 + acceleration/energy drift too large 6.30115655008383 + 17.0448034339324 split increased to 2 itime 775532 + itsplit 1 Momenta zeroed out, time 155199.80 - acceleration/energy drift too large 4.18755891640865 - 10.5044638147130 split increased to 2 itime 776164 + acceleration/energy drift too large 4.73426844791234 + 10.6215115309673 split increased to 2 itime 776205 itsplit 1 - acceleration/energy drift too large 3.89524025355867 - 12.3188941900152 split increased to 2 itime 776606 + acceleration/energy drift too large 4.02799073898047 + 10.4209876541730 split increased to 2 itime 776386 itsplit 1 - acceleration/energy drift too large 7.45754294126036 - 49.6522566288501 split increased to 2 itime 776876 + acceleration/energy drift too large 5.43832787746219 + 13.1714745176015 split increased to 2 itime 776498 itsplit 1 Momenta zeroed out, time 155399.80 - acceleration/energy drift too large 6.22003651047863 - 12.4866038395276 split increased to 2 itime 777161 - itsplit 1 - acceleration/energy drift too large 2.33461702059988 - 15.0084314470639 split increased to 2 itime 777164 - itsplit 1 - acceleration/energy drift too large 2.65612213190366 - 13.0611467639858 split increased to 2 itime 777229 + acceleration/energy drift too large 6.62501222224175 + 14.5315572470371 split increased to 2 itime 777361 itsplit 1 - acceleration/energy drift too large 4.77858277836209 - 12.3435277649479 split increased to 2 itime 777230 + acceleration/energy drift too large 23.1474338179434 + 176.795470687339 split increased to 2 itime 777558 itsplit 1 - acceleration/energy drift too large 3.19773750701474 - 16.8671080309768 split increased to 2 itime 777618 + acceleration/energy drift too large 5.18629121728761 + 36.9033668860046 split increased to 4 itime 777558 + itsplit 2 + acceleration/energy drift too large 14.4844637746118 + 103.230071363969 split increased to 2 itime 777742 itsplit 1 + acceleration/energy drift too large 2.36033732594839 + 10.6159081688317 split increased to 4 itime 777742 + itsplit 2 Momenta zeroed out, time 155599.80 - acceleration/energy drift too large 6.28508193602837 - 19.8655546288503 split increased to 2 itime 778799 + acceleration/energy drift too large 9.10958393126323 + 29.2260144776208 split increased to 2 itime 778634 itsplit 1 Momenta zeroed out, time 155799.80 - acceleration/energy drift too large 4.66894315616054 - 15.1620806289613 split increased to 2 itime 779010 +Velocities reset to random values, time 155999.80 +Momenta zeroed out, time 155999.80 + acceleration/energy drift too large 7.49782316952924 + 11.5083098479619 split increased to 2 itime 780190 itsplit 1 - acceleration/energy drift too large 6.77867416852493 - 12.7563994836749 split increased to 2 itime 779027 + acceleration/energy drift too large 7.50202238747982 + 57.8941648977965 split increased to 2 itime 780271 itsplit 1 - acceleration/energy drift too large 7.63095301061779 - 37.2248330793258 split increased to 2 itime 779039 + acceleration/energy drift too large 8.00111768297781 + 78.8746587092010 split increased to 2 itime 780717 itsplit 1 -Velocities reset to random values, time 155999.80 -Momenta zeroed out, time 155999.80 Momenta zeroed out, time 156199.80 - acceleration/energy drift too large 7.11385458345615 - 24.4662427607034 split increased to 2 itime 781030 + acceleration/energy drift too large 10.9788330241016 + 59.9124161865195 split increased to 2 itime 781428 itsplit 1 Momenta zeroed out, time 156399.80 - acceleration/energy drift too large 6.43732236394176 - 26.2644755304180 split increased to 2 itime 782275 + acceleration/energy drift too large 2.90760086346897 + 11.9429828322141 split increased to 2 itime 782682 itsplit 1 - acceleration/energy drift too large 5.64856548361005 - 19.9873646235749 split increased to 2 itime 782353 + acceleration/energy drift too large 14.3829788353601 + 81.2240626592841 split increased to 2 itime 782878 itsplit 1 Momenta zeroed out, time 156599.80 - acceleration/energy drift too large 3.73954360914598 - 17.4245693696133 split increased to 2 itime 783438 - itsplit 1 Momenta zeroed out, time 156799.80 - acceleration/energy drift too large 3.70017640401973 - 19.8321430557860 split increased to 2 itime 784219 + acceleration/energy drift too large 3.34743078695245 + 11.6580221125608 split increased to 2 itime 784093 itsplit 1 Momenta zeroed out, time 156999.80 - acceleration/energy drift too large 3.63200493750097 - 11.5998441381612 split increased to 2 itime 785210 + acceleration/energy drift too large 5.37780187995538 + 10.9107441210775 split increased to 2 itime 785307 itsplit 1 -Momenta zeroed out, time 157199.80 - acceleration/energy drift too large 2.99480407840255 - 21.3738283594533 split increased to 2 itime 786094 + acceleration/energy drift too large 10.6538684367301 + 63.2167550961632 split increased to 2 itime 785720 itsplit 1 - acceleration/energy drift too large 4.43140095422074 - 10.4981700074467 split increased to 2 itime 786125 + acceleration/energy drift too large 7.36547455180136 + 11.2494341636175 split increased to 2 itime 785824 itsplit 1 -Momenta zeroed out, time 157399.80 - acceleration/energy drift too large 5.52624311577576 - 14.8037364617501 split increased to 2 itime 787437 +Momenta zeroed out, time 157199.80 + acceleration/energy drift too large 2.39868749274359 + 14.6103259942075 split increased to 2 itime 786841 itsplit 1 - acceleration/energy drift too large 11.3575392135823 - 68.9866569813206 split increased to 2 itime 787523 +Momenta zeroed out, time 157399.80 + acceleration/energy drift too large 4.58691002768137 + 23.1255995719276 split increased to 2 itime 787734 itsplit 1 Momenta zeroed out, time 157599.80 - acceleration/energy drift too large 3.33802365338520 - 20.4557167459332 split increased to 2 itime 788090 - itsplit 1 - acceleration/energy drift too large 4.20924913224089 - 20.9453274392381 split increased to 2 itime 788163 + acceleration/energy drift too large 2.88159476081863 + 11.4177045340060 split increased to 2 itime 788192 itsplit 1 - acceleration/energy drift too large 5.59783886605427 - 19.4232346585682 split increased to 2 itime 788979 + acceleration/energy drift too large 6.84473909415979 + 47.3743100923959 split increased to 2 itime 788688 itsplit 1 Momenta zeroed out, time 157799.80 - acceleration/energy drift too large 2.31992830953655 - 10.1225657648253 split increased to 2 itime 789110 + acceleration/energy drift too large 5.42668729037821 + 23.4275223720211 split increased to 2 itime 789642 itsplit 1 - acceleration/energy drift too large 5.84380298625598 - 18.3198109680826 split increased to 2 itime 789166 - itsplit 1 - acceleration/energy drift too large 6.29015805338393 - 17.4767189251805 split increased to 2 itime 789634 + acceleration/energy drift too large 3.20392837891491 + 13.7859348589903 split increased to 2 itime 789870 itsplit 1 Velocities reset to random values, time 157999.80 Momenta zeroed out, time 157999.80 - acceleration/energy drift too large 6.11613722238190 - 20.5622068408533 split increased to 2 itime 790509 - itsplit 1 - acceleration/energy drift too large 5.11980136780740 - 15.1363235142032 split increased to 2 itime 790794 - itsplit 1 Momenta zeroed out, time 158199.80 - acceleration/energy drift too large 6.23175651875879 - 22.9453609398341 split increased to 2 itime 791325 - itsplit 1 - acceleration/energy drift too large 14.1368837416799 - 85.9549359899397 split increased to 2 itime 791411 - itsplit 1 - acceleration/energy drift too large 4.94686915249666 - 29.6578129141038 split increased to 2 itime 791622 + acceleration/energy drift too large 5.78023860596863 + 27.5499407774188 split increased to 2 itime 791094 itsplit 1 Momenta zeroed out, time 158399.80 - acceleration/energy drift too large 4.40713505385090 - 12.5629226604293 split increased to 2 itime 792059 + acceleration/energy drift too large 5.59105555791755 + 31.5852008608077 split increased to 2 itime 792820 itsplit 1 - acceleration/energy drift too large 4.11989092356571 - 27.3524088324533 split increased to 2 itime 792081 +Momenta zeroed out, time 158599.80 + acceleration/energy drift too large 3.98923386477377 + 12.3464752587049 split increased to 2 itime 793101 itsplit 1 - acceleration/energy drift too large 3.67464326063823 - 14.6877582299733 split increased to 2 itime 792767 + acceleration/energy drift too large 5.21970287415688 + 18.4546788696256 split increased to 2 itime 793589 itsplit 1 -Momenta zeroed out, time 158599.80 Momenta zeroed out, time 158799.80 Momenta zeroed out, time 158999.80 - acceleration/energy drift too large 6.65919450130075 - 13.8824020762997 split increased to 2 itime 795241 - itsplit 1 - acceleration/energy drift too large 2.96936553118169 - 11.5233243910643 split increased to 2 itime 795242 + acceleration/energy drift too large 2.92368866342002 + 16.7891569287836 split increased to 2 itime 795175 itsplit 1 - acceleration/energy drift too large 3.94725930507192 - 17.5773075497164 split increased to 2 itime 795640 + acceleration/energy drift too large 2.70460568772061 + 16.9504003572787 split increased to 2 itime 795656 itsplit 1 Momenta zeroed out, time 159199.80 - acceleration/energy drift too large 4.27097253103382 - 11.6876324056609 split increased to 2 itime 796851 + acceleration/energy drift too large 3.83554392741012 + 13.1904036097309 split increased to 2 itime 796341 itsplit 1 Momenta zeroed out, time 159399.80 - acceleration/energy drift too large 6.27899280044599 - 56.1022023327461 split increased to 2 itime 797213 + acceleration/energy drift too large 5.75433999821176 + 33.4570619328371 split increased to 2 itime 797156 itsplit 1 - acceleration/energy drift too large 1.73600477670574 - 12.6288943657277 split increased to 4 itime 797213 + acceleration/energy drift too large 10.1850963391797 + 49.1363074360221 split increased to 2 itime 797487 itsplit 1 - acceleration/energy drift too large 4.31888569405601 - 35.1772175746752 split increased to 2 itime 797437 - itsplit 1 - acceleration/energy drift too large 5.64591634787720 - 34.9647501818004 split increased to 2 itime 797532 - itsplit 1 - acceleration/energy drift too large 3.74830775083842 - 13.5524548707038 split increased to 2 itime 797907 + acceleration/energy drift too large 3.21197442318186 + 12.3104923637418 split increased to 2 itime 797781 itsplit 1 Momenta zeroed out, time 159599.80 - acceleration/energy drift too large 3.63478380307034 - 14.8841548374253 split increased to 2 itime 798952 + acceleration/energy drift too large 14.0112372034012 + 73.6659825756384 split increased to 2 itime 798663 itsplit 1 Momenta zeroed out, time 159799.80 - acceleration/energy drift too large 4.22593791790594 - 15.8767500732928 split increased to 2 itime 799569 - itsplit 1 - acceleration/energy drift too large 6.18285534301960 - 15.8793000149032 split increased to 2 itime 799863 + acceleration/energy drift too large 3.15476220591071 + 10.9889605892680 split increased to 2 itime 799359 itsplit 1 Velocities reset to random values, time 159999.80 Momenta zeroed out, time 159999.80 - acceleration/energy drift too large 4.71775455049474 - 19.5074095468666 split increased to 2 itime 800988 + acceleration/energy drift too large 7.86887942098515 + 20.8590142794835 split increased to 2 itime 800502 + itsplit 1 + acceleration/energy drift too large 3.21443489059330 + 11.4107595612210 split increased to 2 itime 800556 itsplit 1 Momenta zeroed out, time 160199.80 - acceleration/energy drift too large 10.6156538198342 - 50.7339592800407 split increased to 2 itime 801121 + acceleration/energy drift too large 4.60058610650197 + 28.2155806943401 split increased to 2 itime 801000 itsplit 1 - acceleration/energy drift too large 5.66089733184668 - 32.2952068577844 split increased to 2 itime 801252 + acceleration/energy drift too large 5.30585064429258 + 22.5925525231088 split increased to 2 itime 801052 + itsplit 1 + acceleration/energy drift too large 4.34423183390526 + 10.5578070065218 split increased to 2 itime 801448 + itsplit 1 + acceleration/energy drift too large 3.92145802582941 + 18.9079648480864 split increased to 2 itime 801463 itsplit 1 Momenta zeroed out, time 160399.80 Momenta zeroed out, time 160599.80 - acceleration/energy drift too large 2.96012298583034 - 16.4364886273921 split increased to 2 itime 803866 + acceleration/energy drift too large 2.99444150434728 + 10.0835216015081 split increased to 2 itime 803692 itsplit 1 Momenta zeroed out, time 160799.80 - acceleration/energy drift too large 5.16206135641625 - 23.9914523560448 split increased to 2 itime 804291 +Momenta zeroed out, time 160999.80 + acceleration/energy drift too large 4.63596204591129 + 14.8457800928185 split increased to 2 itime 805094 itsplit 1 - acceleration/energy drift too large 4.50735161352919 - 20.3229187425659 split increased to 2 itime 804478 + acceleration/energy drift too large 4.39557118690940 + 31.2161739928434 split increased to 2 itime 805328 itsplit 1 - acceleration/energy drift too large 11.4595991259973 - 69.6378070130763 split increased to 2 itime 804528 + acceleration/energy drift too large 1.50026159455261 + 10.8318868251918 split increased to 4 itime 805328 itsplit 1 - acceleration/energy drift too large 6.22892325713123 - 12.0051110073631 split increased to 2 itime 804676 + acceleration/energy drift too large 4.59788052420130 + 21.5599380814081 split increased to 2 itime 805481 itsplit 1 -Momenta zeroed out, time 160999.80 - acceleration/energy drift too large 4.52195343198107 - 23.2291809205988 split increased to 2 itime 805156 + acceleration/energy drift too large 3.02797342723785 + 16.4699798117237 split increased to 2 itime 805588 itsplit 1 -Momenta zeroed out, time 161199.80 - acceleration/energy drift too large 5.27189292504923 - 16.5186980838801 split increased to 2 itime 806154 + acceleration/energy drift too large 4.91999628907966 + 23.8603520823236 split increased to 2 itime 805664 + itsplit 1 + acceleration/energy drift too large 3.67878535468902 + 12.7390865075365 split increased to 2 itime 805665 itsplit 1 - acceleration/energy drift too large 5.83206480731131 - 14.9450517167715 split increased to 2 itime 806226 + acceleration/energy drift too large 12.4328220803872 + 55.7986528216091 split increased to 2 itime 805940 itsplit 1 - acceleration/energy drift too large 5.63490364247075 - 15.3083355734305 split increased to 2 itime 806464 +Momenta zeroed out, time 161199.80 + acceleration/energy drift too large 5.09213031801331 + 12.9940870624333 split increased to 2 itime 806254 itsplit 1 - acceleration/energy drift too large 3.32055858455693 - 19.9684495061644 split increased to 2 itime 806854 + acceleration/energy drift too large 4.55762315395630 + 12.6245561502497 split increased to 2 itime 806621 itsplit 1 Momenta zeroed out, time 161399.80 - acceleration/energy drift too large 5.52590322915816 - 17.5565628781237 split increased to 2 itime 807557 - itsplit 1 - acceleration/energy drift too large 6.53828771692825 - 28.7083716801240 split increased to 2 itime 807718 + acceleration/energy drift too large 10.5373673467856 + 41.5828682521020 split increased to 2 itime 807081 itsplit 1 - acceleration/energy drift too large 4.93493302551084 - 17.1283124310871 split increased to 2 itime 807967 + acceleration/energy drift too large 2.58053183280129 + 13.1695080666609 split increased to 4 itime 807081 itsplit 1 Momenta zeroed out, time 161599.80 - acceleration/energy drift too large 5.96737855920206 - 24.8697905351168 split increased to 2 itime 808264 + acceleration/energy drift too large 3.97554797477305 + 13.2547635842961 split increased to 2 itime 808062 itsplit 1 -Momenta zeroed out, time 161799.80 - acceleration/energy drift too large 4.98694767205874 - 12.8395775308915 split increased to 2 itime 809297 + acceleration/energy drift too large 5.73831907888951 + 36.2153073759049 split increased to 2 itime 808094 itsplit 1 - acceleration/energy drift too large 5.56324764443825 - 21.0549807296066 split increased to 2 itime 809619 +Momenta zeroed out, time 161799.80 + acceleration/energy drift too large 3.83068324051349 + 16.1483320424754 split increased to 2 itime 809464 itsplit 1 - acceleration/energy drift too large 3.48171200157738 - 16.5081191081208 split increased to 2 itime 809620 + acceleration/energy drift too large 4.33257951396851 + 11.3259528631109 split increased to 2 itime 809483 itsplit 1 - acceleration/energy drift too large 3.62679015251489 - 12.7848060094094 split increased to 2 itime 809983 + acceleration/energy drift too large 4.00440714364786 + 21.6134929138333 split increased to 2 itime 809817 itsplit 1 Velocities reset to random values, time 161999.80 Momenta zeroed out, time 161999.80 Momenta zeroed out, time 162199.80 - acceleration/energy drift too large 7.38417208629302 - 25.0209048304246 split increased to 2 itime 811201 + acceleration/energy drift too large 4.32582560715392 + 21.6544679991055 split increased to 2 itime 811268 + itsplit 1 + acceleration/energy drift too large 4.57189333205556 + 13.9862270037614 split increased to 2 itime 811823 itsplit 1 Momenta zeroed out, time 162399.80 - acceleration/energy drift too large 8.87461549370728 - 35.3840890104276 split increased to 2 itime 812038 + acceleration/energy drift too large 1.86482437940325 + 11.7446737464338 split increased to 2 itime 812309 itsplit 1 - acceleration/energy drift too large 4.34925694554111 - 12.2865687938253 split increased to 2 itime 812563 + acceleration/energy drift too large 4.77577362702222 + 11.3649687787184 split increased to 2 itime 812495 itsplit 1 Momenta zeroed out, time 162599.80 + acceleration/energy drift too large 5.71736636300502 + 21.7947439812772 split increased to 2 itime 813546 + itsplit 1 Momenta zeroed out, time 162799.80 - acceleration/energy drift too large 6.39754980199957 - 15.4632371845712 split increased to 2 itime 814312 + acceleration/energy drift too large 9.46047033412710 + 38.7590544836999 split increased to 2 itime 814791 itsplit 1 Momenta zeroed out, time 162999.80 - acceleration/energy drift too large 7.48493482571405 - 21.3417382160384 split increased to 2 itime 815083 - itsplit 1 - acceleration/energy drift too large 8.25687492908450 - 29.3547931940612 split increased to 2 itime 815086 - itsplit 1 - acceleration/energy drift too large 9.85673700910837 - 46.2397065166588 split increased to 2 itime 815928 - itsplit 1 Momenta zeroed out, time 163199.80 - acceleration/energy drift too large 5.92877970173983 - 13.3014700654797 split increased to 2 itime 816476 - itsplit 1 Momenta zeroed out, time 163399.80 - acceleration/energy drift too large 2.79197539158891 - 10.5048566900223 split increased to 2 itime 817277 + acceleration/energy drift too large 6.99643173976311 + 32.8049430266045 split increased to 2 itime 817198 itsplit 1 - acceleration/energy drift too large 5.25497177947831 - 10.9729217002660 split increased to 2 itime 817943 + acceleration/energy drift too large 3.98344625271125 + 10.5769695542133 split increased to 2 itime 817688 + itsplit 1 + acceleration/energy drift too large 6.73245601453723 + 33.8197682393222 split increased to 2 itime 817743 itsplit 1 Momenta zeroed out, time 163599.80 Momenta zeroed out, time 163799.80 - acceleration/energy drift too large 3.63727797019509 - 10.5979056642070 split increased to 2 itime 819226 - itsplit 1 - acceleration/energy drift too large 5.56456800126605 - 25.4432305909282 split increased to 2 itime 819858 - itsplit 1 - acceleration/energy drift too large 4.08659584297085 - 14.6172570165885 split increased to 2 itime 819862 - itsplit 1 - acceleration/energy drift too large 4.95369974678146 - 28.8860835582624 split increased to 2 itime 819993 + acceleration/energy drift too large 10.1963005710399 + 44.5486055393841 split increased to 2 itime 819680 itsplit 1 Velocities reset to random values, time 163999.80 Momenta zeroed out, time 163999.80 - acceleration/energy drift too large 2.72867170163836 - 19.5593710808686 split increased to 2 itime 820500 + acceleration/energy drift too large 11.3976922733608 + 80.7524957262300 split increased to 2 itime 820076 itsplit 1 Momenta zeroed out, time 164199.80 - acceleration/energy drift too large 4.51032483434318 - 11.6700979551673 split increased to 2 itime 821241 +Momenta zeroed out, time 164399.80 +Momenta zeroed out, time 164599.80 + acceleration/energy drift too large 5.77692549519424 + 12.7277460041881 split increased to 2 itime 823086 itsplit 1 - acceleration/energy drift too large 7.44406583450293 - 16.9390817253057 split increased to 2 itime 821561 + acceleration/energy drift too large 2.42574414941316 + 13.8698180418412 split increased to 2 itime 823439 itsplit 1 -Momenta zeroed out, time 164399.80 - acceleration/energy drift too large 4.93150519585754 - 12.2804074266059 split increased to 2 itime 822776 + acceleration/energy drift too large 4.02332940435767 + 12.1548961804278 split increased to 2 itime 823448 itsplit 1 -Momenta zeroed out, time 164599.80 - acceleration/energy drift too large 7.45777613258647 - 22.6512394186233 split increased to 2 itime 823764 + acceleration/energy drift too large 6.34279554444812 + 22.4671598568016 split increased to 2 itime 823744 itsplit 1 Momenta zeroed out, time 164799.80 - acceleration/energy drift too large 8.50528857036414 - 33.2096041993443 split increased to 2 itime 824871 + acceleration/energy drift too large 5.96977136773466 + 11.1644405196839 split increased to 2 itime 824108 itsplit 1 -Momenta zeroed out, time 164999.80 - acceleration/energy drift too large 4.46036758275941 - 22.1108086434696 split increased to 2 itime 825139 - itsplit 1 - acceleration/energy drift too large 4.62559302073004 - 17.3351514637619 split increased to 2 itime 825142 + acceleration/energy drift too large 3.76843924635095 + 18.9309957188835 split increased to 2 itime 824409 itsplit 1 - acceleration/energy drift too large 3.38344044145757 - 14.0536249341936 split increased to 2 itime 825488 + acceleration/energy drift too large 5.11048133772878 + 14.9542611297888 split increased to 2 itime 824643 itsplit 1 +Momenta zeroed out, time 164999.80 Momenta zeroed out, time 165199.80 - acceleration/energy drift too large 2.72449621131759 - 18.8614217535786 split increased to 2 itime 826117 +Momenta zeroed out, time 165399.80 + acceleration/energy drift too large 2.39076267896516 + 17.0138452820410 split increased to 2 itime 827289 itsplit 1 - acceleration/energy drift too large 6.92272902517750 - 31.5908630449474 split increased to 2 itime 826725 + acceleration/energy drift too large 5.19930526498559 + 20.0665682894268 split increased to 2 itime 827665 itsplit 1 - acceleration/energy drift too large 7.42886984320329 - 16.0324461576647 split increased to 2 itime 826922 +Momenta zeroed out, time 165599.80 + acceleration/energy drift too large 5.96030112158678 + 33.6715144357686 split increased to 2 itime 828687 itsplit 1 -Momenta zeroed out, time 165399.80 - acceleration/energy drift too large 6.54948308193317 - 13.4709388885112 split increased to 2 itime 827937 + acceleration/energy drift too large 2.24184870108262 + 17.6890115204438 split increased to 2 itime 828796 itsplit 1 -Momenta zeroed out, time 165599.80 Momenta zeroed out, time 165799.80 - acceleration/energy drift too large 5.11093720051727 - 12.5778599502065 split increased to 2 itime 829483 + acceleration/energy drift too large 5.75828439050359 + 12.8837750075740 split increased to 2 itime 829257 + itsplit 1 + acceleration/energy drift too large 5.34404042197218 + 31.0122898068782 split increased to 2 itime 829477 itsplit 1 Velocities reset to random values, time 165999.80 Momenta zeroed out, time 165999.80 - acceleration/energy drift too large 18.2413751064581 - 141.543682530614 split increased to 2 itime 830020 - itsplit 1 - acceleration/energy drift too large 4.16843080794707 - 26.7839141524659 split increased to 4 itime 830020 - itsplit 1 - acceleration/energy drift too large 3.09804156800109 - 10.8876233911508 split increased to 2 itime 830369 + acceleration/energy drift too large 3.29319512866440 + 11.5485196968383 split increased to 2 itime 830797 itsplit 1 Momenta zeroed out, time 166199.80 - acceleration/energy drift too large 5.81632216928130 - 15.5321987367347 split increased to 2 itime 831414 - itsplit 1 - acceleration/energy drift too large 6.78893630223498 - 43.1317549267327 split increased to 2 itime 831566 + acceleration/energy drift too large 6.91760454855818 + 19.8524904331991 split increased to 2 itime 831175 itsplit 1 Momenta zeroed out, time 166399.80 - acceleration/energy drift too large 8.18144584658691 - 31.7684698155418 split increased to 2 itime 832999 + acceleration/energy drift too large 4.45847602667800 + 19.8115556447404 split increased to 2 itime 832601 itsplit 1 Momenta zeroed out, time 166599.80 - acceleration/energy drift too large 4.67441857516059 - 22.5063035529308 split increased to 2 itime 833726 + acceleration/energy drift too large 4.86981808062979 + 13.5078602820274 split increased to 2 itime 833127 itsplit 1 Momenta zeroed out, time 166799.80 - acceleration/energy drift too large 6.40875508290214 - 23.7681040654192 split increased to 2 itime 834154 + acceleration/energy drift too large 9.53829661609005 + 43.8539799799230 split increased to 2 itime 834453 itsplit 1 Momenta zeroed out, time 166999.80 - acceleration/energy drift too large 2.92890637657636 - 13.3332520631093 split increased to 2 itime 835024 + acceleration/energy drift too large 2.67442493521942 + 11.6257975612007 split increased to 2 itime 835226 itsplit 1 - acceleration/energy drift too large 4.47990860876834 - 11.1082137826800 split increased to 2 itime 835441 + acceleration/energy drift too large 3.44929865373647 + 16.3087530168662 split increased to 2 itime 835963 itsplit 1 Momenta zeroed out, time 167199.80 Momenta zeroed out, time 167399.80 - acceleration/energy drift too large 6.06316895603555 - 13.7154948830406 split increased to 2 itime 837197 + acceleration/energy drift too large 5.49832766325151 + 16.4079968725334 split increased to 2 itime 837080 itsplit 1 - acceleration/energy drift too large 5.53887858504173 - 38.4901476652207 split increased to 2 itime 837304 + acceleration/energy drift too large 4.19185319199135 + 12.4348221824679 split increased to 2 itime 837287 itsplit 1 - acceleration/energy drift too large 1.14841893847967 - 12.6052905680613 split increased to 2 itime 837305 + acceleration/energy drift too large 3.59116022959488 + 19.3475911744706 split increased to 2 itime 837434 itsplit 1 - acceleration/energy drift too large 2.44978534363173 - 19.3307621427248 split increased to 2 itime 837900 + acceleration/energy drift too large 5.44973570559482 + 10.7017435629717 split increased to 2 itime 837818 itsplit 1 -Momenta zeroed out, time 167599.80 - acceleration/energy drift too large 10.8420769558864 - 51.4170024293877 split increased to 2 itime 838778 + acceleration/energy drift too large 1.42978128043424 + 10.0119511095892 split increased to 2 itime 837819 itsplit 1 - acceleration/energy drift too large 2.62233037324919 - 12.6428270262038 split increased to 4 itime 838778 - itsplit 2 +Momenta zeroed out, time 167599.80 Momenta zeroed out, time 167799.80 - acceleration/energy drift too large 2.48441307681016 - 14.5793156357090 split increased to 2 itime 839050 - itsplit 1 - acceleration/energy drift too large 5.71538695754669 - 31.3251394309829 split increased to 2 itime 839096 - itsplit 1 - acceleration/energy drift too large 5.19933003585489 - 39.8139900423573 split increased to 2 itime 839099 + acceleration/energy drift too large 10.2545920169025 + 41.1907174481073 split increased to 2 itime 839877 itsplit 1 - acceleration/energy drift too large 4.72051235839638 - 10.2359242235243 split increased to 2 itime 839186 + acceleration/energy drift too large 2.42257278862829 + 11.7181201372753 split increased to 4 itime 839877 + itsplit 2 + acceleration/energy drift too large 3.63309258593222 + 12.7466615955789 split increased to 2 itime 839948 itsplit 1 - acceleration/energy drift too large 2.39866024366656 - 15.9231302375516 split increased to 2 itime 839573 + acceleration/energy drift too large 3.19373401059671 + 12.0470905658375 split increased to 2 itime 839949 itsplit 1 - acceleration/energy drift too large 4.76231044730511 - 11.3321795427173 split increased to 2 itime 839719 + acceleration/energy drift too large 4.20638933581023 + 16.0212325392780 split increased to 2 itime 839971 itsplit 1 Velocities reset to random values, time 167999.80 Momenta zeroed out, time 167999.80 - acceleration/energy drift too large 3.79350199955811 - 10.5001940524890 split increased to 2 itime 840743 - itsplit 1 Momenta zeroed out, time 168199.80 - acceleration/energy drift too large 6.61656268458034 - 17.7950150352758 split increased to 2 itime 841958 + acceleration/energy drift too large 9.80880737700308 + 54.0828929684685 split increased to 2 itime 841095 itsplit 1 Momenta zeroed out, time 168399.80 - acceleration/energy drift too large 4.45830353418683 - 10.2704113241334 split increased to 2 itime 842136 + acceleration/energy drift too large 6.81921152212810 + 19.3426093246424 split increased to 2 itime 842153 itsplit 1 - acceleration/energy drift too large 2.78113941567953 - 16.1368071019432 split increased to 2 itime 842168 + acceleration/energy drift too large 4.74694975877957 + 24.3335165867676 split increased to 2 itime 842346 itsplit 1 - acceleration/energy drift too large 3.03710675547923 - 14.3920746152679 split increased to 2 itime 842212 + acceleration/energy drift too large 10.9926444880637 + 52.7274398807304 split increased to 2 itime 842693 itsplit 1 - acceleration/energy drift too large 5.34404796976757 - 14.6184109894897 split increased to 2 itime 842286 - itsplit 1 - acceleration/energy drift too large 6.23173325286955 - 17.6149781736096 split increased to 2 itime 842552 + acceleration/energy drift too large 4.97547562956363 + 32.2628434554692 split increased to 2 itime 842785 itsplit 1 Momenta zeroed out, time 168599.80 - acceleration/energy drift too large 5.94537698564572 - 24.6323977561414 split increased to 2 itime 843048 +Momenta zeroed out, time 168799.80 + acceleration/energy drift too large 4.32417608736464 + 10.9261796755472 split increased to 2 itime 844590 itsplit 1 - acceleration/energy drift too large 11.0796251994786 - 61.1559396749390 split increased to 2 itime 843648 + acceleration/energy drift too large 2.71656650183017 + 11.9511196030858 split increased to 2 itime 844914 itsplit 1 - acceleration/energy drift too large 3.69849388252310 - 10.8102112288560 split increased to 2 itime 843669 +Momenta zeroed out, time 168999.80 + acceleration/energy drift too large 5.52911673577477 + 20.0271765601478 split increased to 2 itime 845146 itsplit 1 -Momenta zeroed out, time 168799.80 - acceleration/energy drift too large 7.68812706148084 - 32.1195302531418 split increased to 2 itime 844679 + acceleration/energy drift too large 8.10112925061482 + 26.4660826287684 split increased to 2 itime 845780 itsplit 1 - acceleration/energy drift too large 4.43866307095757 - 16.4179838936474 split increased to 2 itime 844748 + acceleration/energy drift too large 3.15128477125348 + 15.5457918529818 split increased to 4 itime 845780 itsplit 1 -Momenta zeroed out, time 168999.80 -Momenta zeroed out, time 169199.80 -Momenta zeroed out, time 169399.80 - acceleration/energy drift too large 2.86204171095836 - 12.4515048886245 split increased to 2 itime 847293 + acceleration/energy drift too large 6.70380282546396 + 17.7029686224475 split increased to 2 itime 845964 itsplit 1 -Momenta zeroed out, time 169599.80 - acceleration/energy drift too large 6.86288316992849 - 33.5876519925142 split increased to 2 itime 848564 + acceleration/energy drift too large 3.90002346652398 + 11.6811520870659 split increased to 2 itime 845999 itsplit 1 - acceleration/energy drift too large 4.84307577757960 - 28.1025834960230 split increased to 2 itime 848693 +Momenta zeroed out, time 169199.80 + acceleration/energy drift too large 8.96518127361363 + 35.7926386009011 split increased to 2 itime 846319 itsplit 1 - acceleration/energy drift too large 4.26403124915238 - 19.0221931502649 split increased to 2 itime 848696 + acceleration/energy drift too large 5.96814772606406 + 10.5356464378750 split increased to 2 itime 846906 itsplit 1 -Momenta zeroed out, time 169799.80 - acceleration/energy drift too large 4.80387072522554 - 22.2621227339740 split increased to 2 itime 849221 +Momenta zeroed out, time 169399.80 + acceleration/energy drift too large 4.33263791652928 + 13.6300926914227 split increased to 2 itime 847298 itsplit 1 - acceleration/energy drift too large 4.51615868846850 - 10.4161914374987 split increased to 2 itime 849904 +Momenta zeroed out, time 169599.80 +Momenta zeroed out, time 169799.80 + acceleration/energy drift too large 14.3798667268271 + 60.0567401932103 split increased to 2 itime 849491 itsplit 1 Velocities reset to random values, time 169999.80 Momenta zeroed out, time 169999.80 - acceleration/energy drift too large 9.63534816887219 - 44.7988529466795 split increased to 2 itime 850990 + acceleration/energy drift too large 2.26920665930816 + 12.4862912385554 split increased to 2 itime 850074 + itsplit 1 + acceleration/energy drift too large 4.63585603086060 + 26.6394120346428 split increased to 2 itime 850202 itsplit 1 - acceleration/energy drift too large 2.22523393208590 - 10.2637488131363 split increased to 4 itime 850990 + acceleration/energy drift too large 12.7575695215102 + 68.8208373402931 split increased to 2 itime 850246 + itsplit 1 + acceleration/energy drift too large 3.00291097172718 + 15.6578524847007 split increased to 4 itime 850246 itsplit 2 -Momenta zeroed out, time 170199.80 - acceleration/energy drift too large 6.96546052639964 - 31.9614088400548 split increased to 2 itime 851404 + acceleration/energy drift too large 4.26658402425993 + 10.8793186079422 split increased to 2 itime 850650 itsplit 1 - acceleration/energy drift too large 4.66283955694745 - 24.8860277749782 split increased to 2 itime 851701 + acceleration/energy drift too large 11.2305362451621 + 56.9514780589187 split increased to 2 itime 850937 itsplit 1 - acceleration/energy drift too large 4.98479149535941 - 23.0617648361699 split increased to 2 itime 851897 +Momenta zeroed out, time 170199.80 + acceleration/energy drift too large 3.97438844141151 + 10.8118371585247 split increased to 2 itime 851113 itsplit 1 - acceleration/energy drift too large 3.00794597525568 - 12.1672954196424 split increased to 2 itime 851898 + acceleration/energy drift too large 3.38154122630386 + 12.2443712546491 split increased to 2 itime 851135 itsplit 1 Momenta zeroed out, time 170399.80 - acceleration/energy drift too large 3.58012260323918 - 14.4450255088838 split increased to 2 itime 852440 + acceleration/energy drift too large 3.07708237598174 + 19.8568728640551 split increased to 2 itime 852009 itsplit 1 -Momenta zeroed out, time 170599.80 - acceleration/energy drift too large 6.21991697041762 - 42.4463056970164 split increased to 2 itime 853352 + acceleration/energy drift too large 6.62296986963541 + 20.6554886394030 split increased to 2 itime 852829 itsplit 1 -Momenta zeroed out, time 170799.80 - acceleration/energy drift too large 2.58489288213179 - 13.0927170747239 split increased to 2 itime 854377 +Momenta zeroed out, time 170599.80 + acceleration/energy drift too large 8.38029793913600 + 31.6031933005516 split increased to 2 itime 853089 itsplit 1 - acceleration/energy drift too large 5.35148693480653 - 12.7228898550182 split increased to 2 itime 854425 + acceleration/energy drift too large 5.07272899253934 + 21.6134092432269 split increased to 2 itime 853334 itsplit 1 - acceleration/energy drift too large 5.84063761156367 - 11.1826054705122 split increased to 2 itime 854840 + acceleration/energy drift too large 8.21200828827936 + 33.4518279265385 split increased to 2 itime 853411 itsplit 1 +Momenta zeroed out, time 170799.80 Momenta zeroed out, time 170999.80 Momenta zeroed out, time 171199.80 - acceleration/energy drift too large 6.24983481895774 - 23.1036693384368 split increased to 2 itime 856016 - itsplit 1 - acceleration/energy drift too large 5.36266942342090 - 13.5381106466956 split increased to 2 itime 856101 + acceleration/energy drift too large 6.36028883546263 + 35.0016498441015 split increased to 2 itime 856518 itsplit 1 - acceleration/energy drift too large 5.57347626498543 - 15.1582945005486 split increased to 2 itime 856171 - itsplit 1 - acceleration/energy drift too large 5.65676820592788 - 18.6312757876488 split increased to 2 itime 856427 + acceleration/energy drift too large 3.95393959510469 + 10.6167719625729 split increased to 2 itime 856837 itsplit 1 Momenta zeroed out, time 171399.80 - acceleration/energy drift too large 4.83501427315133 - 10.7051855998785 split increased to 2 itime 857842 - itsplit 1 Momenta zeroed out, time 171599.80 - acceleration/energy drift too large 13.2489650284563 - 78.1206710367846 split increased to 2 itime 858021 + acceleration/energy drift too large 7.43431641317747 + 19.6145943555014 split increased to 2 itime 858875 itsplit 1 - acceleration/energy drift too large 9.05100487808410 - 52.9801546053309 split increased to 2 itime 858156 - itsplit 1 - acceleration/energy drift too large 5.35417793615499 - 33.0083559926598 split increased to 2 itime 858569 +Momenta zeroed out, time 171799.80 + acceleration/energy drift too large 5.27513059710535 + 11.0921013525325 split increased to 2 itime 859334 itsplit 1 - acceleration/energy drift too large 3.18642383516503 - 11.5117395898710 split increased to 2 itime 858584 + acceleration/energy drift too large 4.94632546462040 + 11.3257595325060 split increased to 2 itime 859927 itsplit 1 -Momenta zeroed out, time 171799.80 Velocities reset to random values, time 171999.80 Momenta zeroed out, time 171999.80 - acceleration/energy drift too large 4.83051900066606 - 12.7115562457088 split increased to 2 itime 860566 - itsplit 1 - acceleration/energy drift too large 4.04583404607154 - 11.1441966228135 split increased to 2 itime 860959 - itsplit 1 Momenta zeroed out, time 172199.80 - acceleration/energy drift too large 6.08369554416079 - 14.6255441091520 split increased to 2 itime 861046 - itsplit 1 - acceleration/energy drift too large 9.83822348277458 - 41.2937116147661 split increased to 2 itime 861047 - itsplit 1 - acceleration/energy drift too large 3.56944426305578 - 15.2176624246290 split increased to 2 itime 861107 - itsplit 1 - acceleration/energy drift too large 3.67449261754272 - 25.9436957086026 split increased to 2 itime 861216 - itsplit 1 - acceleration/energy drift too large 2.51773042567844 - 14.6919313639661 split increased to 2 itime 861355 - itsplit 1 - acceleration/energy drift too large 8.78972946827760 - 21.8475271863973 split increased to 2 itime 861540 - itsplit 1 - acceleration/energy drift too large 4.71489544231355 - 23.1371844420700 split increased to 2 itime 861672 + acceleration/energy drift too large 6.03027743239657 + 30.8126110514596 split increased to 2 itime 861472 itsplit 1 Momenta zeroed out, time 172399.80 - acceleration/energy drift too large 4.65001620208055 - 12.5263650209271 split increased to 2 itime 862791 + acceleration/energy drift too large 5.29808844145597 + 35.0353484091254 split increased to 2 itime 862512 + itsplit 1 + acceleration/energy drift too large 18.0238324939499 + 115.158619737863 split increased to 2 itime 862943 itsplit 1 + acceleration/energy drift too large 4.37971732030351 + 29.1060341591174 split increased to 4 itime 862943 + itsplit 2 Momenta zeroed out, time 172599.80 - acceleration/energy drift too large 2.30011268850579 - 13.0168350031242 split increased to 2 itime 863298 + acceleration/energy drift too large 4.73311163771637 + 11.6903390610584 split increased to 2 itime 863414 itsplit 1 - acceleration/energy drift too large 5.56983502876893 - 17.4927843371011 split increased to 2 itime 863654 + acceleration/energy drift too large 5.37443863079172 + 42.3582669653840 split increased to 2 itime 863917 itsplit 1 - acceleration/energy drift too large 2.77434485610359 - 10.0897258712549 split increased to 2 itime 863676 + acceleration/energy drift too large 1.62337959065407 + 14.2921217860180 split increased to 4 itime 863917 itsplit 1 Momenta zeroed out, time 172799.80 - acceleration/energy drift too large 4.75453100641751 - 28.0695741559721 split increased to 2 itime 864751 + acceleration/energy drift too large 2.57723625276747 + 10.2876166713020 split increased to 2 itime 864699 itsplit 1 - acceleration/energy drift too large 10.0540430429866 - 41.8507058467516 split increased to 2 itime 864869 + acceleration/energy drift too large 10.4740284681471 + 49.6690974991185 split increased to 2 itime 864736 itsplit 1 Momenta zeroed out, time 172999.80 + acceleration/energy drift too large 5.34310435144486 + 13.7128265528890 split increased to 2 itime 865912 + itsplit 1 Momenta zeroed out, time 173199.80 + acceleration/energy drift too large 4.09287464028647 + 22.1823570874008 split increased to 2 itime 866706 + itsplit 1 Momenta zeroed out, time 173399.80 - acceleration/energy drift too large 3.75755635144372 - 11.2708366345848 split increased to 2 itime 867168 + acceleration/energy drift too large 4.45611584795226 + 30.4211670206788 split increased to 2 itime 867151 + itsplit 1 + acceleration/energy drift too large 11.0454557210159 + 61.0849915647055 split increased to 2 itime 867419 itsplit 1 - acceleration/energy drift too large 3.33038855505244 - 25.8389270973682 split increased to 2 itime 867440 + acceleration/energy drift too large 7.65578322816020 + 35.3715481908191 split increased to 2 itime 867467 + itsplit 1 + acceleration/energy drift too large 5.71226294483308 + 15.0754945363018 split increased to 2 itime 867997 itsplit 1 Momenta zeroed out, time 173599.80 + acceleration/energy drift too large 4.06494521280556 + 18.9163082325702 split increased to 2 itime 868907 + itsplit 1 Momenta zeroed out, time 173799.80 - acceleration/energy drift too large 7.44294785268643 - 17.0164993359433 split increased to 2 itime 869240 + acceleration/energy drift too large 4.32121368670419 + 27.3381967413586 split increased to 2 itime 869029 itsplit 1 - acceleration/energy drift too large 2.19163781974694 - 11.1115085986817 split increased to 2 itime 869241 + acceleration/energy drift too large 3.90291125523700 + 20.8689403409786 split increased to 2 itime 869058 itsplit 1 - acceleration/energy drift too large 6.72354664222478 - 21.1534409792506 split increased to 2 itime 869594 + acceleration/energy drift too large 2.93056859410985 + 11.1224854380143 split increased to 2 itime 869059 + itsplit 1 + acceleration/energy drift too large 5.22850007771541 + 22.3240453250836 split increased to 2 itime 869203 + itsplit 1 + acceleration/energy drift too large 5.55604230048325 + 12.9767928753945 split increased to 2 itime 869503 itsplit 1 Velocities reset to random values, time 173999.80 Momenta zeroed out, time 173999.80 Momenta zeroed out, time 174199.80 + acceleration/energy drift too large 4.25790926241026 + 20.7391047815095 split increased to 2 itime 871544 + itsplit 1 + acceleration/energy drift too large 3.31098428752861 + 11.8950658198900 split increased to 2 itime 871757 + itsplit 1 + acceleration/energy drift too large 6.91078640031780 + 34.8921150455825 split increased to 2 itime 871927 + itsplit 1 Momenta zeroed out, time 174399.80 - acceleration/energy drift too large 6.73242284902425 - 15.5434393948901 split increased to 2 itime 872275 + acceleration/energy drift too large 4.41731845539050 + 14.8819000588437 split increased to 2 itime 872164 itsplit 1 - acceleration/energy drift too large 5.39455279095938 - 11.6455544063819 split increased to 2 itime 872912 + acceleration/energy drift too large 1.66477975477375 + 16.8580664638159 split increased to 4 itime 872164 itsplit 1 Momenta zeroed out, time 174599.80 - acceleration/energy drift too large 5.06997451335019 - 12.4770676005797 split increased to 2 itime 873060 + acceleration/energy drift too large 8.38228861334398 + 33.7145957474249 split increased to 2 itime 873099 + itsplit 1 + acceleration/energy drift too large 5.58282984716409 + 42.4179673533666 split increased to 2 itime 873440 + itsplit 1 + acceleration/energy drift too large 3.18695285655496 + 11.2492445688248 split increased to 2 itime 873544 itsplit 1 Momenta zeroed out, time 174799.80 -Momenta zeroed out, time 174999.80 - acceleration/energy drift too large 4.69437829207566 - 27.2563793703872 split increased to 2 itime 875414 + acceleration/energy drift too large 4.05803917583978 + 18.7228095453566 split increased to 2 itime 874649 itsplit 1 - acceleration/energy drift too large 2.11955822831802 - 10.0515729348498 split increased to 2 itime 875753 + acceleration/energy drift too large 9.23936950205739 + 35.8263995372182 split increased to 2 itime 874669 itsplit 1 -Momenta zeroed out, time 175199.80 - acceleration/energy drift too large 8.20357150425446 - 25.5656505975382 split increased to 2 itime 876315 + acceleration/energy drift too large 2.98516070622453 + 17.0760908207076 split increased to 2 itime 874750 itsplit 1 - acceleration/energy drift too large 3.13970640865758 - 10.7054322987741 split increased to 2 itime 876750 +Momenta zeroed out, time 174999.80 + acceleration/energy drift too large 3.89663557341883 + 20.7830078041452 split increased to 2 itime 875268 itsplit 1 - acceleration/energy drift too large 8.12869834900241 - 29.8429751322213 split increased to 2 itime 876829 +Momenta zeroed out, time 175199.80 + acceleration/energy drift too large 3.90590864951012 + 12.0385255148355 split increased to 2 itime 876323 itsplit 1 -Momenta zeroed out, time 175399.80 - acceleration/energy drift too large 4.36492682729096 - 12.9479839519748 split increased to 2 itime 877467 + acceleration/energy drift too large 3.52144308612978 + 10.6265433977949 split increased to 2 itime 876328 itsplit 1 - acceleration/energy drift too large 4.78527472652971 - 11.9780228186256 split increased to 2 itime 877470 + acceleration/energy drift too large 5.05648355192643 + 36.3530891766473 split increased to 2 itime 876381 itsplit 1 - acceleration/energy drift too large 5.17699321846777 - 25.8093458294555 split increased to 2 itime 877797 +Momenta zeroed out, time 175399.80 + acceleration/energy drift too large 5.08448731633531 + 16.9398238539180 split increased to 2 itime 877237 itsplit 1 Momenta zeroed out, time 175599.80 Momenta zeroed out, time 175799.80 - acceleration/energy drift too large 6.27999635412418 - 17.1631044001894 split increased to 2 itime 879277 - itsplit 1 - acceleration/energy drift too large 6.06018487490301 - 26.7737643740599 split increased to 2 itime 879335 - itsplit 1 - acceleration/energy drift too large 9.47320479814439 - 45.4838186849286 split increased to 2 itime 879777 + acceleration/energy drift too large 2.95134864026826 + 11.3588934361321 split increased to 2 itime 879892 itsplit 1 Velocities reset to random values, time 175999.80 Momenta zeroed out, time 175999.80 - acceleration/energy drift too large 3.49932853664423 - 23.7137070476911 split increased to 2 itime 880375 - itsplit 1 - acceleration/energy drift too large 3.67578409070295 - 15.8006775547129 split increased to 2 itime 880382 + acceleration/energy drift too large 4.02541441082664 + 13.3644005079186 split increased to 2 itime 880294 itsplit 1 - acceleration/energy drift too large 7.38622598114310 - 28.6830902972676 split increased to 2 itime 880972 + acceleration/energy drift too large 6.70501918201437 + 22.4288880317191 split increased to 2 itime 880516 itsplit 1 Momenta zeroed out, time 176199.80 + acceleration/energy drift too large 6.20390568999680 + 21.3577284547193 split increased to 2 itime 881083 + itsplit 1 + acceleration/energy drift too large 5.85432382506297 + 14.3729439109586 split increased to 2 itime 881342 + itsplit 1 + acceleration/energy drift too large 3.05191153473074 + 12.6503890843881 split increased to 2 itime 881687 + itsplit 1 + acceleration/energy drift too large 6.87783883479762 + 18.2690926560713 split increased to 2 itime 881867 + itsplit 1 Momenta zeroed out, time 176399.80 -Momenta zeroed out, time 176599.80 - acceleration/energy drift too large 8.66588111564799 - 20.2540842343845 split increased to 2 itime 883611 + acceleration/energy drift too large 8.71929228948588 + 94.5650970549949 split increased to 2 itime 882690 itsplit 1 - acceleration/energy drift too large 4.48436288819296 - 11.2944416906819 split increased to 2 itime 883657 + acceleration/energy drift too large 4.32770930990285 + 12.7479356001474 split increased to 2 itime 882842 itsplit 1 +Momenta zeroed out, time 176599.80 Momenta zeroed out, time 176799.80 - acceleration/energy drift too large 14.7773185587329 - 102.923834246963 split increased to 2 itime 884163 + acceleration/energy drift too large 5.10123043975217 + 17.5952321915664 split increased to 2 itime 884247 itsplit 1 - acceleration/energy drift too large 6.04892146849442 - 18.6233662015129 split increased to 2 itime 884412 +Momenta zeroed out, time 176999.80 + acceleration/energy drift too large 2.05752475788365 + 17.1201178169957 split increased to 2 itime 885707 itsplit 1 - acceleration/energy drift too large 5.20236785202993 - 14.7051748371210 split increased to 2 itime 884621 +Momenta zeroed out, time 177199.80 + acceleration/energy drift too large 3.73301829184138 + 19.9750967877058 split increased to 2 itime 886226 itsplit 1 -Momenta zeroed out, time 176999.80 - acceleration/energy drift too large 4.20699756749470 - 10.7869464832356 split increased to 2 itime 885385 + acceleration/energy drift too large 10.9972622918589 + 45.2174264013411 split increased to 2 itime 886471 itsplit 1 - acceleration/energy drift too large 3.41859729741352 - 14.4565716693764 split increased to 2 itime 885605 + acceleration/energy drift too large 6.48142595584303 + 20.7139101988225 split increased to 2 itime 886604 itsplit 1 -Momenta zeroed out, time 177199.80 Momenta zeroed out, time 177399.80 + acceleration/energy drift too large 5.35974112492252 + 27.0501571353964 split increased to 2 itime 887253 + itsplit 1 + acceleration/energy drift too large 5.13794882245959 + 14.7942341385993 split increased to 2 itime 887657 + itsplit 1 + acceleration/energy drift too large 6.84281787291847 + 48.2089895898523 split increased to 2 itime 887715 + itsplit 1 Momenta zeroed out, time 177599.80 + acceleration/energy drift too large 6.81650660749857 + 17.8951035926737 split increased to 2 itime 888213 + itsplit 1 + acceleration/energy drift too large 4.99584147256946 + 10.8940564086731 split increased to 2 itime 888234 + itsplit 1 + acceleration/energy drift too large 6.35365250024252 + 25.2625894175073 split increased to 2 itime 888428 + itsplit 1 Momenta zeroed out, time 177799.80 - acceleration/energy drift too large 6.01176433958270 - 27.1447149413527 split increased to 2 itime 889009 + acceleration/energy drift too large 2.08726083803134 + 10.2809192817969 split increased to 2 itime 889000 itsplit 1 - acceleration/energy drift too large 3.75364887003462 - 14.8281750649888 split increased to 2 itime 889581 + acceleration/energy drift too large 7.45976189062025 + 20.8498910647435 split increased to 2 itime 889158 itsplit 1 Velocities reset to random values, time 177999.80 Momenta zeroed out, time 177999.80 - acceleration/energy drift too large 6.48987459218686 - 16.9428145585884 split increased to 2 itime 890190 - itsplit 1 Momenta zeroed out, time 178199.80 - acceleration/energy drift too large 3.76944159562156 - 11.0594608596045 split increased to 2 itime 891230 + acceleration/energy drift too large 4.71659428573037 + 17.0743583990179 split increased to 2 itime 891033 + itsplit 1 + acceleration/energy drift too large 6.35427668487066 + 11.2952993884676 split increased to 2 itime 891344 itsplit 1 - acceleration/energy drift too large 3.45498260561898 - 13.0301738723198 split increased to 2 itime 891458 + acceleration/energy drift too large 4.79646013944604 + 14.4242680843200 split increased to 2 itime 891856 itsplit 1 Momenta zeroed out, time 178399.80 - acceleration/energy drift too large 9.50951043688032 - 41.7590495672279 split increased to 2 itime 892140 + acceleration/energy drift too large 3.05075199197611 + 18.3081344708942 split increased to 2 itime 892341 itsplit 1 Momenta zeroed out, time 178599.80 - acceleration/energy drift too large 6.84902525362797 - 18.6287268263069 split increased to 2 itime 893346 - itsplit 1 - acceleration/energy drift too large 5.35968554616394 - 12.8323918915686 split increased to 2 itime 893391 - itsplit 1 - acceleration/energy drift too large 5.84625415200867 - 29.7765408589849 split increased to 2 itime 893440 + acceleration/energy drift too large 5.46140283551829 + 11.8724372206171 split increased to 2 itime 893386 itsplit 1 - acceleration/energy drift too large 3.65280578888095 - 19.0682862911153 split increased to 2 itime 893441 + acceleration/energy drift too large 4.85358687798588 + 16.8200638505239 split increased to 2 itime 893621 itsplit 1 Momenta zeroed out, time 178799.80 Momenta zeroed out, time 178999.80 - acceleration/energy drift too large 5.83863477986915 - 15.0616527663710 split increased to 2 itime 895174 + acceleration/energy drift too large 8.41989510709371 + 23.7184339934485 split increased to 2 itime 895403 itsplit 1 Momenta zeroed out, time 179199.80 -Momenta zeroed out, time 179399.80 - acceleration/energy drift too large 5.68197528154870 - 15.8778319634530 split increased to 2 itime 897304 + acceleration/energy drift too large 3.42724088024866 + 15.3196985165833 split increased to 2 itime 896047 + itsplit 1 + acceleration/energy drift too large 2.86299616730670 + 13.2721741812338 split increased to 2 itime 896074 itsplit 1 - acceleration/energy drift too large 7.60370617539410 - 47.0100996077568 split increased to 2 itime 897687 +Momenta zeroed out, time 179399.80 + acceleration/energy drift too large 2.10645723938216 + 12.5690740467235 split increased to 2 itime 897911 itsplit 1 Momenta zeroed out, time 179599.80 - acceleration/energy drift too large 5.34874336758885 - 13.8346786897777 split increased to 2 itime 898487 + acceleration/energy drift too large 6.99008152602075 + 10.0543119630183 split increased to 2 itime 898128 + itsplit 1 + acceleration/energy drift too large 7.79557276997525 + 74.2738479080388 split increased to 2 itime 898778 + itsplit 1 + acceleration/energy drift too large 4.32964339481326 + 18.9536940166385 split increased to 2 itime 898854 itsplit 1 Momenta zeroed out, time 179799.80 - acceleration/energy drift too large 5.24047779161385 - 19.8093649601874 split increased to 2 itime 899847 + acceleration/energy drift too large 4.93079540109556 + 23.8015594002408 split increased to 2 itime 899068 + itsplit 1 + acceleration/energy drift too large 4.49932065806085 + 10.3343095362369 split increased to 2 itime 899118 + itsplit 1 + acceleration/energy drift too large 3.49367622350496 + 11.8398968663591 split increased to 2 itime 899802 itsplit 1 Velocities reset to random values, time 179999.80 Momenta zeroed out, time 179999.80 + acceleration/energy drift too large 4.82947334476572 + 15.1867209801454 split increased to 2 itime 900142 + itsplit 1 + acceleration/energy drift too large 6.79376751068094 + 16.4797946753921 split increased to 2 itime 900528 + itsplit 1 + acceleration/energy drift too large 2.89069709750821 + 12.6395220228524 split increased to 2 itime 900748 + itsplit 1 Momenta zeroed out, time 180199.80 - acceleration/energy drift too large 5.62122338679406 - 18.6657617821302 split increased to 2 itime 901083 + acceleration/energy drift too large 6.21859724221174 + 17.4889830486634 split increased to 2 itime 901714 itsplit 1 - acceleration/energy drift too large 2.16949614199354 - 10.7878946654443 split increased to 2 itime 901084 + acceleration/energy drift too large 4.34574425580186 + 10.2686296773455 split increased to 2 itime 901736 itsplit 1 - acceleration/energy drift too large 6.15818241028776 - 14.6248310143846 split increased to 2 itime 901706 + acceleration/energy drift too large 4.10483561373738 + 14.1615658903666 split increased to 2 itime 901846 itsplit 1 -Momenta zeroed out, time 180399.80 - acceleration/energy drift too large 10.2027970037920 - 42.8003967054867 split increased to 2 itime 902267 + acceleration/energy drift too large 2.64597363051180 + 14.7309537966382 split increased to 2 itime 901913 itsplit 1 - acceleration/energy drift too large 3.64948773248115 - 17.4269324142345 split increased to 2 itime 902788 + acceleration/energy drift too large 1.79171673669521 + 11.0781798613907 split increased to 2 itime 901926 itsplit 1 -Momenta zeroed out, time 180599.80 -Momenta zeroed out, time 180799.80 - acceleration/energy drift too large 4.70859152127529 - 29.3451801734849 split increased to 2 itime 904126 +Momenta zeroed out, time 180399.80 + acceleration/energy drift too large 5.91394060817997 + 43.8675893727143 split increased to 2 itime 902036 itsplit 1 - acceleration/energy drift too large 5.58000773491338 - 15.5990575295250 split increased to 2 itime 904317 + acceleration/energy drift too large 4.65730791251816 + 12.4128524752206 split increased to 2 itime 902781 itsplit 1 - acceleration/energy drift too large 9.86814915975152 - 36.1874800652136 split increased to 2 itime 904506 + acceleration/energy drift too large 3.72851480112988 + 12.5730495844750 split increased to 2 itime 902790 itsplit 1 -Momenta zeroed out, time 180999.80 - acceleration/energy drift too large 6.56328572138927 - 31.1629893545920 split increased to 2 itime 905323 +Momenta zeroed out, time 180599.80 + acceleration/energy drift too large 2.89988217202351 + 14.6858945946598 split increased to 2 itime 903057 itsplit 1 - acceleration/energy drift too large 3.41462986507291 - 16.9215579112421 split increased to 2 itime 905324 + acceleration/energy drift too large 2.88447851595674 + 17.5261111470214 split increased to 2 itime 903206 itsplit 1 - acceleration/energy drift too large 2.13707583850978 - 14.0705290705391 split increased to 2 itime 905700 + acceleration/energy drift too large 1.85568446947648 + 10.2409039055008 split increased to 2 itime 903552 itsplit 1 - acceleration/energy drift too large 4.04035237217752 - 10.9624431446359 split increased to 2 itime 905985 +Momenta zeroed out, time 180799.80 +Momenta zeroed out, time 180999.80 + acceleration/energy drift too large 5.46373867652851 + 19.2210304049399 split increased to 2 itime 905097 itsplit 1 Momenta zeroed out, time 181199.80 - acceleration/energy drift too large 3.55191041429711 - 14.9037164361233 split increased to 2 itime 906264 + acceleration/energy drift too large 8.11336547773503 + 25.2570512145526 split increased to 2 itime 906129 itsplit 1 - acceleration/energy drift too large 3.76110310529003 - 14.6875119070239 split increased to 2 itime 906433 + acceleration/energy drift too large 3.21172399104179 + 13.2985384178289 split increased to 2 itime 906131 itsplit 1 - acceleration/energy drift too large 7.24936423712260 - 74.2022090956457 split increased to 2 itime 906623 + acceleration/energy drift too large 3.46158687464693 + 11.6026658976677 split increased to 2 itime 906184 itsplit 1 - acceleration/energy drift too large 1.95060625120199 - 10.0342275762011 split increased to 2 itime 906674 + acceleration/energy drift too large 5.66722503983969 + 27.7265624756108 split increased to 2 itime 906768 itsplit 1 - acceleration/energy drift too large 7.04894518678822 - 20.8085483551270 split increased to 2 itime 906741 - itsplit 1 - acceleration/energy drift too large 6.79943328045162 - 43.7725024783908 split increased to 2 itime 906941 + acceleration/energy drift too large 3.67543627885085 + 10.1486028635225 split increased to 2 itime 906914 itsplit 1 Momenta zeroed out, time 181399.80 - acceleration/energy drift too large 4.61290954419822 - 22.0898067479258 split increased to 2 itime 907738 + acceleration/energy drift too large 4.64793868542410 + 14.5040369455815 split increased to 2 itime 907407 itsplit 1 Momenta zeroed out, time 181599.80 - acceleration/energy drift too large 5.17224570872952 - 20.9110259670425 split increased to 2 itime 908112 - itsplit 1 - acceleration/energy drift too large 5.75928457099154 - 11.0454827557981 split increased to 2 itime 908459 + acceleration/energy drift too large 5.69907222468603 + 13.4150173962285 split increased to 2 itime 908900 itsplit 1 Momenta zeroed out, time 181799.80 Velocities reset to random values, time 181999.80 Momenta zeroed out, time 181999.80 - acceleration/energy drift too large 3.90554049751766 - 10.8043811031973 split increased to 2 itime 910182 - itsplit 1 - acceleration/energy drift too large 1.91106273276985 - 11.0764742045000 split increased to 2 itime 910203 + acceleration/energy drift too large 5.18503715754944 + 10.0103868724462 split increased to 2 itime 910687 itsplit 1 Momenta zeroed out, time 182199.80 - acceleration/energy drift too large 2.65313783521137 - 10.7120577375792 split increased to 2 itime 911109 - itsplit 1 - acceleration/energy drift too large 4.36312936765351 - 17.8629089110227 split increased to 2 itime 911160 - itsplit 1 - acceleration/energy drift too large 4.88557175224186 - 16.3668433246342 split increased to 2 itime 911472 - itsplit 1 - acceleration/energy drift too large 5.26892379036459 - 35.3807300478357 split increased to 2 itime 911686 + acceleration/energy drift too large 2.52361293378438 + 12.0973403366068 split increased to 2 itime 911028 itsplit 1 Momenta zeroed out, time 182399.80 - acceleration/energy drift too large 3.20961260468547 - 13.9842770262309 split increased to 2 itime 912092 - itsplit 1 - acceleration/energy drift too large 6.01648426175313 - 14.1113695426023 split increased to 2 itime 912979 - itsplit 1 Momenta zeroed out, time 182599.80 - acceleration/energy drift too large 8.11952042362087 - 39.6588343963508 split increased to 2 itime 913769 - itsplit 1 - acceleration/energy drift too large 5.32130764352924 - 10.5734067645866 split increased to 2 itime 913816 + acceleration/energy drift too large 2.90149802888706 + 10.5094815744958 split increased to 2 itime 913549 itsplit 1 Momenta zeroed out, time 182799.80 - acceleration/energy drift too large 5.05414223840411 - 35.4579727415615 split increased to 2 itime 914480 + acceleration/energy drift too large 8.11569045081359 + 64.7944281587797 split increased to 2 itime 914172 itsplit 1 - acceleration/energy drift too large 4.67312488199026 - 18.5949667559432 split increased to 2 itime 914484 + acceleration/energy drift too large 1.59608848889898 + 10.0183397158446 split increased to 4 itime 914172 + itsplit 2 + acceleration/energy drift too large 4.18251167260053 + 13.4154360910265 split increased to 2 itime 914862 itsplit 1 Momenta zeroed out, time 182999.80 - acceleration/energy drift too large 7.46682669686951 - 19.4684706450575 split increased to 2 itime 915765 - itsplit 1 - acceleration/energy drift too large 3.54100785085578 - 12.3040022548183 split increased to 2 itime 915868 - itsplit 1 - acceleration/energy drift too large 6.05287108978143 - 32.8256658744923 split increased to 2 itime 915869 - itsplit 1 - acceleration/energy drift too large 6.01725070451161 - 20.8572049719960 split increased to 2 itime 915996 + acceleration/energy drift too large 4.56598059249735 + 11.2604615321587 split increased to 2 itime 915007 itsplit 1 Momenta zeroed out, time 183199.80 - acceleration/energy drift too large 3.13321556291689 - 11.2751744017420 split increased to 2 itime 916252 - itsplit 1 - acceleration/energy drift too large 3.88423040436987 - 17.6982066567550 split increased to 2 itime 916393 - itsplit 1 Momenta zeroed out, time 183399.80 - acceleration/energy drift too large 3.57214076344565 - 10.0475668743890 split increased to 2 itime 917118 - itsplit 1 - acceleration/energy drift too large 10.5605265950588 - 46.9168260784629 split increased to 2 itime 917973 - itsplit 1 Momenta zeroed out, time 183599.80 - acceleration/energy drift too large 5.98748533749086 - 35.1037490529713 split increased to 2 itime 918460 - itsplit 1 - acceleration/energy drift too large 1.35200274666737 - 11.9289034739862 split increased to 2 itime 918461 - itsplit 1 - acceleration/energy drift too large 4.02546648479091 - 21.0193128415977 split increased to 2 itime 918678 + acceleration/energy drift too large 6.07231693082702 + 27.3713912824058 split increased to 2 itime 918308 itsplit 1 Momenta zeroed out, time 183799.80 + acceleration/energy drift too large 5.99355088777846 + 16.8912020843554 split increased to 2 itime 919778 + itsplit 1 Velocities reset to random values, time 183999.80 Momenta zeroed out, time 183999.80 + acceleration/energy drift too large 5.27214085547847 + 21.4149341934010 split increased to 2 itime 920057 + itsplit 1 Momenta zeroed out, time 184199.80 Momenta zeroed out, time 184399.80 - acceleration/energy drift too large 7.37087760841683 - 20.3412541252817 split increased to 2 itime 922635 - itsplit 1 Momenta zeroed out, time 184599.80 - acceleration/energy drift too large 7.15321851697311 - 21.5561373306054 split increased to 2 itime 923699 - itsplit 1 - acceleration/energy drift too large 2.96870118583297 - 22.6185209516745 split increased to 2 itime 923791 - itsplit 1 - acceleration/energy drift too large 6.68502064755374 - 10.9087772064094 split increased to 2 itime 923868 - itsplit 1 Momenta zeroed out, time 184799.80 - acceleration/energy drift too large 7.29000062554137 - 22.8390789941089 split increased to 2 itime 924348 - itsplit 1 - acceleration/energy drift too large 5.27641013930139 - 18.6897387353657 split increased to 2 itime 924790 +Momenta zeroed out, time 184999.80 + acceleration/energy drift too large 9.63121385413570 + 40.3321561974087 split increased to 2 itime 925152 itsplit 1 - acceleration/energy drift too large 6.25693898512847 - 24.1337684243196 split increased to 2 itime 924814 +Momenta zeroed out, time 185199.80 + acceleration/energy drift too large 7.01362495771535 + 20.2802589882538 split increased to 2 itime 926020 itsplit 1 -Momenta zeroed out, time 184999.80 - acceleration/energy drift too large 5.93292344712317 - 21.9576380685060 split increased to 2 itime 925761 + acceleration/energy drift too large 4.03403620421271 + 13.0841803992433 split increased to 2 itime 926272 itsplit 1 - acceleration/energy drift too large 6.72901409287455 - 48.1688507900020 split increased to 2 itime 925942 + acceleration/energy drift too large 5.95233017021077 + 36.1594077523771 split increased to 2 itime 926737 itsplit 1 -Momenta zeroed out, time 185199.80 Momenta zeroed out, time 185399.80 - acceleration/energy drift too large 5.98659640261578 - 22.1361062718019 split increased to 2 itime 927342 + acceleration/energy drift too large 4.36479324680165 + 16.4066195222422 split increased to 2 itime 927257 + itsplit 1 + acceleration/energy drift too large 5.81930228734933 + 13.9617080886443 split increased to 2 itime 927318 itsplit 1 Momenta zeroed out, time 185599.80 - acceleration/energy drift too large 3.34307116669059 - 11.4339340894708 split increased to 2 itime 928888 + acceleration/energy drift too large 5.11988271394827 + 14.7768207008171 split increased to 2 itime 928466 itsplit 1 - acceleration/energy drift too large 2.99541796644712 - 10.6288069226380 split increased to 2 itime 928998 + acceleration/energy drift too large 7.12777845089852 + 23.5301820397188 split increased to 2 itime 928741 itsplit 1 Momenta zeroed out, time 185799.80 - acceleration/energy drift too large 5.83586131742554 - 11.4757160049506 split increased to 2 itime 929369 - itsplit 1 - acceleration/energy drift too large 5.85211448107025 - 13.8658387354948 split increased to 2 itime 929836 - itsplit 1 Velocities reset to random values, time 185999.80 Momenta zeroed out, time 185999.80 - acceleration/energy drift too large 6.21220189600175 - 18.8592278335862 split increased to 2 itime 930177 + acceleration/energy drift too large 4.82957763317368 + 19.4891811840534 split increased to 2 itime 930259 itsplit 1 Momenta zeroed out, time 186199.80 - acceleration/energy drift too large 5.27930883663743 - 12.3879031441849 split increased to 2 itime 931263 + acceleration/energy drift too large 13.6613965815237 + 70.9531802225734 split increased to 2 itime 931804 itsplit 1 -Momenta zeroed out, time 186399.80 - acceleration/energy drift too large 7.80754282813007 - 33.5315454203797 split increased to 2 itime 932487 + acceleration/energy drift too large 3.68417692404778 + 11.6513527687187 split increased to 2 itime 931808 itsplit 1 -Momenta zeroed out, time 186599.80 - acceleration/energy drift too large 4.00908511981754 - 12.0338989996362 split increased to 2 itime 933330 + acceleration/energy drift too large 7.82257297189722 + 24.1122735746029 split increased to 2 itime 931984 + itsplit 1 + acceleration/energy drift too large 3.67974550322363 + 22.4654844458750 split increased to 4 itime 931984 itsplit 1 - acceleration/energy drift too large 2.37576593921870 - 14.6584269603875 split increased to 2 itime 933507 +Momenta zeroed out, time 186399.80 + acceleration/energy drift too large 6.46252598419608 + 13.9294791680571 split increased to 2 itime 932783 itsplit 1 - acceleration/energy drift too large 4.48254367483987 - 13.7063370570411 split increased to 2 itime 933520 +Momenta zeroed out, time 186599.80 + acceleration/energy drift too large 3.77017883823423 + 15.7752712748160 split increased to 2 itime 933249 itsplit 1 Momenta zeroed out, time 186799.80 + acceleration/energy drift too large 2.38565252610876 + 10.4257081580375 split increased to 2 itime 934980 + itsplit 1 Momenta zeroed out, time 186999.80 - acceleration/energy drift too large 5.25665930487048 - 10.5118248380770 split increased to 2 itime 935238 + acceleration/energy drift too large 5.14134966740859 + 27.7915103866392 split increased to 2 itime 935033 + itsplit 1 + acceleration/energy drift too large 4.44774897897450 + 17.2030233792887 split increased to 2 itime 935035 + itsplit 1 + acceleration/energy drift too large 3.30750942795408 + 10.0052205361922 split increased to 2 itime 935040 + itsplit 1 + acceleration/energy drift too large 4.48412358640518 + 19.5877586798849 split increased to 2 itime 935242 itsplit 1 Momenta zeroed out, time 187199.80 - acceleration/energy drift too large 5.04033854141036 - 11.2814009899846 split increased to 2 itime 936057 + acceleration/energy drift too large 7.60453279972231 + 33.6716244407536 split increased to 2 itime 936540 + itsplit 1 + acceleration/energy drift too large 4.33885294412406 + 18.1871557626258 split increased to 2 itime 936541 + itsplit 1 + acceleration/energy drift too large 4.42092131327660 + 13.5590512230040 split increased to 2 itime 936564 + itsplit 1 + acceleration/energy drift too large 3.76747927792381 + 11.1320313272657 split increased to 2 itime 936571 itsplit 1 Momenta zeroed out, time 187399.80 - acceleration/energy drift too large 1.79906818169745 - 12.2877958498139 split increased to 2 itime 937274 + acceleration/energy drift too large 5.48510882321715 + 32.2765308676113 split increased to 2 itime 937344 itsplit 1 Momenta zeroed out, time 187599.80 - acceleration/energy drift too large 8.62935450492395 - 33.8344054757182 split increased to 2 itime 938637 - itsplit 1 - acceleration/energy drift too large 2.77813342575485 - 14.9450526422970 split increased to 2 itime 938638 + acceleration/energy drift too large 6.35207928914690 + 16.4864782917166 split increased to 2 itime 938796 itsplit 1 Momenta zeroed out, time 187799.80 + acceleration/energy drift too large 5.73403888488051 + 15.4147194334436 split increased to 2 itime 939572 + itsplit 1 + acceleration/energy drift too large 5.18725890411447 + 11.6242467041917 split increased to 2 itime 939593 + itsplit 1 + acceleration/energy drift too large 3.52464572649739 + 13.2262445338703 split increased to 2 itime 939680 + itsplit 1 Velocities reset to random values, time 187999.80 Momenta zeroed out, time 187999.80 - acceleration/energy drift too large 5.60736430394881 - 14.7336173657859 split increased to 2 itime 940344 + acceleration/energy drift too large 4.78504017493451 + 27.0911374806043 split increased to 2 itime 940255 itsplit 1 - acceleration/energy drift too large 6.90989592623930 - 27.7941970266507 split increased to 2 itime 940650 + acceleration/energy drift too large 5.53188287789469 + 25.5409946975896 split increased to 2 itime 940382 itsplit 1 Momenta zeroed out, time 188199.80 -Momenta zeroed out, time 188399.80 - acceleration/energy drift too large 6.75020491373272 - 17.7536272777414 split increased to 2 itime 942514 + acceleration/energy drift too large 6.96682756221783 + 15.2836615803801 split increased to 2 itime 941608 itsplit 1 - acceleration/energy drift too large 6.03942510769606 - 19.1564688095779 split increased to 2 itime 942875 + acceleration/energy drift too large 11.8391577659367 + 51.6152931951361 split increased to 2 itime 941758 itsplit 1 +Momenta zeroed out, time 188399.80 Momenta zeroed out, time 188599.80 + acceleration/energy drift too large 4.54266574561402 + 24.8544655986650 split increased to 2 itime 943445 + itsplit 1 + acceleration/energy drift too large 13.1409474632107 + 62.7012391413794 split increased to 2 itime 943578 + itsplit 1 Momenta zeroed out, time 188799.80 - acceleration/energy drift too large 11.2664822663354 - 51.8718402314751 split increased to 2 itime 944597 + acceleration/energy drift too large 3.81858011690233 + 14.1889708816685 split increased to 2 itime 944296 itsplit 1 - acceleration/energy drift too large 8.99230577758132 - 27.1965849948955 split increased to 2 itime 944869 + acceleration/energy drift too large 3.34437926958644 + 10.2510180043954 split increased to 2 itime 944392 itsplit 1 Momenta zeroed out, time 188999.80 - acceleration/energy drift too large 5.43861439488094 - 20.8863860618903 split increased to 2 itime 945188 + acceleration/energy drift too large 3.99641164034698 + 12.2718272092415 split increased to 2 itime 945391 itsplit 1 -Momenta zeroed out, time 189199.80 - acceleration/energy drift too large 4.93008515479953 - 13.4632128732544 split increased to 2 itime 946764 + acceleration/energy drift too large 4.01445030628780 + 11.6926344457874 split increased to 2 itime 945924 itsplit 1 +Momenta zeroed out, time 189199.80 Momenta zeroed out, time 189399.80 - acceleration/energy drift too large 6.18220211790898 - 10.8886641833341 split increased to 2 itime 947038 - itsplit 1 Momenta zeroed out, time 189599.80 + acceleration/energy drift too large 4.88263546168843 + 12.8345435509435 split increased to 2 itime 948185 + itsplit 1 Momenta zeroed out, time 189799.80 - acceleration/energy drift too large 9.27318047324762 - 23.3850465126159 split increased to 2 itime 949727 + acceleration/energy drift too large 4.90703785708861 + 28.6294045589464 split increased to 2 itime 949184 + itsplit 1 + acceleration/energy drift too large 4.01514856483714 + 17.6409946875359 split increased to 2 itime 949909 + itsplit 1 + acceleration/energy drift too large 2.60301700343072 + 14.5962538194249 split increased to 2 itime 949971 itsplit 1 Velocities reset to random values, time 189999.80 Momenta zeroed out, time 189999.80 Momenta zeroed out, time 190199.80 - acceleration/energy drift too large 5.31001529313522 - 27.5684311391091 split increased to 2 itime 951165 - itsplit 1 - acceleration/energy drift too large 11.0081778836693 - 40.1190761125981 split increased to 2 itime 951233 - itsplit 1 - acceleration/energy drift too large 3.18219846886733 - 17.8744503986324 split increased to 2 itime 951946 + acceleration/energy drift too large 2.37540547864535 + 10.6886490599421 split increased to 2 itime 951670 itsplit 1 Momenta zeroed out, time 190399.80 - acceleration/energy drift too large 6.10770848813571 - 15.7168391151412 split increased to 2 itime 952372 - itsplit 1 - acceleration/energy drift too large 3.14336705796314 - 15.9565718626345 split increased to 2 itime 952721 + acceleration/energy drift too large 3.94207035614850 + 17.0413228282822 split increased to 2 itime 952923 itsplit 1 Momenta zeroed out, time 190599.80 - acceleration/energy drift too large 7.25556456751958 - 25.8512160150731 split increased to 2 itime 953154 + acceleration/energy drift too large 5.12939535545746 + 21.8326193250338 split increased to 2 itime 953544 itsplit 1 - acceleration/energy drift too large 5.27705797614478 - 16.3994702245747 split increased to 2 itime 953388 + acceleration/energy drift too large 4.40078143438618 + 16.6772303441040 split increased to 2 itime 953564 itsplit 1 -Momenta zeroed out, time 190799.80 - acceleration/energy drift too large 8.14816673781993 - 33.4745705819704 split increased to 2 itime 954752 + acceleration/energy drift too large 3.13224159066737 + 18.0346659430736 split increased to 2 itime 953628 itsplit 1 - acceleration/energy drift too large 4.39740060142432 - 12.0911929126424 split increased to 2 itime 954946 +Momenta zeroed out, time 190799.80 + acceleration/energy drift too large 4.15552917940018 + 11.3364848029017 split increased to 2 itime 954000 itsplit 1 Momenta zeroed out, time 190999.80 -Momenta zeroed out, time 191199.80 - acceleration/energy drift too large 6.53872071868291 - 20.7490682243366 split increased to 2 itime 956347 + acceleration/energy drift too large 4.00436866176634 + 15.9485422435331 split increased to 2 itime 955363 + itsplit 1 + acceleration/energy drift too large 3.64562522244691 + 27.0569075540315 split increased to 2 itime 955788 itsplit 1 - acceleration/energy drift too large 4.29424588401280 - 21.8040320377200 split increased to 2 itime 956978 + acceleration/energy drift too large 2.95176309973545 + 10.3183339253657 split increased to 2 itime 955848 itsplit 1 +Momenta zeroed out, time 191199.80 Momenta zeroed out, time 191399.80 - acceleration/energy drift too large 6.27164543381592 - 13.7382980850510 split increased to 2 itime 957649 + acceleration/energy drift too large 3.32893038654805 + 10.4485659270696 split increased to 2 itime 957463 itsplit 1 Momenta zeroed out, time 191599.80 Momenta zeroed out, time 191799.80 - acceleration/energy drift too large 6.67149624568872 - 23.9230802879916 split increased to 2 itime 959086 - itsplit 1 - acceleration/energy drift too large 4.55550941535902 - 13.0360638675602 split increased to 2 itime 959733 - itsplit 1 Velocities reset to random values, time 191999.80 Momenta zeroed out, time 191999.80 - acceleration/energy drift too large 4.79044607258603 - 22.6565623483829 split increased to 2 itime 960742 - itsplit 1 - acceleration/energy drift too large 4.76240789969348 - 24.0149740544879 split increased to 2 itime 960807 - itsplit 1 Momenta zeroed out, time 192199.80 - acceleration/energy drift too large 6.29424413826276 - 18.3486077669428 split increased to 2 itime 961707 + acceleration/energy drift too large 5.16069051140740 + 11.4014435147377 split increased to 2 itime 961420 itsplit 1 - acceleration/energy drift too large 6.33963963371977 - 27.9299780649398 split increased to 2 itime 961853 + acceleration/energy drift too large 6.82044220246508 + 23.6655933347278 split increased to 2 itime 961639 itsplit 1 -Momenta zeroed out, time 192399.80 - acceleration/energy drift too large 5.14491442838122 - 27.8142419514433 split increased to 2 itime 962470 + acceleration/energy drift too large 5.13341174943598 + 14.5169867984490 split increased to 2 itime 961883 itsplit 1 - acceleration/energy drift too large 3.38922915363855 - 13.5429266425217 split increased to 2 itime 962896 +Momenta zeroed out, time 192399.80 + acceleration/energy drift too large 5.14587011566618 + 14.9733467139528 split increased to 2 itime 962917 itsplit 1 Momenta zeroed out, time 192599.80 - acceleration/energy drift too large 4.41014272750660 - 14.0332501725571 split increased to 2 itime 963020 + acceleration/energy drift too large 3.07462370859140 + 15.1197820192684 split increased to 2 itime 963594 itsplit 1 - acceleration/energy drift too large 14.0409361831913 - 73.9892832288609 split increased to 2 itime 963622 + acceleration/energy drift too large 3.55216609633986 + 10.9370708316761 split increased to 2 itime 963833 itsplit 1 Momenta zeroed out, time 192799.80 - acceleration/energy drift too large 3.19962553796617 - 20.9001126343410 split increased to 2 itime 964437 + acceleration/energy drift too large 5.13020328348604 + 13.0685842434856 split increased to 2 itime 964057 + itsplit 1 + acceleration/energy drift too large 10.8814416001252 + 56.6668213490551 split increased to 2 itime 964290 itsplit 1 Momenta zeroed out, time 192999.80 - acceleration/energy drift too large 2.17314356355256 - 10.6991244730608 split increased to 2 itime 965270 + acceleration/energy drift too large 5.05675085950300 + 16.6805023414707 split increased to 2 itime 965678 itsplit 1 -Momenta zeroed out, time 193199.80 - acceleration/energy drift too large 6.02903530309220 - 22.3053860313744 split increased to 2 itime 966248 + acceleration/energy drift too large 3.12676231337687 + 11.5926484320452 split increased to 2 itime 965679 itsplit 1 - acceleration/energy drift too large 9.37963109675461 - 22.3336975570064 split increased to 2 itime 966403 + acceleration/energy drift too large 5.26064245230373 + 25.6357886249866 split increased to 2 itime 965702 itsplit 1 - acceleration/energy drift too large 2.80723937303167 - 18.7743272049805 split increased to 2 itime 966684 +Momenta zeroed out, time 193199.80 + acceleration/energy drift too large 11.9160883732818 + 55.5869825767447 split increased to 2 itime 966077 itsplit 1 - acceleration/energy drift too large 3.87206429728628 - 17.8389343992755 split increased to 2 itime 966713 + acceleration/energy drift too large 2.87110525911399 + 12.7529689474325 split increased to 4 itime 966077 + itsplit 2 + acceleration/energy drift too large 7.30267040638017 + 16.0346477896928 split increased to 2 itime 966712 itsplit 1 Momenta zeroed out, time 193399.80 - acceleration/energy drift too large 2.16590770830402 - 14.3399973599334 split increased to 2 itime 967226 + acceleration/energy drift too large 6.27751101304629 + 17.0921075650469 split increased to 2 itime 967580 + itsplit 1 + acceleration/energy drift too large 13.9335564393199 + 68.3380850996590 split increased to 2 itime 967760 itsplit 1 Momenta zeroed out, time 193599.80 - acceleration/energy drift too large 3.06716596701785 - 30.2667036885428 split increased to 2 itime 968823 + acceleration/energy drift too large 5.70421353767090 + 14.7685014390314 split increased to 2 itime 968857 itsplit 1 Momenta zeroed out, time 193799.80 Velocities reset to random values, time 193999.80 Momenta zeroed out, time 193999.80 - acceleration/energy drift too large 2.33921418363848 - 13.1139317240758 split increased to 2 itime 970614 - itsplit 1 Momenta zeroed out, time 194199.80 - acceleration/energy drift too large 8.89509760276470 - 36.0368115870073 split increased to 2 itime 971618 - itsplit 1 Momenta zeroed out, time 194399.80 - acceleration/energy drift too large 5.19437576725966 - 21.8396763660332 split increased to 2 itime 972318 - itsplit 1 - acceleration/energy drift too large 3.90348507695355 - 10.4627659113506 split increased to 2 itime 972553 + acceleration/energy drift too large 4.03284367021324 + 12.2164923476387 split increased to 2 itime 972556 itsplit 1 Momenta zeroed out, time 194599.80 - acceleration/energy drift too large 15.1552439539977 - 77.5429983881677 split increased to 2 itime 973018 + acceleration/energy drift too large 2.36077912686608 + 12.2858771386611 split increased to 2 itime 973461 itsplit 1 - acceleration/energy drift too large 3.62255360891838 - 20.3337356771662 split increased to 4 itime 973018 - itsplit 2 - acceleration/energy drift too large 15.0773731274037 - 106.730361742178 split increased to 2 itime 973514 + acceleration/energy drift too large 2.07893742783484 + 14.2563691316188 split increased to 2 itime 973579 itsplit 1 - acceleration/energy drift too large 6.01073553117816 - 16.3498539116983 split increased to 2 itime 973559 + acceleration/energy drift too large 3.09508213569124 + 13.0693959893291 split increased to 2 itime 973922 itsplit 1 - acceleration/energy drift too large 3.03330689085973 - 10.7244807577943 split increased to 2 itime 973736 + acceleration/energy drift too large 2.96418294681954 + 11.8321499266464 split increased to 2 itime 973971 itsplit 1 Momenta zeroed out, time 194799.80 -Momenta zeroed out, time 194999.80 - acceleration/energy drift too large 5.70769554678630 - 11.8567732878742 split increased to 2 itime 975015 + acceleration/energy drift too large 9.00737261505590 + 50.9996524582435 split increased to 2 itime 974036 itsplit 1 - acceleration/energy drift too large 7.68362191879211 - 26.6864545805354 split increased to 2 itime 975101 + acceleration/energy drift too large 2.82680928004697 + 11.6671967367797 split increased to 2 itime 974037 itsplit 1 - acceleration/energy drift too large 8.88579828689598 - 32.9749359593257 split increased to 2 itime 975533 + acceleration/energy drift too large 3.14396948893536 + 11.5132544499805 split increased to 2 itime 974065 itsplit 1 -Momenta zeroed out, time 195199.80 - acceleration/energy drift too large 2.27494489137774 - 10.0016532600858 split increased to 2 itime 976012 + acceleration/energy drift too large 8.14890636854130 + 31.3578253582008 split increased to 2 itime 974342 itsplit 1 -Momenta zeroed out, time 195399.80 - acceleration/energy drift too large 3.66890549836824 - 23.6048671941810 split increased to 2 itime 977580 + acceleration/energy drift too large 6.16687926874946 + 23.2859529088203 split increased to 2 itime 974514 + itsplit 1 + acceleration/energy drift too large 2.84244438892279 + 10.2677715178509 split increased to 2 itime 974696 itsplit 1 - acceleration/energy drift too large 4.61094179287409 - 15.0729042705347 split increased to 2 itime 977915 + acceleration/energy drift too large 4.00049138055946 + 18.1579768947608 split increased to 2 itime 974810 itsplit 1 - acceleration/energy drift too large 4.56927343456403 - 10.1362460528505 split increased to 2 itime 977982 + acceleration/energy drift too large 2.08514292933480 + 10.3572803632467 split increased to 2 itime 974854 itsplit 1 +Momenta zeroed out, time 194999.80 +Momenta zeroed out, time 195199.80 +Momenta zeroed out, time 195399.80 Momenta zeroed out, time 195599.80 - acceleration/energy drift too large 5.80908005292603 - 12.0135520310286 split increased to 2 itime 978078 + acceleration/energy drift too large 4.12068468866393 + 11.0076528156944 split increased to 2 itime 978406 + itsplit 1 + acceleration/energy drift too large 5.73551742791258 + 18.3856132438694 split increased to 2 itime 978973 itsplit 1 Momenta zeroed out, time 195799.80 - acceleration/energy drift too large 11.3503029539346 - 48.2875063075134 split increased to 2 itime 979334 + acceleration/energy drift too large 8.33925823764361 + 32.0906705161328 split increased to 2 itime 979537 itsplit 1 - acceleration/energy drift too large 2.71188707872548 - 11.2246572752958 split increased to 4 itime 979334 + acceleration/energy drift too large 4.00747172785155 + 13.6288116570557 split increased to 2 itime 979676 + itsplit 1 + acceleration/energy drift too large 5.34886075679711 + 38.5217680642050 split increased to 2 itime 979877 itsplit 1 Velocities reset to random values, time 195999.80 Momenta zeroed out, time 195999.80 - acceleration/energy drift too large 4.49774658347009 - 14.0207197421887 split increased to 2 itime 980030 + acceleration/energy drift too large 5.58399089447018 + 14.9520411650888 split increased to 2 itime 980672 + itsplit 1 + acceleration/energy drift too large 6.62559590717301 + 17.3993356243298 split increased to 2 itime 980949 itsplit 1 Momenta zeroed out, time 196199.80 - acceleration/energy drift too large 5.85649068568362 - 39.2486807992640 split increased to 2 itime 981936 + acceleration/energy drift too large 4.53363189233597 + 21.8829936187962 split increased to 2 itime 981548 itsplit 1 - acceleration/energy drift too large 4.87721002623289 - 11.6473147741579 split increased to 2 itime 981988 + acceleration/energy drift too large 5.55498473962332 + 13.3612126534601 split increased to 2 itime 981653 itsplit 1 Momenta zeroed out, time 196399.80 - acceleration/energy drift too large 2.74904037843376 - 10.3130441650798 split increased to 2 itime 982307 - itsplit 1 - acceleration/energy drift too large 8.38821607376124 - 31.2376868227939 split increased to 2 itime 982412 - itsplit 1 - acceleration/energy drift too large 4.40722309988576 - 12.5638885015938 split increased to 2 itime 982529 - itsplit 1 - acceleration/energy drift too large 6.06612489368554 - 14.3883347043349 split increased to 2 itime 982625 - itsplit 1 Momenta zeroed out, time 196599.80 + acceleration/energy drift too large 3.89807966732855 + 21.6048039617470 split increased to 2 itime 983016 + itsplit 1 Momenta zeroed out, time 196799.80 + acceleration/energy drift too large 6.14518005179160 + 12.2412991831814 split increased to 2 itime 984137 + itsplit 1 Momenta zeroed out, time 196999.80 Momenta zeroed out, time 197199.80 -Momenta zeroed out, time 197399.80 - acceleration/energy drift too large 3.20245704008770 - 11.6712230583542 split increased to 2 itime 987118 + acceleration/energy drift too large 5.42231890674944 + 31.0847431745810 split increased to 2 itime 986083 itsplit 1 - acceleration/energy drift too large 3.43237337499891 - 13.7642202438480 split increased to 2 itime 987333 + acceleration/energy drift too large 4.16415578451689 + 21.8299874905124 split increased to 2 itime 986135 itsplit 1 -Momenta zeroed out, time 197599.80 - acceleration/energy drift too large 7.02443651265906 - 14.3349668792879 split increased to 2 itime 988562 + acceleration/energy drift too large 9.04158352799910 + 21.2029091567497 split increased to 2 itime 986216 + itsplit 1 + acceleration/energy drift too large 3.92761749710541 + 15.7914775558885 split increased to 2 itime 986584 + itsplit 1 + acceleration/energy drift too large 8.22986359727857 + 26.2843658501537 split increased to 2 itime 986643 itsplit 1 - acceleration/energy drift too large 5.27712308978857 - 23.6278023163737 split increased to 2 itime 988915 +Momenta zeroed out, time 197399.80 + acceleration/energy drift too large 5.16711859918180 + 20.3906857575241 split increased to 2 itime 987266 + itsplit 1 +Momenta zeroed out, time 197599.80 + acceleration/energy drift too large 7.83474393165542 + 18.7013228871402 split increased to 2 itime 988291 itsplit 1 Momenta zeroed out, time 197799.80 - acceleration/energy drift too large 14.3101258271564 - 73.8753012495806 split increased to 2 itime 989419 + acceleration/energy drift too large 5.17260337784845 + 17.3617626482651 split increased to 2 itime 989182 itsplit 1 -Velocities reset to random values, time 197999.80 -Momenta zeroed out, time 197999.80 - acceleration/energy drift too large 4.34596405324685 - 12.3113228469799 split increased to 2 itime 990181 + acceleration/energy drift too large 4.33088923480888 + 10.2582389492590 split increased to 2 itime 989465 itsplit 1 - acceleration/energy drift too large 2.87924359022066 - 13.8681822075700 split increased to 2 itime 990417 + acceleration/energy drift too large 2.58045438738235 + 10.6658863076609 split increased to 2 itime 989466 itsplit 1 -Momenta zeroed out, time 198199.80 - acceleration/energy drift too large 7.40783346782682 - 37.7812948844625 split increased to 2 itime 991184 + acceleration/energy drift too large 7.26388819666526 + 21.6267630643166 split increased to 2 itime 989783 itsplit 1 - acceleration/energy drift too large 7.38997031870466 - 28.8355688071303 split increased to 2 itime 991789 +Velocities reset to random values, time 197999.80 +Momenta zeroed out, time 197999.80 + acceleration/energy drift too large 4.83501855164138 + 21.5570193217838 split increased to 2 itime 990614 itsplit 1 +Momenta zeroed out, time 198199.80 Momenta zeroed out, time 198399.80 - acceleration/energy drift too large 8.37351315498724 - 14.6829168729824 split increased to 2 itime 992743 - itsplit 1 - acceleration/energy drift too large 5.01687445639945 - 17.9050346606518 split increased to 2 itime 992782 + acceleration/energy drift too large 10.3058453934355 + 42.7830673391108 split increased to 2 itime 992725 itsplit 1 + acceleration/energy drift too large 2.49101496628969 + 10.1924993728903 split increased to 4 itime 992725 + itsplit 2 Momenta zeroed out, time 198599.80 - acceleration/energy drift too large 6.80245166332971 - 16.2098379219746 split increased to 2 itime 993069 + acceleration/energy drift too large 5.98371241874988 + 28.2393140002809 split increased to 2 itime 993126 itsplit 1 - acceleration/energy drift too large 6.73834600900413 - 11.0102482849279 split increased to 2 itime 993938 + acceleration/energy drift too large 6.75495050971541 + 19.4260559844452 split increased to 2 itime 993718 itsplit 1 Momenta zeroed out, time 198799.80 - acceleration/energy drift too large 5.23608059925471 - 20.6057091523640 split increased to 2 itime 994438 + acceleration/energy drift too large 3.73361946278839 + 15.4404075967740 split increased to 2 itime 994448 itsplit 1 - acceleration/energy drift too large 4.32890395213642 - 12.9860246731788 split increased to 2 itime 994447 + acceleration/energy drift too large 6.50549937351096 + 23.7261025340518 split increased to 2 itime 994554 itsplit 1 Momenta zeroed out, time 198999.80 + acceleration/energy drift too large 4.05918350108196 + 13.2717997561855 split increased to 2 itime 995005 + itsplit 1 + acceleration/energy drift too large 5.65835700242759 + 12.0238498858232 split increased to 2 itime 995110 + itsplit 1 + acceleration/energy drift too large 6.18191041323383 + 14.8379670494418 split increased to 2 itime 995172 + itsplit 1 + acceleration/energy drift too large 3.85035083862788 + 11.8232548573595 split increased to 2 itime 995261 + itsplit 1 Momenta zeroed out, time 199199.80 + acceleration/energy drift too large 4.30571270589597 + 13.3012238591509 split increased to 2 itime 996337 + itsplit 1 + acceleration/energy drift too large 5.26768328020865 + 22.4083263878810 split increased to 2 itime 996595 + itsplit 1 + acceleration/energy drift too large 14.2435971240032 + 88.1719231312067 split increased to 2 itime 996864 + itsplit 1 + acceleration/energy drift too large 3.59455121920436 + 21.4591042793336 split increased to 4 itime 996864 + itsplit 1 Momenta zeroed out, time 199399.80 + acceleration/energy drift too large 7.31358189439833 + 16.5117026683757 split increased to 2 itime 997263 + itsplit 1 + acceleration/energy drift too large 6.27660755433854 + 18.1990415187887 split increased to 2 itime 997676 + itsplit 1 + acceleration/energy drift too large 5.30338607276102 + 13.5193400543381 split increased to 2 itime 997777 + itsplit 1 Momenta zeroed out, time 199599.80 - acceleration/energy drift too large 5.73655678863139 - 22.4416768656089 split increased to 2 itime 998634 + acceleration/energy drift too large 9.75998508067627 + 40.2031719448890 split increased to 2 itime 998225 itsplit 1 Momenta zeroed out, time 199799.80 + acceleration/energy drift too large 4.43997242505106 + 11.9680235874614 split increased to 2 itime 999203 + itsplit 1 + acceleration/energy drift too large 6.09383858238315 + 14.6838535255590 split increased to 2 itime 999928 + itsplit 1 Velocities reset to random values, time 199999.80 Momenta zeroed out, time 199999.80 =================================== Timing =================================== - MD calculations setup: 2.34375E-02 - Energy & gradient evaluation: 3.70215E+02 + MD calculations setup: 2.73438E-02 + Energy & gradient evaluation: 3.29441E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.04918E+02 + MD steps: 3.50379E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 417.015625000000 sec + Total wall clock time 357.144531250000 sec diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_000.rst b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_000.rst index 713d3d5..471e9e8 100644 --- a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_000.rst +++ b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_000.rst @@ -1,90 +1,90 @@ - 200000.000002666 33.5609051397689 -28.0562946220985 - 5.50461051767042 300.000000000000 + 200000.000002666 28.5003688998345 -28.8582995182299 + -0.357930618395351 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - -0.18086E+00 0.22961E+00 -0.22599E+00 - -0.13981E+00 -0.22424E+00 -0.87085E-01 - -0.68004E-01 0.25399E+00 0.16356E+00 - 0.32632E+00 -0.17055E+00 0.35463E-01 - -0.29010E+00 0.19449E+00 -0.83812E-01 - 0.23323E+00 0.68508E-01 0.79617E-01 - 0.94072E-01 -0.17525E+00 0.37681E-01 - -0.17137E+00 0.16691E+00 -0.17132E+00 - -0.26905E+00 -0.16700E+00 0.19397E+00 - 0.36756E+00 0.35766E-01 -0.11091E+00 - -0.15565E+00 0.28051E-01 0.66589E-01 - -0.14539E+00 0.31463E+00 0.50869E-01 - 0.23000E+00 -0.28798E+00 -0.74511E-02 - -0.97500E-01 0.24398E-01 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2.233 245.646 300.000 7.698 2 - 240000 48000.00 28.644 -34.656 -6.012 3.82 0.286 0.714 0.256 1.882 259.876 300.000 7.429 2 - 250000 50000.00 28.034 -34.207 -6.173 5.43 0.071 0.857 0.201 1.228 254.335 300.000 6.942 2 - 260000 52000.00 31.721 -30.424 1.297 3.85 0.143 0.800 0.264 1.978 287.789 300.000 7.881 2 - 270000 54000.00 28.906 -35.197 -6.292 5.08 0.286 0.692 0.381 1.646 262.248 300.000 6.756 2 - 280000 56000.00 22.422 -41.207 -18.785 4.36 0.143 0.833 0.318 1.059 203.423 300.000 7.035 2 - 290000 58000.00 31.516 -35.132 -3.616 4.67 0.286 0.636 0.372 1.463 285.933 300.000 7.261 2 - 300000 60000.00 23.758 -33.532 -9.773 5.74 0.143 0.818 0.314 3.558 215.547 300.000 7.143 2 - 310000 62000.00 27.476 -19.403 8.072 6.59 0.143 0.800 0.223 1.247 249.272 300.000 7.385 2 - 320000 64000.00 31.649 -32.234 -0.585 4.87 0.286 0.429 0.182 1.421 287.132 300.000 8.838 2 - 330000 66000.00 24.510 -25.217 -0.707 7.07 0.143 0.667 0.182 0.819 222.367 300.000 8.088 2 - 340000 68000.00 26.333 -32.988 -6.655 3.62 0.429 0.625 0.412 1.953 238.910 300.000 6.411 2 - 350000 70000.00 31.056 -43.642 -12.586 4.18 0.357 0.667 0.252 2.131 281.754 300.000 6.991 2 - 360000 72000.00 31.878 -29.897 1.981 6.50 0.214 0.700 0.205 1.691 289.216 300.000 7.785 2 - 370000 74000.00 33.852 -20.567 13.285 4.53 0.143 0.750 0.358 1.566 307.121 300.000 7.172 2 - 380000 76000.00 29.943 -29.260 0.683 5.20 0.214 0.400 0.200 2.907 271.661 300.000 7.587 2 - 390000 78000.00 34.547 -38.125 -3.578 5.02 0.214 0.700 0.273 1.464 313.430 300.000 6.825 2 - 400000 80000.00 32.887 -32.223 0.664 6.32 0.071 0.875 0.352 1.264 298.370 300.000 7.192 2 - 410000 82000.00 26.534 -15.676 10.858 5.34 0.143 0.600 0.173 1.254 240.728 300.000 7.632 2 - 420000 84000.00 31.546 -28.024 3.522 5.14 0.357 0.375 0.324 1.661 286.198 300.000 7.265 2 - 430000 86000.00 33.805 -29.965 3.840 3.69 0.286 0.556 0.298 1.340 306.695 300.000 7.118 2 - 440000 88000.00 27.417 -34.945 -7.528 3.99 0.357 0.643 0.351 1.808 248.741 300.000 6.922 2 - 450000 90000.00 29.080 -21.957 7.123 3.78 0.214 0.727 0.318 2.437 263.829 300.000 7.814 2 - 460000 92000.00 31.548 -26.885 4.663 4.17 0.429 0.538 0.416 1.648 286.223 300.000 6.991 2 - 470000 94000.00 30.046 -27.021 3.025 4.60 0.214 0.571 0.227 1.686 272.594 300.000 7.388 2 - 480000 96000.00 23.274 -26.691 -3.417 4.36 0.143 0.778 0.338 2.257 211.155 300.000 7.252 2 - 490000 98000.00 32.200 -36.571 -4.371 4.93 0.214 0.625 0.244 2.857 292.133 300.000 7.021 2 - 500000 100000.00 35.931 -24.437 11.493 5.01 0.286 0.556 0.268 1.823 325.982 300.000 7.536 2 - 510000 102000.00 30.177 -28.414 1.763 4.89 0.143 0.714 0.299 1.905 273.779 300.000 7.197 2 - 520000 104000.00 31.502 -40.259 -8.757 4.83 0.143 0.778 0.354 1.584 285.798 300.000 7.044 2 - 530000 106000.00 31.518 -17.249 14.269 4.78 0.000 1.000 0.443 3.042 285.951 300.000 7.536 2 - 540000 108000.00 28.823 -25.491 3.332 4.70 0.214 0.500 0.455 1.100 261.501 300.000 7.827 2 - 550000 110000.00 30.410 -16.882 13.528 3.99 0.357 0.375 0.244 2.810 275.894 300.000 7.827 2 - 560000 112000.00 30.246 -28.236 2.010 4.96 0.071 0.875 0.449 1.537 274.407 300.000 7.520 2 - 570000 114000.00 29.434 -25.106 4.328 4.50 0.286 0.667 0.356 1.797 267.044 300.000 7.423 2 - 580000 116000.00 29.807 -19.837 9.969 5.31 0.071 0.875 0.330 1.982 270.423 300.000 7.167 2 - 590000 118000.00 29.508 -24.821 4.687 4.52 0.071 0.900 0.514 1.378 267.708 300.000 7.046 2 - 600000 120000.00 37.031 -39.546 -2.515 5.61 0.286 0.750 0.335 0.931 335.965 300.000 7.017 2 - 610000 122000.00 25.964 -23.237 2.727 4.72 0.214 0.786 0.338 1.458 235.559 300.000 6.895 2 - 620000 124000.00 23.522 -25.552 -2.030 3.52 0.214 0.625 0.312 2.680 213.403 300.000 6.747 2 - 630000 126000.00 31.435 -38.021 -6.586 3.58 0.071 0.750 0.250 1.714 285.193 300.000 7.931 2 - 640000 128000.00 33.371 -32.810 0.562 3.89 0.286 0.429 0.325 2.460 302.763 300.000 7.089 2 - 650000 130000.00 25.317 -28.945 -3.628 5.38 0.214 0.727 0.318 1.197 229.692 300.000 6.981 2 - 660000 132000.00 30.363 -28.762 1.601 4.83 0.286 0.429 0.182 1.317 275.470 300.000 7.239 2 - 670000 134000.00 33.991 -29.038 4.954 5.52 0.286 0.667 0.326 2.171 308.388 300.000 6.737 2 - 680000 136000.00 27.327 -26.156 1.172 6.67 0.214 0.812 0.335 1.490 247.929 300.000 6.595 2 - 690000 138000.00 29.011 -38.861 -9.850 5.44 0.286 0.667 0.390 1.089 263.206 300.000 7.124 2 - 700000 140000.00 28.765 -21.047 7.718 5.56 0.286 0.765 0.436 1.954 260.975 300.000 6.707 2 - 710000 142000.00 30.968 -23.178 7.790 3.74 0.214 0.667 0.384 1.830 280.954 300.000 7.984 2 - 720000 144000.00 19.217 -38.136 -18.919 3.78 0.214 0.571 0.201 1.459 174.344 300.000 7.211 2 - 730000 146000.00 28.161 -30.688 -2.528 3.93 0.214 0.250 0.284 0.992 255.489 300.000 7.683 2 - 740000 148000.00 25.942 -22.541 3.402 4.36 0.214 0.571 0.331 0.953 235.362 300.000 7.156 2 - 750000 150000.00 26.592 -28.942 -2.350 4.73 0.214 0.700 0.245 2.273 241.254 300.000 7.587 2 - 760000 152000.00 26.601 -31.553 -4.952 5.71 0.214 0.571 0.221 1.507 241.339 300.000 7.130 2 - 770000 154000.00 19.470 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7.006 2 - 880000 176000.00 26.050 -39.509 -13.459 5.24 0.286 0.636 0.281 1.225 236.337 300.000 6.793 2 - 890000 178000.00 26.557 -29.241 -2.684 5.73 0.000 1.000 0.291 1.551 240.942 300.000 7.034 2 - 900000 180000.00 26.799 -30.435 -3.636 4.22 0.286 0.636 0.202 2.641 243.134 300.000 7.516 2 - 910000 182000.00 36.355 -31.530 4.825 4.78 0.071 0.909 0.310 2.202 329.833 300.000 7.160 2 - 920000 184000.00 25.794 -33.753 -7.959 6.69 0.357 0.545 0.211 2.116 234.017 300.000 7.688 2 - 930000 186000.00 29.590 -20.756 8.833 7.84 0.357 0.286 0.162 1.203 268.451 300.000 10.670 2 - 940000 188000.00 32.189 -20.663 11.526 7.46 0.286 0.636 0.248 1.560 292.035 300.000 7.105 2 - 950000 190000.00 26.765 -26.491 0.274 2.62 0.071 0.857 0.318 1.642 242.826 300.000 7.010 2 - 960000 192000.00 21.237 -27.550 -6.313 5.58 0.214 0.700 0.300 1.363 192.677 300.000 6.910 2 - 970000 194000.00 25.831 -35.819 -9.988 5.20 0.286 0.556 0.237 0.901 234.352 300.000 7.246 2 - 980000 196000.00 30.434 -11.068 19.366 4.31 0.214 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4.76 0.214 0.667 0.197 2.681 261.687 300.000 7.594 7 + 210000 42000.00 34.514 -36.053 -1.539 4.87 0.214 0.786 0.393 2.084 313.125 300.000 6.442 7 + 220000 44000.00 23.083 -37.378 -14.295 4.82 0.214 0.727 0.355 1.241 209.420 300.000 7.090 7 + 230000 46000.00 29.792 -25.113 4.679 4.02 0.143 0.667 0.250 1.449 270.291 300.000 7.450 7 + 240000 48000.00 26.062 -28.582 -2.520 6.53 0.286 0.600 0.259 1.394 236.445 300.000 6.668 7 + 250000 50000.00 40.562 -31.660 8.902 4.78 0.143 0.800 0.245 2.545 367.998 300.000 6.597 7 + 260000 52000.00 35.404 -43.312 -7.908 6.05 0.214 0.750 0.235 1.729 321.204 300.000 7.163 7 + 270000 54000.00 34.783 -43.336 -8.553 6.61 0.214 0.700 0.227 2.788 315.572 300.000 6.960 7 + 280000 56000.00 27.960 -38.040 -10.080 5.18 0.143 0.818 0.351 1.627 253.672 300.000 6.875 7 + 290000 58000.00 40.582 -38.450 2.132 3.19 0.429 0.455 0.236 2.250 368.178 300.000 7.065 7 + 300000 60000.00 33.662 -26.283 7.379 2.96 0.143 0.778 0.258 0.999 305.399 300.000 6.784 7 + 310000 62000.00 30.755 -29.457 1.298 2.93 0.357 0.583 0.205 1.490 279.027 300.000 7.471 7 + 320000 64000.00 29.936 -38.873 -8.937 4.73 0.429 0.500 0.170 2.335 271.594 300.000 8.329 7 + 330000 66000.00 35.200 -39.736 -4.536 2.13 0.643 0.400 0.270 1.929 319.351 300.000 6.926 7 + 340000 68000.00 30.321 -36.393 -6.072 3.90 0.214 0.750 0.280 1.043 275.088 300.000 6.637 7 + 350000 70000.00 25.431 -38.835 -13.404 2.19 0.357 0.583 0.299 1.134 230.722 300.000 7.229 7 + 360000 72000.00 36.408 -27.936 8.471 5.11 0.214 0.571 0.182 1.190 330.309 300.000 8.486 7 + 370000 74000.00 32.079 -35.566 -3.488 3.89 0.286 0.636 0.314 2.120 291.034 300.000 7.025 7 + 380000 76000.00 43.676 -16.143 27.534 4.50 0.071 0.875 0.352 2.292 396.254 300.000 7.646 7 + 390000 78000.00 19.484 -38.301 -18.817 3.34 0.286 0.600 0.391 1.475 176.767 300.000 6.897 7 + 400000 80000.00 27.459 -29.830 -2.371 6.00 0.286 0.600 0.209 2.954 249.121 300.000 7.607 7 + 410000 82000.00 27.282 -40.313 -13.030 4.61 0.286 0.765 0.430 1.150 247.518 300.000 6.774 7 + 420000 84000.00 23.476 -32.983 -9.507 4.46 0.071 0.800 0.418 1.617 212.985 300.000 7.641 7 + 430000 86000.00 29.960 -34.249 -4.289 2.65 0.357 0.500 0.277 0.841 271.815 300.000 6.853 7 + 440000 88000.00 26.930 -32.836 -5.906 6.36 0.286 0.500 0.205 1.779 244.321 300.000 8.647 7 + 450000 90000.00 33.499 -47.614 -14.115 4.77 0.143 0.800 0.300 0.768 303.919 300.000 7.913 7 + 460000 92000.00 27.409 -37.963 -10.554 2.92 0.286 0.500 0.358 1.443 248.666 300.000 7.722 7 + 470000 94000.00 28.523 -30.676 -2.152 8.11 0.214 0.250 0.170 1.366 258.778 300.000 10.387 7 + 480000 96000.00 26.306 -29.338 -3.032 5.01 0.143 0.750 0.210 4.611 238.660 300.000 8.458 7 + 490000 98000.00 27.578 -26.637 0.941 4.84 0.286 0.714 0.221 1.339 250.200 300.000 7.528 7 + 500000 100000.00 32.469 -41.689 -9.220 4.02 0.071 0.889 0.283 2.244 294.580 300.000 7.075 7 + 510000 102000.00 29.999 -29.790 0.209 2.78 0.286 0.429 0.182 2.558 272.166 300.000 7.196 7 + 520000 104000.00 32.971 -32.984 -0.013 2.86 0.357 0.643 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26.993 -40.250 -13.257 5.92 0.214 0.786 0.325 1.064 244.896 300.000 6.863 7 + 640000 128000.00 30.971 -32.588 -1.617 5.01 0.286 0.429 0.247 0.915 280.984 300.000 7.373 7 + 650000 130000.00 36.543 -31.713 4.830 4.44 0.143 0.778 0.288 1.878 331.540 300.000 6.562 7 + 660000 132000.00 28.636 -32.149 -3.514 5.37 0.214 0.700 0.300 4.735 259.797 300.000 7.252 7 + 670000 134000.00 27.642 -21.718 5.924 5.92 0.000 1.000 0.273 0.963 250.781 300.000 7.483 7 + 680000 136000.00 31.292 -39.023 -7.731 5.32 0.143 0.714 0.273 1.427 283.895 300.000 8.517 7 + 690000 138000.00 32.840 -25.190 7.651 7.35 0.143 0.714 0.182 1.212 297.945 300.000 9.823 7 + 700000 140000.00 24.510 -27.744 -3.234 7.92 0.214 0.400 0.164 1.337 222.365 300.000 9.850 7 + 710000 142000.00 35.569 -41.409 -5.840 4.09 0.286 0.714 0.344 2.056 322.699 300.000 6.627 7 + 720000 144000.00 29.016 -40.555 -11.540 3.16 0.429 0.625 0.295 2.443 263.244 300.000 6.393 7 + 730000 146000.00 33.185 -36.379 -3.194 3.86 0.214 0.571 0.312 0.840 301.071 300.000 7.031 7 + 740000 148000.00 30.732 -19.195 11.537 6.04 0.143 0.600 0.164 3.417 278.818 300.000 8.621 7 + 750000 150000.00 26.327 -35.743 -9.416 6.08 0.214 0.667 0.202 0.792 238.852 300.000 7.092 7 + 760000 152000.00 30.575 -34.730 -4.156 3.99 0.214 0.400 0.282 1.919 277.391 300.000 7.519 7 + 770000 154000.00 27.049 -32.089 -5.040 7.37 0.071 0.800 0.155 1.036 245.402 300.000 10.615 7 + 780000 156000.00 28.380 -30.436 -2.056 7.58 0.214 0.571 0.169 1.436 257.477 300.000 10.657 7 + 790000 158000.00 24.892 -28.261 -3.368 7.02 0.143 0.714 0.156 1.762 225.835 300.000 10.446 7 + 800000 160000.00 31.211 -43.860 -12.649 6.82 0.071 0.875 0.205 1.758 283.164 300.000 7.660 7 + 810000 162000.00 28.406 -38.778 -10.371 4.89 0.357 0.545 0.252 1.793 257.715 300.000 7.403 7 + 820000 164000.00 33.327 -26.700 6.627 5.09 0.071 0.889 0.323 2.611 302.356 300.000 7.085 7 + 830000 166000.00 29.421 -28.339 1.082 4.67 0.071 0.875 0.284 1.724 266.925 300.000 6.735 7 + 840000 168000.00 35.706 -40.412 -4.707 5.29 0.286 0.636 0.318 1.236 323.941 300.000 6.858 7 + 850000 170000.00 27.782 -14.844 12.938 6.99 0.143 0.600 0.164 1.166 252.049 300.000 10.666 7 + 860000 172000.00 32.738 -33.917 -1.179 4.17 0.214 0.400 0.345 1.258 297.017 300.000 7.693 7 + 870000 174000.00 34.774 -35.105 -0.331 6.72 0.286 0.636 0.211 2.472 315.489 300.000 7.296 7 + 880000 176000.00 35.088 -38.865 -3.777 6.48 0.143 0.778 0.348 2.205 318.337 300.000 7.230 7 + 890000 178000.00 24.141 -36.675 -12.534 2.87 0.286 0.600 0.273 2.305 219.016 300.000 6.922 7 + 900000 180000.00 31.524 -27.055 4.469 4.13 0.286 0.636 0.289 1.397 285.998 300.000 7.079 7 + 910000 182000.00 33.302 -29.732 3.570 5.51 0.214 0.700 0.286 2.370 302.132 300.000 6.838 7 + 920000 184000.00 29.159 -46.989 -17.831 4.30 0.286 0.733 0.297 2.859 264.541 300.000 6.498 7 + 930000 186000.00 24.974 -42.972 -17.998 3.90 0.143 0.778 0.232 1.131 226.574 300.000 7.090 7 + 940000 188000.00 29.435 -42.553 -13.118 2.77 0.357 0.545 0.310 3.643 267.050 300.000 7.009 7 + 950000 190000.00 27.091 -18.469 8.622 5.12 0.143 0.778 0.253 2.391 245.788 300.000 7.768 7 + 960000 192000.00 29.692 -28.287 1.405 4.63 0.143 0.750 0.438 1.947 269.380 300.000 7.040 7 + 970000 194000.00 23.233 -38.262 -15.029 3.41 0.286 0.667 0.299 0.995 210.783 300.000 6.849 7 + 980000 196000.00 29.573 -34.083 -4.510 3.16 0.214 0.786 0.321 2.520 268.303 300.000 6.694 7 + 990000 198000.00 26.325 -35.729 -9.404 3.51 0.071 0.909 0.376 1.800 238.835 300.000 6.778 7 + 1000000 200000.00 27.580 -38.315 -10.734 4.25 0.286 0.636 0.393 2.805 250.223 300.000 6.751 7 diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD000.cx b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD000.cx index f354820..eb070ab 100644 Binary files a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD000.cx and b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD000.cx differ diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD001.cx b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD001.cx index 351cd5c..14b4ee0 100644 Binary files a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD001.cx and b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD001.cx differ diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD002.cx b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD002.cx index f9059ba..897b3cd 100644 Binary files a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD002.cx and b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD002.cx differ diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD003.cx b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD003.cx index 7911bd0..c0562f5 100644 Binary files a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD003.cx and b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD003.cx differ diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD004.cx b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD004.cx index 54ed69b..0a23cee 100644 Binary files a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD004.cx and b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD004.cx differ diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD005.cx b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD005.cx index c1efab9..2b6ba23 100644 Binary files a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD005.cx and b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD005.cx differ diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD006.cx b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD006.cx index 9f1fe31..29acb6b 100644 Binary files a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD006.cx and b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD006.cx differ diff --git a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD007.cx b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD007.cx index bcf556f..29320c1 100644 Binary files a/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD007.cx and b/examples/unres/MD/Berendsen/ff_gab/outputs/1L2Y_MD_MD007.cx differ diff --git a/examples/unres/MD/Berendsen/ff_gab/start.mat b/examples/unres/MD/Berendsen/ff_gab/start.mat index 25089bc..f0caa89 100755 --- a/examples/unres/MD/Berendsen/ff_gab/start.mat +++ b/examples/unres/MD/Berendsen/ff_gab/start.mat @@ -1,7 +1,6 @@ #PBS -N Ber-gab-MD #PBS -q dque #PBS -l nodes=1:ppn=8 -# #PBS -l mem=2gb #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/MD/Berendsen/ff_gab/unres.csh b/examples/unres/MD/Berendsen/ff_gab/unres.csh index 2652ea2..aab7235 100755 --- a/examples/unres/MD/Berendsen/ff_gab/unres.csh +++ b/examples/unres/MD/Berendsen/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_MD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_000.rst 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7 + 330000 66000.00 35.698 -34.570 1.128 4.78 0.357 0.375 0.182 1.314 323.874 300.000 9.193 7 + 340000 68000.00 40.251 -32.374 7.877 3.83 0.429 0.571 0.425 2.342 365.178 300.000 6.634 7 + 350000 70000.00 32.079 -45.335 -13.256 3.28 0.357 0.444 0.313 1.736 291.042 300.000 6.751 7 + 360000 72000.00 33.268 -35.757 -2.488 3.83 0.429 0.667 0.379 1.928 301.829 300.000 6.735 7 + 370000 74000.00 22.437 -45.165 -22.728 3.83 0.357 0.545 0.442 1.658 203.558 300.000 7.213 7 + 380000 76000.00 35.319 -40.107 -4.788 3.62 0.143 0.857 0.328 2.529 320.432 300.000 6.787 7 + 390000 78000.00 33.672 -40.962 -7.291 4.31 0.357 0.688 0.423 2.408 305.487 300.000 6.600 7 + 400000 80000.00 36.362 -32.668 3.693 4.19 0.286 0.789 0.464 2.078 329.893 300.000 6.285 7 + 410000 82000.00 36.287 -35.761 0.526 2.99 0.357 0.500 0.286 3.411 329.214 300.000 7.018 7 + 420000 84000.00 36.064 -31.137 4.927 3.74 0.357 0.643 0.377 1.657 327.191 300.000 6.636 7 + 430000 86000.00 38.928 -43.506 -4.577 4.20 0.214 0.750 0.481 1.374 353.176 300.000 6.803 7 + 440000 88000.00 36.010 -48.833 -12.823 2.78 0.500 0.588 0.243 2.100 326.699 300.000 6.743 7 + 450000 90000.00 37.504 -38.140 -0.636 2.60 0.214 0.667 0.207 1.093 340.259 300.000 7.013 7 + 460000 92000.00 23.350 -36.660 -13.311 3.36 0.429 0.455 0.335 1.784 211.839 300.000 7.098 7 + 470000 94000.00 36.030 -43.837 -7.807 3.66 0.286 0.556 0.439 1.601 326.886 300.000 6.840 7 + 480000 96000.00 33.441 -35.853 -2.411 4.04 0.214 0.700 0.218 1.961 303.396 300.000 7.464 7 + 490000 98000.00 27.999 -45.918 -17.919 6.62 0.286 0.636 0.227 2.181 254.022 300.000 7.650 7 + 500000 100000.00 31.109 -37.087 -5.979 4.47 0.143 0.800 0.273 1.173 282.233 300.000 6.957 7 + 510000 102000.00 30.769 -41.161 -10.392 4.26 0.143 0.846 0.402 1.689 279.156 300.000 6.887 7 + 520000 104000.00 29.396 -41.118 -11.722 3.80 0.214 0.700 0.382 1.241 266.697 300.000 6.593 7 + 530000 106000.00 38.163 -48.905 -10.742 3.92 0.357 0.643 0.377 2.012 346.238 300.000 6.458 7 + 540000 108000.00 37.077 -47.625 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6.556 7 + 970000 194000.00 31.962 -41.044 -9.082 2.17 0.357 0.583 0.231 2.358 289.978 300.000 7.021 7 + 980000 196000.00 30.295 -28.060 2.235 3.19 0.143 0.800 0.295 1.359 274.852 300.000 7.022 7 + 990000 198000.00 36.622 -24.658 11.964 4.70 0.214 0.625 0.182 2.505 332.257 300.000 8.646 7 + 1000000 200000.00 36.419 -38.379 -1.961 3.52 0.214 0.700 0.209 1.691 330.410 300.000 7.731 7 diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD000.cx b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD000.cx index 0514d6a..0e85fc1 100644 Binary files a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD000.cx and b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD000.cx differ diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD001.cx b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD001.cx index 8bf1c07..3155fd0 100644 Binary files a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD001.cx and b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD001.cx differ diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD002.cx b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD002.cx index 65b3ada..e407d78 100644 Binary files a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD002.cx and b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD002.cx differ diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD003.cx b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD003.cx index a9890c3..09b385a 100644 Binary files a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD003.cx and b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD003.cx differ diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD004.cx b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD004.cx index bc79fce..891dba3 100644 Binary files a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD004.cx and b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD004.cx differ diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD005.cx b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD005.cx index ce77ff4..95a41d9 100644 Binary files a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD005.cx and b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD005.cx differ diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD006.cx b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD006.cx index eca6116..368a29d 100644 Binary files a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD006.cx and b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD006.cx differ diff --git a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD007.cx b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD007.cx index 0202d32..d169081 100644 Binary files a/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD007.cx and b/examples/unres/MD/Langevin/ff_gab/outputs/1L2Y_MD_MD007.cx differ diff --git a/examples/unres/MD/Langevin/ff_gab/start.mat b/examples/unres/MD/Langevin/ff_gab/start.mat index 1ec5938..d5894c7 100755 --- a/examples/unres/MD/Langevin/ff_gab/start.mat +++ b/examples/unres/MD/Langevin/ff_gab/start.mat @@ -1,7 +1,6 @@ #PBS -N Lang-gab-MD #PBS -q dque #PBS -l nodes=1:ppn=8 -# #PBS -l mem=2gb #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/MD/Langevin/ff_gab/unres.csh b/examples/unres/MD/Langevin/ff_gab/unres.csh index 2652ea2..aab7235 100755 --- a/examples/unres/MD/Langevin/ff_gab/unres.csh +++ b/examples/unres/MD/Langevin/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_MD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_000.rst b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_000.rst index f60ed2e..14aefd9 100644 --- a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_000.rst +++ 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-0.761 38.087712 6.20 0.214 0.769 0.420 0.586 283.217 300.000 7.092 7 + 20000 2000.00 34.073 -34.831 -0.758 46.781367 6.30 0.143 0.867 0.412 0.402 309.125 300.000 7.221 7 + 30000 3000.00 30.861 -20.418 10.443 53.931760 6.70 0.000 1.000 0.409 0.640 279.988 300.000 7.087 7 + 40000 4000.00 27.409 -38.865 -11.455 71.624243 6.04 0.214 0.727 0.405 0.572 248.670 300.000 7.232 7 + 50000 5000.00 40.290 -33.277 7.014 108.889377 6.43 0.214 0.700 0.523 0.453 365.536 300.000 6.995 7 + 60000 6000.00 34.948 -38.626 -3.678 116.323603 5.84 0.214 0.700 0.345 0.605 317.068 300.000 6.942 7 + 70000 7000.00 33.579 -34.237 -0.657 127.217080 5.80 0.143 0.714 0.455 0.514 304.650 300.000 7.037 7 + 80000 8000.00 32.000 -32.715 -0.714 139.995726 5.14 0.214 0.625 0.460 0.913 290.322 300.000 6.979 7 + 90000 9000.00 42.873 -36.047 6.826 156.499364 6.37 0.357 0.722 0.354 0.806 388.965 300.000 6.787 7 + 100000 10000.00 40.187 -34.905 5.282 172.910506 6.03 0.214 0.812 0.332 0.860 364.601 300.000 6.437 7 + 110000 11000.00 29.720 -52.502 -22.782 190.154257 4.75 0.214 0.667 0.278 0.566 269.638 300.000 7.016 7 + 120000 12000.00 27.379 -44.308 -16.929 207.427895 5.36 0.286 0.600 0.250 0.441 248.399 300.000 7.329 7 + 130000 13000.00 30.398 -44.871 -14.473 232.657379 4.34 0.429 0.538 0.245 0.788 275.787 300.000 6.830 7 + 140000 14000.00 32.125 -35.040 -2.915 246.543268 5.71 0.286 0.714 0.334 1.053 291.457 300.000 6.936 7 + 150000 15000.00 27.615 -52.054 -24.439 269.601346 6.43 0.214 0.812 0.364 0.591 250.535 300.000 6.701 7 + 160000 16000.00 36.388 -51.401 -15.013 299.426549 5.11 0.286 0.733 0.379 0.706 330.132 300.000 6.793 7 + 170000 17000.00 38.108 -40.547 -2.439 307.225884 4.77 0.214 0.667 0.283 0.867 345.737 300.000 7.303 7 + 180000 18000.00 36.117 -39.091 -2.974 312.778470 5.51 0.071 0.833 0.258 0.849 327.674 300.000 6.979 7 + 190000 19000.00 24.809 -37.808 -12.999 322.128101 4.90 0.286 0.636 0.355 0.977 225.079 300.000 6.914 7 + 200000 20000.00 35.948 -44.451 -8.503 324.810312 5.13 0.286 0.667 0.212 0.757 326.137 300.000 7.170 7 + 210000 21000.00 35.140 -44.893 -9.753 319.169810 5.29 0.214 0.786 0.341 0.747 318.813 300.000 6.657 7 + 220000 22000.00 37.069 -36.292 0.777 345.173635 5.86 0.286 0.600 0.295 0.653 336.306 300.000 6.824 7 + 230000 23000.00 26.085 -41.951 -15.866 346.777226 4.90 0.286 0.692 0.392 0.770 236.656 300.000 7.028 7 + 240000 24000.00 31.992 -42.969 -10.976 365.762548 5.71 0.214 0.812 0.324 0.687 290.252 300.000 6.673 7 + 250000 25000.00 20.570 -35.616 -15.046 405.401098 4.56 0.214 0.625 0.273 0.434 186.620 300.000 7.407 7 + 260000 26000.00 31.952 -37.077 -5.125 415.696412 4.66 0.214 0.667 0.354 0.736 289.884 300.000 7.119 7 + 270000 27000.00 35.352 -36.612 -1.260 425.872413 5.90 0.071 0.889 0.293 0.686 320.734 300.000 7.296 7 + 280000 28000.00 27.624 -40.550 -12.925 436.039167 4.75 0.286 0.600 0.355 0.595 250.623 300.000 7.094 7 + 290000 29000.00 30.931 -35.314 -4.383 462.010905 4.96 0.429 0.571 0.305 0.977 280.619 300.000 6.988 7 + 300000 30000.00 29.953 -40.353 -10.399 474.953969 6.08 0.214 0.769 0.189 0.683 271.753 300.000 7.169 7 + 310000 31000.00 39.264 -38.236 1.029 486.443939 5.80 0.286 0.714 0.312 0.631 356.228 300.000 6.782 7 + 320000 32000.00 31.497 -47.020 -15.523 493.240741 6.80 0.286 0.733 0.270 0.731 285.754 300.000 6.745 7 + 330000 33000.00 40.124 -41.393 -1.269 503.659918 6.00 0.214 0.667 0.237 0.530 364.025 300.000 6.626 7 + 340000 34000.00 38.304 -36.125 2.179 513.908846 5.33 0.071 0.889 0.187 1.470 347.515 300.000 8.385 7 + 350000 35000.00 33.900 -39.320 -5.420 529.468285 3.30 0.357 0.583 0.333 0.640 307.557 300.000 6.822 7 + 360000 36000.00 29.038 -41.360 -12.322 547.053327 2.77 0.429 0.571 0.390 0.416 263.446 300.000 6.645 7 + 370000 37000.00 27.573 -36.376 -8.803 550.614830 5.18 0.357 0.667 0.212 0.353 250.157 300.000 7.040 7 + 380000 38000.00 28.725 -35.831 -7.105 582.493618 5.54 0.143 0.714 0.182 0.691 260.608 300.000 7.701 7 + 390000 39000.00 38.747 -36.569 2.178 585.465203 5.89 0.214 0.625 0.165 0.832 351.531 300.000 8.765 7 + 400000 40000.00 24.830 -38.785 -13.955 592.187361 6.35 0.143 0.800 0.232 0.569 225.267 300.000 7.218 7 + 410000 41000.00 35.178 -42.859 -7.681 606.370537 3.15 0.214 0.800 0.309 0.702 319.152 300.000 6.816 7 + 420000 42000.00 30.615 -38.018 -7.403 616.576574 2.73 0.286 0.556 0.323 0.413 277.756 300.000 6.883 7 + 430000 43000.00 30.021 -46.868 -16.848 625.341944 3.79 0.214 0.812 0.349 0.695 272.362 300.000 6.612 7 + 440000 44000.00 32.569 -43.379 -10.810 636.738833 6.51 0.143 0.750 0.182 1.670 295.487 300.000 8.679 7 + 450000 45000.00 35.758 -33.409 2.349 648.414209 6.81 0.071 0.750 0.148 0.920 324.415 300.000 8.512 7 + 460000 46000.00 34.704 -30.530 4.174 655.407133 7.17 0.143 0.714 0.182 1.656 314.855 300.000 9.237 7 + 470000 47000.00 28.452 -36.739 -8.287 656.885705 6.78 0.143 0.750 0.205 0.785 258.133 300.000 7.064 7 + 480000 48000.00 33.325 -36.653 -3.328 661.700780 5.17 0.214 0.700 0.209 0.869 302.342 300.000 8.608 7 + 490000 49000.00 31.744 -41.078 -9.334 676.308257 5.97 0.143 0.778 0.328 0.765 287.994 300.000 7.167 7 + 500000 50000.00 33.809 -42.248 -8.438 679.536191 5.26 0.214 0.769 0.322 0.546 306.734 300.000 7.178 7 + 510000 51000.00 35.881 -42.061 -6.180 689.319999 4.95 0.500 0.417 0.333 0.565 325.533 300.000 6.967 7 + 520000 52000.00 30.167 -40.585 -10.418 696.324730 4.93 0.357 0.545 0.318 1.308 273.693 300.000 6.901 7 + 530000 53000.00 31.455 -30.556 0.899 717.914312 4.68 0.214 0.625 0.188 0.539 285.374 300.000 7.244 7 + 540000 54000.00 29.721 -32.423 -2.702 728.057961 4.79 0.214 0.625 0.216 0.557 269.643 300.000 7.767 7 + 550000 55000.00 35.517 -39.667 -4.150 758.830420 5.93 0.143 0.750 0.261 0.781 322.227 300.000 7.241 7 + 560000 56000.00 34.757 -35.333 -0.576 767.141006 4.85 0.214 0.750 0.269 0.781 315.336 300.000 7.346 7 + 570000 57000.00 26.817 -40.759 -13.941 769.492282 5.16 0.143 0.778 0.232 0.513 243.301 300.000 7.420 7 + 580000 58000.00 30.122 -42.435 -12.313 796.246066 5.67 0.286 0.667 0.261 0.614 273.281 300.000 6.714 7 + 590000 59000.00 37.528 -35.412 2.115 826.145608 5.53 0.286 0.714 0.312 0.859 340.470 300.000 6.419 7 + 600000 60000.00 32.831 -46.144 -13.313 828.785854 5.03 0.357 0.583 0.242 0.913 297.860 300.000 6.806 7 + 610000 61000.00 40.507 -35.485 5.023 843.209798 5.47 0.214 0.700 0.377 0.831 367.504 300.000 7.097 7 + 620000 62000.00 34.861 -42.877 -8.016 851.835821 6.19 0.214 0.700 0.250 0.590 316.275 300.000 6.857 7 + 630000 63000.00 39.966 -39.587 0.379 867.024803 4.56 0.214 0.571 0.162 0.668 362.590 300.000 7.586 7 + 640000 64000.00 32.111 -50.604 -18.493 875.034150 6.62 0.214 0.750 0.280 0.701 291.325 300.000 6.635 7 + 650000 65000.00 38.226 -49.005 -10.779 876.011944 6.82 0.214 0.727 0.335 1.256 346.805 300.000 6.900 7 + 660000 66000.00 30.288 -43.513 -13.225 876.681545 6.91 0.143 0.818 0.264 0.798 274.793 300.000 6.940 7 + 670000 67000.00 38.862 -34.713 4.149 896.979126 5.03 0.214 0.667 0.359 0.968 352.578 300.000 7.524 7 + 680000 68000.00 32.650 -28.709 3.941 908.215573 5.53 0.071 0.750 0.159 0.935 296.215 300.000 9.138 7 + 690000 69000.00 32.189 -40.577 -8.388 926.872565 8.31 0.286 0.500 0.165 0.653 292.035 300.000 11.364 7 + 700000 70000.00 34.872 -34.594 0.277 947.547443 3.60 0.286 0.500 0.199 1.117 316.374 300.000 7.596 7 + 710000 71000.00 23.074 -34.820 -11.746 960.287554 4.53 0.071 0.909 0.285 0.432 209.339 300.000 7.020 7 + 720000 72000.00 27.113 -27.129 -0.016 979.887408 3.34 0.357 0.583 0.216 0.903 245.985 300.000 6.951 7 + 730000 73000.00 35.626 -37.648 -2.021 991.668208 4.72 0.143 0.714 0.318 0.601 323.219 300.000 7.573 7 + 740000 74000.00 31.950 -36.676 -4.726 1007.222038 4.26 0.286 0.667 0.326 0.394 289.865 300.000 7.416 7 + 750000 75000.00 34.298 -42.507 -8.210 1015.337754 5.14 0.286 0.714 0.338 0.484 311.168 300.000 7.079 7 + 760000 76000.00 37.613 -32.231 5.383 1032.210363 3.87 0.357 0.444 0.394 0.893 341.247 300.000 7.223 7 + 770000 77000.00 32.329 -40.927 -8.598 1046.775418 4.77 0.357 0.545 0.376 1.197 293.309 300.000 6.969 7 + 780000 78000.00 35.644 -42.756 -7.111 1068.680922 4.41 0.357 0.615 0.308 0.792 323.382 300.000 6.973 7 + 790000 79000.00 38.842 -42.143 -3.301 1087.584375 4.20 0.071 0.917 0.333 1.079 352.395 300.000 7.062 7 + 800000 80000.00 30.251 -42.462 -12.210 1095.598846 4.24 0.214 0.750 0.295 0.584 274.455 300.000 6.839 7 + 810000 81000.00 26.596 -43.100 -16.504 1110.865702 4.03 0.286 0.500 0.318 0.408 241.288 300.000 7.230 7 + 820000 82000.00 36.144 -43.003 -6.859 1117.646765 4.35 0.286 0.692 0.297 0.460 327.920 300.000 6.762 7 + 830000 83000.00 32.809 -39.809 -7.000 1140.133102 4.43 0.071 0.900 0.314 1.283 297.663 300.000 7.054 7 + 840000 84000.00 27.649 -38.267 -10.617 1146.666224 5.00 0.214 0.625 0.216 0.940 250.850 300.000 7.602 7 + 850000 85000.00 32.039 -49.499 -17.460 1149.808890 3.00 0.214 0.700 0.373 0.564 290.676 300.000 6.980 7 + 860000 86000.00 33.566 -42.391 -8.824 1168.620369 2.39 0.643 0.471 0.321 0.516 304.529 300.000 6.747 7 + 870000 87000.00 32.948 -45.051 -12.103 1182.368313 5.90 0.214 0.700 0.209 0.749 298.920 300.000 8.069 7 + 880000 88000.00 25.647 -44.737 -19.090 1197.480382 4.40 0.286 0.714 0.377 0.660 232.686 300.000 6.710 7 + 890000 89000.00 30.794 -38.886 -8.091 1210.127352 5.77 0.286 0.667 0.235 0.659 279.383 300.000 7.012 7 + 900000 90000.00 27.553 -37.901 -10.348 1217.661102 6.26 0.357 0.583 0.261 0.610 249.978 300.000 7.033 7 + 910000 91000.00 30.065 -45.464 -15.399 1231.377393 4.31 0.286 0.556 0.374 0.670 272.769 300.000 7.136 7 + 920000 92000.00 32.332 -30.777 1.555 1230.324771 4.51 0.357 0.615 0.290 0.343 293.333 300.000 7.223 7 + 930000 93000.00 32.844 -49.639 -16.796 1247.167223 6.18 0.214 0.786 0.331 0.600 297.976 300.000 6.656 7 + 940000 94000.00 33.053 -39.705 -6.652 1257.122280 5.61 0.286 0.714 0.380 0.630 299.873 300.000 7.031 7 + 950000 95000.00 27.888 -45.397 -17.510 1270.912968 4.98 0.357 0.615 0.252 0.959 253.012 300.000 7.124 7 + 960000 96000.00 34.133 -46.357 -12.224 1288.630131 5.65 0.429 0.600 0.345 0.617 309.670 300.000 6.751 7 + 970000 97000.00 40.580 -48.784 -8.204 1303.450014 5.83 0.429 0.538 0.329 0.450 368.165 300.000 6.711 7 + 980000 98000.00 28.509 -36.386 -7.877 1316.337908 5.88 0.214 0.727 0.256 0.638 258.650 300.000 6.987 7 + 990000 99000.00 36.163 -44.199 -8.036 1329.289795 5.50 0.286 0.667 0.409 1.010 328.093 300.000 6.771 7 + 1000000 100000.00 34.630 -35.309 -0.680 1351.398794 5.08 0.357 0.643 0.367 1.142 314.181 300.000 6.839 7 diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD000.cx b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD000.cx index 0cb2c53..0b579cf 100644 Binary files a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD000.cx and b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD000.cx differ diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD001.cx b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD001.cx index 4d5a809..4cfe7aa 100644 Binary files a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD001.cx and b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD001.cx differ diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD002.cx b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD002.cx index 38fb6a4..8466bef 100644 Binary files a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD002.cx and b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD002.cx differ diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD003.cx b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD003.cx index 9b55428..0e3c60f 100644 Binary files a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD003.cx and b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD003.cx differ diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD004.cx b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD004.cx index a3e1cf2..72b36f0 100644 Binary files a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD004.cx and b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD004.cx differ diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD005.cx b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD005.cx index e453dd8..797b8ef 100644 Binary files a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD005.cx and b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD005.cx differ diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD006.cx b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD006.cx index 460e50f..040d186 100644 Binary files a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD006.cx and b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD006.cx differ diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD007.cx b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD007.cx index 294e1dc..72d6c3f 100644 Binary files a/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD007.cx and b/examples/unres/MD/Nose_Hoover/ff_gab/outputs/1L2Y_MD_MD007.cx differ diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/start.mat b/examples/unres/MD/Nose_Hoover/ff_gab/start.mat index fa3c7f7..d4f858d 100755 --- a/examples/unres/MD/Nose_Hoover/ff_gab/start.mat +++ b/examples/unres/MD/Nose_Hoover/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N Nose-gab-MD +#PBS -N NH-gab-MD #PBS -q dque #PBS -l nodes=1:ppn=8 -# #PBS -l mem=2gb #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/MD/Nose_Hoover/ff_gab/unres.csh b/examples/unres/MD/Nose_Hoover/ff_gab/unres.csh index 2652ea2..aab7235 100755 --- a/examples/unres/MD/Nose_Hoover/ff_gab/unres.csh +++ b/examples/unres/MD/Nose_Hoover/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_MD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/1L2Y_micro.inp b/examples/unres/MD/microcanonical/RESPA/ff_gab/1L2Y_micro.inp index 7f02621..bfdda5c 100644 --- a/examples/unres/MD/microcanonical/RESPA/ff_gab/1L2Y_micro.inp +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/1L2Y_micro.inp @@ -7,7 +7,7 @@ WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & WVDWPP=0.11371 WHPB=1.00000 & CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 -../../../1L2Y.pdb +../../../../1L2Y.pdb 22 D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO SER D diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro.out_GB000 b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro.out_GB000 index de914f4..a084cc9 100644 --- a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro.out_GB000 +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_micro.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -147,8 +136,9 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 -PDB data will be read from file ../../../1L2Y.pdb + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 +PDB data will be read from file ../../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 @@ -306,7 +296,7 @@ Mesoscopic molecular dynamics (MD) calculation. 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 7.350442094070002E-018 -1.983088023295969E-017 2.245968417632500E-018 + 2.450147364690000E-018 3.126490126817969E-017 6.737905252897502E-018 alpha-carbon coordinates centroid coordinates @@ -346,63 +336,63 @@ TRP 7 3.800 84.466 51.434 2.605 152.178 38.024 LEU 8 3.800 83.945 53.508 1.939 159.052 179.471 LYS 9 3.800 85.396 60.569 2.541 100.558 -73.090 ASP 10 3.800 91.449 44.177 1.709 139.961 -144.797 -GLY 11 3.800 94.602 67.604 0.000 180.000 180.000 -GLY 12 3.800 101.862 -72.814 0.000 180.000 180.000 +GLY 11 3.800 94.602 67.604 0.000 0.000 180.000 +GLY 12 3.800 101.862 -72.814 0.000 0.000 180.000 PRO 13 3.800 119.363 -61.916 1.345 117.453 -133.163 SER 14 3.800 94.363 -75.894 1.150 137.025 -106.659 SER 15 3.800 96.264 67.358 1.150 146.290 -130.306 -GLY 16 3.800 138.119 129.701 0.000 180.000 180.000 +GLY 16 3.800 138.119 129.701 0.000 0.000 180.000 ARG 17 3.800 96.299 -95.571 3.020 93.901 -102.747 PRO 18 3.800 129.702 63.972 1.345 101.025 -111.641 PRO 19 3.800 109.445 -74.504 1.345 113.043 -122.045 PRO 20 3.800 106.349 -122.306 1.345 93.777 -102.374 SER 21 3.800 106.042 -134.605 1.150 153.835 -143.303 -D 22 3.800 108.718 92.113 0.000 180.000 180.000 +D 22 3.800 108.718 92.113 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -4.436790E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 5.228224E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -1.132072E+02 WEIGHT= 7.153400D-01 (p-p) -EVDWPP= 2.375178E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 6.779273E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= -1.651995E+01 WEIGHT= 1.138730D+00 (bending) -ESC= 7.185904E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 8.243370E+00 WEIGHT= 1.985990D+00 (torsional) -ETORSD= 2.390466E+00 WEIGHT= 1.570690D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -8.338619E+01 WEIGHT= 4.288700D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= -5.753258E+00 WEIGHT= 1.603600D-01 (electrostatic-local) -ETURN3= 1.901845E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) -ETURN4= -7.304754E+00 WEIGHT= 6.623000D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -4.954316E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 5.228224E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -1.132072E+02 WEIGHT= 7.153400E-01 (p-p) +EVDWPP= 2.375178E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 6.779273E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= -1.651995E+01 WEIGHT= 1.138730E+00 (bending) +ESC= 7.185904E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 8.243370E+00 WEIGHT= 1.985990E+00 (torsional) +ETORSD= 2.390466E+00 WEIGHT= 1.570690E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -8.338619E+01 WEIGHT= 4.288700E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= -5.753258E+00 WEIGHT= 1.603600E-01 (electrostatic-local) +ETURN3= 1.901845E+01 WEIGHT= 1.687220E+00 (turns, 3rd order) +ETURN4= -7.304754E+00 WEIGHT= 6.623000E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= -5.145065E+01 (total) +ETOT= -5.845168E+01 (total) Initial: Kinetic energy 3.24616E+01 - potential energy -5.14506E+01 - total energy -1.89891E+01 + potential energy -5.84517E+01 + total energy -2.59901E+01 - maximum acceleration 1.98994E-01 + maximum acceleration 2.04223E-01 =================================== Timing =================================== MD calculations setup: 3.90625E-03 - Energy & gradient evaluation: 3.78512E+02 + Energy & gradient evaluation: 3.39035E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.12785E+02 + MD steps: 3.59645E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 419.316406250000 sec + Total wall clock time 364.515625000000 sec diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_000.rst b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_000.rst index 8549144..6cb8ac6 100644 --- a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_000.rst +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_000.rst @@ -1,90 +1,90 @@ - 10000.0000001719 27.3183029506630 -46.3045942223490 - -18.9862912716860 300.000000000000 + 10000.0000001719 28.0182283411768 -54.0094568902432 + -25.9912285490663 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - -0.13871E+00 0.68484E-01 0.35853E+00 - -0.17004E+00 -0.79889E-01 -0.81270E-02 - 0.26278E+00 0.31986E-01 -0.14296E+00 - -0.19319E+00 0.14474E+00 0.18473E+00 - 0.89070E-02 -0.14378E+00 -0.11039E+00 - 0.41847E-01 0.45727E-01 0.12867E+00 - -0.29618E-02 0.62489E-01 -0.12692E+00 - -0.37272E-01 -0.29935E-02 -0.33392E-01 - 0.10647E+00 0.19382E+00 -0.19519E+00 - -0.45127E-01 -0.22661E+00 0.16255E+00 - 0.18184E-01 -0.12199E+00 -0.23981E-02 - 0.22142E+00 -0.14483E+00 -0.51509E-01 - -0.42765E+00 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690000 6900.00 27.565 -53.555 -25.990 2.65 0.500 0.500 0.334 0.108 250.083 300.000 7.101 0 + 700000 7000.00 22.872 -48.862 -25.990 2.48 0.214 0.700 0.350 0.073 207.505 300.000 7.242 0 + 710000 7100.00 24.552 -50.542 -25.989 3.75 0.286 0.692 0.371 0.035 222.751 300.000 6.868 0 + 720000 7200.00 27.116 -53.106 -25.990 3.85 0.357 0.667 0.336 0.069 246.008 300.000 6.937 0 + 730000 7300.00 28.303 -54.293 -25.990 2.71 0.214 0.667 0.318 0.066 256.779 300.000 7.056 0 + 740000 7400.00 29.494 -55.484 -25.990 3.03 0.429 0.538 0.311 0.072 267.586 300.000 6.991 0 + 750000 7500.00 23.511 -49.501 -25.990 3.00 0.500 0.533 0.327 0.058 213.302 300.000 7.033 0 + 760000 7600.00 24.925 -50.915 -25.989 3.12 0.357 0.545 0.438 0.038 226.137 300.000 7.141 0 + 770000 7700.00 25.032 -51.022 -25.990 3.48 0.357 0.615 0.371 0.050 227.107 300.000 6.888 0 + 780000 7800.00 26.575 -52.565 -25.990 3.06 0.429 0.500 0.386 0.070 241.098 300.000 7.110 0 + 790000 7900.00 22.880 -48.870 -25.989 3.27 0.357 0.615 0.273 0.064 207.583 300.000 7.173 0 + 800000 8000.00 30.246 -56.236 -25.990 2.04 0.357 0.545 0.364 0.044 274.408 300.000 6.804 0 + 810000 8100.00 29.793 -55.782 -25.989 2.54 0.500 0.667 0.342 0.040 270.296 300.000 6.419 0 + 820000 8200.00 27.292 -53.282 -25.990 2.62 0.357 0.706 0.361 0.056 247.611 300.000 6.228 0 + 830000 8300.00 29.283 -55.272 -25.989 2.09 0.500 0.588 0.265 0.046 265.674 300.000 6.725 0 + 840000 8400.00 25.868 -51.858 -25.990 2.62 0.214 0.800 0.303 0.129 234.689 300.000 6.621 0 + 850000 8500.00 31.770 -57.759 -25.989 2.24 0.500 0.533 0.291 0.050 288.232 300.000 6.550 0 + 860000 8600.00 35.096 -61.085 -25.990 2.23 0.500 0.650 0.345 0.034 318.405 300.000 6.483 0 + 870000 8700.00 23.767 -49.755 -25.988 1.88 0.429 0.647 0.345 0.036 215.629 300.000 6.722 0 + 880000 8800.00 30.590 -56.579 -25.989 3.03 0.214 0.800 0.345 0.035 277.530 300.000 6.459 0 + 890000 8900.00 32.726 -58.716 -25.990 2.08 0.286 0.714 0.276 0.061 296.909 300.000 6.522 0 + 900000 9000.00 27.702 -53.691 -25.988 2.31 0.429 0.538 0.346 0.035 251.327 300.000 6.611 0 + 910000 9100.00 29.400 -55.388 -25.987 2.22 0.500 0.632 0.347 0.045 266.737 300.000 6.465 0 + 920000 9200.00 27.610 -53.597 -25.988 2.24 0.571 0.467 0.321 0.037 250.488 300.000 6.490 0 + 930000 9300.00 26.781 -52.769 -25.988 2.61 0.429 0.538 0.294 0.065 242.969 300.000 6.615 0 + 940000 9400.00 26.897 -52.885 -25.988 2.42 0.571 0.600 0.320 0.079 244.021 300.000 6.448 0 + 950000 9500.00 27.307 -53.295 -25.987 2.42 0.571 0.636 0.316 0.068 247.748 300.000 6.565 0 + 960000 9600.00 31.410 -57.398 -25.988 2.45 0.357 0.722 0.323 0.107 284.967 300.000 6.520 0 + 970000 9700.00 29.051 -55.039 -25.988 2.42 0.429 0.625 0.287 0.056 263.566 300.000 6.494 0 + 980000 9800.00 32.065 -58.054 -25.989 2.21 0.500 0.632 0.285 0.060 290.911 300.000 6.559 0 + 990000 9900.00 32.500 -58.490 -25.990 2.64 0.500 0.650 0.377 0.086 294.858 300.000 6.272 0 + 1000000 10000.00 28.018 -54.009 -25.991 1.96 0.571 0.500 0.315 0.075 254.196 300.000 6.665 0 diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB001.stat b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB001.stat index fc6e0b2..722b4ea 100644 --- a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB001.stat +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB001.stat @@ -1,101 +1,101 @@ - 0 0.00 30.478 -51.451 -20.973 2.26 0.786 0.476 0.357 0.199 276.511 300.000 6.690 1 - 10000 100.00 27.582 -48.552 -20.970 1.91 0.571 0.529 0.342 0.046 250.234 300.000 6.737 1 - 20000 200.00 25.107 -46.077 -20.970 1.84 0.643 0.471 0.297 0.041 227.785 300.000 6.670 1 - 30000 300.00 29.623 -50.595 -20.972 1.83 0.571 0.556 0.331 0.067 268.754 300.000 6.729 1 - 40000 400.00 26.592 -47.562 -20.971 2.52 0.357 0.667 0.258 0.082 241.254 300.000 6.710 1 - 50000 500.00 26.817 -47.788 -20.971 1.96 0.643 0.400 0.270 0.105 243.294 300.000 6.780 1 - 60000 600.00 28.503 -49.476 -20.972 2.35 0.571 0.467 0.264 0.054 258.596 300.000 6.696 1 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300.000 6.623 1 - 180000 1800.00 26.442 -47.414 -20.973 2.83 0.429 0.538 0.294 0.071 239.893 300.000 6.785 1 - 190000 1900.00 27.221 -48.193 -20.972 2.72 0.571 0.500 0.227 0.045 246.967 300.000 6.897 1 - 200000 2000.00 27.260 -48.232 -20.973 2.32 0.357 0.615 0.255 0.073 247.313 300.000 6.968 1 - 210000 2100.00 26.052 -47.025 -20.973 3.51 0.286 0.733 0.306 0.073 236.360 300.000 6.800 1 - 220000 2200.00 27.807 -48.780 -20.973 3.03 0.500 0.562 0.284 0.060 252.277 300.000 6.421 1 - 230000 2300.00 28.466 -49.440 -20.974 3.92 0.286 0.692 0.294 0.064 258.260 300.000 6.721 1 - 240000 2400.00 24.137 -45.108 -20.972 2.77 0.500 0.611 0.338 0.034 218.981 300.000 6.690 1 - 250000 2500.00 29.160 -50.132 -20.972 2.31 0.429 0.600 0.324 0.057 264.557 300.000 6.602 1 - 260000 2600.00 25.190 -46.162 -20.972 3.06 0.571 0.429 0.308 0.076 228.536 300.000 6.503 1 - 270000 2700.00 25.843 -46.816 -20.973 3.32 0.500 0.533 0.294 0.060 234.463 300.000 6.728 1 - 280000 2800.00 27.645 -48.618 -20.973 3.76 0.500 0.611 0.348 0.125 250.806 300.000 6.631 1 - 290000 2900.00 25.783 -46.755 -20.972 3.83 0.429 0.500 0.284 0.045 233.921 300.000 7.001 1 - 300000 3000.00 25.108 -46.079 -20.971 2.92 0.429 0.538 0.301 0.032 227.790 300.000 6.896 1 - 310000 3100.00 23.218 -44.190 -20.972 2.92 0.357 0.545 0.219 0.051 210.647 300.000 6.667 1 - 320000 3200.00 26.334 -47.307 -20.973 2.50 0.500 0.417 0.258 0.055 238.913 300.000 7.077 1 - 330000 3300.00 30.698 -51.670 -20.972 2.87 0.429 0.571 0.295 0.053 278.509 300.000 6.681 1 - 340000 3400.00 25.628 -46.601 -20.973 3.19 0.429 0.500 0.303 0.090 232.512 300.000 6.544 1 - 350000 3500.00 26.624 -47.596 -20.972 3.03 0.429 0.625 0.335 0.084 241.548 300.000 6.746 1 - 360000 3600.00 25.596 -46.568 -20.972 2.83 0.429 0.538 0.346 0.064 232.220 300.000 6.938 1 - 370000 3700.00 24.932 -45.904 -20.972 2.90 0.429 0.455 0.207 0.067 226.197 300.000 7.296 1 - 380000 3800.00 26.752 -47.725 -20.973 4.29 0.357 0.643 0.412 0.059 242.707 300.000 6.878 1 - 390000 3900.00 26.994 -47.966 -20.971 3.13 0.357 0.615 0.297 0.083 244.907 300.000 6.957 1 - 400000 4000.00 28.432 -49.406 -20.974 3.31 0.357 0.667 0.345 0.069 257.946 300.000 6.964 1 - 410000 4100.00 28.388 -49.362 -20.974 3.20 0.357 0.688 0.310 0.048 257.551 300.000 6.623 1 - 420000 4200.00 21.451 -42.424 -20.972 2.89 0.429 0.647 0.299 0.053 194.617 300.000 6.679 1 - 430000 4300.00 31.712 -52.687 -20.975 2.30 0.429 0.600 0.264 0.040 287.712 300.000 6.912 1 - 440000 4400.00 25.304 -46.276 -20.972 2.87 0.429 0.600 0.327 0.056 229.573 300.000 6.855 1 - 450000 4500.00 28.301 -49.273 -20.972 2.64 0.357 0.688 0.304 0.063 256.759 300.000 6.816 1 - 460000 4600.00 30.300 -51.273 -20.973 2.94 0.571 0.556 0.275 0.046 274.897 300.000 6.891 1 - 470000 4700.00 26.607 -47.580 -20.973 3.42 0.357 0.583 0.330 0.044 241.394 300.000 6.772 1 - 480000 4800.00 28.917 -49.890 -20.973 3.20 0.429 0.625 0.324 0.130 262.347 300.000 6.873 1 - 490000 4900.00 31.378 -52.351 -20.973 2.96 0.500 0.500 0.347 0.061 284.682 300.000 6.814 1 - 500000 5000.00 31.195 -52.167 -20.973 3.62 0.357 0.667 0.303 0.094 283.013 300.000 6.896 1 - 510000 5100.00 22.911 -43.885 -20.973 2.45 0.500 0.562 0.241 0.055 207.864 300.000 6.924 1 - 520000 5200.00 23.460 -44.432 -20.972 2.35 0.500 0.500 0.286 0.056 212.839 300.000 6.649 1 - 530000 5300.00 24.392 -45.365 -20.973 2.93 0.500 0.533 0.285 0.074 221.297 300.000 6.690 1 - 540000 5400.00 19.704 -40.676 -20.971 2.19 0.571 0.467 0.370 0.054 178.769 300.000 6.623 1 - 550000 5500.00 29.184 -50.157 -20.973 2.19 0.500 0.533 0.345 0.062 264.771 300.000 6.590 1 - 560000 5600.00 24.420 -45.392 -20.972 2.52 0.571 0.385 0.255 0.061 221.549 300.000 6.682 1 - 570000 5700.00 25.683 -46.656 -20.973 2.69 0.429 0.647 0.230 0.082 233.007 300.000 6.821 1 - 580000 5800.00 26.756 -47.728 -20.973 3.28 0.286 0.667 0.280 0.031 242.741 300.000 6.777 1 - 590000 5900.00 21.361 -42.335 -20.974 1.80 0.500 0.500 0.295 0.068 193.799 300.000 7.231 1 - 600000 6000.00 31.864 -52.838 -20.974 2.32 0.500 0.500 0.269 0.038 289.088 300.000 6.783 1 - 610000 6100.00 25.847 -46.818 -20.971 2.61 0.357 0.583 0.231 0.056 234.496 300.000 6.900 1 - 620000 6200.00 27.265 -48.237 -20.972 3.09 0.286 0.714 0.250 0.036 247.359 300.000 6.708 1 - 630000 6300.00 30.363 -51.335 -20.972 2.79 0.429 0.667 0.303 0.050 275.469 300.000 6.648 1 - 640000 6400.00 29.100 -50.071 -20.971 3.12 0.429 0.667 0.295 0.069 264.012 300.000 6.502 1 - 650000 6500.00 28.111 -49.085 -20.975 2.77 0.571 0.529 0.291 0.068 255.034 300.000 6.482 1 - 660000 6600.00 24.733 -45.706 -20.973 2.09 0.500 0.611 0.303 0.093 224.387 300.000 6.569 1 - 670000 6700.00 33.413 -54.387 -20.974 2.59 0.429 0.667 0.308 0.090 303.144 300.000 6.597 1 - 680000 6800.00 26.618 -47.590 -20.972 1.96 0.429 0.600 0.279 0.053 241.491 300.000 6.632 1 - 690000 6900.00 26.910 -47.883 -20.973 2.27 0.571 0.579 0.244 0.063 244.140 300.000 6.716 1 - 700000 7000.00 27.716 -48.691 -20.974 2.80 0.429 0.667 0.298 0.063 251.457 300.000 6.754 1 - 710000 7100.00 28.394 -49.367 -20.973 3.55 0.357 0.688 0.273 0.064 257.603 300.000 6.613 1 - 720000 7200.00 24.613 -45.586 -20.974 3.38 0.571 0.529 0.270 0.062 223.298 300.000 6.565 1 - 730000 7300.00 24.892 -45.866 -20.974 2.18 0.429 0.400 0.273 0.066 225.829 300.000 7.065 1 - 740000 7400.00 28.340 -49.313 -20.972 2.00 0.571 0.385 0.301 0.074 257.117 300.000 6.709 1 - 750000 7500.00 25.543 -46.516 -20.973 1.96 0.500 0.500 0.299 0.041 231.742 300.000 6.776 1 - 760000 7600.00 23.483 -44.456 -20.973 1.72 0.571 0.429 0.357 0.039 213.051 300.000 6.840 1 - 770000 7700.00 31.471 -52.445 -20.974 2.95 0.571 0.529 0.281 0.080 285.523 300.000 6.642 1 - 780000 7800.00 26.251 -47.223 -20.973 2.95 0.429 0.571 0.302 0.040 238.162 300.000 6.600 1 - 790000 7900.00 29.729 -50.702 -20.973 2.86 0.571 0.556 0.318 0.070 269.719 300.000 6.638 1 - 800000 8000.00 27.410 -48.383 -20.973 2.95 0.429 0.571 0.282 0.060 248.675 300.000 6.747 1 - 810000 8100.00 25.399 -46.372 -20.972 2.14 0.357 0.545 0.215 0.042 230.434 300.000 6.962 1 - 820000 8200.00 29.304 -50.278 -20.973 2.03 0.500 0.500 0.308 0.046 265.863 300.000 7.037 1 - 830000 8300.00 30.582 -51.556 -20.974 2.22 0.500 0.562 0.341 0.037 277.455 300.000 6.684 1 - 840000 8400.00 30.359 -51.333 -20.973 2.79 0.500 0.364 0.231 0.060 275.435 300.000 7.037 1 - 850000 8500.00 28.656 -49.628 -20.972 3.40 0.286 0.667 0.337 0.044 259.984 300.000 6.749 1 - 860000 8600.00 29.156 -50.128 -20.973 2.95 0.429 0.500 0.311 0.043 264.514 300.000 6.786 1 - 870000 8700.00 27.702 -48.676 -20.974 3.02 0.429 0.500 0.208 0.089 251.324 300.000 7.016 1 - 880000 8800.00 23.428 -44.400 -20.972 3.23 0.357 0.444 0.338 0.055 212.550 300.000 6.936 1 - 890000 8900.00 32.995 -53.969 -20.974 3.07 0.357 0.545 0.236 0.074 299.351 300.000 6.787 1 - 900000 9000.00 25.616 -46.587 -20.972 3.12 0.286 0.500 0.324 0.070 232.400 300.000 6.781 1 - 910000 9100.00 28.924 -49.899 -20.974 3.01 0.500 0.562 0.364 0.053 262.417 300.000 6.621 1 - 920000 9200.00 24.404 -45.377 -20.973 3.20 0.643 0.500 0.323 0.108 221.406 300.000 6.657 1 - 930000 9300.00 31.817 -52.792 -20.975 3.36 0.357 0.643 0.360 0.052 288.659 300.000 6.663 1 - 940000 9400.00 23.396 -44.369 -20.973 3.36 0.357 0.615 0.385 0.051 212.260 300.000 6.776 1 - 950000 9500.00 28.781 -49.755 -20.974 3.50 0.286 0.636 0.450 0.081 261.119 300.000 6.623 1 - 960000 9600.00 31.050 -52.026 -20.975 3.58 0.500 0.588 0.414 0.069 281.705 300.000 6.473 1 - 970000 9700.00 23.366 -44.339 -20.973 3.56 0.357 0.583 0.420 0.045 211.987 300.000 7.401 1 - 980000 9800.00 24.018 -44.993 -20.974 4.44 0.286 0.556 0.338 0.102 217.906 300.000 7.105 1 - 990000 9900.00 26.171 -47.145 -20.974 4.26 0.286 0.636 0.351 0.054 237.441 300.000 6.860 1 - 1000000 10000.00 28.944 -49.918 -20.974 4.07 0.286 0.667 0.432 0.061 262.595 300.000 7.059 1 + 0 0.00 30.478 -58.452 -27.974 2.26 0.786 0.476 0.357 0.204 276.511 300.000 6.690 1 + 10000 100.00 26.125 -54.096 -27.971 1.60 0.714 0.412 0.326 0.033 237.021 300.000 6.713 1 + 20000 200.00 26.610 -54.581 -27.972 2.83 0.429 0.667 0.343 0.050 241.416 300.000 6.616 1 + 30000 300.00 26.408 -54.382 -27.973 3.30 0.357 0.667 0.333 0.097 239.588 300.000 6.947 1 + 40000 400.00 24.670 -52.641 -27.971 3.04 0.429 0.647 0.385 0.040 223.819 300.000 6.658 1 + 50000 500.00 28.620 -56.591 -27.972 2.77 0.429 0.625 0.284 0.071 259.653 300.000 6.766 1 + 60000 600.00 23.788 -51.760 -27.972 2.71 0.357 0.583 0.288 0.066 215.818 300.000 6.581 1 + 70000 700.00 32.206 -60.178 -27.972 3.07 0.357 0.688 0.270 0.045 292.191 300.000 6.540 1 + 80000 800.00 29.242 -57.214 -27.972 2.55 0.500 0.588 0.326 0.035 265.299 300.000 6.498 1 + 90000 900.00 30.633 -58.606 -27.973 2.84 0.500 0.611 0.321 0.052 277.921 300.000 6.411 1 + 100000 1000.00 29.668 -57.639 -27.971 2.76 0.500 0.562 0.293 0.075 269.161 300.000 6.458 1 + 110000 1100.00 31.833 -59.803 -27.970 2.87 0.643 0.571 0.260 0.052 288.803 300.000 6.464 1 + 120000 1200.00 29.640 -57.612 -27.972 2.61 0.500 0.533 0.270 0.059 268.908 300.000 6.676 1 + 130000 1300.00 25.408 -53.380 -27.972 2.63 0.500 0.588 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300.000 6.241 1 + 460000 4600.00 24.325 -52.298 -27.973 2.20 0.429 0.647 0.305 0.080 220.692 300.000 6.645 1 + 470000 4700.00 29.617 -57.590 -27.973 2.41 0.571 0.636 0.360 0.048 268.703 300.000 6.320 1 + 480000 4800.00 32.136 -60.109 -27.974 2.44 0.500 0.667 0.323 0.081 291.552 300.000 6.272 1 + 490000 4900.00 26.944 -54.918 -27.974 2.35 0.429 0.684 0.304 0.052 244.448 300.000 6.618 1 + 500000 5000.00 26.643 -54.616 -27.973 2.71 0.500 0.611 0.275 0.080 241.721 300.000 6.435 1 + 510000 5100.00 34.849 -62.824 -27.975 2.21 0.571 0.556 0.321 0.042 316.167 300.000 6.502 1 + 520000 5200.00 30.727 -58.700 -27.972 2.33 0.429 0.667 0.290 0.079 278.773 300.000 6.474 1 + 530000 5300.00 30.776 -58.752 -27.976 2.36 0.500 0.588 0.299 0.057 279.217 300.000 6.463 1 + 540000 5400.00 31.148 -59.123 -27.975 2.42 0.357 0.706 0.353 0.070 282.593 300.000 6.529 1 + 550000 5500.00 26.559 -54.532 -27.973 2.32 0.500 0.632 0.282 0.043 240.954 300.000 6.368 1 + 560000 5600.00 24.209 -52.182 -27.973 2.40 0.429 0.647 0.302 0.054 219.640 300.000 6.542 1 + 570000 5700.00 25.658 -53.631 -27.973 2.29 0.357 0.545 0.368 0.053 232.784 300.000 6.631 1 + 580000 5800.00 25.615 -53.587 -27.972 2.62 0.500 0.500 0.370 0.045 232.392 300.000 6.435 1 + 590000 5900.00 26.493 -54.466 -27.973 2.23 0.571 0.579 0.321 0.081 240.360 300.000 6.349 1 + 600000 6000.00 25.546 -53.518 -27.972 2.02 0.500 0.562 0.304 0.049 231.768 300.000 6.342 1 + 610000 6100.00 27.085 -55.059 -27.974 2.25 0.429 0.600 0.261 0.056 245.729 300.000 6.520 1 + 620000 6200.00 24.836 -52.808 -27.972 2.91 0.357 0.643 0.305 0.055 225.323 300.000 6.559 1 + 630000 6300.00 27.882 -55.855 -27.974 2.91 0.500 0.500 0.253 0.049 252.956 300.000 6.804 1 + 640000 6400.00 29.703 -57.675 -27.972 3.45 0.500 0.562 0.250 0.046 269.482 300.000 6.802 1 + 650000 6500.00 23.607 -51.578 -27.971 2.83 0.500 0.462 0.290 0.036 214.176 300.000 6.825 1 + 660000 6600.00 25.813 -53.786 -27.973 2.48 0.429 0.600 0.342 0.053 234.191 300.000 6.790 1 + 670000 6700.00 26.908 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780000 7800.00 31.512 -59.486 -27.974 3.53 0.286 0.667 0.364 0.037 285.891 300.000 6.520 1 + 790000 7900.00 25.425 -53.398 -27.973 3.98 0.286 0.692 0.336 0.066 230.669 300.000 6.352 1 + 800000 8000.00 21.908 -49.882 -27.975 3.72 0.214 0.500 0.326 0.080 198.760 300.000 6.978 1 + 810000 8100.00 23.669 -51.642 -27.973 4.21 0.214 0.786 0.377 0.061 214.737 300.000 6.504 1 + 820000 8200.00 28.725 -56.699 -27.974 3.98 0.357 0.643 0.282 0.052 260.606 300.000 6.509 1 + 830000 8300.00 26.149 -54.123 -27.974 2.98 0.571 0.600 0.291 0.109 237.237 300.000 6.464 1 + 840000 8400.00 24.603 -52.576 -27.973 3.64 0.357 0.643 0.289 0.060 223.208 300.000 6.717 1 + 850000 8500.00 30.449 -58.423 -27.974 3.30 0.357 0.643 0.292 0.066 276.253 300.000 6.911 1 + 860000 8600.00 23.644 -51.616 -27.973 3.38 0.357 0.500 0.300 0.060 214.507 300.000 6.977 1 + 870000 8700.00 23.878 -51.852 -27.974 3.66 0.357 0.583 0.348 0.063 216.633 300.000 6.664 1 + 880000 8800.00 21.399 -49.372 -27.973 3.63 0.571 0.467 0.282 0.076 194.145 300.000 6.555 1 + 890000 8900.00 26.941 -54.916 -27.974 4.21 0.286 0.750 0.378 0.071 244.425 300.000 6.574 1 + 900000 9000.00 28.331 -56.305 -27.975 3.90 0.357 0.583 0.371 0.061 257.030 300.000 6.892 1 + 910000 9100.00 23.229 -51.201 -27.973 3.51 0.429 0.684 0.328 0.136 210.741 300.000 6.714 1 + 920000 9200.00 28.676 -56.650 -27.975 4.02 0.214 0.769 0.381 0.132 260.159 300.000 6.704 1 + 930000 9300.00 28.708 -56.681 -27.973 3.95 0.429 0.714 0.355 0.046 260.453 300.000 6.505 1 + 940000 9400.00 27.537 -55.510 -27.973 3.73 0.214 0.786 0.373 0.059 249.828 300.000 6.668 1 + 950000 9500.00 26.036 -54.011 -27.975 3.24 0.429 0.625 0.355 0.057 236.211 300.000 6.613 1 + 960000 9600.00 24.531 -52.502 -27.971 3.46 0.357 0.667 0.376 0.038 222.557 300.000 6.471 1 + 970000 9700.00 23.927 -51.899 -27.972 3.84 0.357 0.706 0.361 0.104 217.082 300.000 6.768 1 + 980000 9800.00 26.876 -54.847 -27.971 3.80 0.357 0.706 0.337 0.040 243.832 300.000 6.526 1 + 990000 9900.00 25.128 -53.101 -27.973 4.11 0.286 0.714 0.292 0.024 227.974 300.000 6.519 1 + 1000000 10000.00 22.567 -50.538 -27.971 4.18 0.143 0.800 0.309 0.070 204.737 300.000 6.618 1 diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB002.stat b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB002.stat index 2c9a107..740d04b 100644 --- a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB002.stat +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB002.stat @@ -1,101 +1,101 @@ - 0 0.00 33.787 -51.451 -17.664 2.26 0.786 0.476 0.357 0.199 306.532 300.000 6.690 2 - 10000 100.00 28.424 -46.084 -17.661 1.97 0.571 0.429 0.312 0.061 257.873 300.000 7.035 2 - 20000 200.00 34.099 -51.761 -17.663 2.54 0.643 0.571 0.348 0.058 309.361 300.000 6.388 2 - 30000 300.00 28.914 -46.576 -17.662 2.63 0.357 0.615 0.290 0.046 262.321 300.000 6.636 2 - 40000 400.00 27.493 -45.154 -17.661 2.17 0.571 0.556 0.351 0.092 249.427 300.000 6.469 2 - 50000 500.00 25.777 -43.438 -17.661 2.34 0.500 0.588 0.278 0.043 233.864 300.000 6.553 2 - 60000 600.00 27.390 -45.051 -17.661 2.37 0.429 0.538 0.269 0.045 248.495 300.000 6.907 2 - 70000 700.00 26.928 -44.590 -17.661 2.44 0.500 0.222 0.197 0.107 244.307 300.000 7.191 2 - 80000 800.00 33.474 -51.136 -17.662 2.09 0.571 0.385 0.332 0.054 303.693 300.000 6.662 2 - 90000 900.00 31.141 -48.803 -17.662 3.72 0.286 0.750 0.389 0.047 282.525 300.000 6.365 2 - 100000 1000.00 25.318 -42.979 -17.662 4.16 0.286 0.733 0.367 0.045 229.694 300.000 6.637 2 - 110000 1100.00 29.527 -47.191 -17.663 3.62 0.357 0.667 0.358 0.074 267.889 300.000 6.475 2 - 120000 1200.00 32.734 -50.397 -17.663 4.04 0.357 0.615 0.213 0.059 296.979 300.000 7.225 2 - 130000 1300.00 27.460 -45.122 -17.662 3.46 0.286 0.667 0.307 0.055 249.134 300.000 7.206 2 - 140000 1400.00 30.490 -48.153 -17.662 3.98 0.429 0.714 0.338 0.060 276.625 300.000 6.537 2 - 150000 1500.00 25.246 -42.909 -17.663 3.32 0.357 0.444 0.323 0.083 229.044 300.000 6.860 2 - 160000 1600.00 21.154 -38.815 -17.661 3.94 0.357 0.583 0.288 0.062 191.920 300.000 6.622 2 - 170000 1700.00 26.660 -44.322 -17.662 3.66 0.357 0.706 0.305 0.048 241.870 300.000 6.331 2 - 180000 1800.00 27.897 -45.558 -17.661 4.36 0.357 0.722 0.321 0.054 253.098 300.000 6.497 2 - 190000 1900.00 29.099 -46.762 -17.663 3.51 0.286 0.714 0.240 0.061 264.001 300.000 6.743 2 - 200000 2000.00 25.797 -43.458 -17.661 3.08 0.286 0.667 0.288 0.041 234.045 300.000 7.009 2 - 210000 2100.00 27.827 -45.489 -17.662 3.82 0.286 0.556 0.283 0.060 252.463 300.000 6.846 2 - 220000 2200.00 24.304 -41.966 -17.662 3.92 0.214 0.667 0.283 0.042 220.501 300.000 6.751 2 - 230000 2300.00 30.105 -47.767 -17.662 4.10 0.143 0.800 0.286 0.057 273.126 300.000 6.925 2 - 240000 2400.00 24.198 -41.860 -17.662 3.76 0.286 0.667 0.280 0.054 219.539 300.000 6.720 2 - 250000 2500.00 25.109 -42.770 -17.661 2.54 0.286 0.714 0.292 0.080 227.798 300.000 6.925 2 - 260000 2600.00 26.223 -43.883 -17.661 2.88 0.357 0.615 0.266 0.070 237.905 300.000 6.728 2 - 270000 2700.00 26.372 -44.033 -17.662 3.68 0.286 0.733 0.267 0.061 239.257 300.000 6.837 2 - 280000 2800.00 26.147 -43.811 -17.663 3.32 0.143 0.818 0.360 0.047 237.223 300.000 7.435 2 - 290000 2900.00 28.335 -45.996 -17.662 2.52 0.357 0.583 0.330 0.028 257.066 300.000 6.791 2 - 300000 3000.00 28.315 -45.976 -17.662 3.08 0.357 0.643 0.308 0.071 256.885 300.000 6.752 2 - 310000 3100.00 28.776 -46.438 -17.662 3.05 0.214 0.800 0.300 0.049 261.068 300.000 6.531 2 - 320000 3200.00 31.408 -49.069 -17.661 2.94 0.143 0.846 0.374 0.065 284.953 300.000 6.596 2 - 330000 3300.00 29.684 -47.346 -17.662 3.43 0.214 0.750 0.284 0.059 269.310 300.000 6.797 2 - 340000 3400.00 24.862 -42.523 -17.661 3.37 0.286 0.714 0.260 0.065 225.559 300.000 6.969 2 - 350000 3500.00 32.297 -49.958 -17.662 3.22 0.429 0.500 0.288 0.048 293.014 300.000 7.051 2 - 360000 3600.00 27.067 -44.728 -17.662 3.32 0.143 0.818 0.368 0.097 245.561 300.000 6.773 2 - 370000 3700.00 31.038 -48.701 -17.663 2.82 0.429 0.571 0.244 0.065 281.590 300.000 6.854 2 - 380000 3800.00 33.426 -51.088 -17.662 3.74 0.357 0.762 0.383 0.067 303.254 300.000 6.443 2 - 390000 3900.00 24.068 -41.729 -17.661 4.08 0.143 0.818 0.347 0.037 218.357 300.000 6.751 2 - 400000 4000.00 31.036 -48.699 -17.663 3.37 0.357 0.615 0.353 0.075 281.572 300.000 6.842 2 - 410000 4100.00 26.701 -44.363 -17.662 3.21 0.286 0.667 0.371 0.120 242.245 300.000 6.494 2 - 420000 4200.00 23.496 -41.157 -17.661 3.86 0.429 0.625 0.347 0.061 213.168 300.000 6.318 2 - 430000 4300.00 34.365 -52.026 -17.661 3.82 0.429 0.647 0.372 0.053 311.775 300.000 6.366 2 - 440000 4400.00 24.977 -42.638 -17.661 3.69 0.286 0.714 0.393 0.057 226.607 300.000 6.484 2 - 450000 4500.00 24.891 -42.551 -17.660 3.15 0.357 0.667 0.312 0.072 225.821 300.000 6.776 2 - 460000 4600.00 26.321 -43.981 -17.660 3.58 0.357 0.615 0.395 0.068 238.798 300.000 6.904 2 - 470000 4700.00 25.899 -43.561 -17.662 3.73 0.214 0.800 0.370 0.074 234.972 300.000 6.759 2 - 480000 4800.00 29.881 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0.032 248.206 300.000 6.861 3 - 40000 400.00 29.669 -51.084 -21.415 2.97 0.571 0.529 0.254 0.028 269.175 300.000 6.508 3 - 50000 500.00 26.234 -47.648 -21.414 2.03 0.500 0.562 0.278 0.062 238.007 300.000 6.678 3 - 60000 600.00 21.327 -42.741 -21.414 2.08 0.571 0.429 0.318 0.037 193.491 300.000 6.656 3 - 70000 700.00 27.347 -48.763 -21.416 1.87 0.500 0.500 0.256 0.038 248.105 300.000 7.208 3 - 80000 800.00 23.344 -44.759 -21.415 2.13 0.429 0.400 0.232 0.065 211.792 300.000 6.868 3 - 90000 900.00 29.549 -50.964 -21.414 2.37 0.357 0.615 0.199 0.083 268.086 300.000 7.082 3 - 100000 1000.00 25.618 -47.032 -21.414 3.21 0.429 0.500 0.265 0.074 232.417 300.000 6.843 3 - 110000 1100.00 23.412 -44.826 -21.414 3.06 0.429 0.571 0.282 0.037 212.406 300.000 6.873 3 - 120000 1200.00 26.681 -48.095 -21.414 3.49 0.571 0.500 0.318 0.047 242.065 300.000 6.792 3 - 130000 1300.00 24.725 -46.139 -21.413 3.48 0.429 0.538 0.241 0.093 224.322 300.000 6.912 3 - 140000 1400.00 27.507 -48.921 -21.415 3.23 0.571 0.556 0.306 0.047 249.553 300.000 6.560 3 - 150000 1500.00 28.010 -49.424 -21.414 3.35 0.500 0.462 0.318 0.042 254.122 300.000 7.020 3 - 160000 1600.00 25.456 -46.870 -21.414 3.78 0.500 0.562 0.318 0.064 230.947 300.000 6.749 3 - 170000 1700.00 27.306 -48.721 -21.415 3.39 0.429 0.625 0.307 0.036 247.731 300.000 6.664 3 - 180000 1800.00 28.878 -50.292 -21.414 3.15 0.429 0.538 0.346 0.042 261.996 300.000 6.443 3 - 190000 1900.00 26.282 -47.697 -21.416 3.90 0.429 0.538 0.311 0.060 238.441 300.000 6.855 3 - 200000 2000.00 23.107 -44.521 -21.415 3.36 0.571 0.429 0.331 0.056 209.637 300.000 6.567 3 - 210000 2100.00 32.103 -53.517 -21.414 3.46 0.571 0.500 0.347 0.076 291.253 300.000 6.223 3 - 220000 2200.00 24.754 -46.169 -21.415 3.43 0.357 0.615 0.297 0.090 224.585 300.000 6.598 3 - 230000 2300.00 31.521 -52.937 -21.416 2.95 0.500 0.533 0.291 0.061 285.971 300.000 6.720 3 - 240000 2400.00 29.264 -50.679 -21.414 2.92 0.357 0.688 0.341 0.066 265.501 300.000 6.770 3 - 250000 2500.00 21.071 -42.485 -21.414 3.40 0.357 0.615 0.353 0.050 191.171 300.000 6.483 3 - 260000 2600.00 26.771 -48.186 -21.415 4.17 0.429 0.647 0.342 0.043 242.877 300.000 6.240 3 - 270000 2700.00 27.659 -49.076 -21.417 3.85 0.214 0.824 0.321 0.042 250.939 300.000 6.469 3 - 280000 2800.00 25.098 -46.513 -21.415 4.35 0.143 0.846 0.283 0.071 227.701 300.000 6.872 3 - 290000 2900.00 28.693 -50.110 -21.417 4.20 0.357 0.706 0.326 0.080 260.322 300.000 6.600 3 - 300000 3000.00 26.336 -47.750 -21.414 4.00 0.357 0.688 0.369 0.060 238.930 300.000 6.663 3 - 310000 3100.00 27.743 -49.158 -21.415 4.54 0.286 0.733 0.367 0.067 251.699 300.000 6.728 3 - 320000 3200.00 26.848 -48.262 -21.414 4.11 0.429 0.684 0.400 0.105 243.579 300.000 6.862 3 - 330000 3300.00 24.849 -46.264 -21.415 3.91 0.286 0.667 0.326 0.057 225.444 300.000 6.734 3 - 340000 3400.00 29.227 -50.643 -21.416 4.59 0.429 0.727 0.446 0.070 265.165 300.000 6.264 3 - 350000 3500.00 24.145 -45.559 -21.413 4.68 0.357 0.688 0.443 0.060 219.060 300.000 6.736 3 - 360000 3600.00 32.130 -53.546 -21.416 4.21 0.357 0.722 0.447 0.079 291.501 300.000 6.407 3 - 370000 3700.00 26.998 -48.414 -21.416 3.75 0.429 0.571 0.370 0.084 244.938 300.000 7.012 3 - 380000 3800.00 26.695 -48.110 -21.415 3.62 0.429 0.667 0.354 0.048 242.187 300.000 6.721 3 - 390000 3900.00 22.064 -43.481 -21.416 3.72 0.357 0.688 0.290 0.066 200.180 300.000 6.815 3 - 400000 4000.00 25.521 -46.936 -21.415 3.78 0.286 0.692 0.322 0.059 231.537 300.000 6.890 3 - 410000 4100.00 25.669 -47.084 -21.414 4.67 0.286 0.714 0.351 0.050 232.886 300.000 6.724 3 - 420000 4200.00 27.451 -48.866 -21.415 4.67 0.214 0.800 0.352 0.037 249.051 300.000 6.814 3 - 430000 4300.00 28.201 -49.617 -21.415 4.15 0.357 0.722 0.391 0.043 255.858 300.000 6.430 3 - 440000 4400.00 24.832 -46.246 -21.414 3.77 0.286 0.765 0.337 0.039 225.289 300.000 6.686 3 - 450000 4500.00 32.145 -53.561 -21.416 4.53 0.286 0.778 0.402 0.091 291.638 300.000 6.398 3 - 460000 4600.00 27.403 -48.819 -21.416 4.07 0.214 0.750 0.420 0.046 248.613 300.000 6.558 3 - 470000 4700.00 30.403 -51.820 -21.417 3.96 0.429 0.571 0.416 0.046 275.834 300.000 6.420 3 - 480000 4800.00 25.734 -47.150 -21.416 4.23 0.429 0.571 0.315 0.123 233.468 300.000 6.542 3 - 490000 4900.00 24.131 -45.544 -21.413 4.76 0.286 0.765 0.439 0.064 218.929 300.000 6.608 3 - 500000 5000.00 27.716 -49.129 -21.413 4.40 0.357 0.615 0.367 0.065 251.456 300.000 6.424 3 - 510000 5100.00 28.978 -50.391 -21.414 4.53 0.357 0.722 0.419 0.069 262.900 300.000 6.591 3 - 520000 5200.00 25.915 -47.327 -21.412 4.07 0.357 0.643 0.390 0.050 235.112 300.000 6.876 3 - 530000 5300.00 26.458 -47.871 -21.413 4.23 0.357 0.643 0.364 0.077 240.043 300.000 6.496 3 - 540000 5400.00 29.246 -50.659 -21.413 4.58 0.357 0.643 0.429 0.086 265.335 300.000 6.702 3 - 550000 5500.00 26.498 -47.910 -21.412 3.89 0.357 0.722 0.394 0.082 240.402 300.000 6.634 3 - 560000 5600.00 28.470 -49.883 -21.412 4.55 0.500 0.611 0.376 0.054 258.299 300.000 6.643 3 - 570000 5700.00 29.411 -50.823 -21.413 4.27 0.357 0.667 0.342 0.039 266.829 300.000 6.602 3 - 580000 5800.00 22.821 -44.231 -21.410 4.31 0.357 0.706 0.388 0.031 207.042 300.000 6.434 3 - 590000 5900.00 24.613 -46.025 -21.412 3.97 0.429 0.625 0.429 0.029 223.302 300.000 6.444 3 - 600000 6000.00 28.825 -50.238 -21.413 3.71 0.571 0.600 0.373 0.063 261.515 300.000 6.192 3 - 610000 6100.00 30.786 -52.200 -21.414 3.36 0.429 0.600 0.391 0.110 279.308 300.000 6.515 3 - 620000 6200.00 27.172 -48.584 -21.412 3.22 0.429 0.571 0.354 0.057 246.521 300.000 6.520 3 - 630000 6300.00 27.464 -48.877 -21.413 3.88 0.500 0.533 0.400 0.052 249.167 300.000 6.377 3 - 640000 6400.00 25.989 -47.401 -21.412 4.06 0.357 0.722 0.409 0.056 235.788 300.000 6.286 3 - 650000 6500.00 29.624 -51.037 -21.413 3.74 0.429 0.684 0.342 0.104 268.765 300.000 6.445 3 - 660000 6600.00 27.737 -49.150 -21.413 2.97 0.286 0.556 0.465 0.073 251.648 300.000 6.960 3 - 670000 6700.00 22.059 -43.472 -21.413 3.46 0.429 0.538 0.409 0.058 200.132 300.000 6.661 3 - 680000 6800.00 31.200 -52.614 -21.414 2.97 0.571 0.500 0.301 0.051 283.066 300.000 6.709 3 - 690000 6900.00 25.711 -47.122 -21.412 3.29 0.500 0.533 0.442 0.048 233.259 300.000 6.653 3 - 700000 7000.00 25.533 -46.945 -21.412 3.10 0.429 0.538 0.311 0.054 231.644 300.000 6.967 3 - 710000 7100.00 23.854 -45.268 -21.414 3.29 0.429 0.571 0.429 0.102 216.417 300.000 6.597 3 - 720000 7200.00 26.839 -48.255 -21.416 3.02 0.286 0.600 0.332 0.109 243.496 300.000 7.033 3 - 730000 7300.00 29.883 -51.295 -21.412 3.50 0.571 0.556 0.359 0.049 271.113 300.000 6.545 3 - 740000 7400.00 30.060 -51.473 -21.412 3.72 0.357 0.722 0.439 0.065 272.722 300.000 6.299 3 - 750000 7500.00 26.234 -47.647 -21.412 3.86 0.286 0.765 0.401 0.080 238.013 300.000 6.278 3 - 760000 7600.00 30.394 -51.806 -21.412 4.14 0.429 0.647 0.417 0.054 275.752 300.000 6.384 3 - 770000 7700.00 26.163 -47.576 -21.413 4.06 0.357 0.688 0.378 0.063 237.363 300.000 6.249 3 - 780000 7800.00 28.486 -49.898 -21.412 3.66 0.357 0.615 0.381 0.034 258.439 300.000 6.562 3 - 790000 7900.00 27.724 -49.136 -21.412 4.06 0.286 0.810 0.450 0.094 251.525 300.000 6.366 3 - 800000 8000.00 30.883 -52.295 -21.412 3.60 0.500 0.462 0.357 0.080 280.185 300.000 6.533 3 - 810000 8100.00 25.286 -46.698 -21.412 3.90 0.286 0.765 0.388 0.063 229.406 300.000 6.451 3 - 820000 8200.00 30.120 -51.533 -21.414 3.43 0.429 0.600 0.418 0.109 273.261 300.000 6.531 3 - 830000 8300.00 24.012 -45.423 -21.410 3.51 0.500 0.632 0.368 0.102 217.850 300.000 6.412 3 - 840000 8400.00 28.428 -49.841 -21.413 4.17 0.429 0.600 0.430 0.117 257.917 300.000 6.232 3 - 850000 8500.00 30.246 -51.658 -21.412 3.95 0.429 0.625 0.412 0.049 274.409 300.000 6.373 3 - 860000 8600.00 29.847 -51.263 -21.416 3.90 0.429 0.647 0.404 0.104 270.788 300.000 6.336 3 - 870000 8700.00 24.944 -46.356 -21.412 4.07 0.429 0.647 0.409 0.089 226.305 300.000 6.487 3 - 880000 8800.00 26.411 -47.823 -21.412 4.31 0.429 0.625 0.494 0.049 239.616 300.000 6.229 3 - 890000 8900.00 26.443 -47.855 -21.412 3.19 0.643 0.471 0.350 0.061 239.902 300.000 6.878 3 - 900000 9000.00 29.229 -50.643 -21.414 3.16 0.429 0.600 0.424 0.038 265.182 300.000 6.758 3 - 910000 9100.00 28.188 -49.600 -21.412 3.12 0.500 0.417 0.348 0.055 255.740 300.000 6.818 3 - 920000 9200.00 30.687 -52.100 -21.414 2.64 0.571 0.600 0.395 0.074 278.406 300.000 6.662 3 - 930000 9300.00 26.414 -47.827 -21.413 3.99 0.571 0.500 0.392 0.085 239.643 300.000 6.427 3 - 940000 9400.00 29.936 -51.349 -21.414 2.80 0.500 0.588 0.382 0.042 271.592 300.000 6.903 3 - 950000 9500.00 25.794 -47.205 -21.411 3.30 0.643 0.591 0.386 0.023 234.020 300.000 6.607 3 - 960000 9600.00 25.308 -46.719 -21.411 3.57 0.357 0.737 0.378 0.057 229.607 300.000 6.744 3 - 970000 9700.00 25.806 -47.219 -21.413 4.06 0.500 0.588 0.348 0.050 234.125 300.000 7.267 3 - 980000 9800.00 28.936 -50.348 -21.412 2.89 0.429 0.647 0.374 0.051 262.526 300.000 6.680 3 - 990000 9900.00 23.474 -44.887 -21.413 3.95 0.429 0.571 0.416 0.043 212.964 300.000 6.870 3 - 1000000 10000.00 26.299 -47.712 -21.413 3.38 0.429 0.647 0.366 0.084 238.597 300.000 6.884 3 + 0 0.00 30.034 -58.452 -28.418 2.26 0.786 0.476 0.357 0.204 272.485 300.000 6.690 3 + 10000 100.00 24.564 -52.979 -28.415 1.79 0.857 0.368 0.311 0.023 222.860 300.000 6.492 3 + 20000 200.00 30.836 -59.252 -28.416 2.62 0.571 0.579 0.366 0.039 279.760 300.000 6.526 3 + 30000 300.00 31.528 -59.946 -28.418 1.80 0.571 0.467 0.318 0.051 286.035 300.000 6.664 3 + 40000 400.00 26.344 -54.761 -28.417 2.58 0.643 0.526 0.373 0.045 239.009 300.000 6.505 3 + 50000 500.00 29.998 -58.416 -28.418 1.91 0.500 0.611 0.293 0.072 272.157 300.000 6.817 3 + 60000 600.00 27.792 -56.208 -28.416 2.09 0.643 0.357 0.315 0.032 252.142 300.000 6.496 3 + 70000 700.00 26.680 -55.098 -28.417 2.04 0.571 0.500 0.304 0.046 242.058 300.000 6.519 3 + 80000 800.00 25.326 -53.744 -28.418 2.36 0.429 0.455 0.240 0.079 229.768 300.000 7.003 3 + 90000 900.00 26.819 -55.235 -28.416 3.03 0.429 0.647 0.270 0.046 243.316 300.000 6.653 3 + 100000 1000.00 24.627 -53.043 -28.416 2.69 0.429 0.625 0.259 0.045 223.432 300.000 6.808 3 + 110000 1100.00 29.681 -58.100 -28.418 2.19 0.500 0.500 0.302 0.070 269.285 300.000 6.759 3 + 120000 1200.00 31.534 -59.951 -28.418 3.27 0.429 0.600 0.382 0.111 286.089 300.000 6.757 3 + 130000 1300.00 22.947 -51.363 -28.417 2.94 0.429 0.571 0.318 0.057 208.183 300.000 6.674 3 + 140000 1400.00 24.710 -53.126 -28.416 2.69 0.357 0.706 0.334 0.053 224.181 300.000 6.751 3 + 150000 1500.00 32.087 -60.505 -28.418 3.07 0.357 0.667 0.324 0.078 291.109 300.000 6.507 3 + 160000 1600.00 26.896 -55.313 -28.417 2.96 0.500 0.588 0.294 0.035 244.014 300.000 6.399 3 + 170000 1700.00 23.302 -51.720 -28.418 2.97 0.500 0.611 0.278 0.063 211.409 300.000 6.627 3 + 180000 1800.00 28.512 -56.931 -28.419 2.10 0.500 0.588 0.406 0.081 258.679 300.000 6.481 3 + 190000 1900.00 27.688 -56.104 -28.417 1.79 0.714 0.474 0.289 0.040 251.197 300.000 6.671 3 + 200000 2000.00 27.252 -55.671 -28.419 2.55 0.643 0.591 0.306 0.049 247.244 300.000 6.474 3 + 210000 2100.00 23.621 -52.039 -28.417 2.30 0.571 0.529 0.305 0.033 214.306 300.000 6.405 3 + 220000 2200.00 25.716 -54.134 -28.418 2.10 0.643 0.609 0.342 0.091 233.308 300.000 6.401 3 + 230000 2300.00 26.851 -55.269 -28.418 2.30 0.429 0.500 0.205 0.053 243.606 300.000 6.918 3 + 240000 2400.00 22.176 -50.593 -28.417 2.53 0.571 0.529 0.297 0.056 201.191 300.000 6.609 3 + 250000 2500.00 26.885 -55.303 -28.418 2.58 0.500 0.632 0.263 0.058 243.915 300.000 6.509 3 + 260000 2600.00 28.979 -57.398 -28.419 2.46 0.571 0.556 0.336 0.030 262.912 300.000 6.511 3 + 270000 2700.00 31.169 -59.588 -28.419 1.89 0.571 0.500 0.307 0.074 282.784 300.000 6.763 3 + 280000 2800.00 26.064 -54.482 -28.418 2.54 0.571 0.500 0.210 0.059 236.468 300.000 6.673 3 + 290000 2900.00 28.091 -56.511 -28.420 2.22 0.643 0.550 0.368 0.071 254.855 300.000 6.422 3 + 300000 3000.00 28.705 -57.124 -28.419 2.40 0.429 0.647 0.316 0.062 260.424 300.000 6.680 3 + 310000 3100.00 31.061 -59.481 -28.420 1.97 0.643 0.500 0.270 0.046 281.799 300.000 6.633 3 + 320000 3200.00 24.201 -52.618 -28.418 2.37 0.714 0.412 0.353 0.024 219.561 300.000 6.512 3 + 330000 3300.00 30.600 -59.019 -28.419 2.46 0.643 0.550 0.348 0.055 277.619 300.000 6.499 3 + 340000 3400.00 20.022 -48.438 -28.416 2.50 0.571 0.500 0.236 0.066 181.649 300.000 6.659 3 + 350000 3500.00 20.768 -49.187 -28.419 2.33 0.500 0.588 0.361 0.089 188.418 300.000 6.600 3 + 360000 3600.00 24.990 -53.409 -28.419 2.65 0.286 0.692 0.241 0.058 226.718 300.000 6.699 3 + 370000 3700.00 30.820 -59.238 -28.418 2.60 0.500 0.500 0.250 0.076 279.614 300.000 6.710 3 + 380000 3800.00 26.436 -54.853 -28.418 2.79 0.357 0.667 0.252 0.057 239.838 300.000 6.757 3 + 390000 3900.00 26.119 -54.537 -28.418 2.78 0.643 0.400 0.267 0.061 236.961 300.000 6.702 3 + 400000 4000.00 24.620 -53.037 -28.417 2.76 0.500 0.611 0.240 0.076 223.364 300.000 6.829 3 + 410000 4100.00 26.431 -54.849 -28.418 2.91 0.357 0.643 0.256 0.107 239.794 300.000 6.842 3 + 420000 4200.00 30.356 -58.775 -28.419 3.15 0.357 0.722 0.298 0.051 275.409 300.000 6.669 3 + 430000 4300.00 26.979 -55.397 -28.418 3.22 0.357 0.643 0.256 0.041 244.764 300.000 6.744 3 + 440000 4400.00 29.488 -57.908 -28.420 3.28 0.500 0.588 0.313 0.095 267.532 300.000 6.508 3 + 450000 4500.00 27.722 -56.140 -28.418 2.08 0.429 0.600 0.255 0.089 251.504 300.000 6.624 3 + 460000 4600.00 29.439 -57.858 -28.418 2.09 0.643 0.471 0.324 0.097 267.088 300.000 6.459 3 + 470000 4700.00 31.260 -59.678 -28.419 1.89 0.571 0.467 0.291 0.052 283.604 300.000 6.827 3 + 480000 4800.00 22.191 -50.608 -28.417 1.80 0.714 0.375 0.335 0.061 201.327 300.000 6.746 3 + 490000 4900.00 23.096 -51.514 -28.417 2.19 0.571 0.385 0.269 0.061 209.543 300.000 6.684 3 + 500000 5000.00 21.793 -50.211 -28.418 2.25 0.643 0.400 0.327 0.103 197.717 300.000 6.674 3 + 510000 5100.00 27.707 -56.125 -28.418 2.44 0.571 0.556 0.351 0.072 251.376 300.000 6.653 3 + 520000 5200.00 23.878 -52.295 -28.418 2.40 0.643 0.471 0.241 0.037 216.630 300.000 6.606 3 + 530000 5300.00 27.347 -55.764 -28.417 2.12 0.714 0.524 0.323 0.068 248.106 300.000 6.694 3 + 540000 5400.00 25.739 -54.156 -28.418 2.58 0.643 0.526 0.246 0.053 233.513 300.000 6.741 3 + 550000 5500.00 24.626 -53.043 -28.417 1.94 0.429 0.600 0.255 0.045 223.421 300.000 6.839 3 + 560000 5600.00 26.056 -54.474 -28.418 1.81 0.714 0.444 0.341 0.050 236.392 300.000 6.950 3 + 570000 5700.00 25.352 -53.769 -28.417 1.45 0.571 0.467 0.297 0.053 230.010 300.000 6.667 3 + 580000 5800.00 26.954 -55.372 -28.418 2.20 0.500 0.611 0.290 0.055 244.540 300.000 6.431 3 + 590000 5900.00 27.480 -55.897 -28.417 2.41 0.571 0.600 0.375 0.088 249.310 300.000 6.285 3 + 600000 6000.00 27.264 -55.682 -28.418 1.92 0.643 0.526 0.285 0.034 247.350 300.000 6.701 3 + 610000 6100.00 26.035 -54.453 -28.417 2.13 0.571 0.467 0.270 0.038 236.207 300.000 6.449 3 + 620000 6200.00 22.322 -50.738 -28.416 1.61 0.643 0.526 0.330 0.054 202.519 300.000 6.743 3 + 630000 6300.00 25.651 -54.068 -28.418 2.56 0.286 0.600 0.264 0.049 232.718 300.000 6.812 3 + 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222.580 300.000 6.480 3 + 750000 7500.00 28.880 -57.300 -28.420 2.40 0.429 0.667 0.414 0.104 262.019 300.000 6.371 3 + 760000 7600.00 27.190 -55.608 -28.419 1.82 0.429 0.571 0.205 0.044 246.678 300.000 6.985 3 + 770000 7700.00 32.199 -60.620 -28.420 1.84 0.571 0.556 0.260 0.088 292.129 300.000 6.854 3 + 780000 7800.00 24.002 -52.421 -28.419 2.47 0.500 0.533 0.276 0.045 217.757 300.000 6.727 3 + 790000 7900.00 25.712 -54.131 -28.420 2.19 0.500 0.588 0.259 0.084 233.269 300.000 6.706 3 + 800000 8000.00 29.120 -57.541 -28.420 2.31 0.500 0.632 0.356 0.079 264.196 300.000 6.449 3 + 810000 8100.00 26.373 -54.793 -28.420 2.46 0.571 0.556 0.359 0.052 239.267 300.000 6.521 3 + 820000 8200.00 29.488 -57.908 -28.421 2.48 0.571 0.529 0.318 0.039 267.527 300.000 6.485 3 + 830000 8300.00 28.113 -56.533 -28.420 2.91 0.429 0.667 0.311 0.071 255.056 300.000 6.355 3 + 840000 8400.00 29.015 -57.435 -28.420 2.34 0.571 0.600 0.295 0.051 263.237 300.000 6.704 3 + 850000 8500.00 27.387 -55.806 -28.419 1.95 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23.627 -47.268 -23.642 3.21 0.571 0.529 0.332 0.098 214.354 300.000 6.456 4 - 780000 7800.00 28.511 -52.153 -23.641 2.70 0.357 0.667 0.312 0.066 258.670 300.000 6.818 4 - 790000 7900.00 27.577 -51.221 -23.643 3.87 0.429 0.625 0.341 0.072 250.196 300.000 6.312 4 - 800000 8000.00 22.515 -46.156 -23.641 3.39 0.500 0.588 0.329 0.104 204.264 300.000 6.446 4 - 810000 8100.00 23.655 -47.296 -23.641 3.39 0.286 0.636 0.310 0.077 214.609 300.000 6.639 4 - 820000 8200.00 26.130 -49.772 -23.642 3.11 0.429 0.571 0.325 0.047 237.062 300.000 6.719 4 - 830000 8300.00 22.221 -45.861 -23.640 3.19 0.357 0.667 0.370 0.037 201.603 300.000 6.506 4 - 840000 8400.00 25.700 -49.341 -23.640 3.52 0.357 0.706 0.326 0.034 233.168 300.000 6.569 4 - 850000 8500.00 29.186 -52.828 -23.642 3.49 0.286 0.714 0.357 0.088 264.790 300.000 6.476 4 - 860000 8600.00 23.063 -46.703 -23.640 3.35 0.357 0.737 0.390 0.059 209.237 300.000 6.439 4 - 870000 8700.00 25.876 -49.519 -23.643 2.89 0.357 0.688 0.352 0.049 234.759 300.000 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284.104 300.000 6.374 5 - 330000 3300.00 31.955 -49.163 -17.207 4.05 0.429 0.700 0.450 0.143 289.915 300.000 6.045 5 - 340000 3400.00 32.298 -49.504 -17.206 3.98 0.357 0.750 0.475 0.081 293.025 300.000 6.285 5 - 350000 3500.00 26.337 -43.542 -17.205 4.06 0.286 0.778 0.396 0.081 238.945 300.000 6.245 5 - 360000 3600.00 33.951 -51.160 -17.209 3.97 0.500 0.650 0.357 0.081 308.023 300.000 6.295 5 - 370000 3700.00 32.257 -49.465 -17.208 3.94 0.429 0.625 0.401 0.083 292.652 300.000 6.312 5 - 380000 3800.00 30.248 -47.459 -17.210 3.67 0.429 0.600 0.376 0.064 274.429 300.000 6.314 5 - 390000 3900.00 34.591 -51.799 -17.208 4.15 0.500 0.588 0.406 0.050 313.828 300.000 6.289 5 - 400000 4000.00 33.982 -51.192 -17.210 3.98 0.643 0.550 0.370 0.089 308.302 300.000 6.094 5 - 410000 4100.00 32.369 -49.580 -17.210 4.05 0.643 0.625 0.377 0.044 293.672 300.000 6.289 5 - 420000 4200.00 30.071 -47.278 -17.207 3.91 0.500 0.650 0.423 0.103 272.815 300.000 6.293 5 - 430000 4300.00 36.592 -53.801 -17.209 3.61 0.429 0.667 0.379 0.100 331.980 300.000 6.426 5 - 440000 4400.00 31.736 -48.943 -17.208 3.35 0.571 0.500 0.347 0.120 287.924 300.000 6.688 5 - 450000 4500.00 21.471 -38.677 -17.206 4.04 0.429 0.600 0.376 0.090 194.793 300.000 6.565 5 - 460000 4600.00 30.802 -48.011 -17.210 3.48 0.500 0.562 0.332 0.060 279.451 300.000 6.407 5 - 470000 4700.00 28.281 -45.491 -17.210 3.59 0.357 0.688 0.369 0.055 256.577 300.000 6.602 5 - 480000 4800.00 28.636 -45.842 -17.206 3.65 0.500 0.611 0.369 0.064 259.800 300.000 6.479 5 - 490000 4900.00 27.848 -45.056 -17.207 4.01 0.571 0.500 0.332 0.065 252.652 300.000 6.442 5 - 500000 5000.00 31.270 -48.477 -17.207 3.73 0.500 0.632 0.411 0.063 283.698 300.000 6.490 5 - 510000 5100.00 31.357 -48.565 -17.208 3.94 0.286 0.750 0.372 0.090 284.485 300.000 6.638 5 - 520000 5200.00 26.362 -43.568 -17.206 4.20 0.214 0.800 0.373 0.086 239.173 300.000 6.567 5 - 530000 5300.00 26.581 -43.787 -17.206 3.75 0.214 0.769 0.371 0.065 241.160 300.000 6.530 5 - 540000 5400.00 30.156 -47.361 -17.205 3.83 0.357 0.667 0.394 0.057 273.591 300.000 6.412 5 - 550000 5500.00 28.221 -45.426 -17.204 3.86 0.286 0.692 0.360 0.078 256.039 300.000 6.352 5 - 560000 5600.00 28.553 -45.757 -17.204 4.09 0.429 0.684 0.414 0.088 259.045 300.000 6.210 5 - 570000 5700.00 30.772 -47.976 -17.204 4.13 0.571 0.579 0.414 0.090 279.180 300.000 6.215 5 - 580000 5800.00 27.465 -44.668 -17.203 4.12 0.429 0.667 0.407 0.068 249.173 300.000 6.236 5 - 590000 5900.00 30.748 -47.951 -17.203 4.00 0.286 0.750 0.466 0.041 278.964 300.000 6.558 5 - 600000 6000.00 32.638 -49.842 -17.204 3.35 0.571 0.333 0.330 0.035 296.109 300.000 6.760 5 - 610000 6100.00 29.210 -46.414 -17.204 2.81 0.357 0.643 0.390 0.075 265.010 300.000 6.802 5 - 620000 6200.00 22.709 -39.913 -17.204 2.80 0.643 0.400 0.348 0.061 206.029 300.000 6.640 5 - 630000 6300.00 27.107 -44.311 -17.204 3.49 0.286 0.750 0.321 0.040 245.927 300.000 7.025 5 - 640000 6400.00 33.080 -50.284 -17.204 3.22 0.357 0.643 0.321 0.052 300.121 300.000 6.768 5 - 650000 6500.00 27.563 -44.766 -17.202 2.93 0.357 0.583 0.364 0.093 250.069 300.000 6.705 5 - 660000 6600.00 25.279 -42.483 -17.204 3.36 0.429 0.600 0.324 0.067 229.340 300.000 6.753 5 - 670000 6700.00 30.210 -47.413 -17.203 3.03 0.571 0.529 0.337 0.078 274.085 300.000 6.712 5 - 680000 6800.00 28.270 -45.473 -17.203 3.66 0.429 0.647 0.388 0.068 256.477 300.000 6.764 5 - 690000 6900.00 30.322 -47.527 -17.204 3.60 0.429 0.455 0.285 0.113 275.101 300.000 6.982 5 - 700000 7000.00 33.320 -50.525 -17.205 3.01 0.429 0.538 0.290 0.090 302.297 300.000 6.731 5 - 710000 7100.00 29.365 -46.569 -17.204 3.11 0.429 0.571 0.393 0.067 266.411 300.000 6.564 5 - 720000 7200.00 31.446 -48.650 -17.204 3.99 0.286 0.714 0.380 0.053 285.297 300.000 6.672 5 - 730000 7300.00 32.463 -49.667 -17.204 4.08 0.429 0.667 0.422 0.067 294.524 300.000 6.605 5 - 740000 7400.00 28.331 -45.534 -17.203 3.99 0.286 0.750 0.420 0.073 257.033 300.000 6.419 5 - 750000 7500.00 26.442 -43.646 -17.204 3.51 0.429 0.571 0.373 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a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB006.stat +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB006.stat @@ -1,101 +1,101 @@ - 0 0.00 34.714 -51.451 -16.737 2.26 0.786 0.476 0.357 0.199 314.941 300.000 6.690 6 - 10000 100.00 24.178 -40.915 -16.737 1.64 0.571 0.333 0.307 0.051 219.356 300.000 6.819 6 - 20000 200.00 28.523 -45.260 -16.737 1.87 0.571 0.429 0.325 0.069 258.776 300.000 6.828 6 - 30000 300.00 30.317 -47.055 -16.738 2.45 0.571 0.429 0.276 0.069 275.049 300.000 6.542 6 - 40000 400.00 28.801 -45.538 -16.737 2.50 0.643 0.400 0.261 0.057 261.301 300.000 6.347 6 - 50000 500.00 30.782 -47.519 -16.737 2.03 0.643 0.438 0.287 0.055 279.267 300.000 6.847 6 - 60000 600.00 33.764 -50.503 -16.739 1.97 0.786 0.389 0.354 0.072 306.327 300.000 6.656 6 - 70000 700.00 25.975 -42.713 -16.738 1.98 0.643 0.438 0.426 0.130 235.658 300.000 6.878 6 - 80000 800.00 26.585 -43.320 -16.736 1.96 0.357 0.444 0.217 0.020 241.189 300.000 7.188 6 - 90000 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a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB007.stat b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB007.stat index ff4b8fc..c4a07f0 100644 --- a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB007.stat +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_GB007.stat @@ -1,101 +1,101 @@ - 0 0.00 38.789 -51.451 -12.661 2.26 0.786 0.476 0.357 0.199 351.916 300.000 6.690 7 - 10000 100.00 31.064 -43.723 -12.659 1.63 0.500 0.562 0.310 0.096 281.824 300.000 6.683 7 - 20000 200.00 33.617 -46.277 -12.660 2.51 0.500 0.364 0.339 0.073 304.991 300.000 6.894 7 - 30000 300.00 31.358 -44.018 -12.660 2.63 0.357 0.444 0.197 0.077 284.495 300.000 7.011 7 - 40000 400.00 26.130 -38.788 -12.659 1.69 0.500 0.500 0.302 0.099 237.063 300.000 6.673 7 - 50000 500.00 32.523 -45.183 -12.660 2.78 0.429 0.600 0.297 0.050 295.065 300.000 6.748 7 - 60000 600.00 31.053 -43.712 -12.660 2.69 0.357 0.615 0.343 0.042 281.725 300.000 6.780 7 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300.000 6.793 7 + 460000 4600.00 29.920 -49.576 -19.657 3.00 0.214 0.812 0.310 0.072 271.446 300.000 6.474 7 + 470000 4700.00 31.618 -51.274 -19.656 2.56 0.286 0.692 0.311 0.098 286.854 300.000 6.650 7 + 480000 4800.00 27.000 -46.655 -19.655 2.15 0.643 0.400 0.318 0.082 244.956 300.000 6.630 7 + 490000 4900.00 33.002 -52.656 -19.655 2.17 0.571 0.579 0.313 0.071 299.409 300.000 6.530 7 + 500000 5000.00 29.906 -49.561 -19.656 2.16 0.357 0.667 0.279 0.054 271.318 300.000 6.645 7 + 510000 5100.00 31.981 -51.635 -19.655 2.22 0.286 0.667 0.330 0.059 290.144 300.000 6.699 7 + 520000 5200.00 33.705 -53.362 -19.657 2.67 0.429 0.625 0.321 0.084 305.792 300.000 6.550 7 + 530000 5300.00 29.119 -48.775 -19.656 3.30 0.286 0.692 0.364 0.082 264.187 300.000 6.267 7 + 540000 5400.00 27.346 -47.001 -19.655 3.23 0.500 0.588 0.278 0.097 248.095 300.000 6.441 7 + 550000 5500.00 27.410 -47.065 -19.655 2.63 0.429 0.625 0.335 0.044 248.674 300.000 6.231 7 + 560000 5600.00 26.505 -46.160 -19.655 3.25 0.429 0.571 0.279 0.168 240.467 300.000 6.924 7 + 570000 5700.00 24.783 -44.439 -19.656 2.92 0.286 0.692 0.301 0.088 224.844 300.000 6.775 7 + 580000 5800.00 31.693 -51.347 -19.654 2.54 0.571 0.500 0.324 0.064 287.534 300.000 6.606 7 + 590000 5900.00 29.229 -48.885 -19.656 2.50 0.357 0.375 0.352 0.070 265.180 300.000 6.749 7 + 600000 6000.00 34.144 -53.797 -19.654 3.25 0.500 0.500 0.221 0.055 309.768 300.000 6.947 7 + 610000 6100.00 30.365 -50.020 -19.656 2.56 0.571 0.467 0.312 0.070 275.484 300.000 6.834 7 + 620000 6200.00 32.182 -51.835 -19.653 2.19 0.500 0.462 0.276 0.044 291.972 300.000 6.816 7 + 630000 6300.00 34.450 -54.104 -19.654 3.91 0.357 0.706 0.294 0.093 312.547 300.000 6.784 7 + 640000 6400.00 33.228 -52.880 -19.652 2.24 0.500 0.650 0.277 0.036 301.462 300.000 6.694 7 + 650000 6500.00 30.043 -49.695 -19.652 2.97 0.500 0.611 0.303 0.098 272.563 300.000 6.732 7 + 660000 6600.00 27.398 -47.049 -19.651 2.57 0.500 0.462 0.290 0.079 248.569 300.000 7.113 7 + 670000 6700.00 27.666 -47.317 -19.652 2.84 0.500 0.533 0.215 0.052 250.999 300.000 7.227 7 + 680000 6800.00 26.219 -45.871 -19.652 2.73 0.286 0.692 0.304 0.080 237.872 300.000 6.293 7 + 690000 6900.00 28.892 -48.544 -19.652 2.80 0.286 0.667 0.265 0.063 262.123 300.000 6.198 7 + 700000 7000.00 26.595 -46.247 -19.652 3.15 0.357 0.545 0.293 0.071 241.281 300.000 6.558 7 + 710000 7100.00 28.465 -48.118 -19.653 3.13 0.286 0.667 0.265 0.055 258.246 300.000 6.768 7 + 720000 7200.00 30.290 -49.942 -19.652 2.47 0.500 0.562 0.301 0.064 274.803 300.000 6.561 7 + 730000 7300.00 30.215 -49.870 -19.654 2.68 0.143 0.778 0.227 0.096 274.129 300.000 6.681 7 + 740000 7400.00 31.425 -51.079 -19.653 3.50 0.500 0.632 0.402 0.106 285.107 300.000 6.067 7 + 750000 7500.00 30.865 -50.519 -19.654 3.56 0.286 0.636 0.347 0.032 280.027 300.000 6.878 7 + 760000 7600.00 30.185 -49.838 -19.654 3.08 0.429 0.571 0.263 0.051 273.852 300.000 6.942 7 + 770000 7700.00 32.726 -52.379 -19.654 3.11 0.357 0.667 0.394 0.064 296.906 300.000 6.699 7 + 780000 7800.00 27.344 -46.995 -19.652 3.00 0.500 0.364 0.364 0.059 248.075 300.000 6.693 7 + 790000 7900.00 29.227 -48.880 -19.653 3.17 0.429 0.571 0.308 0.076 265.158 300.000 6.584 7 + 800000 8000.00 27.163 -46.813 -19.650 2.86 0.357 0.615 0.259 0.074 246.441 300.000 6.759 7 + 810000 8100.00 28.049 -47.701 -19.652 2.79 0.429 0.500 0.383 0.079 254.474 300.000 6.948 7 + 820000 8200.00 27.797 -47.450 -19.653 3.16 0.429 0.600 0.300 0.064 252.190 300.000 6.647 7 + 830000 8300.00 28.714 -48.365 -19.651 3.03 0.500 0.632 0.321 0.053 260.505 300.000 6.620 7 + 840000 8400.00 30.107 -49.761 -19.653 2.45 0.357 0.667 0.321 0.084 273.150 300.000 6.728 7 + 850000 8500.00 31.581 -51.232 -19.651 2.50 0.429 0.647 0.350 0.053 286.516 300.000 6.555 7 + 860000 8600.00 35.722 -55.375 -19.653 2.61 0.500 0.611 0.343 0.077 324.092 300.000 6.375 7 + 870000 8700.00 33.206 -52.860 -19.654 2.31 0.571 0.500 0.307 0.055 301.259 300.000 6.609 7 + 880000 8800.00 27.810 -47.461 -19.652 2.33 0.357 0.667 0.288 0.042 252.304 300.000 6.715 7 + 890000 8900.00 35.621 -55.276 -19.655 2.50 0.429 0.667 0.351 0.090 323.171 300.000 6.374 7 + 900000 9000.00 28.087 -47.738 -19.651 2.59 0.500 0.611 0.412 0.128 254.821 300.000 6.348 7 + 910000 9100.00 35.598 -55.251 -19.653 3.08 0.429 0.750 0.405 0.048 322.964 300.000 6.046 7 + 920000 9200.00 32.108 -51.761 -19.652 2.78 0.429 0.600 0.391 0.141 291.302 300.000 6.320 7 + 930000 9300.00 31.112 -50.763 -19.651 2.38 0.429 0.600 0.327 0.100 282.262 300.000 6.266 7 + 940000 9400.00 26.502 -46.151 -19.649 2.17 0.429 0.538 0.308 0.062 240.439 300.000 6.495 7 + 950000 9500.00 24.608 -44.258 -19.650 2.14 0.357 0.643 0.250 0.042 223.255 300.000 6.580 7 + 960000 9600.00 23.842 -43.492 -19.650 2.47 0.571 0.556 0.273 0.040 216.303 300.000 6.258 7 + 970000 9700.00 30.257 -49.908 -19.651 2.63 0.429 0.625 0.290 0.069 274.510 300.000 6.333 7 + 980000 9800.00 28.937 -48.589 -19.652 2.34 0.143 0.818 0.310 0.073 262.531 300.000 6.858 7 + 990000 9900.00 26.281 -45.931 -19.650 2.10 0.357 0.615 0.301 0.057 238.431 300.000 6.672 7 + 1000000 10000.00 30.824 -50.476 -19.652 1.82 0.500 0.650 0.357 0.048 279.648 300.000 6.562 7 diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD000.cx b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD000.cx index fa807fc..fe7221e 100644 Binary files a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD000.cx and b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD000.cx differ diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD001.cx b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD001.cx index 782755a..61979e7 100644 Binary files a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD001.cx and b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD001.cx differ diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD002.cx 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21657e0..f001c23 100644 Binary files a/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD007.cx and b/examples/unres/MD/microcanonical/RESPA/ff_gab/outputs/1L2Y_micro_MD007.cx differ diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/start.mat b/examples/unres/MD/microcanonical/RESPA/ff_gab/start.mat index efd6f4f..b9cf311 100755 --- a/examples/unres/MD/microcanonical/RESPA/ff_gab/start.mat +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N micro-gab-respa +#PBS -N Ber-gab-micro #PBS -q dque #PBS -l nodes=1:ppn=8 -# #PBS -l mem=2gb #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/MD/microcanonical/RESPA/ff_gab/unres.csh b/examples/unres/MD/microcanonical/RESPA/ff_gab/unres.csh index 3759520..d09c98e 100755 --- a/examples/unres/MD/microcanonical/RESPA/ff_gab/unres.csh +++ b/examples/unres/MD/microcanonical/RESPA/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_micro setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/1L2Y_micro.inp b/examples/unres/MD/microcanonical/VTS/ff_gab/1L2Y_micro.inp index 5ab5099..bb2d04b 100644 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/1L2Y_micro.inp +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/1L2Y_micro.inp @@ -7,7 +7,7 @@ WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & WVDWPP=0.11371 WHPB=1.00000 & CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 -../../../1L2Y.pdb +../../../../1L2Y.pdb 22 D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO SER D diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro.out_GB000 b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro.out_GB000 index 88e6ca1..f5de123 100644 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro.out_GB000 +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_micro.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -145,8 +134,9 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 -PDB data will be read from file ../../../1L2Y.pdb + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 +PDB data will be read from file ../../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB 1 21 D -9.841 4.399 -5.051 -9.841 4.399 -5.051 @@ -304,7 +294,7 @@ Mesoscopic molecular dynamics (MD) calculation. 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 7.350442094070002E-018 -1.983088023295969E-017 2.245968417632500E-018 + 2.450147364690000E-018 3.126490126817969E-017 6.737905252897502E-018 alpha-carbon coordinates centroid coordinates @@ -344,63 +334,63 @@ TRP 7 3.800 84.466 51.434 2.605 152.178 38.024 LEU 8 3.800 83.945 53.508 1.939 159.052 179.471 LYS 9 3.800 85.396 60.569 2.541 100.558 -73.090 ASP 10 3.800 91.449 44.177 1.709 139.961 -144.797 -GLY 11 3.800 94.602 67.604 0.000 180.000 180.000 -GLY 12 3.800 101.862 -72.814 0.000 180.000 180.000 +GLY 11 3.800 94.602 67.604 0.000 0.000 180.000 +GLY 12 3.800 101.862 -72.814 0.000 0.000 180.000 PRO 13 3.800 119.363 -61.916 1.345 117.453 -133.163 SER 14 3.800 94.363 -75.894 1.150 137.025 -106.659 SER 15 3.800 96.264 67.358 1.150 146.290 -130.306 -GLY 16 3.800 138.119 129.701 0.000 180.000 180.000 +GLY 16 3.800 138.119 129.701 0.000 0.000 180.000 ARG 17 3.800 96.299 -95.571 3.020 93.901 -102.747 PRO 18 3.800 129.702 63.972 1.345 101.025 -111.641 PRO 19 3.800 109.445 -74.504 1.345 113.043 -122.045 PRO 20 3.800 106.349 -122.306 1.345 93.777 -102.374 SER 21 3.800 106.042 -134.605 1.150 153.835 -143.303 -D 22 3.800 108.718 92.113 0.000 180.000 180.000 +D 22 3.800 108.718 92.113 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -4.436790E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 5.228224E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -1.132072E+02 WEIGHT= 7.153400D-01 (p-p) -EVDWPP= 2.375178E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 6.779273E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= -1.651995E+01 WEIGHT= 1.138730D+00 (bending) -ESC= 7.185904E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 8.243370E+00 WEIGHT= 1.985990D+00 (torsional) -ETORSD= 2.390466E+00 WEIGHT= 1.570690D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -8.338619E+01 WEIGHT= 4.288700D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= -5.753258E+00 WEIGHT= 1.603600D-01 (electrostatic-local) -ETURN3= 1.901845E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) -ETURN4= -7.304754E+00 WEIGHT= 6.623000D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -4.954316E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 5.228224E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -1.132072E+02 WEIGHT= 7.153400E-01 (p-p) +EVDWPP= 2.375178E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 6.779273E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= -1.651995E+01 WEIGHT= 1.138730E+00 (bending) +ESC= 7.185904E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 8.243370E+00 WEIGHT= 1.985990E+00 (torsional) +ETORSD= 2.390466E+00 WEIGHT= 1.570690E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -8.338619E+01 WEIGHT= 4.288700E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= -5.753258E+00 WEIGHT= 1.603600E-01 (electrostatic-local) +ETURN3= 1.901845E+01 WEIGHT= 1.687220E+00 (turns, 3rd order) +ETURN4= -7.304754E+00 WEIGHT= 6.623000E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= -5.145065E+01 (total) +ETOT= -5.845168E+01 (total) Initial: Kinetic energy 3.24616E+01 - potential energy -5.14506E+01 - total energy -1.89891E+01 + potential energy -5.84517E+01 + total energy -2.59901E+01 - maximum acceleration 1.98994E-01 + maximum acceleration 2.04223E-01 =================================== Timing =================================== - MD calculations setup: 7.81250E-03 - Energy & gradient evaluation: 2.64738E+02 + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 2.43230E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 2.96723E+02 + MD steps: 2.62180E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 298.832031250000 sec + Total wall clock time 264.281250000000 sec diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_000.rst b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_000.rst index d5e884f..611459c 100644 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_000.rst +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_000.rst @@ -1,90 +1,90 @@ - 10000.0000001719 26.2693735895280 -45.2613186330000 - -18.9919450434720 300.000000000000 + 10000.0000001719 28.9177465902619 -54.9054510489524 + -25.9877044586905 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - 0.86663E-01 0.14287E+00 0.12731E+00 - 0.79543E-01 -0.26569E+00 -0.82753E-01 - -0.19963E+00 0.15561E+00 0.68305E-02 - -0.16806E-01 -0.25602E+00 -0.75326E-01 - 0.10021E+00 0.65175E-01 0.12093E+00 - 0.12388E-01 0.14695E+00 0.19195E+00 - -0.28258E-01 -0.13058E+00 -0.96304E-01 - -0.18523E+00 0.17259E+00 -0.10264E+00 - 0.21152E+00 -0.23713E+00 -0.84622E-02 - -0.12487E+00 0.16503E+00 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840000 8400.00 28.477 -47.468 -18.991 3.57 0.429 0.667 0.399 0.034 258.354 300.000 6.501 0 - 850000 8500.00 28.669 -47.661 -18.992 4.05 0.357 0.500 0.477 0.044 260.099 300.000 6.550 0 - 860000 8600.00 32.194 -51.186 -18.992 4.13 0.357 0.688 0.341 0.062 292.082 300.000 6.690 0 - 870000 8700.00 31.260 -50.252 -18.992 3.90 0.429 0.647 0.393 0.050 283.608 300.000 6.473 0 - 880000 8800.00 25.934 -44.926 -18.992 3.50 0.571 0.500 0.352 0.104 235.285 300.000 6.450 0 - 890000 8900.00 29.854 -48.845 -18.991 3.93 0.429 0.667 0.371 0.071 270.852 300.000 6.302 0 - 900000 9000.00 25.662 -44.653 -18.992 3.88 0.357 0.615 0.423 0.098 232.815 300.000 6.500 0 - 910000 9100.00 29.995 -48.987 -18.993 4.01 0.500 0.533 0.385 0.109 272.127 300.000 6.172 0 - 920000 9200.00 25.930 -44.922 -18.991 3.92 0.357 0.643 0.416 0.042 235.253 300.000 6.455 0 - 930000 9300.00 30.820 -49.813 -18.993 4.18 0.429 0.647 0.444 0.108 279.616 300.000 6.234 0 - 940000 9400.00 30.925 -49.917 -18.992 4.03 0.500 0.632 0.419 0.049 280.569 300.000 6.143 0 - 950000 9500.00 31.676 -50.666 -18.990 3.78 0.571 0.556 0.391 0.110 287.383 300.000 6.406 0 - 960000 9600.00 29.844 -48.836 -18.993 4.04 0.500 0.632 0.397 0.098 270.756 300.000 6.235 0 - 970000 9700.00 30.544 -49.536 -18.992 3.98 0.500 0.588 0.388 0.065 277.108 300.000 6.542 0 - 980000 9800.00 29.673 -48.666 -18.993 4.16 0.429 0.625 0.366 0.067 269.209 300.000 6.323 0 - 990000 9900.00 26.321 -45.313 -18.992 3.94 0.357 0.615 0.444 0.040 238.796 300.000 6.421 0 - 1000000 10000.00 26.269 -45.261 -18.992 4.24 0.429 0.625 0.409 0.063 238.329 300.000 6.367 0 + 0 0.00 32.462 -58.452 -25.990 2.26 0.786 0.476 0.357 0.204 294.508 300.000 6.690 0 + 10000 100.00 27.701 -53.690 -25.989 1.89 0.571 0.556 0.346 0.038 251.314 300.000 6.651 0 + 20000 200.00 28.342 -54.331 -25.989 2.07 0.500 0.533 0.312 0.084 257.133 300.000 6.921 0 + 30000 300.00 26.526 -52.513 -25.987 2.34 0.571 0.529 0.348 0.019 240.659 300.000 6.618 0 + 40000 400.00 25.283 -51.270 -25.988 3.10 0.429 0.455 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31.690 -57.684 -25.993 2.31 0.571 0.579 0.340 0.043 287.512 300.000 6.328 0 + 270000 2700.00 26.957 -52.948 -25.991 2.30 0.500 0.562 0.301 0.060 244.567 300.000 6.424 0 + 280000 2800.00 27.471 -53.462 -25.991 2.65 0.500 0.611 0.285 0.057 249.230 300.000 6.441 0 + 290000 2900.00 31.157 -57.149 -25.991 2.38 0.571 0.636 0.331 0.109 282.676 300.000 6.453 0 + 300000 3000.00 30.461 -56.454 -25.993 2.40 0.357 0.615 0.367 0.082 276.360 300.000 6.674 0 + 310000 3100.00 25.349 -51.340 -25.990 2.60 0.500 0.611 0.356 0.067 229.982 300.000 6.413 0 + 320000 3200.00 29.541 -55.531 -25.991 2.15 0.500 0.632 0.321 0.036 268.007 300.000 6.566 0 + 330000 3300.00 28.923 -54.913 -25.990 2.19 0.357 0.706 0.278 0.038 262.407 300.000 6.400 0 + 340000 3400.00 26.042 -52.032 -25.991 2.96 0.429 0.625 0.324 0.058 236.264 300.000 6.332 0 + 350000 3500.00 28.631 -54.624 -25.993 2.05 0.500 0.417 0.280 0.158 259.754 300.000 6.700 0 + 360000 3600.00 28.425 -54.415 -25.991 2.14 0.500 0.562 0.327 0.069 257.882 300.000 6.572 0 + 370000 3700.00 31.583 -57.575 -25.992 2.03 0.571 0.529 0.307 0.091 286.540 300.000 6.516 0 + 380000 3800.00 27.205 -53.194 -25.989 2.77 0.357 0.667 0.336 0.040 246.819 300.000 6.365 0 + 390000 3900.00 29.398 -55.388 -25.991 2.03 0.357 0.643 0.331 0.057 266.712 300.000 6.621 0 + 400000 4000.00 30.162 -56.153 -25.991 2.24 0.571 0.556 0.263 0.089 273.646 300.000 6.639 0 + 410000 4100.00 26.699 -52.689 -25.990 2.07 0.214 0.786 0.302 0.067 242.226 300.000 6.698 0 + 420000 4200.00 27.547 -53.538 -25.991 2.94 0.500 0.588 0.267 0.065 249.922 300.000 6.191 0 + 430000 4300.00 25.558 -51.548 -25.990 2.13 0.357 0.667 0.321 0.057 231.876 300.000 6.609 0 + 440000 4400.00 31.822 -57.813 -25.991 2.16 0.286 0.750 0.335 0.096 288.706 300.000 6.466 0 + 450000 4500.00 27.144 -53.134 -25.990 2.47 0.500 0.533 0.285 0.076 246.263 300.000 6.551 0 + 460000 4600.00 26.931 -52.921 -25.989 2.09 0.429 0.625 0.324 0.100 244.335 300.000 6.569 0 + 470000 4700.00 30.401 -56.392 -25.991 2.56 0.429 0.571 0.308 0.058 275.817 300.000 6.353 0 + 480000 4800.00 24.226 -50.216 -25.990 2.94 0.500 0.632 0.385 0.051 219.790 300.000 6.293 0 + 490000 4900.00 29.555 -55.545 -25.990 2.54 0.500 0.588 0.318 0.049 268.135 300.000 6.555 0 + 500000 5000.00 27.069 -53.061 -25.992 1.99 0.500 0.300 0.318 0.087 245.585 300.000 6.704 0 + 510000 5100.00 29.443 -55.434 -25.991 2.26 0.429 0.647 0.337 0.052 267.125 300.000 6.435 0 + 520000 5200.00 26.945 -52.936 -25.991 2.19 0.571 0.619 0.346 0.062 244.456 300.000 6.490 0 + 530000 5300.00 31.900 -57.892 -25.992 2.51 0.500 0.588 0.334 0.079 289.411 300.000 6.521 0 + 540000 5400.00 24.036 -50.026 -25.990 2.53 0.214 0.667 0.268 0.079 218.070 300.000 6.806 0 + 550000 5500.00 23.164 -49.153 -25.990 2.88 0.429 0.647 0.334 0.028 210.152 300.000 6.345 0 + 560000 5600.00 26.752 -52.743 -25.991 2.47 0.571 0.556 0.343 0.062 242.712 300.000 6.442 0 + 570000 5700.00 26.272 -52.262 -25.990 1.99 0.429 0.667 0.275 0.062 238.355 300.000 6.555 0 + 580000 5800.00 31.741 -57.732 -25.991 2.11 0.429 0.625 0.358 0.058 287.970 300.000 6.729 0 + 590000 5900.00 28.705 -54.696 -25.990 2.56 0.500 0.562 0.287 0.044 260.431 300.000 6.463 0 + 600000 6000.00 30.286 -56.276 -25.990 1.99 0.500 0.611 0.313 0.045 274.767 300.000 6.516 0 + 610000 6100.00 26.935 -52.926 -25.991 2.44 0.286 0.692 0.388 0.076 244.367 300.000 6.663 0 + 620000 6200.00 24.510 -50.501 -25.991 2.41 0.357 0.643 0.334 0.086 222.370 300.000 6.456 0 + 630000 6300.00 26.741 -52.731 -25.990 2.62 0.500 0.562 0.330 0.092 242.610 300.000 6.441 0 + 640000 6400.00 29.026 -55.015 -25.989 2.90 0.500 0.611 0.356 0.072 263.339 300.000 6.289 0 + 650000 6500.00 24.436 -50.425 -25.989 2.80 0.429 0.647 0.289 0.052 221.698 300.000 6.539 0 + 660000 6600.00 30.708 -56.697 -25.989 2.40 0.429 0.625 0.261 0.103 278.598 300.000 6.487 0 + 670000 6700.00 27.296 -53.285 -25.989 2.96 0.286 0.714 0.341 0.099 247.640 300.000 6.551 0 + 680000 6800.00 25.176 -51.164 -25.988 2.60 0.429 0.571 0.364 0.058 228.413 300.000 6.606 0 + 690000 6900.00 24.957 -50.946 -25.989 2.40 0.571 0.529 0.337 0.052 226.424 300.000 6.638 0 + 700000 7000.00 30.425 -56.414 -25.990 2.72 0.429 0.647 0.380 0.062 276.029 300.000 6.460 0 + 710000 7100.00 26.725 -52.714 -25.989 2.40 0.500 0.500 0.347 0.040 242.461 300.000 7.084 0 + 720000 7200.00 27.050 -53.040 -25.989 2.42 0.357 0.500 0.327 0.048 245.416 300.000 6.678 0 + 730000 7300.00 24.544 -50.532 -25.988 2.69 0.357 0.583 0.265 0.058 222.674 300.000 7.386 0 + 740000 7400.00 24.316 -50.305 -25.989 4.28 0.286 0.714 0.295 0.081 220.605 300.000 6.901 0 + 750000 7500.00 23.243 -49.233 -25.990 3.36 0.500 0.417 0.424 0.062 210.876 300.000 6.898 0 + 760000 7600.00 24.202 -50.190 -25.988 3.11 0.357 0.583 0.258 0.061 219.569 300.000 7.265 0 + 770000 7700.00 21.921 -47.909 -25.989 3.73 0.357 0.583 0.341 0.059 198.876 300.000 7.126 0 + 780000 7800.00 22.627 -48.614 -25.987 3.56 0.286 0.692 0.273 0.044 205.284 300.000 7.129 0 + 790000 7900.00 23.418 -49.406 -25.988 3.55 0.429 0.571 0.208 0.076 212.459 300.000 7.177 0 + 800000 8000.00 24.577 -50.566 -25.989 3.82 0.357 0.583 0.345 0.111 222.977 300.000 6.838 0 + 810000 8100.00 20.680 -46.667 -25.988 3.70 0.357 0.375 0.358 0.065 187.616 300.000 6.895 0 + 820000 8200.00 24.479 -50.469 -25.990 3.32 0.357 0.667 0.300 0.068 222.088 300.000 7.114 0 + 830000 8300.00 25.537 -51.526 -25.989 2.83 0.357 0.545 0.252 0.053 231.684 300.000 7.036 0 + 840000 8400.00 16.992 -42.979 -25.987 3.06 0.429 0.600 0.348 0.039 154.159 300.000 6.914 0 + 850000 8500.00 22.614 -48.601 -25.987 2.41 0.714 0.412 0.302 0.035 205.166 300.000 6.787 0 + 860000 8600.00 29.872 -55.861 -25.988 2.94 0.500 0.462 0.371 0.045 271.016 300.000 7.032 0 + 870000 8700.00 25.675 -51.663 -25.988 3.54 0.286 0.600 0.291 0.062 232.935 300.000 7.152 0 + 880000 8800.00 23.961 -49.949 -25.989 3.37 0.357 0.583 0.280 0.065 217.382 300.000 7.053 0 + 890000 8900.00 21.798 -47.785 -25.986 2.08 0.429 0.571 0.260 0.049 197.765 300.000 6.805 0 + 900000 9000.00 26.300 -52.289 -25.989 2.04 0.286 0.692 0.276 0.054 238.611 300.000 6.731 0 + 910000 9100.00 28.440 -54.428 -25.988 2.06 0.357 0.667 0.324 0.045 258.021 300.000 6.591 0 + 920000 9200.00 21.367 -47.355 -25.988 2.26 0.286 0.636 0.289 0.036 193.854 300.000 7.010 0 + 930000 9300.00 27.820 -53.809 -25.989 2.00 0.214 0.786 0.331 0.047 252.397 300.000 6.757 0 + 940000 9400.00 22.370 -48.357 -25.988 2.32 0.286 0.636 0.318 0.059 202.948 300.000 6.728 0 + 950000 9500.00 22.378 -48.367 -25.989 2.41 0.357 0.615 0.255 0.054 203.021 300.000 6.994 0 + 960000 9600.00 27.060 -53.048 -25.989 3.26 0.357 0.615 0.318 0.055 245.498 300.000 6.624 0 + 970000 9700.00 29.098 -55.087 -25.990 1.81 0.500 0.462 0.374 0.072 263.988 300.000 6.476 0 + 980000 9800.00 27.444 -53.433 -25.988 2.35 0.357 0.688 0.256 0.089 248.987 300.000 6.722 0 + 990000 9900.00 23.957 -49.945 -25.988 2.22 0.571 0.529 0.294 0.030 217.350 300.000 6.737 0 + 1000000 10000.00 28.918 -54.905 -25.988 2.25 0.429 0.500 0.295 0.049 262.357 300.000 6.516 0 diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB001.stat b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB001.stat index 48d11f1..8bbd694 100644 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB001.stat +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB001.stat @@ -1,101 +1,101 @@ - 0 0.00 30.478 -51.451 -20.973 2.26 0.786 0.476 0.357 0.199 276.511 300.000 6.690 1 - 10000 100.00 27.582 -48.552 -20.970 1.91 0.571 0.529 0.342 0.046 250.234 300.000 6.737 1 - 20000 200.00 25.105 -46.074 -20.970 1.84 0.643 0.471 0.297 0.041 227.762 300.000 6.670 1 - 30000 300.00 32.171 -53.141 -20.970 1.93 0.500 0.588 0.313 0.051 291.876 300.000 6.617 1 - 40000 400.00 24.586 -45.557 -20.971 1.83 0.429 0.500 0.273 0.046 223.060 300.000 6.973 1 - 50000 500.00 27.130 -48.102 -20.971 1.65 0.571 0.467 0.282 0.051 246.140 300.000 6.953 1 - 60000 600.00 28.432 -49.403 -20.972 1.79 0.571 0.385 0.392 0.076 257.949 300.000 6.932 1 - 70000 700.00 24.231 -45.202 -20.971 2.08 0.571 0.273 0.335 0.060 219.838 300.000 6.792 1 - 80000 800.00 25.606 -46.578 -20.972 1.97 0.500 0.462 0.406 0.078 232.310 300.000 6.776 1 - 90000 900.00 24.732 -45.704 -20.972 1.67 0.571 0.333 0.352 0.065 224.382 300.000 6.707 1 - 100000 1000.00 34.059 -55.031 -20.972 2.03 0.429 0.538 0.294 0.072 309.003 300.000 6.765 1 - 110000 1100.00 29.936 -50.909 -20.973 2.70 0.429 0.571 0.260 0.077 271.597 300.000 6.649 1 - 120000 1200.00 28.524 -49.498 -20.974 3.29 0.357 0.583 0.269 0.065 258.783 300.000 6.752 1 - 130000 1300.00 28.141 -49.111 -20.970 2.61 0.429 0.600 0.261 0.035 255.308 300.000 6.748 1 - 140000 1400.00 28.229 -49.201 -20.972 3.39 0.357 0.688 0.327 0.070 256.111 300.000 6.504 1 - 150000 1500.00 27.350 -48.325 -20.975 3.90 0.357 0.688 0.295 0.149 248.130 300.000 6.533 1 - 160000 1600.00 28.062 -49.033 -20.971 2.81 0.500 0.611 0.295 0.052 254.589 300.000 6.684 1 - 170000 1700.00 26.082 -47.054 -20.972 3.65 0.429 0.600 0.312 0.053 236.628 300.000 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0.044 218.419 300.000 6.796 1 - 720000 7200.00 21.410 -42.383 -20.974 2.75 0.429 0.571 0.325 0.062 194.240 300.000 6.553 1 - 730000 7300.00 26.330 -47.304 -20.974 2.23 0.357 0.667 0.233 0.073 238.881 300.000 7.176 1 - 740000 7400.00 22.477 -43.451 -20.975 3.77 0.143 0.818 0.285 0.051 203.921 300.000 6.450 1 - 750000 7500.00 25.404 -46.379 -20.975 3.87 0.429 0.647 0.307 0.086 230.481 300.000 6.315 1 - 760000 7600.00 26.150 -47.126 -20.976 2.20 0.571 0.385 0.350 0.070 237.246 300.000 7.122 1 - 770000 7700.00 28.258 -49.232 -20.974 3.23 0.429 0.571 0.312 0.070 256.368 300.000 6.661 1 - 780000 7800.00 19.221 -40.194 -20.973 3.74 0.214 0.625 0.318 0.039 174.386 300.000 6.859 1 - 790000 7900.00 26.141 -47.114 -20.973 3.18 0.214 0.786 0.305 0.110 237.167 300.000 6.362 1 - 800000 8000.00 31.434 -52.409 -20.975 2.64 0.500 0.562 0.290 0.072 285.186 300.000 6.572 1 - 810000 8100.00 28.151 -49.126 -20.975 2.63 0.500 0.650 0.339 0.079 255.401 300.000 6.468 1 - 820000 8200.00 28.108 -49.084 -20.976 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28.154 -49.129 -20.975 3.35 0.429 0.647 0.364 0.058 255.431 300.000 6.838 1 - 940000 9400.00 20.205 -41.180 -20.976 3.23 0.357 0.615 0.325 0.087 183.307 300.000 6.861 1 - 950000 9500.00 25.391 -46.367 -20.976 3.30 0.357 0.643 0.321 0.061 230.358 300.000 6.557 1 - 960000 9600.00 28.839 -49.815 -20.976 3.39 0.214 0.769 0.360 0.058 261.642 300.000 6.562 1 - 970000 9700.00 29.821 -50.797 -20.976 3.02 0.500 0.611 0.343 0.074 270.553 300.000 6.407 1 - 980000 9800.00 29.214 -50.193 -20.979 2.97 0.500 0.500 0.279 0.085 265.047 300.000 6.686 1 - 990000 9900.00 24.764 -45.736 -20.972 2.89 0.357 0.688 0.330 0.031 224.674 300.000 6.759 1 - 1000000 10000.00 29.244 -50.222 -20.977 3.25 0.357 0.737 0.330 0.057 265.320 300.000 6.352 1 + 0 0.00 30.478 -58.452 -27.974 2.26 0.786 0.476 0.357 0.204 276.511 300.000 6.690 1 + 10000 100.00 26.125 -54.096 -27.971 1.60 0.714 0.412 0.326 0.033 237.021 300.000 6.713 1 + 20000 200.00 26.610 -54.582 -27.972 2.83 0.429 0.667 0.343 0.050 241.417 300.000 6.616 1 + 30000 300.00 26.453 -54.426 -27.973 3.30 0.357 0.667 0.333 0.097 239.994 300.000 6.947 1 + 40000 400.00 23.405 -51.378 -27.973 3.37 0.429 0.647 0.361 0.084 212.345 300.000 6.814 1 + 50000 500.00 30.003 -57.976 -27.973 2.59 0.500 0.462 0.231 0.073 272.202 300.000 6.737 1 + 60000 600.00 26.467 -54.438 -27.972 2.84 0.643 0.500 0.270 0.114 240.118 300.000 6.781 1 + 70000 700.00 30.473 -58.446 -27.973 2.62 0.571 0.619 0.288 0.048 276.471 300.000 6.732 1 + 80000 800.00 29.056 -57.029 -27.973 2.55 0.500 0.500 0.276 0.077 263.612 300.000 6.902 1 + 90000 900.00 27.425 -55.400 -27.975 2.46 0.500 0.562 0.264 0.079 248.818 300.000 6.777 1 + 100000 1000.00 24.638 -52.609 -27.971 2.79 0.429 0.500 0.261 0.039 223.531 300.000 6.513 1 + 110000 1100.00 24.337 -52.310 -27.973 2.27 0.643 0.471 0.291 0.084 220.799 300.000 6.944 1 + 120000 1200.00 19.892 -47.862 -27.969 3.39 0.286 0.692 0.325 0.024 180.472 300.000 6.923 1 + 130000 1300.00 26.886 -54.858 -27.973 2.95 0.500 0.533 0.282 0.054 243.921 300.000 6.625 1 + 140000 1400.00 29.738 -57.712 -27.973 3.36 0.429 0.647 0.273 0.066 269.801 300.000 6.628 1 + 150000 1500.00 24.092 -52.063 -27.971 2.59 0.500 0.533 0.306 0.055 218.575 300.000 6.758 1 + 160000 1600.00 22.455 -50.427 -27.972 3.09 0.429 0.625 0.310 0.056 203.724 300.000 6.667 1 + 170000 1700.00 26.835 -54.808 -27.972 2.66 0.357 0.615 0.269 0.049 243.465 300.000 6.947 1 + 180000 1800.00 27.031 -55.000 -27.970 2.99 0.429 0.571 0.221 0.063 245.238 300.000 6.936 1 + 190000 1900.00 28.390 -56.359 -27.969 3.21 0.571 0.529 0.305 0.074 257.565 300.000 6.447 1 + 200000 2000.00 22.478 -50.446 -27.968 3.24 0.357 0.667 0.255 0.083 203.928 300.000 6.864 1 + 210000 2100.00 28.095 -56.064 -27.969 3.04 0.500 0.562 0.278 0.052 254.895 300.000 6.751 1 + 220000 2200.00 29.107 -57.076 -27.969 4.06 0.286 0.692 0.371 0.051 264.078 300.000 6.726 1 + 230000 2300.00 26.385 -54.353 -27.968 3.88 0.357 0.667 0.367 0.077 239.377 300.000 6.553 1 + 240000 2400.00 22.407 -50.376 -27.970 3.28 0.286 0.714 0.364 0.044 203.284 300.000 7.068 1 + 250000 2500.00 26.422 -54.391 -27.969 3.25 0.357 0.615 0.322 0.074 239.711 300.000 6.821 1 + 260000 2600.00 28.681 -56.651 -27.970 2.68 0.500 0.533 0.285 0.071 260.207 300.000 6.765 1 + 270000 2700.00 22.312 -50.281 -27.969 2.74 0.571 0.556 0.308 0.053 202.424 300.000 6.533 1 + 280000 2800.00 29.529 -57.499 -27.970 2.84 0.643 0.500 0.268 0.098 267.900 300.000 6.553 1 + 290000 2900.00 28.150 -56.120 -27.970 2.72 0.500 0.562 0.304 0.063 255.393 300.000 6.362 1 + 300000 3000.00 34.626 -62.597 -27.971 2.55 0.500 0.611 0.280 0.076 314.145 300.000 6.681 1 + 310000 3100.00 23.857 -51.825 -27.968 3.16 0.500 0.500 0.295 0.049 216.444 300.000 6.588 1 + 320000 3200.00 33.442 -61.413 -27.971 2.68 0.429 0.684 0.294 0.094 303.404 300.000 6.594 1 + 330000 3300.00 22.811 -50.780 -27.969 2.55 0.429 0.700 0.332 0.063 206.954 300.000 6.683 1 + 340000 3400.00 31.766 -59.737 -27.971 2.77 0.571 0.500 0.278 0.045 288.198 300.000 6.601 1 + 350000 3500.00 22.138 -50.107 -27.969 2.76 0.500 0.533 0.264 0.079 200.847 300.000 6.555 1 + 360000 3600.00 27.732 -55.701 -27.969 2.96 0.571 0.556 0.265 0.093 251.602 300.000 6.783 1 + 370000 3700.00 28.038 -56.009 -27.970 3.03 0.500 0.611 0.313 0.083 254.378 300.000 6.585 1 + 380000 3800.00 31.003 -58.972 -27.969 2.82 0.571 0.579 0.273 0.061 281.273 300.000 6.550 1 + 390000 3900.00 31.811 -59.783 -27.972 2.65 0.500 0.562 0.230 0.073 288.603 300.000 6.628 1 + 400000 4000.00 29.476 -57.445 -27.969 3.25 0.500 0.562 0.276 0.050 267.421 300.000 6.544 1 + 410000 4100.00 22.005 -49.974 -27.968 3.35 0.357 0.615 0.308 0.053 199.643 300.000 6.703 1 + 420000 4200.00 31.596 -59.567 -27.971 2.81 0.429 0.625 0.261 0.089 286.657 300.000 6.654 1 + 430000 4300.00 30.200 -58.171 -27.971 2.48 0.571 0.556 0.301 0.042 273.992 300.000 6.703 1 + 440000 4400.00 24.203 -52.174 -27.971 3.33 0.214 0.750 0.299 0.066 219.580 300.000 6.553 1 + 450000 4500.00 27.112 -55.083 -27.971 3.27 0.357 0.615 0.234 0.089 245.970 300.000 6.961 1 + 460000 4600.00 28.172 -56.143 -27.971 2.66 0.429 0.625 0.318 0.105 255.588 300.000 6.815 1 + 470000 4700.00 26.696 -54.666 -27.970 2.64 0.500 0.562 0.290 0.089 242.203 300.000 6.775 1 + 480000 4800.00 28.813 -56.785 -27.972 4.19 0.357 0.667 0.267 0.174 261.411 300.000 6.524 1 + 490000 4900.00 24.825 -52.796 -27.971 2.84 0.500 0.500 0.299 0.084 225.227 300.000 6.784 1 + 500000 5000.00 28.230 -56.201 -27.971 2.96 0.571 0.529 0.251 0.050 256.117 300.000 7.020 1 + 510000 5100.00 27.286 -55.257 -27.971 3.56 0.286 0.733 0.276 0.057 247.550 300.000 6.711 1 + 520000 5200.00 27.155 -55.128 -27.974 3.45 0.357 0.643 0.325 0.111 246.361 300.000 6.570 1 + 530000 5300.00 26.964 -54.934 -27.971 3.16 0.286 0.714 0.364 0.044 244.627 300.000 6.562 1 + 540000 5400.00 27.356 -55.326 -27.970 3.35 0.429 0.647 0.321 0.043 248.190 300.000 6.492 1 + 550000 5500.00 26.963 -54.933 -27.970 3.37 0.357 0.615 0.357 0.067 244.621 300.000 6.818 1 + 560000 5600.00 24.134 -52.105 -27.970 3.53 0.429 0.600 0.303 0.069 218.959 300.000 6.870 1 + 570000 5700.00 25.429 -53.398 -27.970 3.45 0.500 0.533 0.294 0.101 230.702 300.000 6.548 1 + 580000 5800.00 25.811 -53.782 -27.971 2.97 0.429 0.667 0.293 0.079 234.167 300.000 6.551 1 + 590000 5900.00 21.317 -49.287 -27.970 2.88 0.429 0.500 0.273 0.097 193.397 300.000 6.784 1 + 600000 6000.00 21.624 -49.594 -27.970 2.76 0.357 0.643 0.367 0.055 196.185 300.000 6.776 1 + 610000 6100.00 26.000 -53.972 -27.971 2.81 0.500 0.588 0.348 0.052 235.889 300.000 6.710 1 + 620000 6200.00 24.624 -52.595 -27.971 2.80 0.429 0.538 0.322 0.136 223.404 300.000 6.961 1 + 630000 6300.00 24.175 -52.144 -27.970 3.44 0.429 0.571 0.344 0.054 219.325 300.000 6.401 1 + 640000 6400.00 23.287 -51.256 -27.970 3.07 0.571 0.385 0.357 0.049 211.267 300.000 6.616 1 + 650000 6500.00 28.946 -56.918 -27.973 3.38 0.286 0.667 0.379 0.084 262.611 300.000 6.661 1 + 660000 6600.00 26.527 -54.499 -27.972 2.95 0.357 0.583 0.409 0.043 240.669 300.000 6.906 1 + 670000 6700.00 22.990 -50.960 -27.970 3.34 0.571 0.500 0.352 0.046 208.576 300.000 6.618 1 + 680000 6800.00 24.840 -52.811 -27.971 3.58 0.429 0.600 0.415 0.037 225.362 300.000 6.616 1 + 690000 6900.00 29.807 -57.779 -27.972 3.26 0.571 0.556 0.364 0.080 270.426 300.000 6.538 1 + 700000 7000.00 26.234 -54.205 -27.971 2.60 0.429 0.625 0.259 0.045 238.009 300.000 6.682 1 + 710000 7100.00 25.002 -52.974 -27.972 3.38 0.571 0.429 0.331 0.084 226.833 300.000 6.672 1 + 720000 7200.00 34.008 -61.980 -27.972 3.06 0.429 0.538 0.346 0.041 308.536 300.000 6.505 1 + 730000 7300.00 24.448 -52.419 -27.971 3.21 0.500 0.611 0.295 0.069 221.801 300.000 6.699 1 + 740000 7400.00 25.964 -53.936 -27.972 3.08 0.429 0.625 0.295 0.068 235.559 300.000 6.623 1 + 750000 7500.00 27.271 -55.243 -27.972 3.10 0.357 0.688 0.355 0.086 247.413 300.000 6.628 1 + 760000 7600.00 33.393 -61.365 -27.972 3.50 0.357 0.688 0.304 0.076 302.963 300.000 6.725 1 + 770000 7700.00 27.660 -55.630 -27.970 3.22 0.429 0.455 0.310 0.068 250.943 300.000 6.650 1 + 780000 7800.00 25.373 -53.345 -27.972 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27.717 -55.689 -27.972 3.54 0.429 0.647 0.283 0.068 251.465 300.000 6.831 1 + 900000 9000.00 22.979 -50.950 -27.971 3.80 0.357 0.667 0.276 0.049 208.476 300.000 6.584 1 + 910000 9100.00 22.963 -50.933 -27.970 3.48 0.500 0.611 0.354 0.060 208.329 300.000 6.378 1 + 920000 9200.00 27.580 -55.553 -27.972 2.96 0.500 0.588 0.390 0.069 250.224 300.000 6.644 1 + 930000 9300.00 27.086 -55.059 -27.972 3.05 0.429 0.600 0.348 0.087 245.741 300.000 6.676 1 + 940000 9400.00 24.647 -52.619 -27.973 3.20 0.429 0.647 0.313 0.092 223.606 300.000 6.593 1 + 950000 9500.00 23.963 -51.935 -27.972 3.40 0.500 0.562 0.358 0.049 217.406 300.000 6.594 1 + 960000 9600.00 35.339 -63.313 -27.974 3.94 0.643 0.550 0.377 0.064 320.613 300.000 6.554 1 + 970000 9700.00 24.542 -52.515 -27.973 3.79 0.571 0.556 0.384 0.040 222.659 300.000 6.438 1 + 980000 9800.00 31.987 -59.961 -27.974 3.34 0.500 0.588 0.337 0.050 290.204 300.000 6.475 1 + 990000 9900.00 26.984 -54.957 -27.973 3.06 0.643 0.526 0.337 0.046 244.816 300.000 6.670 1 + 1000000 10000.00 31.419 -59.392 -27.973 3.68 0.500 0.533 0.373 0.034 285.048 300.000 6.461 1 diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB002.stat b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB002.stat index 4ddd7b8..f1ce4df 100644 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB002.stat +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB002.stat @@ -1,101 +1,101 @@ - 0 0.00 33.787 -51.451 -17.664 2.26 0.786 0.476 0.357 0.199 306.532 300.000 6.690 2 - 10000 100.00 28.424 -46.084 -17.661 1.97 0.571 0.429 0.312 0.061 257.873 300.000 7.035 2 - 20000 200.00 34.106 -51.768 -17.663 2.54 0.643 0.571 0.348 0.058 309.423 300.000 6.388 2 - 30000 300.00 29.711 -47.372 -17.661 3.01 0.357 0.722 0.316 0.060 269.556 300.000 6.557 2 - 40000 400.00 29.524 -47.185 -17.661 2.43 0.643 0.591 0.337 0.063 267.858 300.000 6.370 2 - 50000 500.00 21.986 -39.645 -17.659 2.35 0.571 0.500 0.239 0.083 199.471 300.000 6.725 2 - 60000 600.00 31.134 -48.796 -17.662 1.68 0.643 0.400 0.336 0.082 282.466 300.000 6.862 2 - 70000 700.00 30.177 -47.840 -17.663 2.37 0.429 0.600 0.200 0.060 273.784 300.000 6.858 2 - 80000 800.00 27.771 -45.432 -17.661 2.12 0.500 0.500 0.269 0.064 251.953 300.000 6.581 2 - 90000 900.00 26.691 -44.351 -17.660 2.50 0.357 0.545 0.264 0.065 242.153 300.000 6.858 2 - 100000 1000.00 33.121 -50.782 -17.661 3.18 0.500 0.533 0.303 0.060 300.489 300.000 6.848 2 - 110000 1100.00 27.120 -44.782 -17.662 2.64 0.429 0.571 0.279 0.050 246.047 300.000 6.798 2 - 120000 1200.00 30.696 -48.357 -17.661 3.10 0.357 0.545 0.318 0.060 278.489 300.000 6.724 2 - 130000 1300.00 27.308 -44.970 -17.662 3.44 0.500 0.500 0.334 0.060 247.754 300.000 6.529 2 - 140000 1400.00 23.667 -41.328 -17.661 2.28 0.357 0.444 0.278 0.033 214.720 300.000 6.992 2 - 150000 1500.00 27.245 -44.907 -17.662 2.83 0.286 0.556 0.202 0.054 247.184 300.000 6.973 2 - 160000 1600.00 24.904 -42.566 -17.662 2.14 0.429 0.500 0.318 0.051 225.939 300.000 6.999 2 - 170000 1700.00 27.512 -45.172 -17.661 2.47 0.357 0.583 0.299 0.039 249.601 300.000 6.976 2 - 180000 1800.00 29.899 -47.558 -17.659 3.33 0.500 0.562 0.290 0.043 271.257 300.000 6.859 2 - 190000 1900.00 22.777 -40.437 -17.660 2.64 0.643 0.400 0.306 0.092 206.641 300.000 6.895 2 - 200000 2000.00 28.976 -46.636 -17.659 2.87 0.357 0.583 0.258 0.092 262.888 300.000 6.732 2 - 210000 2100.00 25.383 -43.042 -17.659 3.16 0.500 0.500 0.218 0.066 230.292 300.000 7.464 2 - 220000 2200.00 28.478 -46.137 -17.659 2.57 0.357 0.583 0.242 0.066 258.367 300.000 7.012 2 - 230000 2300.00 25.518 -43.175 -17.658 3.39 0.357 0.545 0.285 0.066 231.510 300.000 6.596 2 - 240000 2400.00 25.069 -42.727 -17.658 2.40 0.429 0.538 0.283 0.031 227.440 300.000 7.087 2 - 250000 2500.00 24.058 -41.716 -17.658 2.80 0.357 0.583 0.258 0.083 218.268 300.000 6.924 2 - 260000 2600.00 24.263 -41.923 -17.660 3.26 0.429 0.647 0.334 0.094 220.128 300.000 6.508 2 - 270000 2700.00 31.303 -48.961 -17.658 2.97 0.429 0.600 0.361 0.066 283.995 300.000 6.537 2 - 280000 2800.00 27.994 -45.653 -17.659 3.74 0.357 0.737 0.411 0.056 253.979 300.000 6.179 2 - 290000 2900.00 27.257 -44.916 -17.658 2.62 0.500 0.533 0.309 0.079 247.294 300.000 6.756 2 - 300000 3000.00 36.759 -54.418 -17.659 3.41 0.357 0.706 0.366 0.040 333.498 300.000 6.291 2 - 310000 3100.00 31.871 -49.530 -17.659 3.54 0.500 0.611 0.341 0.081 289.151 300.000 6.244 2 - 320000 3200.00 32.784 -50.444 -17.660 3.59 0.357 0.545 0.380 0.095 297.436 300.000 6.419 2 - 330000 3300.00 35.243 -52.902 -17.659 3.62 0.500 0.650 0.382 0.078 319.745 300.000 6.365 2 - 340000 3400.00 32.762 -50.421 -17.659 3.40 0.286 0.692 0.315 0.047 297.234 300.000 6.755 2 - 350000 3500.00 31.044 -48.701 -17.657 3.44 0.286 0.692 0.395 0.058 281.651 300.000 7.073 2 - 360000 3600.00 36.689 -54.349 -17.659 3.32 0.214 0.769 0.343 0.039 332.863 300.000 6.929 2 - 370000 3700.00 26.348 -44.006 -17.658 3.66 0.286 0.692 0.346 0.056 239.042 300.000 6.778 2 - 380000 3800.00 27.531 -45.190 -17.659 3.23 0.429 0.647 0.342 0.058 249.774 300.000 6.553 2 - 390000 3900.00 29.988 -47.646 -17.659 3.39 0.214 0.812 0.330 0.119 272.063 300.000 6.671 2 - 400000 4000.00 25.385 -43.043 -17.659 3.50 0.214 0.769 0.283 0.086 230.303 300.000 6.992 2 - 410000 4100.00 28.207 -45.866 -17.660 3.06 0.357 0.750 0.366 0.060 255.906 300.000 6.572 2 - 420000 4200.00 26.946 -44.604 -17.658 3.03 0.286 0.714 0.334 0.027 244.464 300.000 6.873 2 - 430000 4300.00 30.961 -48.620 -17.659 2.67 0.429 0.600 0.321 0.056 280.895 300.000 6.742 2 - 440000 4400.00 29.628 -47.287 -17.659 3.35 0.286 0.692 0.290 0.062 268.801 300.000 6.767 2 - 450000 4500.00 33.424 -51.084 -17.660 2.96 0.357 0.762 0.351 0.082 303.242 300.000 6.485 2 - 460000 4600.00 25.866 -43.524 -17.659 3.26 0.214 0.769 0.283 0.047 234.666 300.000 6.598 2 - 470000 4700.00 29.660 -47.320 -17.660 3.61 0.286 0.714 0.305 0.072 269.091 300.000 6.928 2 - 480000 4800.00 27.902 -45.561 -17.659 3.13 0.143 0.833 0.394 0.040 253.143 300.000 6.794 2 - 490000 4900.00 20.126 -37.784 -17.658 3.97 0.286 0.692 0.339 0.031 182.598 300.000 6.594 2 - 500000 5000.00 26.723 -44.384 -17.661 3.39 0.286 0.750 0.287 0.077 242.444 300.000 6.961 2 - 510000 5100.00 29.547 -47.207 -17.660 3.47 0.429 0.600 0.309 0.039 268.066 300.000 6.680 2 - 520000 5200.00 27.813 -45.472 -17.659 3.46 0.143 0.867 0.297 0.068 252.332 300.000 6.976 2 - 530000 5300.00 26.860 -44.519 -17.659 3.25 0.286 0.750 0.312 0.108 243.691 300.000 7.077 2 - 540000 5400.00 29.383 -47.043 -17.660 3.63 0.143 0.833 0.330 0.130 266.574 300.000 6.775 2 - 550000 5500.00 28.210 -45.870 -17.660 3.42 0.357 0.737 0.347 0.074 255.936 300.000 6.546 2 - 560000 5600.00 27.630 -45.290 -17.659 3.47 0.214 0.700 0.300 0.072 250.677 300.000 6.652 2 - 570000 5700.00 20.412 -38.068 -17.655 3.34 0.214 0.812 0.347 0.054 185.190 300.000 6.657 2 - 580000 5800.00 30.981 -48.642 -17.661 3.54 0.286 0.789 0.294 0.064 281.080 300.000 6.439 2 - 590000 5900.00 29.198 -46.858 -17.661 3.16 0.214 0.800 0.318 0.046 264.895 300.000 6.681 2 - 600000 6000.00 29.085 -46.746 -17.660 3.30 0.357 0.706 0.369 0.072 263.876 300.000 6.629 2 - 610000 6100.00 29.088 -46.746 -17.659 3.37 0.286 0.714 0.305 0.050 263.899 300.000 6.673 2 - 620000 6200.00 22.333 -39.993 -17.660 3.60 0.214 0.786 0.315 0.049 202.621 300.000 6.563 2 - 630000 6300.00 29.083 -46.744 -17.662 3.09 0.143 0.833 0.288 0.068 263.852 300.000 6.888 2 - 640000 6400.00 28.343 -46.003 -17.660 3.39 0.286 0.765 0.332 0.057 257.139 300.000 6.622 2 - 650000 6500.00 31.396 -49.057 -17.662 2.98 0.286 0.692 0.343 0.069 284.837 300.000 6.896 2 - 660000 6600.00 31.938 -49.600 -17.662 3.63 0.286 0.692 0.318 0.079 289.760 300.000 6.832 2 - 670000 6700.00 32.542 -50.203 -17.661 3.06 0.357 0.688 0.352 0.044 295.235 300.000 6.864 2 - 680000 6800.00 29.266 -46.927 -17.662 3.32 0.214 0.750 0.394 0.062 265.515 300.000 6.888 2 - 690000 6900.00 27.009 -44.669 -17.660 3.23 0.286 0.733 0.355 0.069 245.039 300.000 6.698 2 - 700000 7000.00 28.469 -46.129 -17.659 3.12 0.286 0.667 0.337 0.087 258.289 300.000 6.842 2 - 710000 7100.00 26.409 -44.066 -17.657 3.39 0.286 0.667 0.348 0.068 239.598 300.000 6.979 2 - 720000 7200.00 27.559 -45.216 -17.657 3.85 0.429 0.538 0.402 0.039 250.033 300.000 6.456 2 - 730000 7300.00 27.117 -44.774 -17.657 4.45 0.429 0.647 0.409 0.049 246.020 300.000 6.616 2 - 740000 7400.00 30.854 -48.516 -17.662 3.62 0.357 0.722 0.381 0.176 279.919 300.000 6.899 2 - 750000 7500.00 33.309 -50.969 -17.660 4.17 0.286 0.692 0.315 0.060 302.196 300.000 6.808 2 - 760000 7600.00 29.480 -47.140 -17.659 4.74 0.286 0.733 0.367 0.042 267.461 300.000 6.912 2 - 770000 7700.00 28.139 -45.797 -17.658 4.85 0.214 0.700 0.286 0.063 255.290 300.000 7.061 2 - 780000 7800.00 27.556 -45.214 -17.658 4.69 0.357 0.643 0.312 0.035 250.000 300.000 6.861 2 - 790000 7900.00 24.075 -41.733 -17.657 4.56 0.286 0.692 0.290 0.034 218.423 300.000 7.028 2 - 800000 8000.00 32.627 -50.286 -17.659 3.97 0.286 0.636 0.318 0.096 296.012 300.000 7.033 2 - 810000 8100.00 32.016 -49.675 -17.659 3.45 0.357 0.643 0.234 0.087 290.464 300.000 7.145 2 - 820000 8200.00 29.273 -46.931 -17.658 4.62 0.357 0.688 0.287 0.048 265.576 300.000 6.833 2 - 830000 8300.00 27.305 -44.963 -17.658 4.26 0.214 0.727 0.260 0.064 247.728 300.000 6.947 2 - 840000 8400.00 28.092 -45.749 -17.657 4.81 0.214 0.812 0.307 0.053 254.866 300.000 6.766 2 - 850000 8500.00 31.575 -49.234 -17.659 4.45 0.286 0.667 0.273 0.059 286.468 300.000 7.002 2 - 860000 8600.00 28.469 -46.128 -17.659 3.46 0.286 0.556 0.253 0.057 258.290 300.000 7.176 2 - 870000 8700.00 30.220 -47.880 -17.660 2.99 0.357 0.545 0.190 0.139 274.172 300.000 7.515 2 - 880000 8800.00 29.883 -47.542 -17.659 3.28 0.357 0.583 0.220 0.119 271.116 300.000 6.767 2 - 890000 8900.00 31.891 -49.550 -17.659 2.99 0.429 0.647 0.302 0.047 289.332 300.000 6.623 2 - 900000 9000.00 26.485 -44.143 -17.659 3.09 0.500 0.533 0.221 0.046 240.282 300.000 6.758 2 - 910000 9100.00 27.896 -45.555 -17.659 2.68 0.429 0.500 0.250 0.089 253.088 300.000 6.987 2 - 920000 9200.00 30.978 -48.637 -17.658 2.46 0.429 0.455 0.289 0.036 281.051 300.000 6.844 2 - 930000 9300.00 25.784 -43.440 -17.656 2.79 0.429 0.538 0.255 0.061 233.930 300.000 6.821 2 - 940000 9400.00 26.967 -44.626 -17.659 3.03 0.429 0.571 0.334 0.065 244.656 300.000 6.949 2 - 950000 9500.00 24.507 -42.164 -17.657 4.26 0.286 0.667 0.265 0.041 222.342 300.000 7.061 2 - 960000 9600.00 29.733 -47.394 -17.661 3.68 0.429 0.647 0.286 0.092 269.754 300.000 6.621 2 - 970000 9700.00 29.884 -47.542 -17.658 3.33 0.429 0.571 0.308 0.050 271.120 300.000 6.901 2 - 980000 9800.00 31.222 -48.882 -17.660 3.02 0.357 0.615 0.276 0.063 283.260 300.000 6.849 2 - 990000 9900.00 29.574 -47.235 -17.661 2.78 0.429 0.500 0.235 0.055 268.312 300.000 7.301 2 - 1000000 10000.00 26.552 -44.214 -17.662 3.79 0.286 0.667 0.307 0.103 240.892 300.000 6.950 2 + 0 0.00 33.787 -58.452 -24.665 2.26 0.786 0.476 0.357 0.204 306.532 300.000 6.690 2 + 10000 100.00 33.377 -58.039 -24.662 1.75 0.571 0.467 0.324 0.035 302.815 300.000 6.957 2 + 20000 200.00 28.531 -53.193 -24.662 1.98 0.571 0.529 0.305 0.053 258.848 300.000 6.559 2 + 30000 300.00 27.908 -52.571 -24.663 2.36 0.643 0.500 0.290 0.070 253.198 300.000 6.397 2 + 40000 400.00 24.563 -49.224 -24.661 1.91 0.643 0.500 0.250 0.044 222.845 300.000 6.582 2 + 50000 500.00 27.286 -51.948 -24.662 2.41 0.643 0.526 0.354 0.041 247.555 300.000 6.264 2 + 60000 600.00 32.023 -56.685 -24.662 2.13 0.571 0.529 0.316 0.036 290.527 300.000 6.651 2 + 70000 700.00 26.299 -50.962 -24.663 2.82 0.357 0.615 0.217 0.077 238.599 300.000 6.890 2 + 80000 800.00 25.757 -50.419 -24.662 2.54 0.429 0.571 0.211 0.052 233.685 300.000 7.087 2 + 90000 900.00 32.041 -56.703 -24.662 2.74 0.429 0.571 0.292 0.045 290.693 300.000 6.669 2 + 100000 1000.00 25.269 -49.930 -24.661 2.04 0.429 0.571 0.351 0.066 229.250 300.000 6.580 2 + 110000 1100.00 27.181 -51.843 -24.661 1.73 0.500 0.588 0.265 0.032 246.602 300.000 6.836 2 + 120000 1200.00 24.570 -49.232 -24.661 2.59 0.714 0.500 0.327 0.039 222.915 300.000 6.305 2 + 130000 1300.00 22.888 -47.550 -24.662 2.12 0.643 0.571 0.288 0.089 207.647 300.000 6.437 2 + 140000 1400.00 27.730 -52.394 -24.663 2.07 0.500 0.562 0.298 0.043 251.585 300.000 6.609 2 + 150000 1500.00 24.710 -49.374 -24.664 2.34 0.357 0.615 0.224 0.091 224.183 300.000 7.163 2 + 160000 1600.00 28.969 -53.631 -24.662 2.82 0.357 0.667 0.312 0.040 262.820 300.000 6.652 2 + 170000 1700.00 25.322 -49.985 -24.663 2.90 0.357 0.667 0.318 0.054 229.731 300.000 6.782 2 + 180000 1800.00 28.521 -53.185 -24.664 2.87 0.500 0.588 0.275 0.093 258.759 300.000 6.614 2 + 190000 1900.00 32.895 -57.558 -24.663 2.44 0.500 0.632 0.268 0.069 298.437 300.000 6.697 2 + 200000 2000.00 28.276 -52.938 -24.662 3.09 0.429 0.647 0.324 0.067 256.531 300.000 6.696 2 + 210000 2100.00 27.508 -52.170 -24.663 3.37 0.357 0.706 0.324 0.063 249.563 300.000 6.741 2 + 220000 2200.00 30.323 -54.986 -24.663 2.62 0.571 0.579 0.282 0.079 275.104 300.000 6.776 2 + 230000 2300.00 27.604 -52.266 -24.662 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7.006 2 + 880000 8800.00 27.530 -52.194 -24.664 2.60 0.571 0.579 0.333 0.062 249.769 300.000 6.629 2 + 890000 8900.00 27.126 -51.790 -24.664 2.30 0.429 0.625 0.250 0.064 246.102 300.000 6.687 2 + 900000 9000.00 32.736 -57.402 -24.666 3.01 0.429 0.625 0.273 0.129 297.001 300.000 6.938 2 + 910000 9100.00 29.245 -53.909 -24.664 2.99 0.429 0.667 0.250 0.083 265.327 300.000 6.787 2 + 920000 9200.00 28.462 -53.126 -24.664 2.76 0.643 0.526 0.301 0.059 258.221 300.000 6.730 2 + 930000 9300.00 24.253 -48.917 -24.664 2.95 0.357 0.643 0.253 0.059 220.032 300.000 6.779 2 + 940000 9400.00 27.559 -52.224 -24.664 3.03 0.571 0.619 0.318 0.080 250.031 300.000 6.524 2 + 950000 9500.00 32.939 -57.603 -24.664 2.90 0.571 0.556 0.313 0.054 298.840 300.000 6.533 2 + 960000 9600.00 27.173 -51.838 -24.664 2.66 0.500 0.588 0.302 0.069 246.531 300.000 6.654 2 + 970000 9700.00 27.519 -52.183 -24.663 2.83 0.571 0.500 0.247 0.047 249.668 300.000 6.549 2 + 980000 9800.00 31.035 -55.699 -24.664 2.73 0.357 0.583 0.265 0.043 281.565 300.000 6.714 2 + 990000 9900.00 27.221 -51.884 -24.663 3.18 0.429 0.684 0.294 0.038 246.963 300.000 6.791 2 + 1000000 10000.00 33.922 -58.586 -24.664 3.29 0.429 0.647 0.249 0.056 307.760 300.000 6.896 2 diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB003.stat b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB003.stat index fcc5d83..f852840 100644 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB003.stat +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB003.stat @@ -1,101 +1,101 @@ - 0 0.00 30.034 -51.451 -21.417 2.26 0.786 0.476 0.357 0.199 272.485 300.000 6.690 3 - 10000 100.00 22.233 -43.648 -21.415 2.19 0.643 0.438 0.312 0.089 201.708 300.000 6.363 3 - 20000 200.00 29.115 -50.529 -21.414 1.71 0.500 0.462 0.357 0.038 264.151 300.000 6.880 3 - 30000 300.00 22.500 -43.915 -21.415 2.26 0.571 0.467 0.397 0.053 204.130 300.000 6.913 3 - 40000 400.00 23.932 -45.347 -21.415 1.74 0.429 0.625 0.295 0.078 217.124 300.000 6.677 3 - 50000 500.00 25.227 -46.642 -21.415 2.29 0.571 0.385 0.259 0.064 228.869 300.000 7.005 3 - 60000 600.00 24.709 -46.124 -21.415 2.17 0.571 0.500 0.284 0.072 224.175 300.000 7.276 3 - 70000 700.00 24.721 -46.136 -21.415 1.49 0.571 0.467 0.303 0.060 224.286 300.000 7.382 3 - 80000 800.00 22.677 -44.092 -21.416 1.86 0.571 0.273 0.360 0.046 205.735 300.000 7.346 3 - 90000 900.00 22.872 -44.287 -21.415 2.00 0.500 0.417 0.371 0.044 207.507 300.000 7.374 3 - 100000 1000.00 24.720 -46.135 -21.415 2.24 0.714 0.333 0.345 0.031 224.274 300.000 7.026 3 - 110000 1100.00 24.122 -45.538 -21.417 2.05 0.429 0.400 0.286 0.081 218.845 300.000 7.636 3 - 120000 1200.00 23.233 -44.648 -21.416 2.08 0.500 0.562 0.273 0.094 210.778 300.000 7.215 3 - 130000 1300.00 22.793 -44.208 -21.415 2.75 0.429 0.455 0.360 0.054 206.788 300.000 7.417 3 - 140000 1400.00 19.782 -41.196 -21.414 2.51 0.357 0.500 0.323 0.064 179.471 300.000 7.333 3 - 150000 1500.00 24.267 -45.681 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2600.00 27.650 -49.066 -21.416 3.61 0.571 0.333 0.261 0.059 250.856 300.000 7.367 3 - 270000 2700.00 28.412 -49.830 -21.418 2.61 0.571 0.529 0.364 0.067 257.771 300.000 6.836 3 - 280000 2800.00 21.799 -43.215 -21.416 2.45 0.571 0.429 0.438 0.070 197.771 300.000 7.254 3 - 290000 2900.00 26.170 -47.588 -21.417 2.95 0.429 0.500 0.322 0.105 237.430 300.000 7.182 3 - 300000 3000.00 21.920 -43.336 -21.416 2.52 0.286 0.556 0.338 0.093 198.865 300.000 7.088 3 - 310000 3100.00 25.850 -47.267 -21.417 2.91 0.500 0.533 0.364 0.065 234.523 300.000 7.040 3 - 320000 3200.00 30.394 -51.810 -21.417 3.29 0.500 0.500 0.292 0.105 275.747 300.000 7.284 3 - 330000 3300.00 27.810 -49.228 -21.418 2.00 0.357 0.375 0.267 0.064 252.311 300.000 7.572 3 - 340000 3400.00 20.959 -42.374 -21.415 2.49 0.286 0.600 0.441 0.075 190.153 300.000 7.318 3 - 350000 3500.00 18.906 -40.321 -21.416 2.80 0.357 0.583 0.242 0.033 171.523 300.000 7.459 3 - 360000 3600.00 25.048 -46.465 -21.416 2.76 0.500 0.562 0.264 0.075 227.250 300.000 6.898 3 - 370000 3700.00 26.690 -48.108 -21.417 2.53 0.286 0.692 0.255 0.071 242.150 300.000 6.882 3 - 380000 3800.00 28.553 -49.968 -21.416 2.01 0.500 0.632 0.311 0.068 259.044 300.000 6.652 3 - 390000 3900.00 29.394 -50.810 -21.416 3.00 0.357 0.643 0.279 0.049 266.678 300.000 6.687 3 - 400000 4000.00 28.526 -49.942 -21.415 3.14 0.429 0.571 0.269 0.057 258.805 300.000 6.725 3 - 410000 4100.00 28.762 -50.180 -21.418 2.62 0.286 0.714 0.341 0.024 260.943 300.000 6.860 3 - 420000 4200.00 30.678 -52.097 -21.418 2.66 0.214 0.667 0.343 0.099 278.328 300.000 6.942 3 - 430000 4300.00 27.965 -49.382 -21.417 2.97 0.429 0.600 0.233 0.084 253.713 300.000 6.709 3 - 440000 4400.00 30.500 -51.918 -21.418 3.24 0.357 0.615 0.266 0.101 276.711 300.000 6.795 3 - 450000 4500.00 22.468 -43.882 -21.414 2.54 0.429 0.538 0.280 0.081 203.841 300.000 6.639 3 - 460000 4600.00 26.246 -47.662 -21.416 2.71 0.500 0.364 0.269 0.098 238.117 300.000 6.784 3 - 470000 4700.00 27.574 -48.989 -21.415 2.48 0.571 0.529 0.286 0.047 250.161 300.000 6.606 3 - 480000 4800.00 26.825 -48.241 -21.416 2.78 0.429 0.538 0.262 0.067 243.366 300.000 6.860 3 - 490000 4900.00 24.201 -45.616 -21.415 2.75 0.429 0.625 0.332 0.078 219.564 300.000 6.651 3 - 500000 5000.00 29.787 -51.203 -21.416 2.72 0.286 0.733 0.318 0.047 270.241 300.000 6.799 3 - 510000 5100.00 26.328 -47.745 -21.417 3.30 0.357 0.615 0.315 0.074 238.863 300.000 6.780 3 - 520000 5200.00 30.501 -51.919 -21.418 2.86 0.500 0.650 0.298 0.065 276.724 300.000 6.656 3 - 530000 5300.00 26.590 -48.007 -21.417 2.69 0.357 0.615 0.220 0.060 241.236 300.000 6.882 3 - 540000 5400.00 29.928 -51.346 -21.417 2.99 0.429 0.571 0.211 0.052 271.524 300.000 6.677 3 - 550000 5500.00 30.740 -52.157 -21.417 3.05 0.429 0.625 0.276 0.053 278.892 300.000 6.759 3 - 560000 5600.00 24.914 -46.331 -21.417 3.22 0.429 0.571 0.205 0.049 226.031 300.000 6.710 3 - 570000 5700.00 26.889 -48.305 -21.416 2.28 0.500 0.500 0.253 0.049 243.954 300.000 6.421 3 - 580000 5800.00 30.606 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242.820 300.000 6.876 3 - 800000 8000.00 25.218 -46.635 -21.417 3.89 0.357 0.688 0.304 0.049 228.787 300.000 6.876 3 - 810000 8100.00 25.510 -46.928 -21.418 3.55 0.429 0.538 0.332 0.059 231.442 300.000 6.680 3 - 820000 8200.00 26.091 -47.510 -21.419 3.27 0.500 0.562 0.281 0.067 236.712 300.000 6.671 3 - 830000 8300.00 24.129 -45.544 -21.415 3.25 0.357 0.615 0.304 0.053 218.912 300.000 6.723 3 - 840000 8400.00 22.960 -44.375 -21.415 2.91 0.500 0.562 0.224 0.059 208.302 300.000 6.787 3 - 850000 8500.00 29.120 -50.536 -21.416 2.58 0.643 0.471 0.259 0.043 264.193 300.000 6.729 3 - 860000 8600.00 22.968 -44.383 -21.415 4.06 0.357 0.643 0.302 0.049 208.376 300.000 6.766 3 - 870000 8700.00 27.115 -48.532 -21.416 3.46 0.429 0.538 0.262 0.067 246.005 300.000 6.910 3 - 880000 8800.00 22.674 -44.088 -21.414 3.42 0.500 0.611 0.333 0.052 205.710 300.000 6.537 3 - 890000 8900.00 23.596 -45.011 -21.415 4.28 0.286 0.692 0.301 0.040 214.071 300.000 6.949 3 - 900000 9000.00 24.082 -45.496 -21.414 3.88 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6.541 6 - 760000 7600.00 31.315 -48.053 -16.737 3.88 0.429 0.700 0.434 0.072 284.109 300.000 6.172 6 - 770000 7700.00 35.839 -52.578 -16.738 4.24 0.357 0.750 0.439 0.069 325.152 300.000 6.025 6 - 780000 7800.00 29.565 -46.304 -16.739 4.37 0.571 0.704 0.387 0.072 268.229 300.000 6.211 6 - 790000 7900.00 31.682 -48.420 -16.738 4.59 0.286 0.789 0.471 0.044 287.434 300.000 6.249 6 - 800000 8000.00 25.969 -42.707 -16.739 2.82 0.357 0.688 0.287 0.042 235.603 300.000 6.559 6 - 810000 8100.00 26.604 -43.342 -16.738 2.70 0.429 0.571 0.351 0.072 241.368 300.000 6.687 6 - 820000 8200.00 30.488 -47.225 -16.737 3.94 0.357 0.737 0.447 0.085 276.607 300.000 6.314 6 - 830000 8300.00 24.785 -41.523 -16.737 4.15 0.286 0.733 0.482 0.032 224.866 300.000 6.409 6 - 840000 8400.00 27.641 -44.380 -16.738 3.54 0.429 0.571 0.396 0.044 250.774 300.000 6.520 6 - 850000 8500.00 28.273 -45.011 -16.737 3.29 0.500 0.533 0.391 0.078 256.512 300.000 6.660 6 - 860000 8600.00 33.358 -50.096 -16.738 4.18 0.429 0.625 0.409 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a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB007.stat +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_GB007.stat @@ -1,101 +1,101 @@ - 0 0.00 38.789 -51.451 -12.661 2.26 0.786 0.476 0.357 0.199 351.916 300.000 6.690 7 - 10000 100.00 31.064 -43.723 -12.659 1.63 0.500 0.562 0.310 0.096 281.824 300.000 6.683 7 - 20000 200.00 33.617 -46.276 -12.660 2.51 0.500 0.364 0.339 0.073 304.987 300.000 6.894 7 - 30000 300.00 30.730 -43.388 -12.658 2.64 0.357 0.583 0.246 0.125 278.798 300.000 6.986 7 - 40000 400.00 28.416 -41.074 -12.659 2.97 0.286 0.714 0.318 0.037 257.802 300.000 6.400 7 - 50000 500.00 24.498 -37.154 -12.657 2.44 0.357 0.583 0.341 0.061 222.256 300.000 6.703 7 - 60000 600.00 28.358 -41.016 -12.658 1.75 0.429 0.500 0.311 0.053 257.278 300.000 6.634 7 - 70000 700.00 30.757 -43.413 -12.656 2.46 0.357 0.667 0.358 0.038 279.046 300.000 6.502 7 - 80000 800.00 31.061 -43.719 -12.658 2.24 0.500 0.611 0.333 0.102 281.804 300.000 6.466 7 - 90000 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520000 5200.00 29.926 -42.583 -12.657 2.55 0.643 0.526 0.342 0.103 271.500 300.000 6.170 7 - 530000 5300.00 27.403 -40.061 -12.658 2.13 0.429 0.400 0.282 0.081 248.611 300.000 6.902 7 - 540000 5400.00 33.860 -46.516 -12.656 1.57 0.500 0.500 0.282 0.052 307.194 300.000 7.127 7 - 550000 5500.00 29.596 -42.254 -12.658 1.93 0.429 0.400 0.232 0.073 268.506 300.000 7.054 7 - 560000 5600.00 32.762 -45.418 -12.657 3.19 0.500 0.562 0.295 0.037 297.231 300.000 6.989 7 - 570000 5700.00 29.996 -42.653 -12.657 2.79 0.357 0.643 0.218 0.082 272.139 300.000 7.189 7 - 580000 5800.00 36.325 -48.981 -12.656 3.31 0.429 0.500 0.345 0.050 329.559 300.000 7.087 7 - 590000 5900.00 35.305 -47.962 -12.657 2.92 0.429 0.400 0.245 0.087 320.301 300.000 7.144 7 - 600000 6000.00 32.111 -44.768 -12.657 3.30 0.500 0.462 0.259 0.101 291.329 300.000 6.788 7 - 610000 6100.00 29.217 -41.873 -12.657 2.78 0.357 0.583 0.254 0.050 265.067 300.000 7.038 7 - 620000 6200.00 30.222 -42.878 -12.656 2.50 0.429 0.500 0.314 0.046 274.189 300.000 7.033 7 - 630000 6300.00 34.210 -46.867 -12.657 3.11 0.429 0.600 0.406 0.085 310.369 300.000 6.610 7 - 640000 6400.00 30.096 -42.752 -12.655 3.15 0.357 0.643 0.315 0.056 273.050 300.000 7.002 7 - 650000 6500.00 30.990 -43.646 -12.656 4.20 0.357 0.722 0.467 0.077 281.157 300.000 6.445 7 - 660000 6600.00 31.002 -43.660 -12.657 3.74 0.429 0.455 0.351 0.079 281.271 300.000 6.830 7 - 670000 6700.00 27.181 -39.838 -12.657 3.35 0.214 0.667 0.258 0.030 246.601 300.000 7.066 7 - 680000 6800.00 25.453 -38.108 -12.656 3.13 0.357 0.615 0.350 0.079 230.919 300.000 6.633 7 - 690000 6900.00 28.834 -41.492 -12.658 3.65 0.286 0.600 0.336 0.096 261.600 300.000 6.874 7 - 700000 7000.00 26.765 -39.421 -12.656 3.82 0.429 0.600 0.430 0.091 242.827 300.000 6.498 7 - 710000 7100.00 29.451 -42.107 -12.656 3.72 0.500 0.533 0.324 0.096 267.193 300.000 6.490 7 - 720000 7200.00 23.799 -36.454 -12.656 3.35 0.286 0.556 0.449 0.065 215.915 300.000 7.256 7 - 730000 7300.00 31.013 -43.669 -12.656 3.69 0.357 0.615 0.343 0.069 281.368 300.000 6.615 7 - 740000 7400.00 25.325 -37.980 -12.654 3.14 0.286 0.750 0.324 0.052 229.765 300.000 6.939 7 - 750000 7500.00 28.094 -40.752 -12.658 3.60 0.214 0.667 0.449 0.043 254.887 300.000 6.526 7 - 760000 7600.00 27.826 -40.485 -12.659 3.84 0.286 0.714 0.295 0.081 252.452 300.000 6.710 7 - 770000 7700.00 33.466 -46.125 -12.659 2.85 0.286 0.636 0.298 0.045 303.624 300.000 6.967 7 - 780000 7800.00 24.214 -36.874 -12.660 2.78 0.357 0.375 0.352 0.077 219.678 300.000 7.083 7 - 790000 7900.00 25.980 -38.640 -12.660 3.26 0.429 0.571 0.312 0.049 235.704 300.000 6.610 7 - 800000 8000.00 26.215 -38.874 -12.659 2.76 0.286 0.636 0.293 0.070 237.834 300.000 6.917 7 - 810000 8100.00 36.494 -49.154 -12.660 3.72 0.429 0.684 0.344 0.061 331.090 300.000 6.312 7 - 820000 8200.00 33.680 -46.341 -12.661 3.20 0.357 0.615 0.339 0.056 305.565 300.000 6.960 7 - 830000 8300.00 27.845 -40.504 -12.659 3.20 0.357 0.545 0.318 0.062 252.624 300.000 6.676 7 - 840000 8400.00 30.582 -43.241 -12.659 3.69 0.357 0.643 0.360 0.039 277.455 300.000 6.473 7 - 850000 8500.00 33.760 -46.421 -12.661 3.43 0.286 0.750 0.375 0.056 306.288 300.000 6.356 7 - 860000 8600.00 27.064 -39.725 -12.661 3.67 0.357 0.643 0.334 0.050 245.538 300.000 6.513 7 - 870000 8700.00 34.933 -47.593 -12.660 3.37 0.286 0.765 0.356 0.143 316.930 300.000 6.556 7 - 880000 8800.00 33.991 -46.654 -12.662 3.19 0.500 0.533 0.297 0.057 308.388 300.000 6.910 7 - 890000 8900.00 34.338 -46.999 -12.661 3.10 0.286 0.750 0.384 0.072 311.530 300.000 6.527 7 - 900000 9000.00 36.521 -49.182 -12.661 3.58 0.357 0.545 0.388 0.094 331.335 300.000 6.437 7 - 910000 9100.00 28.938 -41.599 -12.661 4.46 0.143 0.714 0.416 0.074 262.542 300.000 6.700 7 - 920000 9200.00 29.277 -41.938 -12.660 3.97 0.214 0.700 0.277 0.049 265.619 300.000 7.018 7 - 930000 9300.00 29.117 -41.779 -12.662 3.26 0.214 0.786 0.367 0.082 264.164 300.000 6.859 7 - 940000 9400.00 34.561 -47.222 -12.661 3.82 0.214 0.700 0.305 0.078 313.556 300.000 6.892 7 - 950000 9500.00 28.702 -41.363 -12.661 3.24 0.143 0.333 0.242 0.067 260.402 300.000 7.787 7 - 960000 9600.00 28.176 -40.834 -12.658 3.46 0.286 0.600 0.400 0.031 255.627 300.000 7.284 7 - 970000 9700.00 29.196 -41.855 -12.659 3.45 0.214 0.750 0.322 0.078 264.881 300.000 7.481 7 - 980000 9800.00 34.791 -47.454 -12.663 3.57 0.214 0.769 0.266 0.070 315.642 300.000 7.027 7 - 990000 9900.00 34.547 -47.211 -12.664 3.56 0.286 0.692 0.311 0.062 313.424 300.000 6.538 7 - 1000000 10000.00 24.178 -36.838 -12.660 3.36 0.357 0.444 0.253 0.057 219.356 300.000 7.034 7 + 0 0.00 38.789 -58.452 -19.662 2.26 0.786 0.476 0.357 0.204 351.916 300.000 6.690 7 + 10000 100.00 32.651 -52.311 -19.660 1.57 0.643 0.471 0.326 0.047 296.226 300.000 6.822 7 + 20000 200.00 30.350 -50.009 -19.659 2.04 0.571 0.467 0.352 0.098 275.353 300.000 6.664 7 + 30000 300.00 35.180 -54.840 -19.660 1.79 0.643 0.471 0.340 0.089 319.168 300.000 6.772 7 + 40000 400.00 33.416 -53.076 -19.660 2.50 0.357 0.583 0.205 0.044 303.165 300.000 7.444 7 + 50000 500.00 33.629 -53.290 -19.661 2.43 0.571 0.429 0.357 0.048 305.099 300.000 6.889 7 + 60000 600.00 27.217 -46.876 -19.659 3.45 0.571 0.429 0.305 0.065 246.931 300.000 6.624 7 + 70000 700.00 28.937 -48.597 -19.659 3.07 0.357 0.615 0.371 0.096 262.536 300.000 6.518 7 + 80000 800.00 24.862 -44.521 -19.658 2.54 0.214 0.727 0.314 0.057 225.565 300.000 6.939 7 + 90000 900.00 27.803 -47.465 -19.661 2.39 0.286 0.636 0.215 0.095 252.246 300.000 6.942 7 + 100000 1000.00 28.635 -48.295 -19.660 2.64 0.429 0.538 0.189 0.055 259.788 300.000 7.173 7 + 110000 1100.00 34.111 -53.772 -19.660 2.63 0.357 0.737 0.321 0.075 309.475 300.000 6.224 7 + 120000 1200.00 24.747 -44.408 -19.661 3.46 0.357 0.583 0.303 0.055 224.519 300.000 6.654 7 + 130000 1300.00 31.202 -50.862 -19.660 3.41 0.357 0.643 0.302 0.073 283.078 300.000 6.798 7 + 140000 1400.00 30.069 -49.731 -19.662 3.42 0.357 0.688 0.332 0.067 272.801 300.000 6.692 7 + 150000 1500.00 27.372 -47.033 -19.661 3.77 0.214 0.800 0.327 0.104 248.334 300.000 6.631 7 + 160000 1600.00 30.654 -50.314 -19.660 3.07 0.286 0.733 0.400 0.080 278.108 300.000 6.401 7 + 170000 1700.00 27.321 -46.982 -19.661 3.15 0.214 0.727 0.393 0.082 247.869 300.000 6.803 7 + 180000 1800.00 33.489 -53.152 -19.662 2.98 0.357 0.545 0.335 0.067 303.834 300.000 6.889 7 + 190000 1900.00 25.208 -44.867 -19.658 2.99 0.429 0.647 0.356 0.069 228.703 300.000 6.868 7 + 200000 2000.00 28.086 -47.748 -19.662 3.44 0.357 0.583 0.333 0.124 254.812 300.000 6.781 7 + 210000 2100.00 23.387 -43.047 -19.660 2.65 0.500 0.533 0.261 0.055 212.175 300.000 6.786 7 + 220000 2200.00 30.076 -49.737 -19.660 3.48 0.357 0.706 0.377 0.079 272.869 300.000 6.447 7 + 230000 2300.00 23.106 -42.766 -19.660 3.58 0.429 0.600 0.309 0.061 209.627 300.000 6.588 7 + 240000 2400.00 27.645 -47.305 -19.660 3.31 0.286 0.714 0.221 0.027 250.812 300.000 6.808 7 + 250000 2500.00 34.464 -54.127 -19.663 3.39 0.286 0.750 0.338 0.069 312.676 300.000 6.760 7 + 260000 2600.00 23.588 -43.247 -19.658 2.92 0.214 0.786 0.380 0.047 214.006 300.000 6.702 7 + 270000 2700.00 29.275 -48.935 -19.660 3.43 0.286 0.765 0.286 0.109 265.599 300.000 6.220 7 + 280000 2800.00 30.703 -50.364 -19.661 4.34 0.214 0.833 0.343 0.072 278.557 300.000 6.538 7 + 290000 2900.00 28.501 -48.161 -19.660 3.62 0.214 0.786 0.331 0.066 258.578 300.000 6.632 7 + 300000 3000.00 28.827 -48.488 -19.661 4.18 0.143 0.875 0.344 0.139 261.533 300.000 6.598 7 + 310000 3100.00 31.032 -50.694 -19.662 3.61 0.143 0.818 0.347 0.054 281.542 300.000 6.747 7 + 320000 3200.00 30.888 -50.549 -19.661 3.46 0.500 0.562 0.327 0.083 280.228 300.000 6.717 7 + 330000 3300.00 33.076 -52.740 -19.664 3.90 0.286 0.667 0.330 0.146 300.085 300.000 6.818 7 + 340000 3400.00 29.172 -48.834 -19.661 4.62 0.357 0.615 0.343 0.096 264.667 300.000 6.774 7 + 350000 3500.00 30.792 -50.454 -19.661 3.99 0.357 0.643 0.341 0.060 279.362 300.000 6.943 7 + 360000 3600.00 29.278 -48.939 -19.661 4.49 0.286 0.733 0.373 0.062 265.625 300.000 6.817 7 + 370000 3700.00 31.590 -51.249 -19.659 4.46 0.286 0.692 0.353 0.053 286.599 300.000 6.729 7 + 380000 3800.00 23.365 -43.024 -19.659 3.82 0.500 0.462 0.402 0.067 211.983 300.000 6.738 7 + 390000 3900.00 27.606 -47.266 -19.660 4.44 0.286 0.750 0.312 0.080 250.454 300.000 6.733 7 + 400000 4000.00 30.773 -50.433 -19.660 4.15 0.286 0.750 0.330 0.083 279.185 300.000 6.708 7 + 410000 4100.00 30.975 -50.637 -19.661 4.03 0.286 0.714 0.308 0.045 281.024 300.000 6.750 7 + 420000 4200.00 29.654 -49.315 -19.661 3.87 0.357 0.667 0.279 0.084 269.039 300.000 6.994 7 + 430000 4300.00 29.964 -49.626 -19.662 3.97 0.214 0.750 0.390 0.102 271.849 300.000 6.630 7 + 440000 4400.00 30.682 -50.344 -19.662 3.99 0.357 0.643 0.396 0.105 278.367 300.000 7.115 7 + 450000 4500.00 31.858 -51.520 -19.662 4.12 0.286 0.692 0.339 0.109 289.035 300.000 6.755 7 + 460000 4600.00 29.616 -49.279 -19.663 4.54 0.214 0.812 0.420 0.096 268.691 300.000 6.669 7 + 470000 4700.00 33.105 -52.767 -19.663 4.06 0.286 0.714 0.341 0.061 300.344 300.000 6.613 7 + 480000 4800.00 26.172 -45.833 -19.660 3.96 0.214 0.786 0.399 0.065 237.447 300.000 6.472 7 + 490000 4900.00 28.322 -47.982 -19.661 4.50 0.286 0.667 0.428 0.070 256.949 300.000 6.797 7 + 500000 5000.00 32.880 -52.542 -19.661 4.13 0.357 0.583 0.352 0.082 298.308 300.000 6.926 7 + 510000 5100.00 25.692 -45.352 -19.660 3.47 0.357 0.667 0.355 0.056 233.092 300.000 6.904 7 + 520000 5200.00 32.779 -52.440 -19.661 3.45 0.500 0.611 0.364 0.067 297.391 300.000 6.518 7 + 530000 5300.00 29.283 -48.942 -19.659 3.66 0.357 0.688 0.429 0.031 265.669 300.000 6.412 7 + 540000 5400.00 31.538 -51.197 -19.660 4.09 0.286 0.714 0.370 0.054 286.125 300.000 6.346 7 + 550000 5500.00 30.639 -50.301 -19.662 3.27 0.214 0.769 0.381 0.061 277.974 300.000 6.309 7 + 560000 5600.00 28.886 -48.545 -19.659 3.63 0.286 0.750 0.361 0.093 262.066 300.000 6.120 7 + 570000 5700.00 31.872 -51.533 -19.661 3.76 0.357 0.737 0.364 0.082 289.161 300.000 6.052 7 + 580000 5800.00 29.424 -49.085 -19.661 3.99 0.286 0.765 0.366 0.040 266.954 300.000 6.419 7 + 590000 5900.00 27.944 -47.604 -19.660 3.94 0.214 0.786 0.360 0.119 253.522 300.000 6.690 7 + 600000 6000.00 31.100 -50.760 -19.660 3.46 0.429 0.684 0.421 0.054 282.152 300.000 6.661 7 + 610000 6100.00 35.245 -54.907 -19.662 3.14 0.357 0.615 0.332 0.084 319.760 300.000 6.654 7 + 620000 6200.00 27.745 -47.406 -19.662 3.43 0.357 0.667 0.361 0.031 251.713 300.000 6.635 7 + 630000 6300.00 33.438 -53.100 -19.662 3.22 0.214 0.750 0.409 0.086 303.366 300.000 6.599 7 + 640000 6400.00 27.505 -47.164 -19.660 3.87 0.286 0.750 0.347 0.058 249.538 300.000 6.248 7 + 650000 6500.00 33.058 -52.721 -19.663 3.52 0.357 0.643 0.334 0.162 299.915 300.000 6.395 7 + 660000 6600.00 24.214 -43.873 -19.659 3.43 0.357 0.706 0.366 0.048 219.684 300.000 6.437 7 + 670000 6700.00 29.457 -49.118 -19.661 3.27 0.286 0.692 0.395 0.096 267.254 300.000 6.697 7 + 680000 6800.00 29.529 -49.189 -19.660 3.17 0.286 0.765 0.348 0.067 267.898 300.000 6.576 7 + 690000 6900.00 29.336 -48.999 -19.663 3.81 0.071 0.909 0.347 0.090 266.154 300.000 7.126 7 + 700000 7000.00 31.103 -50.764 -19.661 3.50 0.357 0.688 0.318 0.110 282.178 300.000 6.482 7 + 710000 7100.00 32.312 -51.974 -19.662 3.73 0.357 0.688 0.429 0.073 293.152 300.000 6.741 7 + 720000 7200.00 28.862 -48.524 -19.662 2.88 0.214 0.750 0.367 0.058 261.850 300.000 7.091 7 + 730000 7300.00 26.791 -46.454 -19.663 2.80 0.500 0.462 0.350 0.064 243.065 300.000 6.926 7 + 740000 7400.00 30.268 -49.931 -19.663 3.47 0.214 0.750 0.417 0.044 274.611 300.000 6.400 7 + 750000 7500.00 27.233 -46.895 -19.662 3.95 0.286 0.692 0.318 0.034 247.070 300.000 6.415 7 + 760000 7600.00 29.814 -49.476 -19.663 3.95 0.286 0.692 0.318 0.059 270.483 300.000 6.343 7 + 770000 7700.00 36.677 -56.340 -19.663 3.93 0.429 0.667 0.386 0.072 332.752 300.000 6.359 7 + 780000 7800.00 27.526 -47.188 -19.662 3.71 0.357 0.688 0.406 0.042 249.730 300.000 6.327 7 + 790000 7900.00 29.321 -48.983 -19.662 4.01 0.429 0.647 0.447 0.054 266.015 300.000 6.320 7 + 800000 8000.00 25.817 -45.478 -19.661 3.95 0.286 0.765 0.350 0.040 234.221 300.000 6.606 7 + 810000 8100.00 33.140 -52.801 -19.661 3.74 0.500 0.611 0.394 0.041 300.661 300.000 6.350 7 + 820000 8200.00 28.316 -47.979 -19.663 3.99 0.286 0.733 0.418 0.088 256.896 300.000 6.440 7 + 830000 8300.00 32.589 -52.251 -19.662 4.20 0.571 0.579 0.380 0.053 295.662 300.000 6.254 7 + 840000 8400.00 27.895 -47.556 -19.662 4.06 0.429 0.700 0.386 0.063 253.076 300.000 6.223 7 + 850000 8500.00 31.659 -51.321 -19.662 4.06 0.429 0.647 0.425 0.049 287.225 300.000 6.343 7 + 860000 8600.00 21.380 -41.042 -19.662 3.57 0.500 0.588 0.358 0.065 193.967 300.000 6.423 7 + 870000 8700.00 32.519 -52.181 -19.662 3.26 0.357 0.722 0.384 0.054 295.031 300.000 6.556 7 + 880000 8800.00 32.362 -52.023 -19.662 3.44 0.500 0.500 0.321 0.032 293.602 300.000 6.558 7 + 890000 8900.00 29.231 -48.894 -19.663 2.96 0.500 0.533 0.248 0.041 265.201 300.000 6.669 7 + 900000 9000.00 34.929 -54.591 -19.663 3.23 0.500 0.533 0.345 0.073 316.889 300.000 6.615 7 + 910000 9100.00 26.624 -46.284 -19.660 3.05 0.429 0.538 0.409 0.055 241.545 300.000 6.943 7 + 920000 9200.00 28.916 -48.578 -19.662 3.18 0.571 0.556 0.369 0.064 262.343 300.000 6.804 7 + 930000 9300.00 28.329 -47.990 -19.661 3.03 0.429 0.625 0.375 0.068 257.016 300.000 6.748 7 + 940000 9400.00 35.198 -54.862 -19.664 2.97 0.429 0.571 0.331 0.078 319.338 300.000 6.498 7 + 950000 9500.00 29.855 -49.516 -19.662 3.58 0.429 0.455 0.368 0.065 270.858 300.000 6.776 7 + 960000 9600.00 35.814 -55.477 -19.663 2.68 0.429 0.538 0.346 0.102 324.927 300.000 6.687 7 + 970000 9700.00 27.798 -47.458 -19.660 3.20 0.500 0.611 0.341 0.028 252.201 300.000 6.695 7 + 980000 9800.00 38.150 -57.811 -19.661 2.99 0.500 0.611 0.323 0.084 346.116 300.000 6.566 7 + 990000 9900.00 31.715 -51.378 -19.663 3.28 0.571 0.556 0.295 0.090 287.737 300.000 6.513 7 + 1000000 10000.00 30.261 -49.923 -19.661 3.69 0.500 0.562 0.347 0.079 274.548 300.000 6.603 7 diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD000.cx b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD000.cx index beda0c8..2874cf2 100644 Binary files a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD000.cx and b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD000.cx differ diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD001.cx b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD001.cx index 1b05723..7cdc8e0 100644 Binary files a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD001.cx and b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD001.cx differ diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD002.cx b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD002.cx index a98da0b..80a199d 100644 Binary files a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD002.cx and b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD002.cx differ diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD003.cx b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD003.cx index 4b485f0..65a3258 100644 Binary files a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD003.cx and b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD003.cx differ diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD004.cx b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD004.cx index 05bda1d..585d2f6 100644 Binary files a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD004.cx and b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD004.cx differ diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD005.cx b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD005.cx index 737d16a..efce483 100644 Binary files a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD005.cx and b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD005.cx differ diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD006.cx b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD006.cx index 8a2f269..ff581d8 100644 Binary files a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD006.cx and b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD006.cx differ diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD007.cx b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD007.cx index 50010a7..e265d84 100644 Binary files a/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD007.cx and b/examples/unres/MD/microcanonical/VTS/ff_gab/outputs/1L2Y_micro_MD007.cx differ diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/start.mat b/examples/unres/MD/microcanonical/VTS/ff_gab/start.mat index 0d85100..b9cf311 100755 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/start.mat +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N micro-gab-vts +#PBS -N Ber-gab-micro #PBS -q dque #PBS -l nodes=1:ppn=8 -# #PBS -l mem=2gb #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/MD/microcanonical/VTS/ff_gab/unres.csh b/examples/unres/MD/microcanonical/VTS/ff_gab/unres.csh index 3759520..d09c98e 100755 --- a/examples/unres/MD/microcanonical/VTS/ff_gab/unres.csh +++ b/examples/unres/MD/microcanonical/VTS/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_micro setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD.out_GB000 b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD.out_GB000 index b5735ab..2a2bad9 100644 --- a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD.out_GB000 +++ b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_MD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -151,7 +140,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -244,77 +234,41 @@ nsup= 20 12 PRO 20 LEU 3 13 PRO 20 TYR 4 14 PRO 20 TRP 7 - j 2 k 3 +dist.constr 1 2 3 3.88 3.70E-02 - j 2 k 4 +dist.constr 2 2 4 5.58 2.68E-02 - j 2 k 5 +dist.constr 3 2 5 5.04 3.01E-02 - j 2 k 6 +dist.constr 4 2 6 6.32 2.25E-02 - j 2 k 7 +dist.constr 5 2 7 8.77 1.07E-02 - j 2 k 8 +dist.constr 6 2 8 9.91 7.02E-03 - j 2 k 9 +dist.constr 7 2 9 10.61 5.25E-03 - j 2 k 10 +dist.constr 8 2 10 12.89 1.80E-03 - j 3 k 4 +dist.constr 9 3 4 3.86 3.71E-02 - j 3 k 5 +dist.constr 10 3 5 5.48 2.74E-02 - j 3 k 6 +dist.constr 11 3 6 5.24 2.89E-02 - j 3 k 7 +dist.constr 12 3 7 6.43 2.19E-02 - j 3 k 8 +dist.constr 13 3 8 8.85 1.04E-02 - j 3 k 9 +dist.constr 14 3 9 10.21 6.21E-03 - j 3 k 10 +dist.constr 15 3 10 11.39 3.74E-03 - j 4 k 5 +dist.constr 16 4 5 3.87 3.70E-02 - j 4 k 6 +dist.constr 17 4 6 5.41 2.78E-02 - j 4 k 7 +dist.constr 18 4 7 4.91 3.09E-02 - j 4 k 8 +dist.constr 19 4 8 6.11 2.37E-02 - j 4 k 9 +dist.constr 20 4 9 8.65 1.12E-02 - j 4 k 10 +dist.constr 21 4 10 10.11 6.47E-03 - j 5 k 6 +dist.constr 22 5 6 3.85 3.72E-02 - j 5 k 7 +dist.constr 23 5 7 5.39 2.80E-02 - j 5 k 8 +dist.constr 24 5 8 5.08 2.99E-02 - j 5 k 9 +dist.constr 25 5 9 6.11 2.37E-02 - j 5 k 10 +dist.constr 26 5 10 8.79 1.07E-02 - j 6 k 7 +dist.constr 27 6 7 3.87 3.71E-02 - j 6 k 8 +dist.constr 28 6 8 5.61 2.67E-02 - j 6 k 9 +dist.constr 29 6 9 5.36 2.82E-02 - j 6 k 10 +dist.constr 30 6 10 6.73 2.02E-02 - j 7 k 8 +dist.constr 31 7 8 3.86 3.71E-02 - j 7 k 9 +dist.constr 32 7 9 5.70 2.61E-02 - j 7 k 10 +dist.constr 33 7 10 5.59 2.68E-02 - j 8 k 9 +dist.constr 34 8 9 3.88 3.70E-02 - j 8 k 10 +dist.constr 35 8 10 5.38 2.80E-02 - j 9 k 10 +dist.constr 36 9 10 3.86 3.71E-02 +dist.constr 1 2 3 3.88 0.00 0 0.0 +dist.constr 2 2 4 5.58 0.00 0 0.0 @@ -454,7 +408,7 @@ Mesoscopic molecular dynamics (MD) calculation. 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 4.226504204090251E-017 -1.020894735287500E-018 -4.083578941150001E-019 + 1.000476840581750E-017 2.123461049398001E-017 6.125368411725002E-018 alpha-carbon coordinates centroid coordinates @@ -494,5111 +448,4865 @@ TRP 7 3.867 88.657 49.396 3.617 123.650 -21.913 LEU 8 3.859 93.032 48.298 2.105 151.723 -105.899 LYS 9 3.882 94.826 46.843 2.997 106.974 -55.960 ASP 10 3.861 87.966 59.623 1.991 153.447 -128.646 -GLY 11 3.891 89.908 56.679 0.000 180.000 180.000 -GLY 12 3.864 100.181 -87.304 0.000 180.000 180.000 +GLY 11 3.891 89.908 56.679 0.000 0.000 180.000 +GLY 12 3.864 100.181 -87.304 0.000 0.000 180.000 PRO 13 3.886 109.073 -127.499 1.402 101.771 -115.580 SER 14 3.876 89.537 4.261 1.267 144.515 -129.218 SER 15 3.875 91.815 66.108 1.262 161.047 -100.177 -GLY 16 3.866 101.784 70.140 0.000 180.000 180.000 +GLY 16 3.866 101.784 70.140 0.000 0.000 180.000 ARG 17 3.866 92.201 -108.949 3.411 139.846 -132.716 PRO 18 3.878 133.225 103.824 1.397 115.610 -118.024 PRO 19 3.860 121.502 -122.527 1.395 118.575 -122.417 PRO 20 3.858 117.950 -90.285 1.396 118.959 -126.207 SER 21 3.864 114.201 -108.328 0.708 128.925 -37.341 -D 22 3.858 114.201 180.000 0.000 180.000 180.000 +D 22 3.858 114.201 180.000 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -1.475487E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 4.471415E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -9.165378E+01 WEIGHT= 7.153400D-01 (p-p) -EVDWPP= -3.362882E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 6.750243E+02 WEIGHT= 1.000000D+00 (stretching) -EBE= -3.261471E+01 WEIGHT= 1.138730D+00 (bending) -ESC= 5.789477E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 1.479510E+01 WEIGHT= 1.985990D+00 (torsional) -ETORSD= 1.006444E+00 WEIGHT= 1.570690D+00 (double torsional) -EHPB= 2.258117E-31 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -6.528803E+01 WEIGHT= 4.288700D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= -4.012900E+00 WEIGHT= 1.603600D-01 (electrostatic-local) -ETURN3= 1.829789E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) -ETURN4= 6.580750E-01 WEIGHT= 6.623000D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.644012E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 4.471415E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -9.165378E+01 WEIGHT= 7.153400E-01 (p-p) +EVDWPP= -3.362882E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 6.750243E+02 WEIGHT= 1.000000E+00 (stretching) +EBE= -3.261471E+01 WEIGHT= 1.138730E+00 (bending) +ESC= 5.789477E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 1.479510E+01 WEIGHT= 1.985990E+00 (torsional) +ETORSD= 1.006444E+00 WEIGHT= 1.570690E+00 (double torsional) +EHPB= 2.258117E-31 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -6.528803E+01 WEIGHT= 4.288700E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= -4.012900E+00 WEIGHT= 1.603600E-01 (electrostatic-local) +ETURN3= 1.829789E+01 WEIGHT= 1.687220E+00 (turns, 3rd order) +ETURN4= 6.580750E-01 WEIGHT= 6.623000E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 6.628097E+02 (total) +ETOT= 6.605299E+02 (total) Initial: Kinetic energy 3.07644E+01 - potential energy 6.62810E+02 - total energy 6.93574E+02 + potential energy 6.60530E+02 + total energy 6.91294E+02 - maximum acceleration 8.66045E+00 + maximum acceleration 8.71067E+00 - acceleration/energy drift too large 2.55087539017875 - 32.6937280031007 split increased to 2 itime 1 + acceleration/energy drift too large 2.54738216344585 + 32.6192079629551 split increased to 2 itime 1 itsplit 1 - acceleration/energy drift too large 3.46046564509262 - 22.4089110552482 split increased to 2 itime 2 + acceleration/energy drift too large 3.46736394386360 + 22.4627033042234 split increased to 2 itime 2 itsplit 1 - acceleration/energy drift too large 2.68756941879222 - 16.1411631813652 split increased to 2 itime 4 + acceleration/energy drift too large 2.65539853827313 + 16.1892862257053 split increased to 2 itime 4 itsplit 1 - acceleration/energy drift too large 4.37794142316792 - 20.7884328863364 split increased to 2 itime 5 + acceleration/energy drift too large 4.36010051430513 + 19.1390577451144 split increased to 2 itime 5 itsplit 1 - acceleration/energy drift too large 4.37429881396772 - 12.3188898078014 split increased to 2 itime 6 + acceleration/energy drift too large 4.42672652529370 + 12.9524194637811 split increased to 2 itime 6 itsplit 1 - acceleration/energy drift too large 1.49997780702911 - 12.1501748967877 split increased to 2 itime 7 + acceleration/energy drift too large 1.46464810882239 + 11.7026774830263 split increased to 2 itime 7 itsplit 1 - acceleration/energy drift too large 2.80140021232239 - 10.3284759670726 split increased to 2 itime 10 + acceleration/energy drift too large 2.73019986500619 + 10.3103506042108 split increased to 2 itime 10 itsplit 1 - acceleration/energy drift too large 5.17773208793371 - 13.9567201233045 split increased to 2 itime 478 + acceleration/energy drift too large 3.17859632545727 + 13.3156535122049 split increased to 2 itime 139 itsplit 1 - acceleration/energy drift too large 4.61498664480729 - 16.6042818333689 split increased to 2 itime 558 + acceleration/energy drift too large 5.64267139078254 + 17.3867783713496 split increased to 2 itime 661 itsplit 1 -Momenta zeroed out, time 199.80 - acceleration/energy drift too large 4.90545863218322 - 21.2752298847432 split increased to 2 itime 1170 + acceleration/energy drift too large 3.71230403451159 + 11.8266519198005 split increased to 2 itime 891 itsplit 1 - acceleration/energy drift too large 5.79312930605977 - 47.8023616491580 split increased to 2 itime 1265 +Momenta zeroed out, time 199.80 + acceleration/energy drift too large 5.87105162452256 + 25.7013068404047 split increased to 2 itime 1260 itsplit 1 - acceleration/energy drift too large 1.71706299457307 - 14.8438181746345 split increased to 4 itime 1265 + acceleration/energy drift too large 12.0902157466175 + 91.3454602753492 split increased to 2 itime 1284 itsplit 1 - acceleration/energy drift too large 3.07803990129363 - 17.0473468503399 split increased to 2 itime 1308 + acceleration/energy drift too large 4.70804620852380 + 16.8805028788605 split increased to 2 itime 1474 itsplit 1 - acceleration/energy drift too large 8.47655114551737 - 21.9536854328881 split increased to 2 itime 1859 + acceleration/energy drift too large 6.75852401279677 + 12.6092984877714 split increased to 2 itime 1475 itsplit 1 Momenta zeroed out, time 399.80 -Momenta zeroed out, time 599.80 - acceleration/energy drift too large 9.28976685540461 - 33.0421688633453 split increased to 2 itime 3679 + acceleration/energy drift too large 3.47280686905923 + 14.0776637518706 split increased to 2 itime 2129 + itsplit 1 + acceleration/energy drift too large 4.71716014711916 + 12.0400556190426 split increased to 2 itime 2568 itsplit 1 + acceleration/energy drift too large 3.44188418118837 + 14.3203903560517 split increased to 2 itime 2956 + itsplit 1 +Momenta zeroed out, time 599.80 Momenta zeroed out, time 799.80 + acceleration/energy drift too large 6.23097465282156 + 25.6652426198148 split increased to 2 itime 4431 + itsplit 1 + acceleration/energy drift too large 3.83416573595702 + 12.9915532928604 split increased to 2 itime 4656 + itsplit 1 Momenta zeroed out, time 999.80 -Momenta zeroed out, time 1199.80 - acceleration/energy drift too large 7.38275522417338 - 26.0310167923391 split increased to 2 itime 6361 + acceleration/energy drift too large 5.72107030636361 + 12.7295675379765 split increased to 2 itime 5723 itsplit 1 - acceleration/energy drift too large 4.48694008741087 - 14.0641862958477 split increased to 2 itime 6798 +Momenta zeroed out, time 1199.80 + acceleration/energy drift too large 6.29620900221662 + 16.9767058752105 split increased to 2 itime 6997 itsplit 1 Momenta zeroed out, time 1399.80 - acceleration/energy drift too large 4.15587464787410 - 22.6012103525284 split increased to 2 itime 7382 + acceleration/energy drift too large 2.90682069318522 + 16.5472391347793 split increased to 2 itime 7479 itsplit 1 - acceleration/energy drift too large 4.14602221308007 - 10.6687984534118 split increased to 2 itime 7492 + acceleration/energy drift too large 3.97104937796825 + 11.3503763088140 split increased to 2 itime 7527 + itsplit 1 + acceleration/energy drift too large 3.43598995456640 + 10.3315500902151 split increased to 2 itime 7530 itsplit 1 Momenta zeroed out, time 1599.80 - acceleration/energy drift too large 7.71911987111952 - 34.4958169450969 split increased to 2 itime 8954 + acceleration/energy drift too large 5.39959599749701 + 13.3007896560990 split increased to 2 itime 8244 itsplit 1 - acceleration/energy drift too large 2.17393876748795 - 10.3887908018396 split increased to 4 itime 8954 - itsplit 2 - acceleration/energy drift too large 6.45583805362806 - 20.2514993481944 split increased to 2 itime 8964 + acceleration/energy drift too large 2.54454634133517 + 17.0023851651389 split increased to 2 itime 8726 itsplit 1 Momenta zeroed out, time 1799.80 - acceleration/energy drift too large 4.00324026078978 - 13.2581669606895 split increased to 2 itime 9361 - itsplit 1 Velocities reset to random values, time 1999.80 Momenta zeroed out, time 1999.80 - acceleration/energy drift too large 3.83182560150882 - 10.9838757806021 split increased to 2 itime 10224 + acceleration/energy drift too large 6.25676280724269 + 16.4232025127448 split increased to 2 itime 10650 itsplit 1 Momenta zeroed out, time 2199.80 -Momenta zeroed out, time 2399.80 - acceleration/energy drift too large 2.56371893561604 - 10.5208545608302 split increased to 2 itime 12851 + acceleration/energy drift too large 10.3786493959037 + 37.1180527678115 split increased to 2 itime 11030 itsplit 1 -Momenta zeroed out, time 2599.80 - acceleration/energy drift too large 3.81400466965474 - 15.7058022213872 split increased to 2 itime 13195 + acceleration/energy drift too large 4.34770896445017 + 11.3144475077193 split increased to 2 itime 11316 itsplit 1 - acceleration/energy drift too large 6.18632198368788 - 24.0687483790351 split increased to 2 itime 13466 + acceleration/energy drift too large 6.63181271965584 + 17.3894448170520 split increased to 2 itime 11888 itsplit 1 +Momenta zeroed out, time 2399.80 +Momenta zeroed out, time 2599.80 Momenta zeroed out, time 2799.80 - acceleration/energy drift too large 4.23280546642662 - 22.7108569284159 split increased to 2 itime 14061 + acceleration/energy drift too large 4.32940490121899 + 22.8895139048661 split increased to 2 itime 14416 itsplit 1 - acceleration/energy drift too large 2.98756269352614 - 11.4901070539081 split increased to 2 itime 14193 + acceleration/energy drift too large 3.79517572326995 + 14.3681062024848 split increased to 2 itime 14755 itsplit 1 Momenta zeroed out, time 2999.80 - acceleration/energy drift too large 5.01911862891648 - 14.1196377086934 split increased to 2 itime 15145 + acceleration/energy drift too large 2.95683360435630 + 19.8905682188684 split increased to 2 itime 15715 + itsplit 1 + acceleration/energy drift too large 2.07748697747712 + 11.7249290939771 split increased to 2 itime 15716 + itsplit 1 + acceleration/energy drift too large 2.97812018034266 + 17.1554523422669 split increased to 2 itime 15951 itsplit 1 Momenta zeroed out, time 3199.80 - acceleration/energy drift too large 8.83600382416901 - 23.0900326857616 split increased to 2 itime 16754 + acceleration/energy drift too large 3.71593615977614 + 12.7324407481962 split increased to 2 itime 16618 itsplit 1 Momenta zeroed out, time 3399.80 - acceleration/energy drift too large 6.52943229437645 - 19.4766944454692 split increased to 2 itime 17804 + acceleration/energy drift too large 3.90984980822290 + 18.6332899806053 split increased to 2 itime 17232 itsplit 1 Momenta zeroed out, time 3599.80 - acceleration/energy drift too large 3.38402701625478 - 11.6123434675707 split increased to 2 itime 18036 - itsplit 1 - acceleration/energy drift too large 6.55514521773489 - 37.8001157670019 split increased to 2 itime 18051 - itsplit 1 - acceleration/energy drift too large 7.29286662458598 - 49.1539809317584 split increased to 2 itime 18216 - itsplit 1 - acceleration/energy drift too large 3.90124596149759 - 13.4587928836196 split increased to 2 itime 18389 - itsplit 1 - acceleration/energy drift too large 8.08253627662388 - 28.1468620275066 split increased to 2 itime 18700 + acceleration/energy drift too large 2.13338375865100 + 10.5096802665672 split increased to 2 itime 18063 itsplit 1 Momenta zeroed out, time 3799.80 - acceleration/energy drift too large 7.99654101336835 - 19.3572393950580 split increased to 2 itime 19154 - itsplit 1 - acceleration/energy drift too large 6.49804456399320 - 13.0795740628149 split increased to 2 itime 19242 + acceleration/energy drift too large 3.01692007115320 + 12.4337645615279 split increased to 2 itime 19216 itsplit 1 - acceleration/energy drift too large 3.06575876266480 - 10.5482857904185 split increased to 2 itime 19996 + acceleration/energy drift too large 6.82689533486590 + 22.0333833020121 split increased to 2 itime 19232 itsplit 1 Velocities reset to random values, time 3999.80 Momenta zeroed out, time 3999.80 Momenta zeroed out, time 4199.80 - acceleration/energy drift too large 5.42889054026623 - 19.3254208291766 split increased to 2 itime 21091 + acceleration/energy drift too large 4.40627534066727 + 25.1086846366090 split increased to 2 itime 21482 itsplit 1 - acceleration/energy drift too large 12.1332910431081 - 72.9842943203093 split increased to 2 itime 21990 - itsplit 1 - acceleration/energy drift too large 2.37902009576245 - 10.0679950405968 split increased to 4 itime 21990 + acceleration/energy drift too large 2.09408339943045 + 10.7354402596516 split increased to 2 itime 21904 itsplit 1 Momenta zeroed out, time 4399.80 - acceleration/energy drift too large 8.03527530243655 - 33.5424933581094 split increased to 2 itime 22223 + acceleration/energy drift too large 3.16790119740048 + 11.4950942903240 split increased to 2 itime 22140 itsplit 1 Momenta zeroed out, time 4599.80 Momenta zeroed out, time 4799.80 - acceleration/energy drift too large 6.62536291632671 - 19.6362135880466 split increased to 2 itime 24184 + acceleration/energy drift too large 2.73127296463781 + 16.6248091059780 split increased to 2 itime 24521 itsplit 1 - acceleration/energy drift too large 4.96114059075596 - 18.6288824387795 split increased to 2 itime 24428 +Momenta zeroed out, time 4999.80 + acceleration/energy drift too large 4.15801503142508 + 12.8812963786245 split increased to 2 itime 25362 itsplit 1 - acceleration/energy drift too large 3.46751042354474 - 24.7070681263031 split increased to 2 itime 24882 + acceleration/energy drift too large 7.18857637685422 + 18.7726261095932 split increased to 2 itime 25695 itsplit 1 -Momenta zeroed out, time 4999.80 Momenta zeroed out, time 5199.80 - acceleration/energy drift too large 4.65031329578142 - 20.2075094447198 split increased to 2 itime 26737 - itsplit 1 Momenta zeroed out, time 5399.80 + acceleration/energy drift too large 4.12156114733282 + 16.4281563802260 split increased to 2 itime 27476 + itsplit 1 Momenta zeroed out, time 5599.80 Momenta zeroed out, time 5799.80 + acceleration/energy drift too large 5.08808302441803 + 11.2322857442811 split increased to 2 itime 29066 + itsplit 1 + acceleration/energy drift too large 13.5397675589922 + 72.5810589654028 split increased to 2 itime 29512 + itsplit 1 + acceleration/energy drift too large 2.49830277088114 + 10.3049321710372 split increased to 4 itime 29512 + itsplit 2 Velocities reset to random values, time 5999.80 Momenta zeroed out, time 5999.80 - acceleration/energy drift too large 8.13963304036969 - 31.9759249140609 split increased to 2 itime 30431 - itsplit 1 Momenta zeroed out, time 6199.80 Momenta zeroed out, time 6399.80 - acceleration/energy drift too large 2.40474285302809 - 13.9724446081369 split increased to 2 itime 32813 - itsplit 1 - acceleration/energy drift too large 7.66887651254756 - 18.0371332469841 split increased to 2 itime 32940 - itsplit 1 Momenta zeroed out, time 6599.80 - acceleration/energy drift too large 4.54011096597244 - 12.8855268059765 split increased to 2 itime 33017 - itsplit 1 Momenta zeroed out, time 6799.80 - acceleration/energy drift too large 5.06820631896541 - 10.1737484255070 split increased to 2 itime 34389 - itsplit 1 Momenta zeroed out, time 6999.80 -Momenta zeroed out, time 7199.80 - acceleration/energy drift too large 9.90105832732885 - 38.1913605938028 split increased to 2 itime 36059 - itsplit 1 - acceleration/energy drift too large 5.29644342174170 - 12.4710837921322 split increased to 2 itime 36821 + acceleration/energy drift too large 4.52514261825137 + 13.7862007047174 split increased to 2 itime 35290 itsplit 1 +Momenta zeroed out, time 7199.80 Momenta zeroed out, time 7399.80 - acceleration/energy drift too large 10.9974337307524 - 54.5786602035554 split increased to 2 itime 37416 + acceleration/energy drift too large 6.44722930382212 + 17.1773980039479 split increased to 2 itime 37595 + itsplit 1 + acceleration/energy drift too large 4.49202465621047 + 15.0632033176804 split increased to 2 itime 37836 itsplit 1 Momenta zeroed out, time 7599.80 Momenta zeroed out, time 7799.80 Velocities reset to random values, time 7999.80 Momenta zeroed out, time 7999.80 - acceleration/energy drift too large 6.69409316764314 - 19.5766550893360 split increased to 2 itime 40538 - itsplit 1 Momenta zeroed out, time 8199.80 - acceleration/energy drift too large 2.89239028208883 - 17.9379774243772 split increased to 2 itime 41905 - itsplit 1 - acceleration/energy drift too large 3.93250748002657 - 17.5689506017183 split increased to 2 itime 41938 - itsplit 1 Momenta zeroed out, time 8399.80 - acceleration/energy drift too large 2.59445848328979 - 16.5743367153945 split increased to 2 itime 42303 - itsplit 1 - acceleration/energy drift too large 2.51865137095726 - 16.1810824180766 split increased to 2 itime 42429 - itsplit 1 - acceleration/energy drift too large 7.90402634318401 - 30.0062921366526 split increased to 2 itime 42525 +Momenta zeroed out, time 8599.80 + acceleration/energy drift too large 11.6171137223647 + 53.8811523509361 split increased to 2 itime 43052 itsplit 1 - acceleration/energy drift too large 3.01067962077567 - 10.9386479672668 split increased to 2 itime 42548 + acceleration/energy drift too large 11.1497947267214 + 50.6138383995949 split increased to 2 itime 43093 itsplit 1 -Momenta zeroed out, time 8599.80 Momenta zeroed out, time 8799.80 Momenta zeroed out, time 8999.80 - acceleration/energy drift too large 1.51315039123474 - 10.4324427236348 split increased to 2 itime 45028 + acceleration/energy drift too large 3.86350638321895 + 10.0028940775315 split increased to 2 itime 45566 itsplit 1 - acceleration/energy drift too large 5.43825635999384 - 18.3465912224261 split increased to 2 itime 45967 + acceleration/energy drift too large 5.99580175984127 + 11.8884177262470 split increased to 2 itime 45578 itsplit 1 Momenta zeroed out, time 9199.80 + acceleration/energy drift too large 5.74114726020710 + 15.4340051401765 split increased to 2 itime 46976 + itsplit 1 Momenta zeroed out, time 9399.80 - acceleration/energy drift too large 5.20716988600324 - 10.9892761413615 split increased to 2 itime 47383 + acceleration/energy drift too large 2.65663355357588 + 13.2948829982280 split increased to 2 itime 47225 itsplit 1 Momenta zeroed out, time 9599.80 Momenta zeroed out, time 9799.80 - acceleration/energy drift too large 4.67046476961574 - 23.1814607216964 split increased to 2 itime 49349 + acceleration/energy drift too large 3.48019717894999 + 10.3239196022935 split increased to 2 itime 49333 + itsplit 1 + acceleration/energy drift too large 4.24767933946826 + 13.5897208196947 split increased to 2 itime 49924 itsplit 1 Velocities reset to random values, time 9999.80 Momenta zeroed out, time 9999.80 - acceleration/energy drift too large 7.25588466216361 - 15.6567681200165 split increased to 2 itime 50823 - itsplit 1 - acceleration/energy drift too large 6.70081340913085 - 13.0756659415633 split increased to 2 itime 50939 - itsplit 1 Momenta zeroed out, time 10199.80 - acceleration/energy drift too large 7.03592151004871 - 25.0392544052367 split increased to 2 itime 51593 + acceleration/energy drift too large 5.45289198138374 + 12.0598074806159 split increased to 2 itime 51822 itsplit 1 Momenta zeroed out, time 10399.80 - acceleration/energy drift too large 5.60065228438992 - 19.2371351114060 split increased to 2 itime 52509 - itsplit 1 Momenta zeroed out, time 10599.80 + acceleration/energy drift too large 4.23972346875354 + 10.5132098457061 split increased to 2 itime 53337 + itsplit 1 Momenta zeroed out, time 10799.80 - acceleration/energy drift too large 3.60153631554638 - 15.4991410290623 split increased to 2 itime 54190 + acceleration/energy drift too large 5.52072652261083 + 12.6698581503560 split increased to 2 itime 54313 + itsplit 1 + acceleration/energy drift too large 4.02619681352346 + 11.4596496074396 split increased to 2 itime 54616 itsplit 1 Momenta zeroed out, time 10999.80 - acceleration/energy drift too large 6.05787497868453 - 16.7655545484412 split increased to 2 itime 55032 + acceleration/energy drift too large 3.19726539177571 + 17.2326150521805 split increased to 2 itime 55020 itsplit 1 -Momenta zeroed out, time 11199.80 - acceleration/energy drift too large 4.97790794649984 - 13.6454003078984 split increased to 2 itime 56793 + acceleration/energy drift too large 11.9008678071625 + 55.9316821896733 split increased to 2 itime 55218 itsplit 1 - acceleration/energy drift too large 3.78140162584611 - 10.0267763066150 split increased to 2 itime 56837 +Momenta zeroed out, time 11199.80 + acceleration/energy drift too large 3.91269741024331 + 10.5128602880261 split increased to 2 itime 56024 itsplit 1 Momenta zeroed out, time 11399.80 - acceleration/energy drift too large 9.14047792769750 - 35.1078116447473 split increased to 2 itime 57090 + acceleration/energy drift too large 2.14831522893845 + 11.1038112954377 split increased to 2 itime 57122 itsplit 1 -Momenta zeroed out, time 11599.80 - acceleration/energy drift too large 4.60223515498998 - 12.1553700367219 split increased to 2 itime 58274 + acceleration/energy drift too large 5.54596667349496 + 36.0856150121221 split increased to 2 itime 57611 + itsplit 1 + acceleration/energy drift too large 8.65738234175276 + 26.1015507535277 split increased to 2 itime 57752 + itsplit 1 + acceleration/energy drift too large 11.7328056321986 + 70.8348146772487 split increased to 2 itime 57888 itsplit 1 + acceleration/energy drift too large 9.73041145288556 + 47.6768301749550 split increased to 2 itime 57954 + itsplit 1 +Momenta zeroed out, time 11599.80 Momenta zeroed out, time 11799.80 - acceleration/energy drift too large 6.76802864761336 - 14.2032106470122 split increased to 2 itime 59965 + acceleration/energy drift too large 5.29984770369548 + 12.8724824657779 split increased to 2 itime 59859 itsplit 1 - acceleration/energy drift too large 5.11662830294958 - 15.5761866591757 split increased to 2 itime 59992 + acceleration/energy drift too large 6.59365874973963 + 45.3300174281699 split increased to 2 itime 59949 itsplit 1 Velocities reset to random values, time 11999.80 Momenta zeroed out, time 11999.80 - acceleration/energy drift too large 4.50932075474854 - 13.3267650874934 split increased to 2 itime 60947 - itsplit 1 Momenta zeroed out, time 12199.80 -Momenta zeroed out, time 12399.80 - acceleration/energy drift too large 5.07782187336941 - 15.9636270306001 split increased to 2 itime 62124 + acceleration/energy drift too large 5.76318294357460 + 11.1452230720701 split increased to 2 itime 61489 itsplit 1 - acceleration/energy drift too large 2.56034590937383 - 15.0004995881879 split increased to 2 itime 62522 + acceleration/energy drift too large 2.72642638629821 + 10.8627429041076 split increased to 2 itime 61743 itsplit 1 - acceleration/energy drift too large 5.00745613439657 - 12.2742349810663 split increased to 2 itime 62681 - itsplit 1 - acceleration/energy drift too large 3.73572639758230 - 17.3213883836926 split increased to 2 itime 62770 +Momenta zeroed out, time 12399.80 + acceleration/energy drift too large 8.46146180405788 + 33.3850502562509 split increased to 2 itime 62108 itsplit 1 Momenta zeroed out, time 12599.80 - acceleration/energy drift too large 7.22209089648347 - 51.5724878207893 split increased to 2 itime 63095 - itsplit 1 Momenta zeroed out, time 12799.80 - acceleration/energy drift too large 4.92987397832556 - 15.6627697065045 split increased to 2 itime 64845 + acceleration/energy drift too large 7.03666972256239 + 13.7389206730413 split increased to 2 itime 64174 itsplit 1 Momenta zeroed out, time 12999.80 - acceleration/energy drift too large 12.8289665838647 - 67.3844389705054 split increased to 2 itime 65007 +Momenta zeroed out, time 13199.80 + acceleration/energy drift too large 7.36192956373850 + 24.6271459978856 split increased to 2 itime 66160 itsplit 1 - acceleration/energy drift too large 3.12264602995733 - 16.0869073654653 split increased to 4 itime 65007 - itsplit 2 - acceleration/energy drift too large 4.14116795459421 - 12.1648987423409 split increased to 2 itime 65391 + acceleration/energy drift too large 3.27702040149987 + 21.2652845248706 split increased to 2 itime 66392 itsplit 1 -Momenta zeroed out, time 13199.80 + acceleration/energy drift too large 2.45503538810499 + 18.5514257662582 split increased to 2 itime 66736 + itsplit 1 + acceleration/energy drift too large 24.1126742509251 + 169.548874765085 split increased to 2 itime 66924 + itsplit 1 + acceleration/energy drift too large 5.62302705361363 + 37.6921417549787 split increased to 4 itime 66924 + itsplit 2 Momenta zeroed out, time 13399.80 Momenta zeroed out, time 13599.80 - acceleration/energy drift too large 9.96177363922999 - 45.7793319998176 split increased to 2 itime 68638 + acceleration/energy drift too large 4.22800013234238 + 11.3258975781898 split increased to 2 itime 68207 itsplit 1 Momenta zeroed out, time 13799.80 - acceleration/energy drift too large 5.19634908964353 - 23.4798111492418 split increased to 2 itime 69315 + acceleration/energy drift too large 5.12717636918813 + 30.2966410292848 split increased to 2 itime 69705 itsplit 1 Velocities reset to random values, time 13999.80 Momenta zeroed out, time 13999.80 - acceleration/energy drift too large 6.92300497926088 - 19.2819098532337 split increased to 2 itime 70635 - itsplit 1 - acceleration/energy drift too large 4.66892767333785 - 11.7993687618410 split increased to 2 itime 70686 + acceleration/energy drift too large 8.41585894260221 + 29.5188737274204 split increased to 2 itime 70024 itsplit 1 - acceleration/energy drift too large 1.36552787659916 - 10.4280435476150 split increased to 2 itime 70687 + acceleration/energy drift too large 2.96539290007317 + 11.2570075197237 split increased to 2 itime 70025 itsplit 1 Momenta zeroed out, time 14199.80 - acceleration/energy drift too large 5.59224173310241 - 12.4203305734693 split increased to 2 itime 71616 - itsplit 1 Momenta zeroed out, time 14399.80 - acceleration/energy drift too large 14.4345577980528 - 97.0620054183153 split increased to 2 itime 72229 - itsplit 1 - acceleration/energy drift too large 4.82155342797198 - 18.0856983736470 split increased to 2 itime 72514 - itsplit 1 Momenta zeroed out, time 14599.80 + acceleration/energy drift too large 3.31606126407574 + 11.6178894434840 split increased to 2 itime 73730 + itsplit 1 Momenta zeroed out, time 14799.80 Momenta zeroed out, time 14999.80 - acceleration/energy drift too large 5.27601667309285 - 12.9975674726818 split increased to 2 itime 75964 - itsplit 1 Momenta zeroed out, time 15199.80 + acceleration/energy drift too large 2.65409044266129 + 20.2590761216592 split increased to 2 itime 76593 + itsplit 1 + acceleration/energy drift too large 4.48533815337029 + 15.9334360470316 split increased to 2 itime 76943 + itsplit 1 Momenta zeroed out, time 15399.80 + acceleration/energy drift too large 4.44819088790164 + 17.9984284541389 split increased to 2 itime 77302 + itsplit 1 Momenta zeroed out, time 15599.80 - acceleration/energy drift too large 4.82704129530256 - 26.3968425716550 split increased to 2 itime 78352 + acceleration/energy drift too large 5.36312379892633 + 11.1725588103697 split increased to 2 itime 78027 itsplit 1 - acceleration/energy drift too large 5.17297587801789 - 14.0743239918247 split increased to 2 itime 78456 + acceleration/energy drift too large 4.05914677722310 + 10.4186821507089 split increased to 2 itime 78029 itsplit 1 -Momenta zeroed out, time 15799.80 - acceleration/energy drift too large 6.01102350118143 - 31.3598182376408 split increased to 2 itime 79061 + acceleration/energy drift too large 7.50332741680400 + 26.1314918789018 split increased to 2 itime 78150 + itsplit 1 + acceleration/energy drift too large 7.61539718037226 + 25.9698111615267 split increased to 2 itime 78462 itsplit 1 - acceleration/energy drift too large 6.54933431827050 - 23.9672977181560 split increased to 2 itime 79681 +Momenta zeroed out, time 15799.80 + acceleration/energy drift too large 10.7200223021680 + 39.8770067573447 split increased to 2 itime 79123 itsplit 1 Velocities reset to random values, time 15999.80 Momenta zeroed out, time 15999.80 - acceleration/energy drift too large 3.11639615036044 - 21.1751210204151 split increased to 2 itime 80440 + acceleration/energy drift too large 4.76041118334219 + 12.6746034555337 split increased to 2 itime 80074 itsplit 1 Momenta zeroed out, time 16199.80 Momenta zeroed out, time 16399.80 - acceleration/energy drift too large 6.03806418917305 - 22.5463299270312 split increased to 2 itime 82920 + acceleration/energy drift too large 4.89159323744193 + 10.8360279864784 split increased to 2 itime 82675 itsplit 1 Momenta zeroed out, time 16599.80 - acceleration/energy drift too large 1.87537911875610 - 10.4772751883116 split increased to 2 itime 83327 + acceleration/energy drift too large 8.69869473496810 + 19.1389269385608 split increased to 2 itime 83110 + itsplit 1 + acceleration/energy drift too large 2.89507652387191 + 14.2883757283603 split increased to 2 itime 83421 itsplit 1 Momenta zeroed out, time 16799.80 Momenta zeroed out, time 16999.80 + acceleration/energy drift too large 7.08560999553944 + 20.5519432730943 split increased to 2 itime 85681 + itsplit 1 + acceleration/energy drift too large 2.80568559190123 + 15.0178146196797 split increased to 4 itime 85681 + itsplit 1 Momenta zeroed out, time 17199.80 Momenta zeroed out, time 17399.80 - acceleration/energy drift too large 12.7953842892588 - 63.2964429147350 split increased to 2 itime 87409 + acceleration/energy drift too large 5.24136096415904 + 19.0632295682629 split increased to 2 itime 87062 itsplit 1 - acceleration/energy drift too large 14.8799098351887 - 70.3331969620055 split increased to 2 itime 87612 + acceleration/energy drift too large 2.04161884849476 + 10.4910264541200 split increased to 2 itime 87610 itsplit 1 Momenta zeroed out, time 17599.80 + acceleration/energy drift too large 4.66879251191556 + 15.4931802926214 split increased to 2 itime 88994 + itsplit 1 Momenta zeroed out, time 17799.80 - acceleration/energy drift too large 6.63850728827624 - 14.4581576680315 split increased to 2 itime 89216 +Velocities reset to random values, time 17999.80 +Momenta zeroed out, time 17999.80 + acceleration/energy drift too large 2.38348975497572 + 16.5478181348260 split increased to 2 itime 90471 itsplit 1 - acceleration/energy drift too large 4.70206072644866 - 10.2002886784687 split increased to 2 itime 89618 + acceleration/energy drift too large 6.04236600055773 + 17.1924905307231 split increased to 2 itime 90593 itsplit 1 - acceleration/energy drift too large 7.08180310572114 - 20.3161630556032 split increased to 2 itime 89640 + acceleration/energy drift too large 3.25909707781312 + 12.3781558485386 split increased to 2 itime 90633 itsplit 1 -Velocities reset to random values, time 17999.80 -Momenta zeroed out, time 17999.80 - acceleration/energy drift too large 2.16255258339038 - 13.8497829464677 split increased to 2 itime 90513 + acceleration/energy drift too large 7.45213107299183 + 15.6991051992729 split increased to 2 itime 90635 itsplit 1 Momenta zeroed out, time 18199.80 + acceleration/energy drift too large 2.24730780803223 + 16.3698666527881 split increased to 2 itime 91113 + itsplit 1 + acceleration/energy drift too large 5.74892604568396 + 16.4960128568561 split increased to 2 itime 91912 + itsplit 1 Momenta zeroed out, time 18399.80 + acceleration/energy drift too large 3.68750145855662 + 11.1726044486768 split increased to 2 itime 92288 + itsplit 1 + acceleration/energy drift too large 7.27764351471912 + 25.6168039032242 split increased to 2 itime 92436 + itsplit 1 Momenta zeroed out, time 18599.80 + acceleration/energy drift too large 3.61950083185107 + 12.3100537862731 split increased to 2 itime 93850 + itsplit 1 Momenta zeroed out, time 18799.80 - acceleration/energy drift too large 3.18351136770342 - 11.3019801382200 split increased to 2 itime 94963 + acceleration/energy drift too large 7.50501354290798 + 11.5636789582070 split increased to 2 itime 94014 itsplit 1 Momenta zeroed out, time 18999.80 - acceleration/energy drift too large 11.7593891291287 - 56.1890291738793 split increased to 2 itime 95602 + acceleration/energy drift too large 6.30993977389300 + 19.5154212954545 split increased to 2 itime 95116 + itsplit 1 + acceleration/energy drift too large 5.99485249564914 + 12.8233212373513 split increased to 2 itime 95926 itsplit 1 Momenta zeroed out, time 19199.80 - acceleration/energy drift too large 4.59561318273598 - 15.1669148278024 split increased to 2 itime 96337 + acceleration/energy drift too large 2.18694350599953 + 10.1680313081587 split increased to 2 itime 96230 itsplit 1 -Momenta zeroed out, time 19399.80 -Momenta zeroed out, time 19599.80 -Momenta zeroed out, time 19799.80 - acceleration/energy drift too large 3.78308652680886 - 12.4315013351331 split increased to 2 itime 99031 + acceleration/energy drift too large 16.7307829738647 + 82.2586651462254 split increased to 2 itime 96533 itsplit 1 - acceleration/energy drift too large 4.22232151942996 - 12.7958512871859 split increased to 2 itime 99114 + acceleration/energy drift too large 5.51262351108439 + 12.6169491035539 split increased to 2 itime 96775 itsplit 1 - acceleration/energy drift too large 5.26606861138380 - 24.3955981835222 split increased to 2 itime 99162 + acceleration/energy drift too large 2.51353571291587 + 13.8422576497827 split increased to 2 itime 96995 itsplit 1 - acceleration/energy drift too large 3.29977203306328 - 11.7723113888890 split increased to 2 itime 99664 +Momenta zeroed out, time 19399.80 + acceleration/energy drift too large 14.5663777889216 + 100.987864930930 split increased to 2 itime 97671 itsplit 1 -Velocities reset to random values, time 19999.80 -Momenta zeroed out, time 19999.80 - acceleration/energy drift too large 3.25547304166504 - 22.4203476975928 split increased to 2 itime 100111 + acceleration/energy drift too large 2.83127930611503 + 18.3289083149652 split increased to 2 itime 97711 itsplit 1 - acceleration/energy drift too large 6.33094636586070 - 14.2126259408108 split increased to 2 itime 100285 +Momenta zeroed out, time 19599.80 +Momenta zeroed out, time 19799.80 + acceleration/energy drift too large 1.25257058451719 + 14.4876195117518 split increased to 2 itime 99663 itsplit 1 - acceleration/energy drift too large 4.72144333827006 - 24.5918392971009 split increased to 2 itime 100764 +Velocities reset to random values, time 19999.80 +Momenta zeroed out, time 19999.80 + acceleration/energy drift too large 11.8762145147991 + 65.2293169632272 split increased to 2 itime 100851 itsplit 1 Momenta zeroed out, time 20199.80 - acceleration/energy drift too large 3.52287110072441 - 15.7380399144625 split increased to 2 itime 101153 + acceleration/energy drift too large 4.85852503156474 + 10.5082567424858 split increased to 2 itime 101470 itsplit 1 - acceleration/energy drift too large 4.39837694552656 - 17.8062629773156 split increased to 2 itime 101983 + acceleration/energy drift too large 6.02572204542806 + 23.2648240296604 split increased to 2 itime 101763 itsplit 1 Momenta zeroed out, time 20399.80 - acceleration/energy drift too large 5.74899253034546 - 19.7545394813787 split increased to 2 itime 102128 - itsplit 1 - acceleration/energy drift too large 6.77210767531368 - 44.6960228866131 split increased to 2 itime 102769 - itsplit 1 - acceleration/energy drift too large 3.19724284736827 - 10.7077523453137 split increased to 2 itime 102863 - itsplit 1 Momenta zeroed out, time 20599.80 Momenta zeroed out, time 20799.80 - acceleration/energy drift too large 7.17360750802533 - 12.9318935835835 split increased to 2 itime 104089 +Momenta zeroed out, time 20999.80 + acceleration/energy drift too large 3.93936676351050 + 10.2082702039961 split increased to 2 itime 105270 itsplit 1 - acceleration/energy drift too large 2.18273275994606 - 10.6282656062938 split increased to 2 itime 104272 + acceleration/energy drift too large 5.87390771618274 + 15.4980613206540 split increased to 2 itime 105272 + itsplit 1 + acceleration/energy drift too large 4.66701480021919 + 10.0815973225253 split increased to 2 itime 105830 + itsplit 1 + acceleration/energy drift too large 2.92648235692769 + 12.4828020968280 split increased to 2 itime 105831 itsplit 1 -Momenta zeroed out, time 20999.80 Momenta zeroed out, time 21199.80 - acceleration/energy drift too large 4.92122489551196 - 15.0419972238898 split increased to 2 itime 106247 + acceleration/energy drift too large 2.47504654678754 + 14.8095280215995 split increased to 2 itime 106792 itsplit 1 Momenta zeroed out, time 21399.80 - acceleration/energy drift too large 1.86306711442657 - 16.6016425931567 split increased to 2 itime 107052 +Momenta zeroed out, time 21599.80 + acceleration/energy drift too large 4.07483200736213 + 11.1038141954723 split increased to 2 itime 108116 itsplit 1 - acceleration/energy drift too large 6.26494480048187 - 15.0603772556952 split increased to 2 itime 107407 + acceleration/energy drift too large 4.68050201087160 + 11.6306345070318 split increased to 2 itime 108990 + itsplit 1 + acceleration/energy drift too large 6.53563681202678 + 14.1049726136304 split increased to 2 itime 108992 itsplit 1 -Momenta zeroed out, time 21599.80 Momenta zeroed out, time 21799.80 + acceleration/energy drift too large 4.66871751328158 + 33.1277481287029 split increased to 2 itime 109715 + itsplit 1 Velocities reset to random values, time 21999.80 Momenta zeroed out, time 21999.80 - acceleration/energy drift too large 7.39721259026358 - 57.1445580539515 split increased to 2 itime 110550 + acceleration/energy drift too large 5.51014156519514 + 11.2083592880858 split increased to 2 itime 110682 itsplit 1 - acceleration/energy drift too large 5.05648724313895 - 25.0359360724757 split increased to 2 itime 110759 + acceleration/energy drift too large 5.18442782562887 + 10.0972504499187 split increased to 2 itime 110778 itsplit 1 -Momenta zeroed out, time 22199.80 -Momenta zeroed out, time 22399.80 - acceleration/energy drift too large 2.00915358480224 - 10.5814217210991 split increased to 2 itime 112052 + acceleration/energy drift too large 7.49254154375515 + 28.7415929907595 split increased to 2 itime 110968 itsplit 1 - acceleration/energy drift too large 3.87565083544711 - 14.0182609937153 split increased to 2 itime 112381 - itsplit 1 - acceleration/energy drift too large 5.93290564313990 - 37.6128317758606 split increased to 2 itime 112701 +Momenta zeroed out, time 22199.80 + acceleration/energy drift too large 4.55809118861822 + 18.7545374953198 split increased to 2 itime 111216 itsplit 1 - acceleration/energy drift too large 3.53601697619210 - 10.0759610171764 split increased to 2 itime 112823 + acceleration/energy drift too large 4.12814137500632 + 11.1740736560228 split increased to 2 itime 111917 itsplit 1 +Momenta zeroed out, time 22399.80 Momenta zeroed out, time 22599.80 - acceleration/energy drift too large 5.59029679718183 - 12.4875911210731 split increased to 2 itime 113475 + acceleration/energy drift too large 4.26745277237735 + 13.7500229678597 split increased to 2 itime 113714 + itsplit 1 + acceleration/energy drift too large 9.63799067204794 + 43.0911674487844 split increased to 2 itime 113808 itsplit 1 Momenta zeroed out, time 22799.80 - acceleration/energy drift too large 5.63448422575289 - 41.2377284501783 split increased to 2 itime 114162 + acceleration/energy drift too large 2.47282354564495 + 10.4989048978244 split increased to 2 itime 114373 itsplit 1 Momenta zeroed out, time 22999.80 Momenta zeroed out, time 23199.80 - acceleration/energy drift too large 4.70667926472623 - 11.0382726228585 split increased to 2 itime 116046 - itsplit 1 - acceleration/energy drift too large 14.8944913121779 - 103.171782304916 split increased to 2 itime 116746 - itsplit 1 Momenta zeroed out, time 23399.80 Momenta zeroed out, time 23599.80 - acceleration/energy drift too large 7.14898223736565 - 25.6563703350555 split increased to 2 itime 118961 - itsplit 1 Momenta zeroed out, time 23799.80 - acceleration/energy drift too large 3.29984219169709 - 24.1269913612671 split increased to 2 itime 119143 + acceleration/energy drift too large 3.42199496822361 + 12.0558874600784 split increased to 2 itime 119070 itsplit 1 - acceleration/energy drift too large 3.62926913402150 - 13.3566162089432 split increased to 2 itime 119168 + acceleration/energy drift too large 5.18749825903882 + 16.9230582265116 split increased to 2 itime 119175 itsplit 1 Velocities reset to random values, time 23999.80 Momenta zeroed out, time 23999.80 - acceleration/energy drift too large 4.74578615993495 - 15.7037068823932 split increased to 2 itime 120265 - itsplit 1 Momenta zeroed out, time 24199.80 + acceleration/energy drift too large 3.10141976462109 + 24.3703293612998 split increased to 2 itime 121859 + itsplit 1 Momenta zeroed out, time 24399.80 + acceleration/energy drift too large 6.98810566075721 + 15.6829687104921 split increased to 2 itime 122537 + itsplit 1 Momenta zeroed out, time 24599.80 Momenta zeroed out, time 24799.80 - acceleration/energy drift too large 5.98910602639558 - 20.9411663508165 split increased to 2 itime 124065 + acceleration/energy drift too large 9.36172558572010 + 37.7568193008159 split increased to 2 itime 124559 itsplit 1 - acceleration/energy drift too large 7.12288470273346 - 18.3870380462112 split increased to 2 itime 124097 - itsplit 1 - acceleration/energy drift too large 9.83268842971182 - 48.0280256859914 split increased to 2 itime 124905 - itsplit 1 - acceleration/energy drift too large 1.99984665018631 - 10.6214562548278 split increased to 2 itime 124906 + acceleration/energy drift too large 5.12543692040312 + 10.0934016037278 split increased to 2 itime 124615 itsplit 1 Momenta zeroed out, time 24999.80 - acceleration/energy drift too large 4.92697441559905 - 19.1745814128225 split increased to 2 itime 125345 + acceleration/energy drift too large 5.92327680378720 + 15.2398761002288 split increased to 2 itime 125212 itsplit 1 - acceleration/energy drift too large 3.24736236072122 - 10.2171971985237 split increased to 2 itime 125373 + acceleration/energy drift too large 3.65078114232427 + 12.9766584792068 split increased to 2 itime 125571 itsplit 1 - acceleration/energy drift too large 6.44781538296950 - 13.8690095741179 split increased to 2 itime 125943 + acceleration/energy drift too large 4.80639773350389 + 13.9173590365129 split increased to 2 itime 125898 itsplit 1 Momenta zeroed out, time 25199.80 - acceleration/energy drift too large 8.27305242068458 - 29.4046065619784 split increased to 2 itime 126202 + acceleration/energy drift too large 8.70183828025171 + 23.3371905575370 split increased to 2 itime 126547 itsplit 1 Momenta zeroed out, time 25399.80 - acceleration/energy drift too large 10.4233170954129 - 57.2991695248392 split increased to 2 itime 127282 - itsplit 1 - acceleration/energy drift too large 7.11683445864857 - 36.3213950694350 split increased to 2 itime 127793 - itsplit 1 Momenta zeroed out, time 25599.80 - acceleration/energy drift too large 3.92801775905141 - 12.1069218946944 split increased to 2 itime 128416 - itsplit 1 Momenta zeroed out, time 25799.80 - acceleration/energy drift too large 6.13431880993543 - 22.6712454003964 split increased to 2 itime 129455 + acceleration/energy drift too large 5.14576470476707 + 14.2163523069565 split increased to 2 itime 129791 itsplit 1 Velocities reset to random values, time 25999.80 Momenta zeroed out, time 25999.80 - acceleration/energy drift too large 4.79831407195882 - 14.9258056188397 split increased to 2 itime 130103 - itsplit 1 - acceleration/energy drift too large 2.64317700672917 - 11.2060186556853 split increased to 2 itime 130356 + acceleration/energy drift too large 3.41770230313688 + 10.6080820930963 split increased to 2 itime 130641 itsplit 1 Momenta zeroed out, time 26199.80 -Momenta zeroed out, time 26399.80 - acceleration/energy drift too large 8.06486434156009 - 26.2140993851136 split increased to 2 itime 132169 + acceleration/energy drift too large 5.01773464224243 + 23.5022625495647 split increased to 2 itime 131311 + itsplit 1 + acceleration/energy drift too large 7.94187469727095 + 29.0906214556605 split increased to 2 itime 131756 itsplit 1 - acceleration/energy drift too large 3.00694844843111 - 13.8623582965112 split increased to 2 itime 132582 +Momenta zeroed out, time 26399.80 + acceleration/energy drift too large 5.24751587239159 + 16.8419450066956 split increased to 2 itime 132585 itsplit 1 - acceleration/energy drift too large 5.79067326595465 - 16.3383714937148 split increased to 2 itime 132816 + acceleration/energy drift too large 2.22547721794777 + 13.6646713222367 split increased to 2 itime 132696 itsplit 1 Momenta zeroed out, time 26599.80 -Momenta zeroed out, time 26799.80 - acceleration/energy drift too large 2.04959132057005 - 10.1079729525620 split increased to 2 itime 134549 + acceleration/energy drift too large 5.84163567115144 + 13.9479616302641 split increased to 2 itime 133065 itsplit 1 - acceleration/energy drift too large 8.76605269907713 - 34.1490506776761 split increased to 2 itime 134631 + acceleration/energy drift too large 4.13756193288937 + 12.6581405353335 split increased to 2 itime 133428 itsplit 1 -Momenta zeroed out, time 26999.80 - acceleration/energy drift too large 5.85705460768693 - 11.7815578632003 split increased to 2 itime 135159 + acceleration/energy drift too large 4.00323550968345 + 11.4988727733951 split increased to 2 itime 133497 itsplit 1 - acceleration/energy drift too large 1.92180809313659 - 10.9725919811516 split increased to 2 itime 135335 + acceleration/energy drift too large 8.90287063753519 + 40.7668205094833 split increased to 2 itime 133555 itsplit 1 -Momenta zeroed out, time 27199.80 -Momenta zeroed out, time 27399.80 - acceleration/energy drift too large 5.14271154675916 - 19.7487066690797 split increased to 2 itime 137845 + acceleration/energy drift too large 4.72219834796829 + 24.6809260074525 split increased to 2 itime 133641 + itsplit 1 + acceleration/energy drift too large 3.37900699418805 + 15.7108981620742 split increased to 2 itime 133785 + itsplit 1 +Momenta zeroed out, time 26799.80 + acceleration/energy drift too large 5.14900449328356 + 15.5730331054387 split increased to 2 itime 134501 itsplit 1 - acceleration/energy drift too large 4.31478589152035 - 19.3463752822197 split increased to 2 itime 137936 +Momenta zeroed out, time 26999.80 + acceleration/energy drift too large 3.99243469176448 + 23.2850639730679 split increased to 2 itime 135131 itsplit 1 +Momenta zeroed out, time 27199.80 +Momenta zeroed out, time 27399.80 Momenta zeroed out, time 27599.80 + acceleration/energy drift too large 6.76206872108178 + 20.8166490893241 split increased to 2 itime 138133 + itsplit 1 Momenta zeroed out, time 27799.80 - acceleration/energy drift too large 5.48647629097452 - 10.0039313112842 split increased to 2 itime 139948 + acceleration/energy drift too large 5.68938310505766 + 18.3946577417383 split increased to 2 itime 139501 itsplit 1 Velocities reset to random values, time 27999.80 Momenta zeroed out, time 27999.80 - acceleration/energy drift too large 8.95683475639673 - 38.5316486227952 split increased to 2 itime 140055 + acceleration/energy drift too large 4.64089678836143 + 11.7540501861713 split increased to 2 itime 140312 itsplit 1 - acceleration/energy drift too large 3.80623797600850 - 16.2419535173346 split increased to 2 itime 140191 + acceleration/energy drift too large 4.13305683371824 + 15.2159632954039 split increased to 2 itime 140398 itsplit 1 Momenta zeroed out, time 28199.80 -Momenta zeroed out, time 28399.80 - acceleration/energy drift too large 3.49457963669695 - 13.4404016437807 split increased to 2 itime 142028 - itsplit 1 - acceleration/energy drift too large 6.01154373845979 - 27.6437538515276 split increased to 2 itime 142455 + acceleration/energy drift too large 4.85896040498932 + 27.5859193469370 split increased to 2 itime 141348 itsplit 1 - acceleration/energy drift too large 3.99715434258814 - 19.4526246619768 split increased to 2 itime 142751 +Momenta zeroed out, time 28399.80 + acceleration/energy drift too large 6.72631820709604 + 26.0167241340563 split increased to 2 itime 142728 itsplit 1 Momenta zeroed out, time 28599.80 - acceleration/energy drift too large 4.48404664599248 - 10.9447737996517 split increased to 2 itime 143884 + acceleration/energy drift too large 3.05660459751515 + 19.6173902446453 split increased to 2 itime 143163 itsplit 1 Momenta zeroed out, time 28799.80 - acceleration/energy drift too large 8.39518627383071 - 50.2106432936281 split increased to 2 itime 144718 + acceleration/energy drift too large 5.97740770267324 + 18.4066291228975 split increased to 2 itime 144323 itsplit 1 Momenta zeroed out, time 28999.80 Momenta zeroed out, time 29199.80 - acceleration/energy drift too large 5.20159824141658 - 20.7332969252705 split increased to 2 itime 146048 - itsplit 1 - acceleration/energy drift too large 4.60970626106309 - 10.0380934759626 split increased to 2 itime 146548 - itsplit 1 - acceleration/energy drift too large 5.44985074032855 - 13.7299808138642 split increased to 2 itime 146766 - itsplit 1 - acceleration/energy drift too large 2.57816984426010 - 18.1981282941894 split increased to 2 itime 146780 + acceleration/energy drift too large 3.81923604150933 + 10.0813857440067 split increased to 2 itime 146365 itsplit 1 Momenta zeroed out, time 29399.80 - acceleration/energy drift too large 8.08182792402596 - 30.5120107325992 split increased to 2 itime 147734 - itsplit 1 - acceleration/energy drift too large 9.66610991009007 - 36.7436553314607 split increased to 2 itime 147906 - itsplit 1 - acceleration/energy drift too large 1.95791085728450 - 13.3502547995906 split increased to 2 itime 147907 + acceleration/energy drift too large 4.88880948391380 + 23.7053572015836 split increased to 2 itime 147796 itsplit 1 Momenta zeroed out, time 29599.80 - acceleration/energy drift too large 4.02166849170945 - 10.5157720908562 split increased to 2 itime 148030 - itsplit 1 - acceleration/energy drift too large 3.10809087364037 - 20.5049319653573 split increased to 2 itime 148067 - itsplit 1 - acceleration/energy drift too large 7.13221116579381 - 16.8282012204735 split increased to 2 itime 148394 + acceleration/energy drift too large 5.06140660632680 + 12.6491814384351 split increased to 2 itime 148228 itsplit 1 Momenta zeroed out, time 29799.80 - acceleration/energy drift too large 3.96515134847433 - 13.2460629546487 split increased to 2 itime 149037 + acceleration/energy drift too large 4.65582625075591 + 18.0504127664611 split increased to 2 itime 149188 + itsplit 1 + acceleration/energy drift too large 4.19381231437508 + 16.6015708925613 split increased to 2 itime 149531 itsplit 1 Velocities reset to random values, time 29999.80 Momenta zeroed out, time 29999.80 - acceleration/energy drift too large 4.82532666548247 - 31.2479767657474 split increased to 2 itime 150642 - itsplit 1 - acceleration/energy drift too large 5.26518133842093 - 14.9917914453304 split increased to 2 itime 150961 - itsplit 1 Momenta zeroed out, time 30199.80 - acceleration/energy drift too large 4.75329262106611 - 10.0625117594691 split increased to 2 itime 151005 + acceleration/energy drift too large 5.90356379059756 + 15.4523144866103 split increased to 2 itime 151331 itsplit 1 Momenta zeroed out, time 30399.80 -Momenta zeroed out, time 30599.80 - acceleration/energy drift too large 5.51533440777196 - 10.4886392847217 split increased to 2 itime 153693 + acceleration/energy drift too large 4.82022777456457 + 29.7384703459757 split increased to 2 itime 152216 itsplit 1 - acceleration/energy drift too large 2.63657180320672 - 10.2378235764496 split increased to 2 itime 153960 - itsplit 1 -Momenta zeroed out, time 30799.80 - acceleration/energy drift too large 6.25687918269374 - 13.5294010397370 split increased to 2 itime 154080 + acceleration/energy drift too large 6.55947555869897 + 19.0969880154305 split increased to 2 itime 152330 itsplit 1 - acceleration/energy drift too large 1.91326809321661 - 12.0733111755595 split increased to 2 itime 154147 + acceleration/energy drift too large 2.55980819728946 + 10.0531463091692 split increased to 2 itime 152745 itsplit 1 - acceleration/energy drift too large 6.48186416089611 - 14.7321855116965 split increased to 2 itime 154210 +Momenta zeroed out, time 30599.80 +Momenta zeroed out, time 30799.80 + acceleration/energy drift too large 3.95416202301586 + 10.2849206404952 split increased to 2 itime 154898 itsplit 1 - acceleration/energy drift too large 1.69073263323390 - 16.5113944521443 split increased to 2 itime 154393 +Momenta zeroed out, time 30999.80 + acceleration/energy drift too large 2.67250435405906 + 16.8348760046007 split increased to 2 itime 155259 itsplit 1 - acceleration/energy drift too large 4.50917524809764 - 13.0037004618332 split increased to 2 itime 154480 + acceleration/energy drift too large 5.56692279155659 + 14.3538009577302 split increased to 2 itime 155314 itsplit 1 -Momenta zeroed out, time 30999.80 - acceleration/energy drift too large 8.69867722171947 - 35.6460824944812 split increased to 2 itime 155591 + acceleration/energy drift too large 5.85857237354166 + 16.0763714920555 split increased to 2 itime 155699 itsplit 1 Momenta zeroed out, time 31199.80 Momenta zeroed out, time 31399.80 - acceleration/energy drift too large 2.69266510729868 - 12.1226056401982 split increased to 2 itime 157943 + acceleration/energy drift too large 9.09121164222272 + 30.0313708966149 split increased to 2 itime 157458 itsplit 1 Momenta zeroed out, time 31599.80 + acceleration/energy drift too large 10.1049497363488 + 34.7790328177101 split increased to 2 itime 158845 + itsplit 1 Momenta zeroed out, time 31799.80 - acceleration/energy drift too large 2.90195893039007 - 15.7985762433428 split increased to 2 itime 159415 + acceleration/energy drift too large 3.15076619587370 + 14.0942418513792 split increased to 2 itime 159147 + itsplit 1 + acceleration/energy drift too large 6.97267885057554 + 11.2580230872722 split increased to 2 itime 159400 itsplit 1 - acceleration/energy drift too large 2.84986107680678 - 16.7816277168817 split increased to 2 itime 159473 + acceleration/energy drift too large 2.10028603276960 + 14.6375243284386 split increased to 2 itime 159467 itsplit 1 - acceleration/energy drift too large 3.54624497180822 - 11.1788871823576 split increased to 2 itime 159628 + acceleration/energy drift too large 6.29804033511160 + 11.4491301302963 split increased to 2 itime 159773 itsplit 1 Velocities reset to random values, time 31999.80 Momenta zeroed out, time 31999.80 + acceleration/energy drift too large 10.5600157638222 + 46.4830416596946 split increased to 2 itime 160050 + itsplit 1 + acceleration/energy drift too large 5.07433995135917 + 10.4254515911214 split increased to 2 itime 160154 + itsplit 1 + acceleration/energy drift too large 6.50742682767173 + 18.2161099252552 split increased to 2 itime 160193 + itsplit 1 + acceleration/energy drift too large 8.95170030219996 + 34.8230533836294 split increased to 2 itime 160387 + itsplit 1 Momenta zeroed out, time 32199.80 + acceleration/energy drift too large 7.56749591862067 + 20.3208301032824 split increased to 2 itime 161134 + itsplit 1 + acceleration/energy drift too large 1.57063354031684 + 11.6342274538842 split increased to 2 itime 161483 + itsplit 1 Momenta zeroed out, time 32399.80 -Momenta zeroed out, time 32599.80 - acceleration/energy drift too large 5.39529575167816 - 10.9693970729638 split increased to 2 itime 163371 + acceleration/energy drift too large 3.74714499643391 + 11.0709956322666 split increased to 2 itime 162110 itsplit 1 - acceleration/energy drift too large 2.52051862038197 - 21.5396780616647 split increased to 2 itime 163532 +Momenta zeroed out, time 32599.80 + acceleration/energy drift too large 7.80709483480350 + 19.0132687264509 split increased to 2 itime 163959 itsplit 1 Momenta zeroed out, time 32799.80 - acceleration/energy drift too large 3.76643330484415 - 13.2669648928915 split increased to 2 itime 164780 - itsplit 1 Momenta zeroed out, time 32999.80 - acceleration/energy drift too large 5.81321748453006 - 19.8464943926628 split increased to 2 itime 165017 - itsplit 1 - acceleration/energy drift too large 7.74286338693452 - 16.7719379361563 split increased to 2 itime 165401 - itsplit 1 Momenta zeroed out, time 33199.80 - acceleration/energy drift too large 6.47065857137289 - 20.0854999677322 split increased to 2 itime 166994 + acceleration/energy drift too large 4.22384952581145 + 14.1735268297775 split increased to 2 itime 166523 itsplit 1 -Momenta zeroed out, time 33399.80 - acceleration/energy drift too large 13.8713379693250 - 57.3249827657801 split increased to 2 itime 167195 + acceleration/energy drift too large 4.99316710784651 + 13.4554822441206 split increased to 2 itime 166956 itsplit 1 - acceleration/energy drift too large 6.46289324049563 - 10.6978178285772 split increased to 2 itime 167607 +Momenta zeroed out, time 33399.80 + acceleration/energy drift too large 2.44119426763397 + 13.8855562369586 split increased to 2 itime 167032 itsplit 1 Momenta zeroed out, time 33599.80 + acceleration/energy drift too large 4.02366317512923 + 10.5219918971649 split increased to 2 itime 168362 + itsplit 1 Momenta zeroed out, time 33799.80 - acceleration/energy drift too large 4.64401593767681 - 15.5250664697040 split increased to 2 itime 169951 + acceleration/energy drift too large 5.43169305664548 + 14.7245990059658 split increased to 2 itime 169629 + itsplit 1 + acceleration/energy drift too large 5.02837963008755 + 23.4356003124382 split increased to 2 itime 169906 itsplit 1 Velocities reset to random values, time 33999.80 Momenta zeroed out, time 33999.80 - acceleration/energy drift too large 5.93718259277011 - 13.6008628909953 split increased to 2 itime 170362 + acceleration/energy drift too large 6.96454686670584 + 31.8370126082691 split increased to 2 itime 170093 + itsplit 1 + acceleration/energy drift too large 3.75589362580757 + 25.4909225345516 split increased to 2 itime 170942 itsplit 1 Momenta zeroed out, time 34199.80 + acceleration/energy drift too large 5.74431114480328 + 32.3795620381612 split increased to 2 itime 171984 + itsplit 1 Momenta zeroed out, time 34399.80 - acceleration/energy drift too large 3.52565972813310 - 10.1519779191537 split increased to 2 itime 172203 + acceleration/energy drift too large 1.89106758656458 + 16.0014247396065 split increased to 2 itime 172768 itsplit 1 -Momenta zeroed out, time 34599.80 -Momenta zeroed out, time 34799.80 - acceleration/energy drift too large 6.92822437120390 - 17.7816966015466 split increased to 2 itime 174642 + acceleration/energy drift too large 2.38997229308888 + 19.0602746057108 split increased to 2 itime 172769 itsplit 1 - acceleration/energy drift too large 6.58431802164958 - 11.2847421822183 split increased to 2 itime 174997 +Momenta zeroed out, time 34599.80 + acceleration/energy drift too large 8.38583444065089 + 21.9183021814367 split increased to 2 itime 173872 itsplit 1 +Momenta zeroed out, time 34799.80 Momenta zeroed out, time 34999.80 - acceleration/energy drift too large 2.78951583397877 - 14.7688256956096 split increased to 2 itime 175446 - itsplit 1 - acceleration/energy drift too large 14.5589322031765 - 73.5263962097684 split increased to 2 itime 175517 - itsplit 1 Momenta zeroed out, time 35199.80 -Momenta zeroed out, time 35399.80 - acceleration/energy drift too large 7.53471962583623 - 17.7353609024856 split increased to 2 itime 177119 + acceleration/energy drift too large 2.80552503563631 + 23.2879658569079 split increased to 2 itime 176608 itsplit 1 - acceleration/energy drift too large 5.27715941219155 - 17.5063950440070 split increased to 2 itime 177712 - itsplit 1 - acceleration/energy drift too large 5.02038890242143 - 11.9922758127899 split increased to 2 itime 177913 +Momenta zeroed out, time 35399.80 + acceleration/energy drift too large 2.64805335454323 + 22.4013736975529 split increased to 2 itime 177949 itsplit 1 Momenta zeroed out, time 35599.80 + acceleration/energy drift too large 4.02378068730910 + 12.2890193791794 split increased to 2 itime 178061 + itsplit 1 Momenta zeroed out, time 35799.80 Velocities reset to random values, time 35999.80 Momenta zeroed out, time 35999.80 - acceleration/energy drift too large 4.74581894194069 - 12.9150084906951 split increased to 2 itime 180964 - itsplit 1 Momenta zeroed out, time 36199.80 - acceleration/energy drift too large 3.85100727174125 - 21.3157437793545 split increased to 2 itime 181663 + acceleration/energy drift too large 5.46688682742679 + 11.2653614141776 split increased to 2 itime 181929 itsplit 1 Momenta zeroed out, time 36399.80 -Momenta zeroed out, time 36599.80 -Momenta zeroed out, time 36799.80 - acceleration/energy drift too large 4.58467315817382 - 12.6870916210258 split increased to 2 itime 184079 + acceleration/energy drift too large 5.61829165105268 + 11.0087762177984 split increased to 2 itime 182037 itsplit 1 - acceleration/energy drift too large 9.55908677662372 - 47.2518973623192 split increased to 2 itime 184715 + acceleration/energy drift too large 2.22186049673983 + 11.4015986546042 split increased to 2 itime 182979 itsplit 1 - acceleration/energy drift too large 6.20075318225440 - 13.1937789454250 split increased to 2 itime 184921 - itsplit 1 -Momenta zeroed out, time 36999.80 -Momenta zeroed out, time 37199.80 - acceleration/energy drift too large 12.7145546022802 - 75.8561262050862 split increased to 2 itime 186302 +Momenta zeroed out, time 36599.80 + acceleration/energy drift too large 4.24957056918265 + 12.4961911436735 split increased to 2 itime 183429 itsplit 1 - acceleration/energy drift too large 4.53276104647836 - 12.2349165453080 split increased to 2 itime 186940 +Momenta zeroed out, time 36799.80 + acceleration/energy drift too large 5.08777312533204 + 16.0343861429787 split increased to 2 itime 184361 itsplit 1 - acceleration/energy drift too large 6.44714111938374 - 21.4082943771614 split increased to 2 itime 186970 +Momenta zeroed out, time 36999.80 + acceleration/energy drift too large 4.79324503615779 + 16.5336952803850 split increased to 2 itime 185420 itsplit 1 +Momenta zeroed out, time 37199.80 Momenta zeroed out, time 37399.80 -Momenta zeroed out, time 37599.80 - acceleration/energy drift too large 4.69989410296719 - 13.8407654393709 split increased to 2 itime 188305 - itsplit 1 - acceleration/energy drift too large 3.17354517105502 - 10.4413801777686 split increased to 2 itime 188471 - itsplit 1 - acceleration/energy drift too large 4.38909158318903 - 19.3389160820291 split increased to 2 itime 188820 + acceleration/energy drift too large 2.23175924984677 + 10.3457809080783 split increased to 2 itime 187730 itsplit 1 +Momenta zeroed out, time 37599.80 Momenta zeroed out, time 37799.80 Velocities reset to random values, time 37999.80 Momenta zeroed out, time 37999.80 - acceleration/energy drift too large 11.8208901999964 - 81.7922504578469 split increased to 2 itime 190010 - itsplit 1 - acceleration/energy drift too large 2.30774754204369 - 13.4897133921116 split increased to 4 itime 190010 - itsplit 2 Momenta zeroed out, time 38199.80 Momenta zeroed out, time 38399.80 - acceleration/energy drift too large 7.54902108794244 - 10.0515241287632 split increased to 2 itime 192294 + acceleration/energy drift too large 6.31083872334261 + 48.3643776513759 split increased to 2 itime 192159 itsplit 1 -Momenta zeroed out, time 38599.80 - acceleration/energy drift too large 9.84764238625759 - 35.9611628348330 split increased to 2 itime 193854 + acceleration/energy drift too large 5.94021974783396 + 26.2884044461812 split increased to 2 itime 192204 itsplit 1 - acceleration/energy drift too large 5.37444386595967 - 11.2109216758329 split increased to 2 itime 193940 + acceleration/energy drift too large 4.91729029824909 + 25.4167238705453 split increased to 2 itime 192205 itsplit 1 -Momenta zeroed out, time 38799.80 - acceleration/energy drift too large 5.79880125744075 - 12.5638638254577 split increased to 2 itime 194165 + acceleration/energy drift too large 5.61651864276937 + 35.8631511477888 split increased to 2 itime 192454 itsplit 1 -Momenta zeroed out, time 38999.80 - acceleration/energy drift too large 5.03234760225730 - 13.0384568624587 split increased to 2 itime 195440 +Momenta zeroed out, time 38599.80 + acceleration/energy drift too large 2.12507867600117 + 12.4255375586730 split increased to 2 itime 193290 itsplit 1 - acceleration/energy drift too large 5.10822338910014 - 19.9443648133414 split increased to 2 itime 195511 +Momenta zeroed out, time 38799.80 + acceleration/energy drift too large 9.97937854104652 + 36.4709264118971 split increased to 2 itime 194657 itsplit 1 - acceleration/energy drift too large 4.83130018846836 - 14.1151237780598 split increased to 2 itime 195692 +Momenta zeroed out, time 38999.80 + acceleration/energy drift too large 6.42703756058227 + 19.7650691856352 split increased to 2 itime 195009 itsplit 1 Momenta zeroed out, time 39199.80 - acceleration/energy drift too large 8.63298774983931 - 35.6624167354309 split increased to 2 itime 196001 - itsplit 1 - acceleration/energy drift too large 8.61657394577672 - 17.3229902529459 split increased to 2 itime 196125 + acceleration/energy drift too large 6.09758426836416 + 23.4186325961915 split increased to 2 itime 196027 itsplit 1 - acceleration/energy drift too large 4.80779175231044 - 11.6304454354232 split increased to 2 itime 196327 - itsplit 1 - acceleration/energy drift too large 4.94749451594213 - 26.1287383672853 split increased to 2 itime 196996 + acceleration/energy drift too large 9.92036051315300 + 41.0486270973617 split increased to 2 itime 196654 itsplit 1 Momenta zeroed out, time 39399.80 - acceleration/energy drift too large 6.30767594079296 - 46.3034784244091 split increased to 2 itime 197031 - itsplit 1 - acceleration/energy drift too large 5.36895371462064 - 29.1368958096840 split increased to 2 itime 197784 - itsplit 1 Momenta zeroed out, time 39599.80 Momenta zeroed out, time 39799.80 + acceleration/energy drift too large 6.33365910879731 + 29.1185300445000 split increased to 2 itime 199216 + itsplit 1 + acceleration/energy drift too large 6.20564554521007 + 15.1414068598140 split increased to 2 itime 199509 + itsplit 1 Velocities reset to random values, time 39999.80 Momenta zeroed out, time 39999.80 - acceleration/energy drift too large 3.55506172102696 - 10.5660393849863 split increased to 2 itime 200569 - itsplit 1 - acceleration/energy drift too large 4.50710410821220 - 17.3323219965339 split increased to 2 itime 200643 + acceleration/energy drift too large 3.22735493349045 + 14.2768264678010 split increased to 2 itime 200337 itsplit 1 Momenta zeroed out, time 40199.80 + acceleration/energy drift too large 4.70428873334812 + 10.2398228415133 split increased to 2 itime 201586 + itsplit 1 + acceleration/energy drift too large 5.43054178191299 + 10.8769872694157 split increased to 2 itime 201841 + itsplit 1 Momenta zeroed out, time 40399.80 - acceleration/energy drift too large 3.07664758423786 - 10.7583750950724 split increased to 2 itime 202124 + acceleration/energy drift too large 5.28502843983908 + 19.8363933064310 split increased to 2 itime 202616 itsplit 1 - acceleration/energy drift too large 4.38740210984320 - 10.2342740991512 split increased to 2 itime 202599 + acceleration/energy drift too large 5.87770433220573 + 20.7286187569896 split increased to 2 itime 202920 itsplit 1 Momenta zeroed out, time 40599.80 + acceleration/energy drift too large 3.87436367082658 + 10.2709529409414 split increased to 2 itime 203711 + itsplit 1 Momenta zeroed out, time 40799.80 + acceleration/energy drift too large 6.00310745037635 + 25.0407420748394 split increased to 2 itime 204113 + itsplit 1 Momenta zeroed out, time 40999.80 Momenta zeroed out, time 41199.80 - acceleration/energy drift too large 5.77011965661746 - 13.8180049000654 split increased to 2 itime 206194 + acceleration/energy drift too large 1.61777794938031 + 17.1165570416188 split increased to 2 itime 206781 itsplit 1 - acceleration/energy drift too large 6.95938223355267 - 11.3278864405875 split increased to 2 itime 206210 - itsplit 1 - acceleration/energy drift too large 5.05066837183069 - 16.8499648141776 split increased to 2 itime 206223 +Momenta zeroed out, time 41399.80 + acceleration/energy drift too large 10.4933996283255 + 51.4995563608230 split increased to 2 itime 207364 itsplit 1 - acceleration/energy drift too large 8.06566641654217 - 30.7812090015156 split increased to 2 itime 206890 + acceleration/energy drift too large 5.63041831825891 + 13.9754265062289 split increased to 2 itime 207991 itsplit 1 -Momenta zeroed out, time 41399.80 Momenta zeroed out, time 41599.80 Momenta zeroed out, time 41799.80 + acceleration/energy drift too large 4.59194396392507 + 10.4160900868057 split increased to 2 itime 209378 + itsplit 1 + acceleration/energy drift too large 2.71700870485763 + 17.1591858076362 split increased to 2 itime 209583 + itsplit 1 Velocities reset to random values, time 41999.80 Momenta zeroed out, time 41999.80 - acceleration/energy drift too large 5.91977775252910 - 10.6803343835512 split increased to 2 itime 210632 + acceleration/energy drift too large 2.32977311769287 + 11.3077292954291 split increased to 2 itime 210160 itsplit 1 Momenta zeroed out, time 42199.80 - acceleration/energy drift too large 5.07349986651407 - 13.8952569851725 split increased to 2 itime 211285 + acceleration/energy drift too large 5.38587255996952 + 11.4883771735391 split increased to 2 itime 211446 itsplit 1 - acceleration/energy drift too large 3.35458955289683 - 11.0467391194108 split increased to 2 itime 211286 + acceleration/energy drift too large 6.90060232304308 + 21.4719115258514 split increased to 2 itime 211892 itsplit 1 - acceleration/energy drift too large 4.87739585496630 - 14.8674173213997 split increased to 2 itime 211908 + acceleration/energy drift too large 2.90237339699240 + 16.2222837839326 split increased to 2 itime 211893 itsplit 1 Momenta zeroed out, time 42399.80 + acceleration/energy drift too large 2.75220219949225 + 11.2362279983158 split increased to 2 itime 212274 + itsplit 1 Momenta zeroed out, time 42599.80 Momenta zeroed out, time 42799.80 + acceleration/energy drift too large 5.22731963913673 + 13.8125478014535 split increased to 2 itime 214159 + itsplit 1 + acceleration/energy drift too large 3.88790602569855 + 10.2035596660933 split increased to 2 itime 214911 + itsplit 1 Momenta zeroed out, time 42999.80 + acceleration/energy drift too large 2.60121382044029 + 13.9939552132775 split increased to 2 itime 215364 + itsplit 1 Momenta zeroed out, time 43199.80 - acceleration/energy drift too large 11.1362200845122 - 59.3503388944192 split increased to 2 itime 216362 + acceleration/energy drift too large 3.74628887583817 + 26.4768463530277 split increased to 2 itime 216933 itsplit 1 Momenta zeroed out, time 43399.80 -Momenta zeroed out, time 43599.80 - acceleration/energy drift too large 5.67597689534888 - 12.4126196283752 split increased to 2 itime 218138 - itsplit 1 - acceleration/energy drift too large 4.80176969713857 - 11.1180463562717 split increased to 2 itime 218897 + acceleration/energy drift too large 6.29753207957836 + 18.0014463236315 split increased to 2 itime 217186 itsplit 1 +Momenta zeroed out, time 43599.80 Momenta zeroed out, time 43799.80 - acceleration/energy drift too large 2.84303111308912 - 12.9834308238606 split increased to 2 itime 219103 - itsplit 1 - acceleration/energy drift too large 4.70453704616680 - 20.2874981044508 split increased to 2 itime 219309 + acceleration/energy drift too large 4.45555784391550 + 16.0842200518154 split increased to 2 itime 219985 itsplit 1 Velocities reset to random values, time 43999.80 Momenta zeroed out, time 43999.80 - acceleration/energy drift too large 3.02496080441572 - 14.0995859004277 split increased to 2 itime 220689 + acceleration/energy drift too large 5.90009600206764 + 30.7297008031201 split increased to 2 itime 220215 itsplit 1 Momenta zeroed out, time 44199.80 - acceleration/energy drift too large 12.4727649391679 - 95.5743207079583 split increased to 2 itime 221974 - itsplit 1 Momenta zeroed out, time 44399.80 - acceleration/energy drift too large 6.61388711789682 - 19.6558400671167 split increased to 2 itime 222379 + acceleration/energy drift too large 7.62187693297824 + 36.9964757095112 split increased to 2 itime 222391 itsplit 1 - acceleration/energy drift too large 2.50003576176006 - 13.0925987344367 split increased to 2 itime 222800 + acceleration/energy drift too large 6.07119331775631 + 10.3935148518838 split increased to 2 itime 222643 itsplit 1 Momenta zeroed out, time 44599.80 Momenta zeroed out, time 44799.80 - acceleration/energy drift too large 3.77438479391928 - 14.8841258269838 split increased to 2 itime 224930 - itsplit 1 Momenta zeroed out, time 44999.80 - acceleration/energy drift too large 7.68238904907449 - 21.5143436340472 split increased to 2 itime 225458 - itsplit 1 - acceleration/energy drift too large 4.68886226629531 - 13.3648833601620 split increased to 2 itime 225759 - itsplit 1 - acceleration/energy drift too large 4.96971291931503 - 13.7287910691061 split increased to 2 itime 225825 + acceleration/energy drift too large 5.37921296765854 + 13.8149191565753 split increased to 2 itime 225356 itsplit 1 Momenta zeroed out, time 45199.80 - acceleration/energy drift too large 5.02143494062215 - 12.7874728064492 split increased to 2 itime 226325 - itsplit 1 -Momenta zeroed out, time 45399.80 - acceleration/energy drift too large 2.66137108437115 - 17.7738562355306 split increased to 2 itime 227058 - itsplit 1 - acceleration/energy drift too large 5.81958107465269 - 21.7470537755722 split increased to 2 itime 227269 + acceleration/energy drift too large 5.86974064665076 + 13.6710502128944 split increased to 2 itime 226008 itsplit 1 - acceleration/energy drift too large 2.91055647044333 - 11.4514077425872 split increased to 2 itime 227270 + acceleration/energy drift too large 5.90964814095553 + 20.0598269804683 split increased to 2 itime 226571 itsplit 1 - acceleration/energy drift too large 7.55068622000672 - 40.0053221922647 split increased to 2 itime 227533 + acceleration/energy drift too large 3.53497006563905 + 10.6119936687819 split increased to 2 itime 226817 itsplit 1 - acceleration/energy drift too large 2.84863261047385 - 17.4901238066548 split increased to 2 itime 227780 +Momenta zeroed out, time 45399.80 + acceleration/energy drift too large 5.04510357879391 + 18.5006707098389 split increased to 2 itime 227514 itsplit 1 Momenta zeroed out, time 45599.80 - acceleration/energy drift too large 4.48308705932839 - 29.7433542831064 split increased to 2 itime 228719 +Momenta zeroed out, time 45799.80 + acceleration/energy drift too large 6.40647597294503 + 31.6713145344695 split increased to 2 itime 229518 itsplit 1 - acceleration/energy drift too large 5.37756693747883 - 19.9860236912424 split increased to 2 itime 228962 - itsplit 1 -Momenta zeroed out, time 45799.80 Velocities reset to random values, time 45999.80 Momenta zeroed out, time 45999.80 Momenta zeroed out, time 46199.80 - acceleration/energy drift too large 3.35648939484031 - 10.7366050972861 split increased to 2 itime 231153 - itsplit 1 - acceleration/energy drift too large 3.21700039979248 - 10.9346665900812 split increased to 2 itime 231602 + acceleration/energy drift too large 12.8733849787327 + 76.3682162147813 split increased to 2 itime 231710 itsplit 1 Momenta zeroed out, time 46399.80 - acceleration/energy drift too large 2.53839882409238 - 12.3535167823799 split increased to 2 itime 232558 - itsplit 1 - acceleration/energy drift too large 3.99960137210021 - 10.2276879842827 split increased to 2 itime 232920 - itsplit 1 Momenta zeroed out, time 46599.80 - acceleration/energy drift too large 2.86722675001342 - 15.3555609172311 split increased to 2 itime 233563 + acceleration/energy drift too large 13.0217781446538 + 61.7599410754488 split increased to 2 itime 233282 itsplit 1 - acceleration/energy drift too large 5.09320393061311 - 10.5520567616978 split increased to 2 itime 233629 + acceleration/energy drift too large 7.61838740233241 + 26.7975263672308 split increased to 2 itime 233837 itsplit 1 Momenta zeroed out, time 46799.80 - acceleration/energy drift too large 6.20537169073892 - 15.2014995289837 split increased to 2 itime 234035 +Momenta zeroed out, time 46999.80 + acceleration/energy drift too large 3.59326757732029 + 11.2083034435317 split increased to 2 itime 235375 itsplit 1 - acceleration/energy drift too large 0.939092321892666 - 10.9115674275400 split increased to 2 itime 234605 + acceleration/energy drift too large 4.25955159055160 + 10.0117389599665 split increased to 2 itime 235579 + itsplit 1 + acceleration/energy drift too large 4.55715445134611 + 16.8827730355374 split increased to 2 itime 235639 + itsplit 1 + acceleration/energy drift too large 4.18215892319029 + 10.7511616922608 split increased to 2 itime 235722 itsplit 1 -Momenta zeroed out, time 46999.80 Momenta zeroed out, time 47199.80 Momenta zeroed out, time 47399.80 Momenta zeroed out, time 47599.80 + acceleration/energy drift too large 6.33343343805356 + 18.5779930881404 split increased to 2 itime 238992 + itsplit 1 Momenta zeroed out, time 47799.80 + acceleration/energy drift too large 4.95751001552707 + 15.1514729972174 split increased to 2 itime 239122 + itsplit 1 + acceleration/energy drift too large 7.66504365459804 + 28.7273566762334 split increased to 2 itime 239825 + itsplit 1 + acceleration/energy drift too large 3.62144915099662 + 10.6922169905727 split increased to 2 itime 239917 + itsplit 1 + acceleration/energy drift too large 3.57267905598509 + 11.0414345276359 split increased to 2 itime 239921 + itsplit 1 Velocities reset to random values, time 47999.80 Momenta zeroed out, time 47999.80 - acceleration/energy drift too large 4.18147722685315 - 11.8883701595109 split increased to 2 itime 240081 + acceleration/energy drift too large 8.08741219814243 + 17.7596924541136 split increased to 2 itime 240431 itsplit 1 Momenta zeroed out, time 48199.80 - acceleration/energy drift too large 9.55449663522326 - 44.5591358344668 split increased to 2 itime 241096 - itsplit 1 Momenta zeroed out, time 48399.80 -Momenta zeroed out, time 48599.80 - acceleration/energy drift too large 2.71642932871711 - 12.7623093873288 split increased to 2 itime 243894 + acceleration/energy drift too large 3.75531766697815 + 14.9697947205529 split increased to 2 itime 242009 itsplit 1 + acceleration/energy drift too large 6.94834830321245 + 24.9810356029780 split increased to 2 itime 242018 + itsplit 1 +Momenta zeroed out, time 48599.80 Momenta zeroed out, time 48799.80 -Momenta zeroed out, time 48999.80 -Momenta zeroed out, time 49199.80 - acceleration/energy drift too large 5.20052465475368 - 12.0467450114199 split increased to 2 itime 246486 + acceleration/energy drift too large 7.14616340132716 + 27.2457408016248 split increased to 2 itime 244071 itsplit 1 - acceleration/energy drift too large 5.40907394987294 - 23.5472869681471 split increased to 2 itime 246514 + acceleration/energy drift too large 4.01459420217109 + 13.1523772215564 split increased to 2 itime 244218 itsplit 1 -Momenta zeroed out, time 49399.80 - acceleration/energy drift too large 4.40848584179436 - 11.4901949300884 split increased to 2 itime 247075 +Momenta zeroed out, time 48999.80 + acceleration/energy drift too large 6.04693476421231 + 10.5659798041556 split increased to 2 itime 245337 + itsplit 1 + acceleration/energy drift too large 2.70212833711535 + 11.2364599662025 split increased to 2 itime 245734 itsplit 1 - acceleration/energy drift too large 4.43868398987424 - 10.3509711399897 split increased to 2 itime 247118 +Momenta zeroed out, time 49199.80 + acceleration/energy drift too large 7.09583564821728 + 20.2961987829953 split increased to 2 itime 246039 itsplit 1 - acceleration/energy drift too large 6.05503913719346 - 25.5699606385034 split increased to 2 itime 247132 + acceleration/energy drift too large 5.14714956692311 + 17.6915445018763 split increased to 2 itime 246399 itsplit 1 - acceleration/energy drift too large 3.52768166348190 - 10.3811638030188 split increased to 2 itime 247247 + acceleration/energy drift too large 4.29260576805135 + 11.0127792890455 split increased to 2 itime 246619 itsplit 1 +Momenta zeroed out, time 49399.80 Momenta zeroed out, time 49599.80 Momenta zeroed out, time 49799.80 - acceleration/energy drift too large 4.24264102811292 - 17.1311860498521 split increased to 2 itime 249201 - itsplit 1 Velocities reset to random values, time 49999.80 Momenta zeroed out, time 49999.80 - acceleration/energy drift too large 3.16374254201391 - 11.5082300368797 split increased to 2 itime 250509 + acceleration/energy drift too large 5.25667420940649 + 28.2491203250594 split increased to 2 itime 250835 itsplit 1 -Momenta zeroed out, time 50199.80 - acceleration/energy drift too large 4.22181722938707 - 17.6137189074580 split increased to 2 itime 251430 + acceleration/energy drift too large 12.4458519987126 + 81.8661620855405 split increased to 2 itime 250949 itsplit 1 +Momenta zeroed out, time 50199.80 Momenta zeroed out, time 50399.80 - acceleration/energy drift too large 8.07053638463422 - 24.8307036937632 split increased to 2 itime 252238 - itsplit 1 - acceleration/energy drift too large 7.41083168607324 - 27.3874031878152 split increased to 2 itime 252665 + acceleration/energy drift too large 6.54317306599110 + 10.0716470898628 split increased to 2 itime 252358 itsplit 1 Momenta zeroed out, time 50599.80 - acceleration/energy drift too large 6.26961252902648 - 14.8005651746988 split increased to 2 itime 253341 - itsplit 1 Momenta zeroed out, time 50799.80 - acceleration/energy drift too large 12.3728339106402 - 63.7294303283626 split increased to 2 itime 254197 + acceleration/energy drift too large 2.06981878220081 + 11.1724864319940 split increased to 2 itime 254360 itsplit 1 - acceleration/energy drift too large 5.12273796585534 - 11.5771173412502 split increased to 2 itime 254448 + acceleration/energy drift too large 4.45684074415262 + 12.3972052651105 split increased to 2 itime 254587 itsplit 1 Momenta zeroed out, time 50999.80 - acceleration/energy drift too large 4.35926321363899 - 16.7215203361000 split increased to 2 itime 255030 + acceleration/energy drift too large 7.39366614641493 + 24.0890276148574 split increased to 2 itime 255686 itsplit 1 Momenta zeroed out, time 51199.80 + acceleration/energy drift too large 8.38664989123224 + 21.5564913722219 split increased to 2 itime 256863 + itsplit 1 Momenta zeroed out, time 51399.80 - acceleration/energy drift too large 2.75755363078980 - 14.3564399331457 split increased to 2 itime 257495 + acceleration/energy drift too large 4.64732369247181 + 10.0191598622920 split increased to 2 itime 257212 + itsplit 1 + acceleration/energy drift too large 5.23890440508057 + 12.6450060510760 split increased to 2 itime 257582 itsplit 1 Momenta zeroed out, time 51599.80 + acceleration/energy drift too large 9.38832569794279 + 38.7886316224233 split increased to 2 itime 258562 + itsplit 1 + acceleration/energy drift too large 2.48444706964992 + 10.6156390116911 split increased to 4 itime 258562 + itsplit 2 Momenta zeroed out, time 51799.80 - acceleration/energy drift too large 2.11161288593898 - 14.5147037932519 split increased to 2 itime 259907 + acceleration/energy drift too large 2.35918201916027 + 14.1481141978928 split increased to 2 itime 259144 + itsplit 1 + acceleration/energy drift too large 5.27535615518833 + 15.2087772761511 split increased to 2 itime 259378 itsplit 1 Velocities reset to random values, time 51999.80 Momenta zeroed out, time 51999.80 - acceleration/energy drift too large 6.98415474398088 - 10.8338840886090 split increased to 2 itime 260242 + acceleration/energy drift too large 5.53067093023631 + 12.2888649503905 split increased to 2 itime 260226 itsplit 1 - acceleration/energy drift too large 6.49480379873156 - 19.6417356417658 split increased to 2 itime 260837 + acceleration/energy drift too large 6.56855573990957 + 21.7938425331958 split increased to 2 itime 260379 itsplit 1 Momenta zeroed out, time 52199.80 + acceleration/energy drift too large 4.67843222339839 + 11.0607764610715 split increased to 2 itime 261138 + itsplit 1 + acceleration/energy drift too large 19.2178923869480 + 114.845859176466 split increased to 2 itime 261820 + itsplit 1 Momenta zeroed out, time 52399.80 + acceleration/energy drift too large 11.4909032201024 + 70.3004430741927 split increased to 2 itime 262162 + itsplit 1 + acceleration/energy drift too large 5.32706105220094 + 14.3770793312146 split increased to 2 itime 262700 + itsplit 1 + acceleration/energy drift too large 5.16743947391062 + 10.1619663302513 split increased to 2 itime 262976 + itsplit 1 Momenta zeroed out, time 52599.80 - acceleration/energy drift too large 4.79280127697938 - 16.9644556035934 split increased to 2 itime 263691 + acceleration/energy drift too large 15.1809395064463 + 85.8315170136329 split increased to 2 itime 263295 itsplit 1 - acceleration/energy drift too large 9.76271541850407 - 31.7520656989371 split increased to 2 itime 263908 + acceleration/energy drift too large 13.0019804894591 + 72.9834031376788 split increased to 2 itime 263572 + itsplit 1 + acceleration/energy drift too large 1.74665382716291 + 10.4170303348155 split increased to 2 itime 263898 itsplit 1 Momenta zeroed out, time 52799.80 - acceleration/energy drift too large 3.42020606374010 - 10.3668085519406 split increased to 2 itime 264334 + acceleration/energy drift too large 5.87999492457834 + 26.1533684744033 split increased to 2 itime 264354 itsplit 1 Momenta zeroed out, time 52999.80 - acceleration/energy drift too large 9.42917765051797 - 35.1647269599173 split increased to 2 itime 265856 - itsplit 1 - acceleration/energy drift too large 4.59124232699468 - 28.1598888550167 split increased to 4 itime 265856 + acceleration/energy drift too large 2.30574246172027 + 12.3563793447491 split increased to 2 itime 265185 itsplit 1 Momenta zeroed out, time 53199.80 - acceleration/energy drift too large 6.29083917985169 - 16.5784910904203 split increased to 2 itime 266489 - itsplit 1 - acceleration/energy drift too large 3.87278212932402 - 20.4248400328528 split increased to 2 itime 266620 - itsplit 1 - acceleration/energy drift too large 4.41254133699029 - 15.3506184868677 split increased to 2 itime 266690 + acceleration/energy drift too large 2.81462946765826 + 20.0316068509129 split increased to 2 itime 266125 itsplit 1 Momenta zeroed out, time 53399.80 - acceleration/energy drift too large 9.43475773623341 - 25.8187254093263 split increased to 2 itime 267164 - itsplit 1 Momenta zeroed out, time 53599.80 - acceleration/energy drift too large 6.31934428805772 - 18.9047254691859 split increased to 2 itime 268671 - itsplit 1 - acceleration/energy drift too large 5.17541530776042 - 10.9624251324015 split increased to 2 itime 268825 + acceleration/energy drift too large 6.39299627389112 + 22.8682844130567 split increased to 2 itime 268635 itsplit 1 Momenta zeroed out, time 53799.80 - acceleration/energy drift too large 5.86724609817459 - 17.7833924659777 split increased to 2 itime 269101 + acceleration/energy drift too large 6.79050150961619 + 21.0120234702803 split increased to 2 itime 269271 itsplit 1 Velocities reset to random values, time 53999.80 Momenta zeroed out, time 53999.80 - acceleration/energy drift too large 8.75952949905171 - 22.8516031793920 split increased to 2 itime 270538 - itsplit 1 - acceleration/energy drift too large 8.01637118118181 - 14.6185745559671 split increased to 2 itime 270590 - itsplit 1 Momenta zeroed out, time 54199.80 - acceleration/energy drift too large 5.18678096611225 - 10.4967353449298 split increased to 2 itime 271080 - itsplit 1 - acceleration/energy drift too large 5.53088182294247 - 18.5542971540780 split increased to 2 itime 271903 - itsplit 1 - acceleration/energy drift too large 6.52000509089056 - 15.3442828266490 split increased to 2 itime 271940 + acceleration/energy drift too large 16.3645887128260 + 94.5325545963424 split increased to 2 itime 271232 itsplit 1 - acceleration/energy drift too large 3.88961670894018 - 19.4667017184141 split increased to 2 itime 271960 + acceleration/energy drift too large 4.03960175371592 + 23.6341988499000 split increased to 4 itime 271232 + itsplit 2 + acceleration/energy drift too large 17.8295921026072 + 108.585055951917 split increased to 2 itime 271346 itsplit 1 - acceleration/energy drift too large 3.00966159611518 - 10.3512914539065 split increased to 2 itime 271983 + acceleration/energy drift too large 3.27001854066021 + 18.7976374164625 split increased to 2 itime 271863 itsplit 1 Momenta zeroed out, time 54399.80 Momenta zeroed out, time 54599.80 - acceleration/energy drift too large 9.06607105286273 - 39.1592891957629 split increased to 2 itime 273746 + acceleration/energy drift too large 4.41828164507288 + 10.0304483202405 split increased to 2 itime 273560 itsplit 1 Momenta zeroed out, time 54799.80 -Momenta zeroed out, time 54999.80 - acceleration/energy drift too large 18.1519661241740 - 113.165296276035 split increased to 2 itime 275229 + acceleration/energy drift too large 2.76533277881625 + 21.7744734329608 split increased to 2 itime 274047 itsplit 1 - acceleration/energy drift too large 4.40040142559595 - 26.7322465236266 split increased to 4 itime 275229 - itsplit 2 -Momenta zeroed out, time 55199.80 - acceleration/energy drift too large 8.11606703812327 - 33.2212962751965 split increased to 2 itime 276072 - itsplit 1 - acceleration/energy drift too large 5.28901564307014 - 24.1516985746739 split increased to 2 itime 276398 - itsplit 1 - acceleration/energy drift too large 3.73513241315570 - 14.2460821987511 split increased to 2 itime 276399 - itsplit 1 - acceleration/energy drift too large 5.40850407210099 - 14.8660738802476 split increased to 2 itime 276427 + acceleration/energy drift too large 5.70897827761867 + 22.8554415686488 split increased to 2 itime 274938 itsplit 1 - acceleration/energy drift too large 18.4347145986597 - 102.980300246050 split increased to 2 itime 276724 - itsplit 1 - acceleration/energy drift too large 3.35361246464254 - 14.4304677484857 split increased to 4 itime 276724 - itsplit 1 - acceleration/energy drift too large 5.16120378443078 - 26.0296501040856 split increased to 2 itime 276812 +Momenta zeroed out, time 54999.80 +Momenta zeroed out, time 55199.80 + acceleration/energy drift too large 1.89088808517281 + 13.4757628854642 split increased to 2 itime 276456 itsplit 1 Momenta zeroed out, time 55399.80 - acceleration/energy drift too large 4.86234596626045 - 20.8583313825614 split increased to 2 itime 277442 - itsplit 1 - acceleration/energy drift too large 9.36727512007120 - 41.5736990766541 split increased to 2 itime 277505 - itsplit 1 - acceleration/energy drift too large 2.60128226532555 - 12.2737731417995 split increased to 2 itime 277506 + acceleration/energy drift too large 3.34095722905015 + 10.3807272880101 split increased to 2 itime 277099 itsplit 1 - acceleration/energy drift too large 4.69784614028711 - 21.9216076388920 split increased to 2 itime 277587 + acceleration/energy drift too large 4.69303337518121 + 10.2911862648241 split increased to 2 itime 277195 itsplit 1 - acceleration/energy drift too large 7.32627067181505 - 23.8885581442666 split increased to 2 itime 277662 - itsplit 1 - acceleration/energy drift too large 9.17244438620854 - 28.5084306374755 split increased to 2 itime 277912 + acceleration/energy drift too large 3.34459934398251 + 10.2932116758044 split increased to 2 itime 277951 itsplit 1 Momenta zeroed out, time 55599.80 - acceleration/energy drift too large 2.24233607843981 - 10.4347812818288 split increased to 2 itime 278630 - itsplit 1 - acceleration/energy drift too large 7.13540664173053 - 54.8954392592607 split increased to 2 itime 278959 + acceleration/energy drift too large 5.12701135624617 + 10.7410513868695 split increased to 2 itime 278976 itsplit 1 Momenta zeroed out, time 55799.80 - acceleration/energy drift too large 5.30530173109037 - 13.7067834449363 split increased to 2 itime 279143 + acceleration/energy drift too large 3.32779921567734 + 10.6900741916690 split increased to 2 itime 279438 + itsplit 1 + acceleration/energy drift too large 6.43627871545841 + 20.9514168962984 split increased to 2 itime 279492 itsplit 1 Velocities reset to random values, time 55999.80 Momenta zeroed out, time 55999.80 - acceleration/energy drift too large 6.63747671910860 - 22.3360094382124 split increased to 2 itime 280168 - itsplit 1 - acceleration/energy drift too large 16.0530227629669 - 97.8862484641254 split increased to 2 itime 280649 - itsplit 1 - acceleration/energy drift too large 7.15468144761954 - 26.7927477198446 split increased to 2 itime 280716 + acceleration/energy drift too large 4.48900954147904 + 11.7954843707612 split increased to 2 itime 280379 itsplit 1 Momenta zeroed out, time 56199.80 Momenta zeroed out, time 56399.80 - acceleration/energy drift too large 12.2566964881871 - 43.6040802558903 split increased to 2 itime 282366 - itsplit 1 - acceleration/energy drift too large 2.92384109830386 - 10.0517106664660 split increased to 4 itime 282366 - itsplit 2 - acceleration/energy drift too large 9.06355316384848 - 35.2297473787432 split increased to 2 itime 282803 - itsplit 1 Momenta zeroed out, time 56599.80 - acceleration/energy drift too large 5.23415040891103 - 16.2864155683641 split increased to 2 itime 283247 + acceleration/energy drift too large 12.1695677803416 + 58.9358589249493 split increased to 2 itime 283749 itsplit 1 Momenta zeroed out, time 56799.80 + acceleration/energy drift too large 2.58232537691464 + 13.4149109217010 split increased to 2 itime 284783 + itsplit 1 + acceleration/energy drift too large 3.86611219095891 + 18.6281241532003 split increased to 2 itime 284879 + itsplit 1 Momenta zeroed out, time 56999.80 Momenta zeroed out, time 57199.80 - acceleration/energy drift too large 9.53577270297975 - 39.3587726047224 split increased to 2 itime 286784 + acceleration/energy drift too large 5.49173957536686 + 13.0415956720200 split increased to 2 itime 286581 itsplit 1 Momenta zeroed out, time 57399.80 + acceleration/energy drift too large 6.17783010875151 + 18.6618749400942 split increased to 2 itime 287150 + itsplit 1 Momenta zeroed out, time 57599.80 - acceleration/energy drift too large 4.12236739687388 - 17.3159806593038 split increased to 2 itime 288133 + acceleration/energy drift too large 10.8815916886870 + 59.5125912139641 split increased to 2 itime 288165 + itsplit 1 + acceleration/energy drift too large 7.97580314447536 + 31.4941602575556 split increased to 2 itime 288480 itsplit 1 Momenta zeroed out, time 57799.80 - acceleration/energy drift too large 6.40873899757364 - 13.1070496752011 split increased to 2 itime 289463 + acceleration/energy drift too large 10.1527341531551 + 80.4446070986756 split increased to 2 itime 289037 itsplit 1 - acceleration/energy drift too large 4.39382419474432 - 29.7220306362332 split increased to 2 itime 289824 + acceleration/energy drift too large 2.57319944434626 + 10.6309441034074 split increased to 2 itime 289082 itsplit 1 Velocities reset to random values, time 57999.80 Momenta zeroed out, time 57999.80 - acceleration/energy drift too large 3.75355365764702 - 18.0138458036282 split increased to 2 itime 290046 - itsplit 1 Momenta zeroed out, time 58199.80 -Momenta zeroed out, time 58399.80 - acceleration/energy drift too large 2.66281248210753 - 14.8390425387201 split increased to 2 itime 292309 - itsplit 1 - acceleration/energy drift too large 4.89118754002859 - 16.4935159562240 split increased to 2 itime 292866 + acceleration/energy drift too large 9.99705244446872 + 73.4767810226491 split increased to 2 itime 291065 itsplit 1 - acceleration/energy drift too large 6.28482035579830 - 12.8718747428621 split increased to 2 itime 292961 +Momenta zeroed out, time 58399.80 + acceleration/energy drift too large 3.76710666165849 + 10.7294399949727 split increased to 2 itime 292500 itsplit 1 Momenta zeroed out, time 58599.80 Momenta zeroed out, time 58799.80 - acceleration/energy drift too large 2.86411518543258 - 20.8883931666258 split increased to 2 itime 294292 +Momenta zeroed out, time 58999.80 + acceleration/energy drift too large 6.21582393175115 + 18.2958774776015 split increased to 2 itime 295156 itsplit 1 - acceleration/energy drift too large 8.26400981360099 - 34.4296277481981 split increased to 2 itime 294883 + acceleration/energy drift too large 4.48314465800857 + 15.5471546448289 split increased to 2 itime 295372 itsplit 1 -Momenta zeroed out, time 58999.80 - acceleration/energy drift too large 2.75872849291607 - 13.3573767776458 split increased to 2 itime 295973 + acceleration/energy drift too large 1.86345813281210 + 10.1190676817614 split increased to 4 itime 295372 itsplit 1 Momenta zeroed out, time 59199.80 - acceleration/energy drift too large 4.70152166886369 - 11.7830375697844 split increased to 2 itime 296008 - itsplit 1 Momenta zeroed out, time 59399.80 - acceleration/energy drift too large 6.78728682515732 - 19.3745417655508 split increased to 2 itime 297243 - itsplit 1 - acceleration/energy drift too large 6.29476169719787 - 27.4714639099444 split increased to 2 itime 297280 + acceleration/energy drift too large 2.13905679598263 + 10.1889136417004 split increased to 2 itime 297282 itsplit 1 - acceleration/energy drift too large 5.41149297430937 - 14.9338253035471 split increased to 2 itime 297927 + acceleration/energy drift too large 12.5579815643995 + 58.5881493025644 split increased to 2 itime 297346 itsplit 1 Momenta zeroed out, time 59599.80 - acceleration/energy drift too large 3.34408637381135 - 14.8560646066548 split increased to 2 itime 298717 - itsplit 1 Momenta zeroed out, time 59799.80 - acceleration/energy drift too large 8.06970214398576 - 29.3306516440024 split increased to 2 itime 299954 + acceleration/energy drift too large 4.25900002188328 + 12.1052419346052 split increased to 2 itime 299067 + itsplit 1 + acceleration/energy drift too large 2.43490187298914 + 15.7416179794030 split increased to 2 itime 299135 + itsplit 1 + acceleration/energy drift too large 2.84934903078356 + 20.0375919210518 split increased to 2 itime 299197 + itsplit 1 + acceleration/energy drift too large 2.79891456869912 + 10.9718599705350 split increased to 2 itime 299198 + itsplit 1 + acceleration/energy drift too large 5.00420292816969 + 15.0174663858063 split increased to 2 itime 299420 itsplit 1 Velocities reset to random values, time 59999.80 Momenta zeroed out, time 59999.80 - acceleration/energy drift too large 3.27945868870364 - 11.2678201686419 split increased to 2 itime 300022 - itsplit 1 Momenta zeroed out, time 60199.80 - acceleration/energy drift too large 3.95758683173641 - 15.7016603515050 split increased to 2 itime 301295 - itsplit 1 Momenta zeroed out, time 60399.80 - acceleration/energy drift too large 6.00190990152849 - 14.9682242176218 split increased to 2 itime 302708 - itsplit 1 Momenta zeroed out, time 60599.80 -Momenta zeroed out, time 60799.80 - acceleration/energy drift too large 2.96057568952393 - 10.3397591066601 split increased to 2 itime 304784 + acceleration/energy drift too large 5.43176607720243 + 15.3050804808989 split increased to 2 itime 303245 itsplit 1 +Momenta zeroed out, time 60799.80 Momenta zeroed out, time 60999.80 - acceleration/energy drift too large 5.99960314436292 - 13.6617239765240 split increased to 2 itime 305132 - itsplit 1 - acceleration/energy drift too large 3.58197790327440 - 10.0160056191271 split increased to 2 itime 305702 - itsplit 1 Momenta zeroed out, time 61199.80 - acceleration/energy drift too large 10.9550625803110 - 54.8685169212879 split increased to 2 itime 306029 + acceleration/energy drift too large 5.16558630936696 + 25.6989357562524 split increased to 2 itime 306010 itsplit 1 - acceleration/energy drift too large 6.60206596220393 - 18.5408331225737 split increased to 2 itime 306435 +Momenta zeroed out, time 61399.80 + acceleration/energy drift too large 6.79392022603988 + 14.4190425732055 split increased to 2 itime 307251 itsplit 1 - acceleration/energy drift too large 1.54895970067718 - 11.6962532582506 split increased to 2 itime 306805 + acceleration/energy drift too large 5.95080623056392 + 19.8818129421794 split increased to 2 itime 307335 itsplit 1 -Momenta zeroed out, time 61399.80 - acceleration/energy drift too large 5.38176325453924 - 25.7187519559874 split increased to 2 itime 307941 + acceleration/energy drift too large 2.61094869458762 + 10.7506919364871 split increased to 2 itime 307499 + itsplit 1 + acceleration/energy drift too large 6.15146033890428 + 17.3865195176019 split increased to 2 itime 307948 itsplit 1 Momenta zeroed out, time 61599.80 Momenta zeroed out, time 61799.80 + acceleration/energy drift too large 5.09573518484857 + 11.4000943130737 split increased to 2 itime 309354 + itsplit 1 + acceleration/energy drift too large 7.66529844078068 + 41.3475422899453 split increased to 2 itime 309635 + itsplit 1 Velocities reset to random values, time 61999.80 Momenta zeroed out, time 61999.80 - acceleration/energy drift too large 6.40004827296797 - 16.8942318246780 split increased to 2 itime 310850 - itsplit 1 Momenta zeroed out, time 62199.80 - acceleration/energy drift too large 3.88887185307799 - 19.6148525170778 split increased to 2 itime 311957 + acceleration/energy drift too large 4.20981329368477 + 20.3387420974864 split increased to 2 itime 311100 itsplit 1 -Momenta zeroed out, time 62399.80 - acceleration/energy drift too large 4.40255783626493 - 14.4128177770724 split increased to 2 itime 312439 + acceleration/energy drift too large 8.75940313120156 + 16.8803392563716 split increased to 2 itime 311176 itsplit 1 - acceleration/energy drift too large 6.01403006704522 - 19.9976106868488 split increased to 2 itime 312464 +Momenta zeroed out, time 62399.80 +Momenta zeroed out, time 62599.80 + acceleration/energy drift too large 3.90083084976967 + 10.3731757070515 split increased to 2 itime 313063 itsplit 1 - acceleration/energy drift too large 2.62391940930527 - 16.5873221685396 split increased to 2 itime 312892 + acceleration/energy drift too large 10.8398799659190 + 51.4454049001208 split increased to 2 itime 313757 itsplit 1 -Momenta zeroed out, time 62599.80 Momenta zeroed out, time 62799.80 -Momenta zeroed out, time 62999.80 - acceleration/energy drift too large 4.50975359285140 - 14.0077018713784 split increased to 2 itime 315144 + acceleration/energy drift too large 7.83901293376140 + 20.2165897570627 split increased to 2 itime 314302 + itsplit 1 + acceleration/energy drift too large 12.2137672446429 + 67.4039318735688 split increased to 2 itime 314427 itsplit 1 - acceleration/energy drift too large 4.36731360347123 - 10.4013676182418 split increased to 2 itime 315384 + acceleration/energy drift too large 4.06870474686627 + 11.7968996610524 split increased to 2 itime 314785 + itsplit 1 +Momenta zeroed out, time 62999.80 + acceleration/energy drift too large 5.78299570099871 + 12.8250815848128 split increased to 2 itime 315246 itsplit 1 - acceleration/energy drift too large 5.56184920140469 - 20.0077030063641 split increased to 2 itime 315816 + acceleration/energy drift too large 1.96373322005384 + 12.2863909251620 split increased to 2 itime 315247 itsplit 1 Momenta zeroed out, time 63199.80 Momenta zeroed out, time 63399.80 - acceleration/energy drift too large 5.16848624934941 - 20.0082236734576 split increased to 2 itime 317555 - itsplit 1 - acceleration/energy drift too large 3.47341292823193 - 11.6661046880905 split increased to 2 itime 317558 + acceleration/energy drift too large 3.29973654492684 + 25.8364896771513 split increased to 2 itime 317847 itsplit 1 Momenta zeroed out, time 63599.80 - acceleration/energy drift too large 5.53206844361132 - 18.2959813660198 split increased to 2 itime 318028 - itsplit 1 Momenta zeroed out, time 63799.80 - acceleration/energy drift too large 4.19586051420184 - 13.9426758830276 split increased to 2 itime 319075 + acceleration/energy drift too large 3.06492182501524 + 23.8730318299852 split increased to 2 itime 319153 itsplit 1 Velocities reset to random values, time 63999.80 Momenta zeroed out, time 63999.80 - acceleration/energy drift too large 5.77480172817548 - 20.7224207660353 split increased to 2 itime 320735 - itsplit 1 Momenta zeroed out, time 64199.80 -Momenta zeroed out, time 64399.80 - acceleration/energy drift too large 5.00654383518501 - 13.8245689580082 split increased to 2 itime 322249 + acceleration/energy drift too large 6.12423974029144 + 14.1197751272642 split increased to 2 itime 321193 itsplit 1 - acceleration/energy drift too large 6.50143266432474 - 28.3498157329327 split increased to 2 itime 322445 + acceleration/energy drift too large 3.69521286240056 + 22.2463096453069 split increased to 4 itime 321193 itsplit 1 -Momenta zeroed out, time 64599.80 - acceleration/energy drift too large 8.32088494109352 - 32.0296325442208 split increased to 2 itime 323204 + acceleration/energy drift too large 6.89821656096585 + 30.7335514304880 split increased to 2 itime 321386 + itsplit 1 +Momenta zeroed out, time 64399.80 + acceleration/energy drift too large 4.45365407107876 + 12.0833182016455 split increased to 2 itime 322252 itsplit 1 - acceleration/energy drift too large 5.88994168653283 - 23.0214829723725 split increased to 2 itime 323400 + acceleration/energy drift too large 9.73833544386348 + 44.0227218899194 split increased to 2 itime 322286 itsplit 1 +Momenta zeroed out, time 64599.80 Momenta zeroed out, time 64799.80 - acceleration/energy drift too large 5.14836443015490 - 11.0977223392860 split increased to 2 itime 324308 - itsplit 1 Momenta zeroed out, time 64999.80 - acceleration/energy drift too large 8.10853031908462 - 27.2160522194181 split increased to 2 itime 325085 - itsplit 1 Momenta zeroed out, time 65199.80 - acceleration/energy drift too large 5.77451893220160 - 18.4498389359430 split increased to 2 itime 326788 +Momenta zeroed out, time 65399.80 + acceleration/energy drift too large 7.97454952288756 + 31.1043317154157 split increased to 2 itime 327817 itsplit 1 - acceleration/energy drift too large 8.84142056209816 - 36.6509961128437 split increased to 2 itime 326985 + acceleration/energy drift too large 2.81013500108206 + 14.3966576482805 split increased to 4 itime 327817 + itsplit 1 + acceleration/energy drift too large 3.90212182853787 + 14.8140440796185 split increased to 2 itime 327918 + itsplit 1 + acceleration/energy drift too large 2.19337196092838 + 11.2931923866594 split increased to 2 itime 327987 itsplit 1 -Momenta zeroed out, time 65399.80 Momenta zeroed out, time 65599.80 -Momenta zeroed out, time 65799.80 - acceleration/energy drift too large 3.00446229200747 - 16.4334733745541 split increased to 2 itime 329981 + acceleration/energy drift too large 6.84548040206735 + 23.8590026364258 split increased to 2 itime 328795 itsplit 1 +Momenta zeroed out, time 65799.80 Velocities reset to random values, time 65999.80 Momenta zeroed out, time 65999.80 - acceleration/energy drift too large 6.09193782926205 - 42.8835256397320 split increased to 2 itime 330018 + acceleration/energy drift too large 7.70903410357728 + 15.5074863076357 split increased to 2 itime 330150 itsplit 1 Momenta zeroed out, time 66199.80 - acceleration/energy drift too large 4.17155162162922 - 20.1629548373493 split increased to 2 itime 331347 + acceleration/energy drift too large 5.46703616360382 + 14.1212945103421 split increased to 2 itime 331065 itsplit 1 -Momenta zeroed out, time 66399.80 - acceleration/energy drift too large 6.86632608441383 - 15.5259063352514 split increased to 2 itime 332316 + acceleration/energy drift too large 4.60698493099266 + 13.8445721348791 split increased to 2 itime 331248 itsplit 1 - acceleration/energy drift too large 8.39559969256802 - 34.8481230437925 split increased to 2 itime 332825 + acceleration/energy drift too large 6.79053356996361 + 18.8949353331170 split increased to 2 itime 331310 itsplit 1 +Momenta zeroed out, time 66399.80 Momenta zeroed out, time 66599.80 - acceleration/energy drift too large 3.88630037490524 - 10.9754801979186 split increased to 2 itime 333351 - itsplit 1 - acceleration/energy drift too large 4.82625736782658 - 16.9208445705929 split increased to 2 itime 333450 - itsplit 1 - acceleration/energy drift too large 5.19158879206778 - 12.6831938699289 split increased to 2 itime 333947 - itsplit 1 Momenta zeroed out, time 66799.80 - acceleration/energy drift too large 13.0953685956485 - 67.6433378023797 split increased to 2 itime 334725 + acceleration/energy drift too large 2.63854661943616 + 23.6670693729593 split increased to 2 itime 334204 itsplit 1 - acceleration/energy drift too large 3.35987673088464 - 18.5562765503125 split increased to 4 itime 334725 - itsplit 2 Momenta zeroed out, time 66999.80 - acceleration/energy drift too large 6.29134732492232 - 31.3315928628565 split increased to 2 itime 335973 + acceleration/energy drift too large 2.32714179751256 + 16.4226686503835 split increased to 2 itime 335088 itsplit 1 -Momenta zeroed out, time 67199.80 - acceleration/energy drift too large 3.14286363260923 - 12.9527571983636 split increased to 2 itime 336541 - itsplit 1 -Momenta zeroed out, time 67399.80 - acceleration/energy drift too large 4.72844080116563 - 15.6940894599008 split increased to 2 itime 337257 + acceleration/energy drift too large 2.89500957139561 + 12.4554140112722 split increased to 2 itime 335089 itsplit 1 - acceleration/energy drift too large 4.05820387661140 - 19.7778942863676 split increased to 2 itime 337633 + acceleration/energy drift too large 5.05464004908000 + 13.5065893606624 split increased to 2 itime 335482 itsplit 1 - acceleration/energy drift too large 2.42787267978862 - 11.6939521285642 split increased to 2 itime 337918 + acceleration/energy drift too large 5.49281856146252 + 25.9028385594170 split increased to 2 itime 335812 itsplit 1 +Momenta zeroed out, time 67199.80 +Momenta zeroed out, time 67399.80 Momenta zeroed out, time 67599.80 - acceleration/energy drift too large 11.0257114718057 - 39.5877748633559 split increased to 2 itime 338166 - itsplit 1 - acceleration/energy drift too large 3.02478534497516 - 12.8239477361485 split increased to 2 itime 338167 - itsplit 1 - acceleration/energy drift too large 13.2656431329604 - 64.6524714342451 split increased to 2 itime 338502 - itsplit 1 - acceleration/energy drift too large 6.98067756635593 - 26.1719335994581 split increased to 2 itime 338607 - itsplit 1 - acceleration/energy drift too large 13.2834632254253 - 87.1768691620908 split increased to 2 itime 338614 - itsplit 1 - acceleration/energy drift too large 8.61035537815938 - 15.8027976750506 split increased to 2 itime 338615 - itsplit 1 - acceleration/energy drift too large 9.84485336139049 - 31.5740622144232 split increased to 2 itime 338986 + acceleration/energy drift too large 3.37257947866544 + 24.3059329322775 split increased to 2 itime 338277 itsplit 1 Momenta zeroed out, time 67799.80 - acceleration/energy drift too large 6.49581426701066 - 17.6148976308864 split increased to 2 itime 339143 - itsplit 1 - acceleration/energy drift too large 3.79228080365657 - 11.4024272699692 split increased to 2 itime 339236 + acceleration/energy drift too large 5.80746306434905 + 22.2075864745904 split increased to 2 itime 339034 itsplit 1 - acceleration/energy drift too large 3.99484541281598 - 12.7614233198297 split increased to 2 itime 339653 + acceleration/energy drift too large 3.71160605697042 + 23.4802146413335 split increased to 2 itime 339737 itsplit 1 Velocities reset to random values, time 67999.80 Momenta zeroed out, time 67999.80 - acceleration/energy drift too large 13.2637883442313 - 75.5510637510855 split increased to 2 itime 340909 - itsplit 1 - acceleration/energy drift too large 2.74612565958384 - 16.0743615255336 split increased to 4 itime 340909 + acceleration/energy drift too large 6.84048812614564 + 34.5673545565964 split increased to 2 itime 340265 itsplit 1 Momenta zeroed out, time 68199.80 - acceleration/energy drift too large 5.62685133226073 - 10.5723564020620 split increased to 2 itime 341424 + acceleration/energy drift too large 6.39379739012425 + 18.7258914701875 split increased to 2 itime 341343 itsplit 1 - acceleration/energy drift too large 8.06907602256754 - 30.0286277152552 split increased to 2 itime 341649 - itsplit 1 - acceleration/energy drift too large 14.0749534605551 - 61.3377509048212 split increased to 2 itime 341920 - itsplit 1 - acceleration/energy drift too large 4.43563573736001 - 12.6799594801472 split increased to 2 itime 341981 + acceleration/energy drift too large 7.11054192934986 + 33.4287297604566 split increased to 2 itime 341675 itsplit 1 Momenta zeroed out, time 68399.80 - acceleration/energy drift too large 9.92996691586967 - 43.3443741334179 split increased to 2 itime 342762 - itsplit 1 - acceleration/energy drift too large 2.33257701569675 - 10.2692790500757 split increased to 4 itime 342762 - itsplit 2 - acceleration/energy drift too large 5.31754752231108 - 17.1112837014486 split increased to 2 itime 342780 - itsplit 1 - acceleration/energy drift too large 4.99999993532726 - 16.2869059307607 split increased to 2 itime 342840 + acceleration/energy drift too large 5.16367929051289 + 14.6394281376953 split increased to 2 itime 342704 itsplit 1 Momenta zeroed out, time 68599.80 - acceleration/energy drift too large 4.08851106968791 - 11.8056335649995 split increased to 2 itime 343468 - itsplit 1 Momenta zeroed out, time 68799.80 + acceleration/energy drift too large 5.94406800695046 + 12.0415551592624 split increased to 2 itime 344256 + itsplit 1 Momenta zeroed out, time 68999.80 - acceleration/energy drift too large 4.49864612532931 - 11.0888964226578 split increased to 2 itime 345121 + acceleration/energy drift too large 5.86580007611115 + 17.0918128305285 split increased to 2 itime 345158 itsplit 1 - acceleration/energy drift too large 6.89362503327041 - 20.3756079251639 split increased to 2 itime 345211 + acceleration/energy drift too large 3.00098758757718 + 11.3480465240627 split increased to 2 itime 345159 itsplit 1 - acceleration/energy drift too large 11.0905468437361 - 46.3646766787522 split increased to 2 itime 345379 + acceleration/energy drift too large 4.39433178156710 + 12.4122450503604 split increased to 2 itime 345937 itsplit 1 Momenta zeroed out, time 69199.80 - acceleration/energy drift too large 4.75363537234572 - 11.8003822450959 split increased to 2 itime 346656 + acceleration/energy drift too large 2.25369394556177 + 20.0219786966099 split increased to 2 itime 346638 + itsplit 1 + acceleration/energy drift too large 7.91210529933305 + 29.3147635108483 split increased to 2 itime 346833 + itsplit 1 + acceleration/energy drift too large 2.34333043031261 + 14.2837523415625 split increased to 2 itime 346834 itsplit 1 Momenta zeroed out, time 69399.80 - acceleration/energy drift too large 6.04037808837455 - 24.8735402114171 split increased to 2 itime 347417 + acceleration/energy drift too large 6.00554364716575 + 20.2914069693878 split increased to 2 itime 347817 + itsplit 1 + acceleration/energy drift too large 2.14457055930412 + 10.9826409212533 split increased to 2 itime 347818 itsplit 1 Momenta zeroed out, time 69599.80 - acceleration/energy drift too large 4.24736461994864 - 15.1331948061209 split increased to 2 itime 348309 + acceleration/energy drift too large 12.4472662745517 + 76.7514756913272 split increased to 2 itime 348089 + itsplit 1 + acceleration/energy drift too large 2.24660679979848 + 12.4311544849401 split increased to 2 itime 348090 + itsplit 1 + acceleration/energy drift too large 6.38817605415598 + 12.5139829779166 split increased to 2 itime 348315 + itsplit 1 + acceleration/energy drift too large 3.64305932801607 + 13.0019826929527 split increased to 2 itime 348508 itsplit 1 Momenta zeroed out, time 69799.80 + acceleration/energy drift too large 3.60039683760306 + 11.7095887073245 split increased to 2 itime 349213 + itsplit 1 Velocities reset to random values, time 69999.80 Momenta zeroed out, time 69999.80 + acceleration/energy drift too large 6.79190506460098 + 10.9969689015181 split increased to 2 itime 350362 + itsplit 1 Momenta zeroed out, time 70199.80 Momenta zeroed out, time 70399.80 - acceleration/energy drift too large 6.16893623843596 - 15.3530057360626 split increased to 2 itime 352902 + acceleration/energy drift too large 7.64359287603513 + 20.0346019631465 split increased to 2 itime 352526 itsplit 1 Momenta zeroed out, time 70599.80 - acceleration/energy drift too large 2.77206663223993 - 10.5187846993941 split increased to 2 itime 353225 - itsplit 1 - acceleration/energy drift too large 9.69073693936229 - 37.8676368080158 split increased to 2 itime 353263 - itsplit 1 - acceleration/energy drift too large 4.24911359372925 - 11.1579324182118 split increased to 2 itime 353345 - itsplit 1 - acceleration/energy drift too large 4.30676927438778 - 10.2325430008230 split increased to 2 itime 353679 - itsplit 1 Momenta zeroed out, time 70799.80 - acceleration/energy drift too large 3.07996521980640 - 17.1436893848373 split increased to 2 itime 354125 - itsplit 1 - acceleration/energy drift too large 4.58450602400666 - 10.1560334912204 split increased to 2 itime 354248 + acceleration/energy drift too large 4.97767466595058 + 21.8530787896704 split increased to 2 itime 354170 itsplit 1 - acceleration/energy drift too large 9.23088408807150 - 38.7020471863614 split increased to 2 itime 354942 + acceleration/energy drift too large 11.7856834622274 + 47.2558642044135 split increased to 2 itime 354677 itsplit 1 + acceleration/energy drift too large 2.89541519981418 + 12.2177989239948 split increased to 4 itime 354677 + itsplit 2 Momenta zeroed out, time 70999.80 - acceleration/energy drift too large 4.97027122616995 - 11.2490644069333 split increased to 2 itime 355249 + acceleration/energy drift too large 7.14870146128285 + 16.5207019125124 split increased to 2 itime 355582 itsplit 1 - acceleration/energy drift too large 2.83753899938297 - 15.0549152714894 split increased to 2 itime 355820 + acceleration/energy drift too large 2.64235720249103 + 14.0831724353358 split increased to 2 itime 355750 itsplit 1 Momenta zeroed out, time 71199.80 - acceleration/energy drift too large 5.84437466245516 - 26.5574654447749 split increased to 2 itime 356200 - itsplit 1 - acceleration/energy drift too large 10.7965131150111 - 52.5043095149675 split increased to 2 itime 356390 + acceleration/energy drift too large 10.2196752128496 + 43.1089665665402 split increased to 2 itime 356213 itsplit 1 - acceleration/energy drift too large 1.91200432816810 - 12.9116731619182 split increased to 2 itime 356774 + acceleration/energy drift too large 2.29974604035785 + 15.8583388583144 split increased to 2 itime 356649 itsplit 1 Momenta zeroed out, time 71399.80 - acceleration/energy drift too large 12.6209249731277 - 65.0938625923920 split increased to 2 itime 357413 + acceleration/energy drift too large 5.73470341020015 + 13.9785399944819 split increased to 2 itime 357698 + itsplit 1 + acceleration/energy drift too large 2.21679884802274 + 10.0392445489966 split increased to 2 itime 357975 itsplit 1 Momenta zeroed out, time 71599.80 + acceleration/energy drift too large 7.81019542276222 + 36.5124595777618 split increased to 2 itime 358137 + itsplit 1 Momenta zeroed out, time 71799.80 - acceleration/energy drift too large 7.01806716770282 - 14.6871315374147 split increased to 2 itime 359811 + acceleration/energy drift too large 6.76400097291832 + 26.8692738715252 split increased to 2 itime 359227 + itsplit 1 + acceleration/energy drift too large 3.65149585979581 + 14.1442781622043 split increased to 2 itime 359274 itsplit 1 Velocities reset to random values, time 71999.80 Momenta zeroed out, time 71999.80 + acceleration/energy drift too large 5.61305847997512 + 35.8973422153757 split increased to 2 itime 360108 + itsplit 1 + acceleration/energy drift too large 3.84986255182289 + 12.2841296303327 split increased to 2 itime 360353 + itsplit 1 Momenta zeroed out, time 72199.80 - acceleration/energy drift too large 4.30426460487960 - 12.7885345539138 split increased to 2 itime 361787 + acceleration/energy drift too large 1.81882184235012 + 13.8754300836633 split increased to 2 itime 361348 itsplit 1 Momenta zeroed out, time 72399.80 - acceleration/energy drift too large 6.38618170394330 - 20.2657506044757 split increased to 2 itime 362623 - itsplit 1 Momenta zeroed out, time 72599.80 - acceleration/energy drift too large 3.59571368012348 - 11.4375701206336 split increased to 2 itime 363952 + acceleration/energy drift too large 5.22033826522415 + 17.4017004545331 split increased to 2 itime 363804 itsplit 1 Momenta zeroed out, time 72799.80 - acceleration/energy drift too large 5.63066211185046 - 16.0270893029890 split increased to 2 itime 364000 + acceleration/energy drift too large 3.51331651084790 + 24.3371255907407 split increased to 2 itime 364220 itsplit 1 Momenta zeroed out, time 72999.80 Momenta zeroed out, time 73199.80 - acceleration/energy drift too large 7.93857705147201 - 31.1797144801329 split increased to 2 itime 366627 - itsplit 1 -Momenta zeroed out, time 73399.80 - acceleration/energy drift too large 5.02862521297261 - 22.5955117178581 split increased to 2 itime 367259 + acceleration/energy drift too large 3.66427548719760 + 17.0139454670400 split increased to 2 itime 366895 itsplit 1 - acceleration/energy drift too large 5.46574541429815 - 27.2717996216730 split increased to 2 itime 367323 + acceleration/energy drift too large 4.54428361229470 + 17.8662174139784 split increased to 2 itime 366994 itsplit 1 - acceleration/energy drift too large 5.78817882033061 - 14.1373615909810 split increased to 2 itime 367449 - itsplit 1 - acceleration/energy drift too large 1.52535942484601 - 12.4064096300996 split increased to 2 itime 367753 +Momenta zeroed out, time 73399.80 + acceleration/energy drift too large 5.20433261150434 + 20.4018356410680 split increased to 2 itime 367541 itsplit 1 Momenta zeroed out, time 73599.80 - acceleration/energy drift too large 6.83520518455295 - 55.6606064341341 split increased to 2 itime 368409 + acceleration/energy drift too large 8.66040403757713 + 41.8088460750067 split increased to 2 itime 368008 itsplit 1 -Momenta zeroed out, time 73799.80 - acceleration/energy drift too large 2.72632848526691 - 17.5586636374023 split increased to 2 itime 369128 + acceleration/energy drift too large 2.41833707652092 + 12.6948170678549 split increased to 4 itime 368008 itsplit 1 - acceleration/energy drift too large 8.26132700779172 - 35.4033315942307 split increased to 2 itime 369658 + acceleration/energy drift too large 5.30246547780122 + 22.9888748007261 split increased to 2 itime 368452 itsplit 1 +Momenta zeroed out, time 73799.80 Velocities reset to random values, time 73999.80 Momenta zeroed out, time 73999.80 - acceleration/energy drift too large 3.26755593799290 - 12.2330136539500 split increased to 2 itime 370522 - itsplit 1 Momenta zeroed out, time 74199.80 - acceleration/energy drift too large 4.20918378170548 - 20.2484063972128 split increased to 2 itime 371682 + acceleration/energy drift too large 3.63257336475629 + 32.5512285070086 split increased to 2 itime 371231 itsplit 1 Momenta zeroed out, time 74399.80 - acceleration/energy drift too large 6.25599057790776 - 20.3701702994107 split increased to 2 itime 372011 - itsplit 1 - acceleration/energy drift too large 5.17609803871788 - 37.3365291678839 split increased to 2 itime 372301 + acceleration/energy drift too large 5.19911866898534 + 12.0522567298691 split increased to 2 itime 372866 itsplit 1 Momenta zeroed out, time 74599.80 - acceleration/energy drift too large 2.18625044502824 - 12.4979598527361 split increased to 2 itime 373196 + acceleration/energy drift too large 4.38615681785092 + 12.7089323117541 split increased to 2 itime 373035 itsplit 1 - acceleration/energy drift too large 6.99087927422722 - 17.7573537873332 split increased to 2 itime 373824 + acceleration/energy drift too large 5.29345189963228 + 16.1897251890895 split increased to 2 itime 373212 itsplit 1 Momenta zeroed out, time 74799.80 - acceleration/energy drift too large 5.98562673072320 - 12.9464766155225 split increased to 2 itime 374248 + acceleration/energy drift too large 3.64205555184608 + 11.9318464053084 split increased to 2 itime 374651 itsplit 1 - acceleration/energy drift too large 5.16456929919195 - 29.7320744596656 split increased to 2 itime 374984 + acceleration/energy drift too large 6.98302730089836 + 17.7375933590414 split increased to 2 itime 374935 itsplit 1 Momenta zeroed out, time 74999.80 - acceleration/energy drift too large 5.38264884643003 - 15.4922846984308 split increased to 2 itime 375826 + acceleration/energy drift too large 16.3094944973026 + 86.3304212785810 split increased to 2 itime 375391 itsplit 1 Momenta zeroed out, time 75199.80 - acceleration/energy drift too large 2.95837879975651 - 23.6879832385470 split increased to 2 itime 376870 - itsplit 1 - acceleration/energy drift too large 6.52290332663009 - 14.3256973745173 split increased to 2 itime 376894 - itsplit 1 Momenta zeroed out, time 75399.80 - acceleration/energy drift too large 2.59548376431496 - 14.7651911623467 split increased to 2 itime 377340 - itsplit 1 - acceleration/energy drift too large 4.86920191790952 - 10.8136904990774 split increased to 2 itime 377790 - itsplit 1 Momenta zeroed out, time 75599.80 -Momenta zeroed out, time 75799.80 -Velocities reset to random values, time 75999.80 -Momenta zeroed out, time 75999.80 - acceleration/energy drift too large 4.31755369516315 - 13.0597665459746 split increased to 2 itime 380070 + acceleration/energy drift too large 6.48278516603808 + 18.9685214603649 split increased to 2 itime 378301 itsplit 1 -Momenta zeroed out, time 76199.80 - acceleration/energy drift too large 7.10011989860080 - 17.9643409029004 split increased to 2 itime 381429 +Momenta zeroed out, time 75799.80 + acceleration/energy drift too large 5.41085317304167 + 20.3638605895743 split increased to 2 itime 379033 itsplit 1 - acceleration/energy drift too large 5.18456272243569 - 24.7944213868117 split increased to 2 itime 381975 + acceleration/energy drift too large 3.66726927200038 + 20.9530717742614 split increased to 2 itime 379189 itsplit 1 -Momenta zeroed out, time 76399.80 - acceleration/energy drift too large 3.84713285550708 - 21.6797956719237 split increased to 2 itime 382068 + acceleration/energy drift too large 5.24434391569628 + 11.0076474487475 split increased to 2 itime 379433 itsplit 1 - acceleration/energy drift too large 4.75915444243683 - 21.1436438334112 split increased to 2 itime 382210 + acceleration/energy drift too large 4.16281514683132 + 10.5520327769256 split increased to 2 itime 379654 itsplit 1 - acceleration/energy drift too large 6.95913696288498 - 31.7203869502353 split increased to 2 itime 382955 + acceleration/energy drift too large 3.94437606892612 + 10.1836580604737 split increased to 2 itime 379881 itsplit 1 +Velocities reset to random values, time 75999.80 +Momenta zeroed out, time 75999.80 +Momenta zeroed out, time 76199.80 +Momenta zeroed out, time 76399.80 Momenta zeroed out, time 76599.80 - acceleration/energy drift too large 9.04328294950281 - 32.7224984086004 split increased to 2 itime 383508 - itsplit 1 - acceleration/energy drift too large 13.7088270829648 - 83.6836422604110 split increased to 2 itime 383654 - itsplit 1 - acceleration/energy drift too large 3.87034025383081 - 10.9198549787171 split increased to 2 itime 383807 - itsplit 1 - acceleration/energy drift too large 3.07943846131254 - 13.3122381822469 split increased to 2 itime 383808 - itsplit 1 Momenta zeroed out, time 76799.80 + acceleration/energy drift too large 4.16939967226553 + 11.5460441618269 split increased to 2 itime 384732 + itsplit 1 Momenta zeroed out, time 76999.80 Momenta zeroed out, time 77199.80 - acceleration/energy drift too large 2.05905313759108 - 15.6638235166501 split increased to 2 itime 386304 - itsplit 1 - acceleration/energy drift too large 7.53757417015409 - 31.4476564908109 split increased to 2 itime 386318 - itsplit 1 - acceleration/energy drift too large 4.93471794139565 - 31.9779294619814 split increased to 2 itime 386611 - itsplit 1 Momenta zeroed out, time 77399.80 - acceleration/energy drift too large 4.64876691631145 - 10.6789558498093 split increased to 2 itime 387023 - itsplit 1 - acceleration/energy drift too large 5.76761829596815 - 14.1789304011111 split increased to 2 itime 387101 - itsplit 1 Momenta zeroed out, time 77599.80 - acceleration/energy drift too large 4.98592342016687 - 10.0475455938022 split increased to 2 itime 388868 - itsplit 1 Momenta zeroed out, time 77799.80 - acceleration/energy drift too large 4.93903466676892 - 23.9743929275514 split increased to 2 itime 389065 - itsplit 1 Velocities reset to random values, time 77999.80 Momenta zeroed out, time 77999.80 -Momenta zeroed out, time 78199.80 - acceleration/energy drift too large 5.44229053045163 - 14.5107640959053 split increased to 2 itime 391393 - itsplit 1 - acceleration/energy drift too large 5.42735939943281 - 10.5789549596820 split increased to 2 itime 391473 - itsplit 1 - acceleration/energy drift too large 6.47313287318499 - 42.6647811526716 split increased to 2 itime 391806 + acceleration/energy drift too large 5.69719051609627 + 22.5893860561898 split increased to 2 itime 390898 itsplit 1 - acceleration/energy drift too large 6.66779023074021 - 26.3318225180366 split increased to 2 itime 391941 +Momenta zeroed out, time 78199.80 + acceleration/energy drift too large 3.98578139068124 + 16.1788607865418 split increased to 2 itime 391172 itsplit 1 Momenta zeroed out, time 78399.80 - acceleration/energy drift too large 3.40225631602981 - 10.8211254731371 split increased to 2 itime 392391 - itsplit 1 -Momenta zeroed out, time 78599.80 - acceleration/energy drift too large 11.4210027532470 - 57.4746505029143 split increased to 2 itime 393114 + acceleration/energy drift too large 6.40833446448973 + 21.8033301557479 split increased to 2 itime 392436 itsplit 1 - acceleration/energy drift too large 2.77403402159842 - 13.6074207034544 split increased to 4 itime 393114 - itsplit 2 - acceleration/energy drift too large 7.87760600372223 - 19.6044698568222 split increased to 2 itime 393514 + acceleration/energy drift too large 5.93661716534281 + 18.0492401437054 split increased to 2 itime 392734 itsplit 1 - acceleration/energy drift too large 3.43221594204418 - 11.3197045907774 split increased to 2 itime 393542 +Momenta zeroed out, time 78599.80 + acceleration/energy drift too large 5.80572326347187 + 16.3444372914119 split increased to 2 itime 393047 itsplit 1 Momenta zeroed out, time 78799.80 - acceleration/energy drift too large 6.64391993113304 - 17.3480277934781 split increased to 2 itime 394589 + acceleration/energy drift too large 5.65913855967934 + 16.1609465400634 split increased to 2 itime 394615 itsplit 1 Momenta zeroed out, time 78999.80 -Momenta zeroed out, time 79199.80 - acceleration/energy drift too large 5.27266841712539 - 14.8889105204268 split increased to 2 itime 396114 - itsplit 1 - acceleration/energy drift too large 5.55101401767900 - 35.2360817186840 split increased to 2 itime 396359 + acceleration/energy drift too large 4.94111040606446 + 15.8563719172780 split increased to 2 itime 395311 itsplit 1 - acceleration/energy drift too large 2.68412320723017 - 10.8805381888124 split increased to 2 itime 396364 - itsplit 1 - acceleration/energy drift too large 3.77167835906993 - 13.6063352125000 split increased to 2 itime 396656 +Momenta zeroed out, time 79199.80 + acceleration/energy drift too large 2.57430033915009 + 13.1618106048591 split increased to 2 itime 396859 itsplit 1 Momenta zeroed out, time 79399.80 -Momenta zeroed out, time 79599.80 - acceleration/energy drift too large 4.27972487901560 - 18.8547264978039 split increased to 2 itime 398797 + acceleration/energy drift too large 2.06107660289183 + 11.6596482497800 split increased to 2 itime 397226 itsplit 1 -Momenta zeroed out, time 79799.80 - acceleration/energy drift too large 4.48846094810141 - 12.0296920041000 split increased to 2 itime 399210 - itsplit 1 - acceleration/energy drift too large 3.53383979151898 - 10.1551203533845 split increased to 2 itime 399603 - itsplit 1 - acceleration/energy drift too large 5.10415548914768 - 10.9976764388328 split increased to 2 itime 399612 +Momenta zeroed out, time 79599.80 + acceleration/energy drift too large 7.78508907593011 + 29.3887066928063 split increased to 2 itime 398126 itsplit 1 - acceleration/energy drift too large 5.26892533575121 - 20.3313585543470 split increased to 2 itime 399951 + acceleration/energy drift too large 7.38554431414561 + 14.8578078261938 split increased to 2 itime 398553 itsplit 1 - acceleration/energy drift too large 2.35454190961130 - 10.2030118226014 split increased to 2 itime 399952 + acceleration/energy drift too large 2.74128995296725 + 11.9647930096981 split increased to 2 itime 398976 itsplit 1 +Momenta zeroed out, time 79799.80 Velocities reset to random values, time 79999.80 Momenta zeroed out, time 79999.80 - acceleration/energy drift too large 6.81871739975792 - 20.2001864179301 split increased to 2 itime 400373 - itsplit 1 Momenta zeroed out, time 80199.80 - acceleration/energy drift too large 2.20853751528642 - 15.4192186919929 split increased to 2 itime 401006 - itsplit 1 - acceleration/energy drift too large 4.55711702055688 - 12.6148190313579 split increased to 2 itime 401902 - itsplit 1 Momenta zeroed out, time 80399.80 - acceleration/energy drift too large 2.68255035042860 - 12.6468377625698 split increased to 2 itime 402842 - itsplit 1 Momenta zeroed out, time 80599.80 - acceleration/energy drift too large 5.89153778891290 - 11.1075672769293 split increased to 2 itime 403475 - itsplit 1 - acceleration/energy drift too large 5.08225321490442 - 24.1075596141293 split increased to 2 itime 403598 + acceleration/energy drift too large 9.95305359058633 + 46.8316245129329 split increased to 2 itime 403042 itsplit 1 - acceleration/energy drift too large 2.27600463830744 - 10.7129398690600 split increased to 2 itime 403600 + acceleration/energy drift too large 5.23163424126747 + 15.5884815009333 split increased to 2 itime 403371 itsplit 1 Momenta zeroed out, time 80799.80 -Momenta zeroed out, time 80999.80 - acceleration/energy drift too large 3.48748619691541 - 14.2782498620853 split increased to 2 itime 405407 + acceleration/energy drift too large 2.68662256028147 + 17.0890635474615 split increased to 2 itime 404768 itsplit 1 +Momenta zeroed out, time 80999.80 Momenta zeroed out, time 81199.80 -Momenta zeroed out, time 81399.80 - acceleration/energy drift too large 4.13832563717599 - 10.7759558571804 split increased to 2 itime 407186 - itsplit 1 -Momenta zeroed out, time 81599.80 - acceleration/energy drift too large 4.87032479068390 - 13.3177897086731 split increased to 2 itime 408001 + acceleration/energy drift too large 4.98741744492725 + 20.0083573629806 split increased to 2 itime 406866 itsplit 1 - acceleration/energy drift too large 2.97910859722397 - 11.9915168923180 split increased to 2 itime 408546 +Momenta zeroed out, time 81399.80 + acceleration/energy drift too large 4.72381229064199 + 26.8246509943255 split increased to 2 itime 407099 itsplit 1 -Momenta zeroed out, time 81799.80 - acceleration/energy drift too large 4.55251416204818 - 12.6501976247419 split increased to 2 itime 409291 + acceleration/energy drift too large 6.89026189109768 + 16.7476326636237 split increased to 2 itime 407380 itsplit 1 - acceleration/energy drift too large 2.74572763765680 - 18.8452709748802 split increased to 2 itime 409565 + acceleration/energy drift too large 3.68769433970086 + 14.6976483521614 split increased to 2 itime 407540 itsplit 1 - acceleration/energy drift too large 3.09321648417402 - 10.1341042649758 split increased to 2 itime 409710 + acceleration/energy drift too large 4.64609380969792 + 24.0602823830925 split increased to 2 itime 407588 itsplit 1 - acceleration/energy drift too large 2.77407394468537 - 10.6375556290219 split increased to 2 itime 409785 + acceleration/energy drift too large 6.22346806258235 + 18.2999849923193 split increased to 2 itime 407604 itsplit 1 - acceleration/energy drift too large 6.78288559804344 - 26.7133741299618 split increased to 2 itime 409834 +Momenta zeroed out, time 81599.80 + acceleration/energy drift too large 3.40092787057062 + 30.2140097201860 split increased to 2 itime 408532 itsplit 1 +Momenta zeroed out, time 81799.80 Velocities reset to random values, time 81999.80 Momenta zeroed out, time 81999.80 - acceleration/energy drift too large 2.66350500347087 - 10.0164967693334 split increased to 2 itime 410344 - itsplit 1 -Momenta zeroed out, time 82199.80 - acceleration/energy drift too large 4.72237221523630 - 24.6830108397277 split increased to 2 itime 411419 + acceleration/energy drift too large 4.82736102789456 + 11.7815547089538 split increased to 2 itime 410249 itsplit 1 - acceleration/energy drift too large 4.19371767320089 - 13.0158368733324 split increased to 2 itime 411806 + acceleration/energy drift too large 4.38091364393367 + 10.4806669098163 split increased to 2 itime 410456 itsplit 1 +Momenta zeroed out, time 82199.80 Momenta zeroed out, time 82399.80 - acceleration/energy drift too large 13.7043345694570 - 81.8977583926492 split increased to 2 itime 412647 + acceleration/energy drift too large 4.44802722640681 + 11.8552566054731 split increased to 2 itime 412690 + itsplit 1 + acceleration/energy drift too large 3.85432681441271 + 34.1640076190792 split increased to 2 itime 412707 itsplit 1 Momenta zeroed out, time 82599.80 + acceleration/energy drift too large 6.58207537438981 + 16.3233196846141 split increased to 2 itime 413260 + itsplit 1 Momenta zeroed out, time 82799.80 - acceleration/energy drift too large 4.92082025443610 - 15.0134737073112 split increased to 2 itime 414105 + acceleration/energy drift too large 3.00157815253919 + 20.9812834018594 split increased to 2 itime 414640 itsplit 1 - acceleration/energy drift too large 9.17163354423360 - 37.3140103211906 split increased to 2 itime 414397 + acceleration/energy drift too large 6.54419734526309 + 19.1526792407930 split increased to 2 itime 414740 itsplit 1 -Momenta zeroed out, time 82999.80 - acceleration/energy drift too large 5.96640462555921 - 26.0558229071155 split increased to 2 itime 415930 + acceleration/energy drift too large 8.71451339637415 + 15.3804189191920 split increased to 2 itime 414741 itsplit 1 -Momenta zeroed out, time 83199.80 - acceleration/energy drift too large 7.18981226880195 - 22.5474330023564 split increased to 2 itime 416095 +Momenta zeroed out, time 82999.80 + acceleration/energy drift too large 1.82954613370378 + 10.8590977526859 split increased to 2 itime 415239 itsplit 1 - acceleration/energy drift too large 5.16318858192491 - 17.4085524181347 split increased to 2 itime 416271 + acceleration/energy drift too large 6.73977937328647 + 28.4230689723318 split increased to 2 itime 415841 itsplit 1 +Momenta zeroed out, time 83199.80 Momenta zeroed out, time 83399.80 - acceleration/energy drift too large 7.40718871269299 - 30.9205654344190 split increased to 2 itime 417124 - itsplit 1 - acceleration/energy drift too large 11.5157056298559 - 60.3921562149119 split increased to 2 itime 417186 - itsplit 1 - acceleration/energy drift too large 7.74271769522388 - 24.9732157508408 split increased to 2 itime 417452 - itsplit 1 - acceleration/energy drift too large 0.388378558383072 - 10.8481418219641 split increased to 2 itime 417453 - itsplit 1 Momenta zeroed out, time 83599.80 - acceleration/energy drift too large 6.21942754716074 - 26.2542183408367 split increased to 2 itime 418063 + acceleration/energy drift too large 15.7018442008158 + 109.340066235172 split increased to 2 itime 418170 itsplit 1 - acceleration/energy drift too large 6.70822518764554 - 31.9578975986386 split increased to 2 itime 418978 + acceleration/energy drift too large 3.60262667790545 + 23.8154814351442 split increased to 4 itime 418170 + itsplit 2 + acceleration/energy drift too large 3.64383588017001 + 11.7591207810332 split increased to 2 itime 418984 itsplit 1 Momenta zeroed out, time 83799.80 - acceleration/energy drift too large 5.32040697473667 - 30.0826534506163 split increased to 2 itime 419141 - itsplit 1 - acceleration/energy drift too large 5.87256590701524 - 12.0444585102366 split increased to 2 itime 419740 - itsplit 1 Velocities reset to random values, time 83999.80 Momenta zeroed out, time 83999.80 - acceleration/energy drift too large 4.23140020860832 - 18.7530109735605 split increased to 2 itime 420311 - itsplit 1 Momenta zeroed out, time 84199.80 - acceleration/energy drift too large 9.53806263464960 - 38.7572105923119 split increased to 2 itime 421041 - itsplit 1 - acceleration/energy drift too large 3.16886567615180 - 16.2536511214724 split increased to 2 itime 421231 + acceleration/energy drift too large 3.89171552574295 + 16.9109267762459 split increased to 2 itime 421675 itsplit 1 - acceleration/energy drift too large 4.43452282381531 - 19.9976465821876 split increased to 2 itime 421337 + acceleration/energy drift too large 2.21778465157790 + 12.4264259438132 split increased to 2 itime 421938 itsplit 1 Momenta zeroed out, time 84399.80 -Momenta zeroed out, time 84599.80 - acceleration/energy drift too large 6.61804888478006 - 16.6282682302955 split increased to 2 itime 423302 + acceleration/energy drift too large 5.25850321393135 + 18.3082375298513 split increased to 2 itime 422330 itsplit 1 - acceleration/energy drift too large 5.28482258614105 - 16.5583084558019 split increased to 2 itime 423445 + acceleration/energy drift too large 4.26160688394471 + 13.1908868463807 split increased to 2 itime 422685 itsplit 1 - acceleration/energy drift too large 5.85085576717422 - 15.4401978582753 split increased to 2 itime 423553 +Momenta zeroed out, time 84599.80 + acceleration/energy drift too large 14.3444792358342 + 71.8857135141046 split increased to 2 itime 423125 itsplit 1 + acceleration/energy drift too large 3.20505178393340 + 15.4358465487284 split increased to 4 itime 423125 + itsplit 2 Momenta zeroed out, time 84799.80 - acceleration/energy drift too large 2.21516062410301 - 11.3970404576827 split increased to 2 itime 424468 - itsplit 1 - acceleration/energy drift too large 4.01426225930951 - 12.5720402889446 split increased to 2 itime 424872 + acceleration/energy drift too large 8.54957955547364 + 40.5188416931531 split increased to 2 itime 424788 itsplit 1 Momenta zeroed out, time 84999.80 - acceleration/energy drift too large 5.93116666913470 - 34.6278686987444 split increased to 2 itime 425529 + acceleration/energy drift too large 5.83861648464416 + 21.9369654054072 split increased to 2 itime 425350 + itsplit 1 + acceleration/energy drift too large 13.8758866770833 + 87.6895946153356 split increased to 2 itime 425531 itsplit 1 + acceleration/energy drift too large 3.01801414596602 + 17.6908592882928 split increased to 4 itime 425531 + itsplit 2 Momenta zeroed out, time 85199.80 - acceleration/energy drift too large 2.64355133621405 - 13.6378102440109 split increased to 2 itime 426713 + acceleration/energy drift too large 12.1262630551330 + 43.2913343558836 split increased to 2 itime 426798 + itsplit 1 + acceleration/energy drift too large 2.94371342873531 + 11.3566733953022 split increased to 4 itime 426798 + itsplit 2 + acceleration/energy drift too large 6.33475118418354 + 34.5391398742561 split increased to 2 itime 426854 + itsplit 1 + acceleration/energy drift too large 3.04240105538885 + 34.6067945982845 split increased to 2 itime 426855 itsplit 1 Momenta zeroed out, time 85399.80 + acceleration/energy drift too large 4.76248665410014 + 10.7729748836129 split increased to 2 itime 427358 + itsplit 1 Momenta zeroed out, time 85599.80 - acceleration/energy drift too large 4.06950124257089 - 10.0795860479406 split increased to 2 itime 428364 + acceleration/energy drift too large 4.14174201031232 + 11.5623547841668 split increased to 2 itime 428255 itsplit 1 - acceleration/energy drift too large 8.00940529785577 - 23.4164635765157 split increased to 2 itime 428836 + acceleration/energy drift too large 3.62112061798623 + 10.4072594699595 split increased to 2 itime 428548 itsplit 1 - acceleration/energy drift too large 4.45406222097278 - 20.4471206398783 split increased to 2 itime 428952 + acceleration/energy drift too large 10.1930042676172 + 67.1729616788602 split increased to 2 itime 428806 itsplit 1 + acceleration/energy drift too large 1.97462741658148 + 10.5955839490169 split increased to 4 itime 428806 + itsplit 2 Momenta zeroed out, time 85799.80 - acceleration/energy drift too large 10.6124167846463 - 49.1660554716766 split increased to 2 itime 429929 + acceleration/energy drift too large 7.62891244215093 + 23.9129960577494 split increased to 2 itime 429892 itsplit 1 Velocities reset to random values, time 85999.80 Momenta zeroed out, time 85999.80 Momenta zeroed out, time 86199.80 - acceleration/energy drift too large 5.33320650837189 - 11.9713997444453 split increased to 2 itime 431412 + acceleration/energy drift too large 2.05127849165670 + 14.4355827624200 split increased to 2 itime 431263 itsplit 1 - acceleration/energy drift too large 6.74174102272201 - 14.4118307853426 split increased to 2 itime 431602 + acceleration/energy drift too large 15.1004132112352 + 103.179411469241 split increased to 2 itime 431749 itsplit 1 Momenta zeroed out, time 86399.80 - acceleration/energy drift too large 7.03772619071516 - 28.4444057902948 split increased to 2 itime 432129 + acceleration/energy drift too large 16.6387110655311 + 91.1314434957760 split increased to 2 itime 432095 itsplit 1 - acceleration/energy drift too large 4.55448190090296 - 17.9961111966829 split increased to 2 itime 432213 + acceleration/energy drift too large 6.49923405478109 + 15.2057528817591 split increased to 2 itime 432291 itsplit 1 - acceleration/energy drift too large 2.45083573399492 - 13.4278169977235 split increased to 2 itime 432243 + acceleration/energy drift too large 9.81847348624873 + 48.4026070779028 split increased to 2 itime 432543 itsplit 1 - acceleration/energy drift too large 3.93364895310265 - 17.5427853202592 split increased to 2 itime 432317 + acceleration/energy drift too large 4.31891497890845 + 24.8259228927141 split increased to 2 itime 432544 itsplit 1 - acceleration/energy drift too large 5.67058268682041 - 25.0511985899085 split increased to 2 itime 432463 +Momenta zeroed out, time 86599.80 + acceleration/energy drift too large 2.81793122943803 + 14.1954230650798 split increased to 2 itime 433071 itsplit 1 - acceleration/energy drift too large 9.99333458726997 - 43.1269202244239 split increased to 2 itime 432508 + acceleration/energy drift too large 3.70763122743886 + 14.8592175834446 split increased to 2 itime 433111 itsplit 1 - acceleration/energy drift too large 4.36788924370505 - 13.4151507317081 split increased to 2 itime 432565 + acceleration/energy drift too large 2.61152336604926 + 11.0281164737941 split increased to 2 itime 433124 itsplit 1 - acceleration/energy drift too large 1.40855088193498 - 13.3541233207257 split increased to 2 itime 432998 + acceleration/energy drift too large 2.76645912352376 + 11.0283229641041 split increased to 2 itime 433189 itsplit 1 -Momenta zeroed out, time 86599.80 - acceleration/energy drift too large 2.97925039476207 - 21.5875659461037 split increased to 2 itime 433156 + acceleration/energy drift too large 5.54050901132687 + 24.5787528679914 split increased to 2 itime 433285 + itsplit 1 + acceleration/energy drift too large 2.59790542458519 + 10.9951967853846 split increased to 2 itime 433286 + itsplit 1 + acceleration/energy drift too large 3.57942540651812 + 10.1541263314957 split increased to 2 itime 433291 + itsplit 1 + acceleration/energy drift too large 5.69229634971749 + 10.6404090090363 split increased to 2 itime 433362 + itsplit 1 + acceleration/energy drift too large 3.39795477220627 + 10.1575495982012 split increased to 2 itime 433980 itsplit 1 Momenta zeroed out, time 86799.80 - acceleration/energy drift too large 4.12039286360068 - 11.2075954709520 split increased to 2 itime 434467 + acceleration/energy drift too large 7.69123004419665 + 35.8686208065412 split increased to 2 itime 434110 itsplit 1 - acceleration/energy drift too large 3.97956901363867 - 11.5516804640946 split increased to 2 itime 434481 + acceleration/energy drift too large 2.83700084385699 + 12.0394401498669 split increased to 4 itime 434110 itsplit 1 -Momenta zeroed out, time 86999.80 - acceleration/energy drift too large 6.56025434076773 - 24.8172487826313 split increased to 2 itime 435230 + acceleration/energy drift too large 7.01300936382485 + 14.0188568320476 split increased to 2 itime 434992 itsplit 1 - acceleration/energy drift too large 5.89424251256535 - 18.7399164970373 split increased to 2 itime 435341 +Momenta zeroed out, time 86999.80 + acceleration/energy drift too large 5.71977418300235 + 20.4898285295107 split increased to 2 itime 435315 itsplit 1 - acceleration/energy drift too large 4.32768075171319 - 11.9842616180550 split increased to 2 itime 435606 + acceleration/energy drift too large 10.4488107462480 + 49.0606613181566 split increased to 2 itime 435653 itsplit 1 + acceleration/energy drift too large 2.53246228582756 + 11.5406607508159 split increased to 4 itime 435653 + itsplit 2 Momenta zeroed out, time 87199.80 - acceleration/energy drift too large 7.38274663157603 - 51.5378971406451 split increased to 2 itime 436824 - itsplit 1 Momenta zeroed out, time 87399.80 + acceleration/energy drift too large 4.97711174369273 + 10.4629680593605 split increased to 2 itime 437701 + itsplit 1 Momenta zeroed out, time 87599.80 -Momenta zeroed out, time 87799.80 -Velocities reset to random values, time 87999.80 -Momenta zeroed out, time 87999.80 - acceleration/energy drift too large 5.41701401868053 - 20.6477093311200 split increased to 2 itime 440025 + acceleration/energy drift too large 6.34476700455476 + 14.3441774043632 split increased to 2 itime 438493 itsplit 1 - acceleration/energy drift too large 5.77856532910847 - 11.8736594783062 split increased to 2 itime 440062 + acceleration/energy drift too large 3.80099896385821 + 15.5063568442626 split increased to 2 itime 438694 itsplit 1 - acceleration/energy drift too large 5.70143826526017 - 41.2214393419009 split increased to 2 itime 440235 +Momenta zeroed out, time 87799.80 + acceleration/energy drift too large 10.2530780081698 + 44.4159718324966 split increased to 2 itime 439094 itsplit 1 - acceleration/energy drift too large 4.21308999944285 - 11.9709067738492 split increased to 2 itime 440714 + acceleration/energy drift too large 5.92429447374166 + 19.5465846228996 split increased to 2 itime 439124 itsplit 1 - acceleration/energy drift too large 5.32440786623902 - 20.2137024115170 split increased to 2 itime 440830 +Velocities reset to random values, time 87999.80 +Momenta zeroed out, time 87999.80 +Momenta zeroed out, time 88199.80 + acceleration/energy drift too large 5.92628713767484 + 16.5841230192490 split increased to 2 itime 441037 itsplit 1 - acceleration/energy drift too large 2.81895585043219 - 10.1785139963199 split increased to 2 itime 440831 + acceleration/energy drift too large 10.0831165923867 + 49.8199880619342 split increased to 2 itime 441586 itsplit 1 -Momenta zeroed out, time 88199.80 Momenta zeroed out, time 88399.80 - acceleration/energy drift too large 8.12355702129282 - 24.2825108213189 split increased to 2 itime 442918 - itsplit 1 - acceleration/energy drift too large 1.72862970874912 - 14.1609961805352 split increased to 2 itime 442919 + acceleration/energy drift too large 6.64616333715314 + 21.1501622918273 split increased to 2 itime 442532 itsplit 1 - acceleration/energy drift too large 3.56703201844322 - 16.8627399152998 split increased to 2 itime 442954 + acceleration/energy drift too large 3.81037233481737 + 16.5534980923494 split increased to 2 itime 442572 itsplit 1 Momenta zeroed out, time 88599.80 - acceleration/energy drift too large 5.52014587621116 - 10.3219281811609 split increased to 2 itime 443186 - itsplit 1 - acceleration/energy drift too large 4.17711627085454 - 13.1702510933799 split increased to 2 itime 443657 - itsplit 1 - acceleration/energy drift too large 13.4324404596144 - 93.1945071690684 split increased to 2 itime 443660 - itsplit 1 Momenta zeroed out, time 88799.80 - acceleration/energy drift too large 3.47668963140518 - 16.3681876712026 split increased to 2 itime 444146 - itsplit 1 - acceleration/energy drift too large 5.26280575032560 - 17.2367036485583 split increased to 2 itime 444908 - itsplit 1 - acceleration/energy drift too large 5.35153048776863 - 12.5020862297359 split increased to 2 itime 444918 + acceleration/energy drift too large 8.36453451192273 + 23.8007497048264 split increased to 2 itime 444091 itsplit 1 Momenta zeroed out, time 88999.80 - acceleration/energy drift too large 3.02194170508634 - 13.0975032554040 split increased to 2 itime 445068 +Momenta zeroed out, time 89199.80 + acceleration/energy drift too large 8.96457060959924 + 36.0524728866252 split increased to 2 itime 446403 itsplit 1 - acceleration/energy drift too large 4.72655685478489 - 21.8895759778608 split increased to 2 itime 445331 +Momenta zeroed out, time 89399.80 + acceleration/energy drift too large 2.96066048289527 + 13.0949567456186 split increased to 2 itime 447339 itsplit 1 - acceleration/energy drift too large 8.37447190509563 - 30.1491617823334 split increased to 2 itime 445395 + acceleration/energy drift too large 8.08355666758558 + 30.2036128314141 split increased to 2 itime 447561 itsplit 1 - acceleration/energy drift too large 6.13839242529620 - 18.5018080132871 split increased to 2 itime 445511 + acceleration/energy drift too large 3.55242236815116 + 22.5606650361382 split increased to 2 itime 447563 itsplit 1 - acceleration/energy drift too large 3.29415823977872 - 10.8508516009387 split increased to 2 itime 445988 + acceleration/energy drift too large 4.72069157075703 + 18.1424825400914 split increased to 2 itime 447595 itsplit 1 -Momenta zeroed out, time 89199.80 - acceleration/energy drift too large 5.50235217006792 - 16.4119027722005 split increased to 2 itime 446207 + acceleration/energy drift too large 6.39065370493851 + 18.7197529214239 split increased to 2 itime 447801 itsplit 1 -Momenta zeroed out, time 89399.80 Momenta zeroed out, time 89599.80 + acceleration/energy drift too large 5.96786434681824 + 17.4915282481146 split increased to 2 itime 448790 + itsplit 1 Momenta zeroed out, time 89799.80 + acceleration/energy drift too large 3.97968022538174 + 10.6198322922703 split increased to 2 itime 449540 + itsplit 1 + acceleration/energy drift too large 4.56185260148642 + 19.6165926158832 split increased to 2 itime 449941 + itsplit 1 Velocities reset to random values, time 89999.80 Momenta zeroed out, time 89999.80 -Momenta zeroed out, time 90199.80 - acceleration/energy drift too large 8.45192016314703 - 35.4804655295981 split increased to 2 itime 451296 + acceleration/energy drift too large 2.91905029943511 + 11.9267072232202 split increased to 2 itime 450168 + itsplit 1 + acceleration/energy drift too large 3.55979922729126 + 11.9989251666181 split increased to 2 itime 450484 itsplit 1 - acceleration/energy drift too large 4.26236586893193 - 18.5623340789814 split increased to 2 itime 451522 +Momenta zeroed out, time 90199.80 + acceleration/energy drift too large 5.26994970881865 + 15.7009512844524 split increased to 2 itime 451105 itsplit 1 - acceleration/energy drift too large 1.99386657423154 - 13.4097219474261 split increased to 2 itime 451956 + acceleration/energy drift too large 4.33667137992118 + 11.0941844262688 split increased to 2 itime 451238 itsplit 1 Momenta zeroed out, time 90399.80 + acceleration/energy drift too large 4.75943399570105 + 19.3643645631205 split increased to 2 itime 452485 + itsplit 1 Momenta zeroed out, time 90599.80 Momenta zeroed out, time 90799.80 - acceleration/energy drift too large 7.42160463187368 - 25.6737711332883 split increased to 2 itime 454067 + acceleration/energy drift too large 5.51990086980323 + 11.5704650655087 split increased to 2 itime 454997 itsplit 1 Momenta zeroed out, time 90999.80 + acceleration/energy drift too large 6.50839236771744 + 11.7310128503053 split increased to 2 itime 455178 + itsplit 1 + acceleration/energy drift too large 4.39047154663127 + 11.3998584024546 split increased to 2 itime 455398 + itsplit 1 Momenta zeroed out, time 91199.80 -Momenta zeroed out, time 91399.80 - acceleration/energy drift too large 4.50063766541780 - 21.6526326451529 split increased to 2 itime 457360 + acceleration/energy drift too large 4.58391792016463 + 10.8642029738344 split increased to 2 itime 456462 + itsplit 1 + acceleration/energy drift too large 4.45640289934930 + 11.6198133435270 split increased to 2 itime 456717 itsplit 1 - acceleration/energy drift too large 3.12733014888226 - 11.7046628044348 split increased to 2 itime 457473 + acceleration/energy drift too large 2.19792924479839 + 10.0373318009611 split increased to 2 itime 456772 itsplit 1 - acceleration/energy drift too large 4.59606469453002 - 16.3255904741792 split increased to 2 itime 457797 + acceleration/energy drift too large 3.97727217659956 + 11.3993922577339 split increased to 2 itime 456777 itsplit 1 - acceleration/energy drift too large 13.9091724372466 - 58.6108154121556 split increased to 2 itime 457892 +Momenta zeroed out, time 91399.80 + acceleration/energy drift too large 5.46919601803498 + 18.5776774866862 split increased to 2 itime 457505 itsplit 1 - acceleration/energy drift too large 2.66466468219750 - 21.9164806784711 split increased to 2 itime 457893 + acceleration/energy drift too large 2.09407086419293 + 13.7639644118940 split increased to 2 itime 457506 + itsplit 1 + acceleration/energy drift too large 4.87350542431451 + 29.5278744535699 split increased to 2 itime 457941 + itsplit 1 + acceleration/energy drift too large 5.37088875885713 + 32.4952548303871 split increased to 2 itime 457951 itsplit 1 Momenta zeroed out, time 91599.80 + acceleration/energy drift too large 4.92110558102567 + 11.1139199807962 split increased to 2 itime 458751 + itsplit 1 Momenta zeroed out, time 91799.80 Velocities reset to random values, time 91999.80 Momenta zeroed out, time 91999.80 + acceleration/energy drift too large 15.5347174845748 + 89.4145249576926 split increased to 2 itime 460086 + itsplit 1 + acceleration/energy drift too large 4.74800746034898 + 13.6365098088745 split increased to 2 itime 460306 + itsplit 1 Momenta zeroed out, time 92199.80 - acceleration/energy drift too large 13.8779557999965 - 80.2171070121387 split increased to 2 itime 461761 + acceleration/energy drift too large 5.76607160067379 + 10.0388146815359 split increased to 2 itime 461164 + itsplit 1 + acceleration/energy drift too large 8.86428521305305 + 35.4487991935033 split increased to 2 itime 461376 itsplit 1 - acceleration/energy drift too large 3.22656367882409 - 18.2624899607158 split increased to 4 itime 461761 + acceleration/energy drift too large 2.45428838698710 + 12.5319378026072 split increased to 4 itime 461376 itsplit 2 Momenta zeroed out, time 92399.80 Momenta zeroed out, time 92599.80 + acceleration/energy drift too large 4.49347120740558 + 24.1013361919538 split increased to 2 itime 463017 + itsplit 1 + acceleration/energy drift too large 4.37008004918695 + 12.3951414279425 split increased to 2 itime 463519 + itsplit 1 + acceleration/energy drift too large 13.1745570439033 + 102.543486702116 split increased to 2 itime 463940 + itsplit 1 Momenta zeroed out, time 92799.80 - acceleration/energy drift too large 2.64266149909697 - 12.4921070460805 split increased to 2 itime 464291 + acceleration/energy drift too large 4.88362170124052 + 13.2593366053924 split increased to 2 itime 464134 itsplit 1 - acceleration/energy drift too large 5.34152293560230 - 14.4738014177988 split increased to 2 itime 464761 + acceleration/energy drift too large 5.92994118747369 + 10.5807235288160 split increased to 2 itime 464521 itsplit 1 Momenta zeroed out, time 92999.80 Momenta zeroed out, time 93199.80 -Momenta zeroed out, time 93399.80 - acceleration/energy drift too large 3.64304862499644 - 10.4342271207518 split increased to 2 itime 467975 + acceleration/energy drift too large 10.2491733367453 + 46.3045279663267 split increased to 2 itime 466361 + itsplit 1 + acceleration/energy drift too large 4.65703215122799 + 14.6555576052578 split increased to 2 itime 466544 + itsplit 1 + acceleration/energy drift too large 5.71381540002543 + 10.3402019923102 split increased to 2 itime 466593 + itsplit 1 + acceleration/energy drift too large 5.09960902181332 + 11.5194114987323 split increased to 2 itime 466619 itsplit 1 - acceleration/energy drift too large 6.25321472852441 - 13.0419399693491 split increased to 2 itime 467994 + acceleration/energy drift too large 2.91753331545509 + 12.6804882843319 split increased to 2 itime 466620 itsplit 1 +Momenta zeroed out, time 93399.80 Momenta zeroed out, time 93599.80 - acceleration/energy drift too large 4.68145987663830 - 19.0816822844841 split increased to 2 itime 468501 + acceleration/energy drift too large 5.89612409400580 + 44.2997003869194 split increased to 2 itime 468295 itsplit 1 Momenta zeroed out, time 93799.80 - acceleration/energy drift too large 4.47434642622370 - 14.3164700165113 split increased to 2 itime 469352 - itsplit 1 - acceleration/energy drift too large 4.19728699773014 - 12.2311812488770 split increased to 2 itime 469561 + acceleration/energy drift too large 4.35362793961114 + 12.0117617799136 split increased to 2 itime 469601 itsplit 1 Velocities reset to random values, time 93999.80 Momenta zeroed out, time 93999.80 -Momenta zeroed out, time 94199.80 - acceleration/energy drift too large 14.4677753973564 - 98.5575060815438 split increased to 2 itime 471512 + acceleration/energy drift too large 3.97465616259591 + 12.3271770260945 split increased to 2 itime 470253 itsplit 1 -Momenta zeroed out, time 94399.80 - acceleration/energy drift too large 8.62043742756168 - 32.6227841189390 split increased to 2 itime 472161 +Momenta zeroed out, time 94199.80 + acceleration/energy drift too large 9.82367273124791 + 43.5299988141886 split increased to 2 itime 471411 itsplit 1 - acceleration/energy drift too large 5.06309106360724 - 16.2427839373481 split increased to 2 itime 472999 + acceleration/energy drift too large 2.47875322996572 + 11.0231385704380 split increased to 4 itime 471411 + itsplit 2 + acceleration/energy drift too large 5.59691508725781 + 22.0433311843717 split increased to 2 itime 471478 itsplit 1 -Momenta zeroed out, time 94599.80 - acceleration/energy drift too large 4.30436852668374 - 11.7719462369730 split increased to 2 itime 473584 + acceleration/energy drift too large 2.05173938297553 + 12.1370434087029 split increased to 2 itime 471873 itsplit 1 - acceleration/energy drift too large 5.94867811579497 - 28.0490904174191 split increased to 2 itime 473652 +Momenta zeroed out, time 94399.80 + acceleration/energy drift too large 2.72152380566769 + 14.5146678794122 split increased to 2 itime 472078 itsplit 1 +Momenta zeroed out, time 94599.80 Momenta zeroed out, time 94799.80 - acceleration/energy drift too large 3.16056585698659 - 21.0680883983546 split increased to 2 itime 474618 + acceleration/energy drift too large 5.80678585391142 + 20.5193051750951 split increased to 2 itime 474181 itsplit 1 Momenta zeroed out, time 94999.80 - acceleration/energy drift too large 10.7592228283037 - 49.1789358125014 split increased to 2 itime 475320 + acceleration/energy drift too large 11.0723227300533 + 50.5399916818044 split increased to 2 itime 475078 itsplit 1 -Momenta zeroed out, time 95199.80 - acceleration/energy drift too large 11.0470772345949 - 58.2647793220868 split increased to 2 itime 476781 + acceleration/energy drift too large 3.59946828462242 + 11.2341132426207 split increased to 2 itime 475505 itsplit 1 - acceleration/energy drift too large 3.41479428619190 - 13.1211999431893 split increased to 2 itime 476940 + acceleration/energy drift too large 10.2106497603426 + 47.5456629818627 split increased to 2 itime 475641 itsplit 1 +Momenta zeroed out, time 95199.80 Momenta zeroed out, time 95399.80 - acceleration/energy drift too large 3.20119508715320 - 11.0309392177079 split increased to 2 itime 477051 + acceleration/energy drift too large 9.25149754295671 + 36.8867046592197 split increased to 2 itime 477354 itsplit 1 Momenta zeroed out, time 95599.80 + acceleration/energy drift too large 5.24134806695989 + 15.7732452467724 split increased to 2 itime 478351 + itsplit 1 + acceleration/energy drift too large 6.56505189378042 + 24.6360085700736 split increased to 2 itime 478823 + itsplit 1 Momenta zeroed out, time 95799.80 - acceleration/energy drift too large 5.33207992221958 - 12.0606816229252 split increased to 2 itime 479616 + acceleration/energy drift too large 5.09243221309198 + 14.7345958336641 split increased to 2 itime 479655 itsplit 1 - acceleration/energy drift too large 4.38543890021748 - 11.8748039031620 split increased to 2 itime 479869 + acceleration/energy drift too large 5.63061029720984 + 13.4384090345910 split increased to 2 itime 479812 + itsplit 1 + acceleration/energy drift too large 10.3784261908748 + 48.2981345652913 split increased to 2 itime 479930 itsplit 1 Velocities reset to random values, time 95999.80 Momenta zeroed out, time 95999.80 - acceleration/energy drift too large 4.89197424310461 - 12.1833115771249 split increased to 2 itime 480936 + acceleration/energy drift too large 3.02097081053854 + 17.5005167839453 split increased to 2 itime 480685 itsplit 1 Momenta zeroed out, time 96199.80 + acceleration/energy drift too large 2.18104610533596 + 15.1002155748779 split increased to 2 itime 481551 + itsplit 1 + acceleration/energy drift too large 5.08243424157425 + 29.5508123213567 split increased to 2 itime 481564 + itsplit 1 Momenta zeroed out, time 96399.80 Momenta zeroed out, time 96599.80 - acceleration/energy drift too large 6.81095249025459 - 21.7877270497901 split increased to 2 itime 483648 - itsplit 1 Momenta zeroed out, time 96799.80 - acceleration/energy drift too large 4.17216530161613 - 12.6293040293626 split increased to 2 itime 484595 - itsplit 1 - acceleration/energy drift too large 6.23194315960801 - 17.4857350132362 split increased to 2 itime 484982 + acceleration/energy drift too large 4.21883030872500 + 19.2660477546219 split increased to 2 itime 484743 itsplit 1 Momenta zeroed out, time 96999.80 + acceleration/energy drift too large 4.35808040053635 + 17.6355552924359 split increased to 2 itime 485583 + itsplit 1 Momenta zeroed out, time 97199.80 - acceleration/energy drift too large 2.98299017789078 - 14.1384486408794 split increased to 2 itime 486767 + acceleration/energy drift too large 9.83611301876673 + 40.6477616154190 split increased to 2 itime 486451 itsplit 1 -Momenta zeroed out, time 97399.80 - acceleration/energy drift too large 4.84512408439344 - 24.6047635786350 split increased to 2 itime 487928 + acceleration/energy drift too large 4.58038670192608 + 18.8662010889270 split increased to 2 itime 486452 itsplit 1 -Momenta zeroed out, time 97599.80 - acceleration/energy drift too large 4.20534229900564 - 12.7833858443266 split increased to 2 itime 488417 + acceleration/energy drift too large 8.84307401972136 + 18.6338737204419 split increased to 2 itime 486481 itsplit 1 - acceleration/energy drift too large 4.43284738150858 - 17.8773293675634 split increased to 2 itime 488943 + acceleration/energy drift too large 3.88299238112213 + 15.6844803388867 split increased to 2 itime 486562 itsplit 1 -Momenta zeroed out, time 97799.80 - acceleration/energy drift too large 5.53507646910065 - 14.3502922690981 split increased to 2 itime 489264 + acceleration/energy drift too large 4.81626957914212 + 14.5324868431511 split increased to 2 itime 486661 + itsplit 1 + acceleration/energy drift too large 4.58924584063344 + 11.5047760938639 split increased to 2 itime 486730 + itsplit 1 +Momenta zeroed out, time 97399.80 + acceleration/energy drift too large 2.43850893275043 + 15.4398186107597 split increased to 2 itime 487761 + itsplit 1 + acceleration/energy drift too large 5.91920472789936 + 15.2190621592810 split increased to 2 itime 487785 itsplit 1 +Momenta zeroed out, time 97599.80 +Momenta zeroed out, time 97799.80 Velocities reset to random values, time 97999.80 Momenta zeroed out, time 97999.80 - acceleration/energy drift too large 3.07271064670327 - 18.0854554834272 split increased to 2 itime 490425 + acceleration/energy drift too large 7.15625844182777 + 21.0772776658735 split increased to 2 itime 490062 + itsplit 1 + acceleration/energy drift too large 2.53200926185036 + 13.6113451838967 split increased to 2 itime 490063 itsplit 1 - acceleration/energy drift too large 3.84552794980097 - 10.7330238721579 split increased to 2 itime 490489 + acceleration/energy drift too large 2.83232482403563 + 12.0605438938636 split increased to 2 itime 490688 itsplit 1 Momenta zeroed out, time 98199.80 - acceleration/energy drift too large 6.29187892016454 - 30.4511371267581 split increased to 2 itime 491836 + acceleration/energy drift too large 4.55954380178442 + 12.6497644199010 split increased to 2 itime 491012 itsplit 1 Momenta zeroed out, time 98399.80 - acceleration/energy drift too large 3.97841877944254 - 15.5035285525859 split increased to 2 itime 492156 - itsplit 1 - acceleration/energy drift too large 4.78879504961417 - 16.5738409435749 split increased to 2 itime 492865 - itsplit 1 - acceleration/energy drift too large 1.51309950131899 - 13.3928598962328 split increased to 2 itime 492866 + acceleration/energy drift too large 5.35144922259192 + 13.5083719852122 split increased to 2 itime 492140 itsplit 1 Momenta zeroed out, time 98599.80 - acceleration/energy drift too large 3.79461724358561 - 13.7823568454807 split increased to 2 itime 493133 + acceleration/energy drift too large 4.56980909369729 + 13.1554032651000 split increased to 2 itime 493862 itsplit 1 - acceleration/energy drift too large 5.47416860728745 - 13.8931101827409 split increased to 2 itime 493780 + acceleration/energy drift too large 5.12935817185799 + 19.3001153174521 split increased to 2 itime 493925 itsplit 1 Momenta zeroed out, time 98799.80 + acceleration/energy drift too large 4.86316109051042 + 24.0340956574699 split increased to 2 itime 494744 + itsplit 1 Momenta zeroed out, time 98999.80 -Momenta zeroed out, time 99199.80 - acceleration/energy drift too large 2.94004551512649 - 15.0491691165393 split increased to 2 itime 496539 + acceleration/energy drift too large 5.86643393307506 + 19.3192036954549 split increased to 2 itime 495326 itsplit 1 -Momenta zeroed out, time 99399.80 -Momenta zeroed out, time 99599.80 -Momenta zeroed out, time 99799.80 - acceleration/energy drift too large 3.84508775778104 - 11.9038269143670 split increased to 2 itime 499050 + acceleration/energy drift too large 5.63416771569283 + 31.4806588656910 split increased to 2 itime 495912 itsplit 1 -Velocities reset to random values, time 99999.80 -Momenta zeroed out, time 99999.80 - acceleration/energy drift too large 6.63208798629855 - 31.8519101359800 split increased to 2 itime 500077 +Momenta zeroed out, time 99199.80 + acceleration/energy drift too large 5.26960990865793 + 11.3684039111014 split increased to 2 itime 496090 itsplit 1 - acceleration/energy drift too large 4.74662366685918 - 12.6386838070020 split increased to 2 itime 500114 + acceleration/energy drift too large 5.45633571854464 + 21.1451076274437 split increased to 2 itime 496140 itsplit 1 - acceleration/energy drift too large 3.82379555005056 - 10.9829363199183 split increased to 2 itime 500543 + acceleration/energy drift too large 2.31156224403909 + 19.0424431924611 split increased to 2 itime 496206 itsplit 1 - acceleration/energy drift too large 10.6959311939999 - 48.8067650890428 split increased to 2 itime 500681 + acceleration/energy drift too large 6.00359555673711 + 31.4239021121944 split increased to 2 itime 496427 itsplit 1 - acceleration/energy drift too large 5.18812929422940 - 21.3662043247911 split increased to 2 itime 500805 +Momenta zeroed out, time 99399.80 + acceleration/energy drift too large 7.29825522125020 + 33.5797613095311 split increased to 2 itime 497065 + itsplit 1 + acceleration/energy drift too large 2.13259992369786 + 18.1504507280645 split increased to 2 itime 497066 itsplit 1 +Momenta zeroed out, time 99599.80 +Momenta zeroed out, time 99799.80 +Velocities reset to random values, time 99999.80 +Momenta zeroed out, time 99999.80 Momenta zeroed out, time 100199.80 - acceleration/energy drift too large 6.12768734950912 - 39.7117109602557 split increased to 2 itime 501710 + acceleration/energy drift too large 2.91623746613634 + 12.0624760214683 split increased to 2 itime 501426 itsplit 1 - acceleration/energy drift too large 6.35366996910706 - 31.0000859262355 split increased to 2 itime 501788 + acceleration/energy drift too large 5.03006810017253 + 13.7085805653500 split increased to 2 itime 501522 itsplit 1 Momenta zeroed out, time 100399.80 -Momenta zeroed out, time 100599.80 - acceleration/energy drift too large 6.27587665826797 - 12.5374480981183 split increased to 2 itime 503174 + acceleration/energy drift too large 6.24234876489096 + 27.1936553005915 split increased to 2 itime 502480 itsplit 1 - acceleration/energy drift too large 6.09298748527495 - 15.9257722550095 split increased to 2 itime 503426 +Momenta zeroed out, time 100599.80 + acceleration/energy drift too large 3.23764912161862 + 25.8138133989190 split increased to 2 itime 503083 itsplit 1 Momenta zeroed out, time 100799.80 - acceleration/energy drift too large 4.25481735334705 - 11.4239138798910 split increased to 2 itime 504725 - itsplit 1 Momenta zeroed out, time 100999.80 - acceleration/energy drift too large 4.33053594078585 - 14.4719224772227 split increased to 2 itime 505795 + acceleration/energy drift too large 3.70802424431343 + 22.6449454652697 split increased to 2 itime 505513 itsplit 1 Momenta zeroed out, time 101199.80 - acceleration/energy drift too large 4.38181204651199 - 11.2304207288336 split increased to 2 itime 506266 - itsplit 1 Momenta zeroed out, time 101399.80 - acceleration/energy drift too large 5.77031892714953 - 19.5300181850921 split increased to 2 itime 507444 + acceleration/energy drift too large 4.90510932425524 + 13.0012949673908 split increased to 2 itime 507007 itsplit 1 - acceleration/energy drift too large 4.62393077875514 - 14.9515116996761 split increased to 2 itime 507589 + acceleration/energy drift too large 3.93093171658249 + 10.6794956065478 split increased to 2 itime 507742 itsplit 1 Momenta zeroed out, time 101599.80 - acceleration/energy drift too large 4.00226066639612 - 11.1604040153741 split increased to 2 itime 508158 - itsplit 1 Momenta zeroed out, time 101799.80 - acceleration/energy drift too large 3.17100021025665 - 20.5635285329765 split increased to 2 itime 509006 + acceleration/energy drift too large 9.43120435826759 + 39.5163927150197 split increased to 2 itime 509256 + itsplit 1 + acceleration/energy drift too large 5.17918705724584 + 15.6477063299956 split increased to 2 itime 509832 itsplit 1 Velocities reset to random values, time 101999.80 Momenta zeroed out, time 101999.80 + acceleration/energy drift too large 3.20516194897290 + 12.3266702544409 split increased to 2 itime 510583 + itsplit 1 + acceleration/energy drift too large 6.38107928107595 + 13.7487398301653 split increased to 2 itime 510679 + itsplit 1 Momenta zeroed out, time 102199.80 - acceleration/energy drift too large 4.52020472455689 - 18.1883059767035 split increased to 2 itime 511333 + acceleration/energy drift too large 6.80078991350227 + 12.5024610045712 split increased to 2 itime 511422 itsplit 1 Momenta zeroed out, time 102399.80 - acceleration/energy drift too large 13.1350464101116 - 58.4059141266390 split increased to 2 itime 512513 - itsplit 1 - acceleration/energy drift too large 2.30711412646158 - 12.8614361833453 split increased to 4 itime 512513 + acceleration/energy drift too large 14.4191954080033 + 81.9836969346563 split increased to 2 itime 512397 itsplit 1 - acceleration/energy drift too large 4.76742267190498 - 24.9764809866593 split increased to 2 itime 512598 + acceleration/energy drift too large 3.67324137532598 + 14.8654024319969 split increased to 2 itime 512768 itsplit 1 Momenta zeroed out, time 102599.80 - acceleration/energy drift too large 5.17577979477858 - 12.7872713587971 split increased to 2 itime 513551 - itsplit 1 - acceleration/energy drift too large 6.44800707306677 - 14.8277938585278 split increased to 2 itime 513877 + acceleration/energy drift too large 2.06243709231531 + 10.7064625549895 split increased to 2 itime 513455 itsplit 1 Momenta zeroed out, time 102799.80 - acceleration/energy drift too large 7.37842111595536 - 13.8912590266941 split increased to 2 itime 514139 + acceleration/energy drift too large 5.05941996667173 + 10.2183376484256 split increased to 2 itime 514138 itsplit 1 - acceleration/energy drift too large 5.43597651127115 - 23.9502242781973 split increased to 2 itime 514304 + acceleration/energy drift too large 3.65488016422217 + 16.8477657030101 split increased to 2 itime 514359 + itsplit 1 + acceleration/energy drift too large 4.36624630928511 + 14.5765852634734 split increased to 2 itime 514532 itsplit 1 Momenta zeroed out, time 102999.80 - acceleration/energy drift too large 4.57240072720085 - 13.8146522635503 split increased to 2 itime 515258 + acceleration/energy drift too large 4.07200629830924 + 17.1924029668235 split increased to 2 itime 515308 itsplit 1 - acceleration/energy drift too large 1.66456889511725 - 15.3608315267926 split increased to 2 itime 515259 + acceleration/energy drift too large 7.10627552657503 + 15.7404137219012 split increased to 2 itime 515585 itsplit 1 Momenta zeroed out, time 103199.80 Momenta zeroed out, time 103399.80 + acceleration/energy drift too large 4.76465309709516 + 11.9716601299023 split increased to 2 itime 517119 + itsplit 1 + acceleration/energy drift too large 4.37232229728535 + 11.0834306182815 split increased to 2 itime 517240 + itsplit 1 + acceleration/energy drift too large 6.91241635514517 + 23.9249568719813 split increased to 2 itime 517510 + itsplit 1 + acceleration/energy drift too large 5.27294799828683 + 10.0117876193459 split increased to 2 itime 517745 + itsplit 1 Momenta zeroed out, time 103599.80 -Momenta zeroed out, time 103799.80 - acceleration/energy drift too large 7.39250298046238 - 18.8619932339402 split increased to 2 itime 519457 + acceleration/energy drift too large 4.80186970848253 + 29.4652754306229 split increased to 2 itime 518235 itsplit 1 - acceleration/energy drift too large 10.4720705058556 - 52.4741393322212 split increased to 2 itime 519529 + acceleration/energy drift too large 6.03130754138308 + 36.0743849718901 split increased to 2 itime 518573 itsplit 1 - acceleration/energy drift too large 5.40750425425500 - 10.1859635640158 split increased to 2 itime 519530 + acceleration/energy drift too large 4.11428700632889 + 10.8627264472350 split increased to 2 itime 518599 itsplit 1 +Momenta zeroed out, time 103799.80 Velocities reset to random values, time 103999.80 Momenta zeroed out, time 103999.80 - acceleration/energy drift too large 4.35846781086581 - 15.5890345415175 split increased to 2 itime 520635 - itsplit 1 - acceleration/energy drift too large 4.14673107902784 - 10.3267897220777 split increased to 2 itime 520808 - itsplit 1 - acceleration/energy drift too large 6.39869891898305 - 13.1933853459132 split increased to 2 itime 520886 + acceleration/energy drift too large 4.68728282873536 + 10.3198980627992 split increased to 2 itime 520612 itsplit 1 Momenta zeroed out, time 104199.80 Momenta zeroed out, time 104399.80 - acceleration/energy drift too large 6.20449949884101 - 27.0978659721628 split increased to 2 itime 522010 + acceleration/energy drift too large 4.87344911845598 + 11.6587381017042 split increased to 2 itime 522108 itsplit 1 - acceleration/energy drift too large 4.58289955900818 - 22.7487146037736 split increased to 2 itime 522821 + acceleration/energy drift too large 4.33913501311994 + 14.3531357553636 split increased to 2 itime 522223 itsplit 1 Momenta zeroed out, time 104599.80 - acceleration/energy drift too large 5.74018465205798 - 43.0204338540247 split increased to 2 itime 523423 + acceleration/energy drift too large 2.83757912484878 + 14.1223810304673 split increased to 2 itime 523621 + itsplit 1 + acceleration/energy drift too large 4.39940153574317 + 20.8292588180971 split increased to 2 itime 523952 itsplit 1 - acceleration/energy drift too large 1.74958158380373 - 17.3379189230418 split increased to 2 itime 523424 + acceleration/energy drift too large 4.42100548198371 + 11.6290741899595 split increased to 2 itime 523992 itsplit 1 Momenta zeroed out, time 104799.80 - acceleration/energy drift too large 3.74196787670626 - 16.7310117246332 split increased to 2 itime 524257 + acceleration/energy drift too large 6.66776754844710 + 21.1845191157862 split increased to 2 itime 524139 itsplit 1 - acceleration/energy drift too large 6.72349469537865 - 43.0387935152799 split increased to 2 itime 524765 + acceleration/energy drift too large 3.13188809233497 + 17.8825962519144 split increased to 2 itime 524618 itsplit 1 Momenta zeroed out, time 104999.80 - acceleration/energy drift too large 4.19323786014459 - 10.2051624786339 split increased to 2 itime 525329 + acceleration/energy drift too large 7.99087659737915 + 30.5926378812863 split increased to 2 itime 525281 itsplit 1 - acceleration/energy drift too large 3.31439713374723 - 11.9669637411027 split increased to 2 itime 525438 + acceleration/energy drift too large 5.15972094904452 + 27.6951793675203 split increased to 2 itime 525457 itsplit 1 - acceleration/energy drift too large 2.73379179979303 - 13.8334728394770 split increased to 2 itime 525883 + acceleration/energy drift too large 3.17055694728133 + 18.5075490276260 split increased to 2 itime 525550 itsplit 1 Momenta zeroed out, time 105199.80 Momenta zeroed out, time 105399.80 - acceleration/energy drift too large 3.85786159254616 - 13.2955726707336 split increased to 2 itime 527854 + acceleration/energy drift too large 5.01570922643344 + 19.8403123379650 split increased to 2 itime 527215 + itsplit 1 + acceleration/energy drift too large 4.69743179558449 + 11.5517010182329 split increased to 2 itime 527812 itsplit 1 Momenta zeroed out, time 105599.80 + acceleration/energy drift too large 8.87953702167717 + 37.7446079531750 split increased to 2 itime 528293 + itsplit 1 + acceleration/energy drift too large 8.29205231331873 + 35.2998053356955 split increased to 2 itime 528569 + itsplit 1 Momenta zeroed out, time 105799.80 Velocities reset to random values, time 105999.80 Momenta zeroed out, time 105999.80 -Momenta zeroed out, time 106199.80 - acceleration/energy drift too large 4.58083562486114 - 24.4121819600854 split increased to 2 itime 531342 - itsplit 1 - acceleration/energy drift too large 6.60431905436445 - 24.4636609668235 split increased to 2 itime 531369 - itsplit 1 - acceleration/energy drift too large 6.73532952010290 - 16.6204877027913 split increased to 2 itime 531507 + acceleration/energy drift too large 7.58486591637916 + 24.8557176740090 split increased to 2 itime 530085 itsplit 1 +Momenta zeroed out, time 106199.80 Momenta zeroed out, time 106399.80 -Momenta zeroed out, time 106599.80 - acceleration/energy drift too large 4.15795828123600 - 26.4696890281007 split increased to 2 itime 533172 + acceleration/energy drift too large 7.17847727693865 + 29.9387039700131 split increased to 2 itime 532594 itsplit 1 - acceleration/energy drift too large 5.50050063822439 - 19.1338645985626 split increased to 2 itime 533953 +Momenta zeroed out, time 106599.80 + acceleration/energy drift too large 6.13330112845432 + 10.2800652746847 split increased to 2 itime 533419 itsplit 1 Momenta zeroed out, time 106799.80 Momenta zeroed out, time 106999.80 - acceleration/energy drift too large 5.21157613309263 - 29.1507906482669 split increased to 2 itime 535464 + acceleration/energy drift too large 1.85682485054004 + 14.3520443019253 split increased to 2 itime 535282 itsplit 1 Momenta zeroed out, time 107199.80 - acceleration/energy drift too large 5.47918094707431 - 18.7322646135869 split increased to 2 itime 536033 + acceleration/energy drift too large 5.70235703631451 + 10.3058131192363 split increased to 2 itime 536461 itsplit 1 Momenta zeroed out, time 107399.80 -Momenta zeroed out, time 107599.80 - acceleration/energy drift too large 3.12490382272047 - 10.8028958684245 split increased to 2 itime 538325 + acceleration/energy drift too large 5.41321221580483 + 33.4515647506443 split increased to 2 itime 537284 itsplit 1 +Momenta zeroed out, time 107599.80 Momenta zeroed out, time 107799.80 - acceleration/energy drift too large 4.62662386841443 - 16.1005495777161 split increased to 2 itime 539244 - itsplit 1 - acceleration/energy drift too large 5.09354950474471 - 14.1499077560845 split increased to 2 itime 539289 - itsplit 1 - acceleration/energy drift too large 8.55408990990578 - 34.1547178938265 split increased to 2 itime 539628 + acceleration/energy drift too large 4.32028344480980 + 25.9217426352757 split increased to 2 itime 539869 itsplit 1 Velocities reset to random values, time 107999.80 Momenta zeroed out, time 107999.80 -Momenta zeroed out, time 108199.80 - acceleration/energy drift too large 4.82765638058293 - 14.0484430083573 split increased to 2 itime 541872 + acceleration/energy drift too large 4.28193514901754 + 23.7003598264839 split increased to 2 itime 540646 itsplit 1 - acceleration/energy drift too large 8.77467896016026 - 32.0294843628760 split increased to 2 itime 541951 +Momenta zeroed out, time 108199.80 + acceleration/energy drift too large 3.87150033160250 + 16.7998688755667 split increased to 2 itime 541140 itsplit 1 Momenta zeroed out, time 108399.80 - acceleration/energy drift too large 3.66163758846830 - 15.3410021191084 split increased to 2 itime 542543 + acceleration/energy drift too large 4.85877287635436 + 21.0796593331325 split increased to 2 itime 542372 itsplit 1 - acceleration/energy drift too large 8.17669538252998 - 35.7589907896092 split increased to 2 itime 542999 + acceleration/energy drift too large 6.61013621579120 + 16.8306066205497 split increased to 2 itime 542852 itsplit 1 Momenta zeroed out, time 108599.80 - acceleration/energy drift too large 6.31429026638194 - 19.9718578267923 split increased to 2 itime 543384 + acceleration/energy drift too large 6.98766554893884 + 23.7650856316213 split increased to 2 itime 543405 itsplit 1 -Momenta zeroed out, time 108799.80 - acceleration/energy drift too large 10.5106768577192 - 52.4791799502672 split increased to 2 itime 544218 + acceleration/energy drift too large 4.25089284462629 + 15.6041658148819 split increased to 2 itime 543596 itsplit 1 + acceleration/energy drift too large 5.55683059871652 + 24.4537663945323 split increased to 2 itime 543654 + itsplit 1 +Momenta zeroed out, time 108799.80 Momenta zeroed out, time 108999.80 - acceleration/energy drift too large 4.35453477424778 - 17.4355222150015 split increased to 2 itime 545332 + acceleration/energy drift too large 4.05501676114515 + 11.2111808578452 split increased to 2 itime 545040 itsplit 1 - acceleration/energy drift too large 2.50114239193474 - 10.6527306431511 split increased to 2 itime 545889 + acceleration/energy drift too large 6.90127133656728 + 29.6368393033737 split increased to 2 itime 545965 itsplit 1 Momenta zeroed out, time 109199.80 + acceleration/energy drift too large 4.25550394146618 + 12.2868301073709 split increased to 2 itime 546831 + itsplit 1 Momenta zeroed out, time 109399.80 -Momenta zeroed out, time 109599.80 - acceleration/energy drift too large 5.40764952996222 - 12.7845279365424 split increased to 2 itime 548131 + acceleration/energy drift too large 4.20268923539743 + 11.6661679345745 split increased to 2 itime 547205 + itsplit 1 + acceleration/energy drift too large 1.98839924989015 + 14.3307364904237 split increased to 2 itime 547591 itsplit 1 - acceleration/energy drift too large 6.09423836895769 - 11.0403437486267 split increased to 2 itime 548448 + acceleration/energy drift too large 3.20643743567644 + 10.7509565297498 split increased to 2 itime 547826 itsplit 1 +Momenta zeroed out, time 109599.80 Momenta zeroed out, time 109799.80 - acceleration/energy drift too large 6.20847145285182 - 17.7540985464934 split increased to 2 itime 549840 + acceleration/energy drift too large 15.3890618161281 + 98.2580247045534 split increased to 2 itime 549096 + itsplit 1 + acceleration/energy drift too large 4.25270881641693 + 10.7576932283661 split increased to 2 itime 549437 itsplit 1 Velocities reset to random values, time 109999.80 Momenta zeroed out, time 109999.80 -Momenta zeroed out, time 110199.80 - acceleration/energy drift too large 2.67792278062096 - 16.2568775700813 split increased to 2 itime 551291 - itsplit 1 - acceleration/energy drift too large 1.74844404234395 - 11.7717789023679 split increased to 2 itime 551949 + acceleration/energy drift too large 5.09475203812973 + 11.7634934616474 split increased to 2 itime 550565 itsplit 1 -Momenta zeroed out, time 110399.80 -Momenta zeroed out, time 110599.80 - acceleration/energy drift too large 5.40414564570825 - 29.9677100131952 split increased to 2 itime 553246 - itsplit 1 - acceleration/energy drift too large 10.4304531915924 - 45.3671450924352 split increased to 2 itime 553475 - itsplit 1 - acceleration/energy drift too large 2.56992053732296 - 11.0085278354688 split increased to 4 itime 553475 - itsplit 2 - acceleration/energy drift too large 5.83604193080286 - 35.0843264562389 split increased to 2 itime 553685 +Momenta zeroed out, time 110199.80 + acceleration/energy drift too large 5.26154275960067 + 18.7911051685614 split increased to 2 itime 551865 itsplit 1 -Momenta zeroed out, time 110799.80 - acceleration/energy drift too large 5.11728470738059 - 17.5204164270002 split increased to 2 itime 554077 +Momenta zeroed out, time 110399.80 +Momenta zeroed out, time 110599.80 + acceleration/energy drift too large 8.81171919853468 + 36.2558938055078 split increased to 2 itime 553024 itsplit 1 - acceleration/energy drift too large 5.55323362679606 - 33.1171261254342 split increased to 2 itime 554203 + acceleration/energy drift too large 3.05809692508512 + 24.3168301386340 split increased to 2 itime 553025 itsplit 1 - acceleration/energy drift too large 5.87466492866466 - 12.8712907581617 split increased to 2 itime 554570 + acceleration/energy drift too large 3.96072996050966 + 11.3336798220317 split increased to 2 itime 553597 itsplit 1 - acceleration/energy drift too large 3.41922100369045 - 12.4111587465143 split increased to 2 itime 554711 +Momenta zeroed out, time 110799.80 + acceleration/energy drift too large 4.62447925571704 + 15.1929619069888 split increased to 2 itime 554707 itsplit 1 Momenta zeroed out, time 110999.80 - acceleration/energy drift too large 4.61428749531713 - 25.2686017515276 split increased to 2 itime 555531 + acceleration/energy drift too large 5.37779334601634 + 10.1070100317293 split increased to 2 itime 555913 itsplit 1 Momenta zeroed out, time 111199.80 - acceleration/energy drift too large 5.89047426455880 - 19.3089606053526 split increased to 2 itime 556478 + acceleration/energy drift too large 5.19040109627616 + 12.9768551098895 split increased to 2 itime 556331 itsplit 1 Momenta zeroed out, time 111399.80 - acceleration/energy drift too large 3.75152617746088 - 12.0576277571126 split increased to 2 itime 557435 - itsplit 1 - acceleration/energy drift too large 4.94161688013167 - 29.8729398638098 split increased to 2 itime 557828 - itsplit 1 - acceleration/energy drift too large 7.06472723431867 - 13.7687665918507 split increased to 2 itime 557896 - itsplit 1 Momenta zeroed out, time 111599.80 - acceleration/energy drift too large 2.10865251083472 - 14.6892574241826 split increased to 2 itime 558054 - itsplit 1 - acceleration/energy drift too large 6.61613294570162 - 41.6755389882931 split increased to 2 itime 558129 - itsplit 1 - acceleration/energy drift too large 2.31485120729109 - 11.2522981496304 split increased to 2 itime 558189 - itsplit 1 - acceleration/energy drift too large 6.24361448177252 - 36.0855051578850 split increased to 2 itime 558711 - itsplit 1 Momenta zeroed out, time 111799.80 - acceleration/energy drift too large 4.90010540698752 - 25.3405231978297 split increased to 2 itime 559770 + acceleration/energy drift too large 4.90743998081960 + 13.8050492883168 split increased to 2 itime 559588 + itsplit 1 + acceleration/energy drift too large 7.20843990881758 + 17.1205122488275 split increased to 2 itime 559929 itsplit 1 Velocities reset to random values, time 111999.80 Momenta zeroed out, time 111999.80 + acceleration/energy drift too large 4.84774730059320 + 19.6649646248381 split increased to 2 itime 560872 + itsplit 1 Momenta zeroed out, time 112199.80 -Momenta zeroed out, time 112399.80 - acceleration/energy drift too large 3.98187534705427 - 17.9663101315674 split increased to 2 itime 562223 + acceleration/energy drift too large 4.99864475324169 + 16.0771417044194 split increased to 2 itime 561289 itsplit 1 - acceleration/energy drift too large 2.67082941489118 - 18.2165021442646 split increased to 2 itime 562627 + acceleration/energy drift too large 7.02633092357363 + 15.3055397784338 split increased to 2 itime 561877 itsplit 1 - acceleration/energy drift too large 19.1025293807872 - 153.690483049860 split increased to 2 itime 562949 +Momenta zeroed out, time 112399.80 + acceleration/energy drift too large 10.1086725057687 + 50.8211129926316 split increased to 2 itime 562320 itsplit 1 + acceleration/energy drift too large 2.50959259805726 + 13.0755326273824 split increased to 4 itime 562320 + itsplit 2 Momenta zeroed out, time 112599.80 - acceleration/energy drift too large 3.67651017341298 - 12.6959479559010 split increased to 2 itime 563148 + acceleration/energy drift too large 5.17460739738121 + 12.3107786099940 split increased to 2 itime 563438 itsplit 1 Momenta zeroed out, time 112799.80 - acceleration/energy drift too large 5.81075696173812 - 31.1427923769492 split increased to 2 itime 564323 - itsplit 1 Momenta zeroed out, time 112999.80 + acceleration/energy drift too large 2.62192693014749 + 10.0015179789607 split increased to 2 itime 565983 + itsplit 1 Momenta zeroed out, time 113199.80 - acceleration/energy drift too large 3.45682809364473 - 11.7135681165302 split increased to 2 itime 566512 + acceleration/energy drift too large 9.06853977536551 + 32.7889742151949 split increased to 2 itime 566972 itsplit 1 Momenta zeroed out, time 113399.80 Momenta zeroed out, time 113599.80 + acceleration/energy drift too large 9.84854092859211 + 46.7815693317970 split increased to 2 itime 568366 + itsplit 1 + acceleration/energy drift too large 4.43836142231277 + 12.1854999740114 split increased to 2 itime 568856 + itsplit 1 Momenta zeroed out, time 113799.80 - acceleration/energy drift too large 5.22115310058109 - 14.3360437460714 split increased to 2 itime 569154 + acceleration/energy drift too large 5.54334387609911 + 16.1589080881610 split increased to 2 itime 569142 itsplit 1 - acceleration/energy drift too large 2.28257352820658 - 12.9313953275484 split increased to 2 itime 569332 + acceleration/energy drift too large 3.34239786670898 + 13.3263331217159 split increased to 2 itime 569779 itsplit 1 - acceleration/energy drift too large 2.65056584953628 - 13.8851019534538 split increased to 2 itime 569963 + acceleration/energy drift too large 5.60255248619365 + 13.4449952178864 split increased to 2 itime 569927 itsplit 1 Velocities reset to random values, time 113999.80 Momenta zeroed out, time 113999.80 - acceleration/energy drift too large 3.08187434339330 - 10.8969852176755 split increased to 2 itime 570224 +Momenta zeroed out, time 114199.80 +Momenta zeroed out, time 114399.80 + acceleration/energy drift too large 3.44901753200830 + 12.3351087755190 split increased to 2 itime 572583 itsplit 1 - acceleration/energy drift too large 1.93170941549489 - 12.2192015821362 split increased to 2 itime 570225 + acceleration/energy drift too large 4.35333598188300 + 14.8396551747483 split increased to 2 itime 572631 itsplit 1 - acceleration/energy drift too large 2.63649239444299 - 10.5168281034095 split increased to 2 itime 570551 +Momenta zeroed out, time 114599.80 + acceleration/energy drift too large 6.24942977375238 + 17.2823122286426 split increased to 2 itime 573464 itsplit 1 - acceleration/energy drift too large 4.67126986714043 - 24.1027666436610 split increased to 2 itime 570913 + acceleration/energy drift too large 6.56404152137256 + 24.3035277480608 split increased to 2 itime 573542 itsplit 1 -Momenta zeroed out, time 114199.80 -Momenta zeroed out, time 114399.80 -Momenta zeroed out, time 114599.80 Momenta zeroed out, time 114799.80 - acceleration/energy drift too large 5.04833539312874 - 10.6058541550342 split increased to 2 itime 574332 + acceleration/energy drift too large 4.20732250028985 + 16.4907952020795 split increased to 2 itime 574160 + itsplit 1 + acceleration/energy drift too large 5.39852353217705 + 13.2951456912597 split increased to 2 itime 574797 itsplit 1 Momenta zeroed out, time 114999.80 -Momenta zeroed out, time 115199.80 - acceleration/energy drift too large 6.24291594603549 - 28.6859937564038 split increased to 2 itime 576793 + acceleration/energy drift too large 8.07818430036622 + 31.1424667400207 split increased to 2 itime 575247 + itsplit 1 + acceleration/energy drift too large 9.82554698162800 + 49.1703696420661 split increased to 2 itime 575541 itsplit 1 +Momenta zeroed out, time 115199.80 Momenta zeroed out, time 115399.80 Momenta zeroed out, time 115599.80 Momenta zeroed out, time 115799.80 + acceleration/energy drift too large 5.36348489047294 + 33.9503448989954 split increased to 2 itime 579552 + itsplit 1 Velocities reset to random values, time 115999.80 Momenta zeroed out, time 115999.80 Momenta zeroed out, time 116199.80 - acceleration/energy drift too large 6.81248850554456 - 31.3574381440629 split increased to 2 itime 581275 - itsplit 1 - acceleration/energy drift too large 4.46945586200322 - 11.3227517564603 split increased to 2 itime 581403 + acceleration/energy drift too large 2.68616415897977 + 12.1435789230469 split increased to 2 itime 581902 itsplit 1 Momenta zeroed out, time 116399.80 - acceleration/energy drift too large 4.73956097629382 - 27.0766431579574 split increased to 2 itime 582097 - itsplit 1 - acceleration/energy drift too large 5.32361013829043 - 12.2109916152672 split increased to 2 itime 582675 + acceleration/energy drift too large 4.52868979265521 + 11.5455353752481 split increased to 2 itime 582454 itsplit 1 Momenta zeroed out, time 116599.80 -Momenta zeroed out, time 116799.80 - acceleration/energy drift too large 13.9677156238372 - 86.3474165023977 split increased to 2 itime 584335 - itsplit 1 - acceleration/energy drift too large 6.66556088166815 - 27.3138345985415 split increased to 2 itime 584349 + acceleration/energy drift too large 6.15415118948674 + 15.5595179964846 split increased to 2 itime 583237 itsplit 1 - acceleration/energy drift too large 2.58856322301196 - 11.4001963739795 split increased to 2 itime 584350 - itsplit 1 - acceleration/energy drift too large 5.69509535942729 - 11.3684555117468 split increased to 2 itime 584375 +Momenta zeroed out, time 116799.80 + acceleration/energy drift too large 4.44989473077449 + 16.8181100477773 split increased to 2 itime 584745 itsplit 1 Momenta zeroed out, time 116999.80 -Momenta zeroed out, time 117199.80 - acceleration/energy drift too large 8.16499217085735 - 32.0038105465822 split increased to 2 itime 586076 + acceleration/energy drift too large 3.62790465330484 + 14.5019514163390 split increased to 2 itime 585739 itsplit 1 - acceleration/energy drift too large 2.71195939170242 - 16.3260266057495 split increased to 2 itime 586077 + acceleration/energy drift too large 4.53522647800294 + 13.0480505814994 split increased to 2 itime 585907 itsplit 1 - acceleration/energy drift too large 5.31667565211431 - 12.5856918824280 split increased to 2 itime 586464 +Momenta zeroed out, time 117199.80 + acceleration/energy drift too large 4.11708248026304 + 15.5256843289179 split increased to 2 itime 586839 itsplit 1 Momenta zeroed out, time 117399.80 - acceleration/energy drift too large 8.30365114527608 - 20.3787260452584 split increased to 2 itime 587423 - itsplit 1 - acceleration/energy drift too large 3.85773833340925 - 11.0866797067498 split increased to 2 itime 587424 - itsplit 1 - acceleration/energy drift too large 3.84650119574810 - 11.6647293108312 split increased to 2 itime 587538 - itsplit 1 Momenta zeroed out, time 117599.80 -Momenta zeroed out, time 117799.80 - acceleration/energy drift too large 4.64706177139148 - 15.5486393950213 split increased to 2 itime 589402 + acceleration/energy drift too large 9.12610503936662 + 32.4122817469392 split increased to 2 itime 588348 itsplit 1 - acceleration/energy drift too large 4.17514034963012 - 15.6017992483964 split increased to 2 itime 589836 + acceleration/energy drift too large 2.78250402430107 + 10.0072482605239 split increased to 2 itime 588840 itsplit 1 +Momenta zeroed out, time 117799.80 Velocities reset to random values, time 117999.80 Momenta zeroed out, time 117999.80 - acceleration/energy drift too large 3.20601732960495 - 11.3894787861150 split increased to 2 itime 590221 - itsplit 1 - acceleration/energy drift too large 3.26574907346858 - 10.6758425950485 split increased to 2 itime 590582 + acceleration/energy drift too large 5.67690981822560 + 17.4150402422524 split increased to 2 itime 590231 itsplit 1 - acceleration/energy drift too large 14.1130949274469 - 73.0820935510520 split increased to 2 itime 590618 + acceleration/energy drift too large 4.26398309194914 + 14.6339058382207 split increased to 2 itime 590602 itsplit 1 Momenta zeroed out, time 118199.80 - acceleration/energy drift too large 4.20463233288246 - 12.2600551465250 split increased to 2 itime 591331 + acceleration/energy drift too large 4.82516984697430 + 11.6049315953651 split increased to 2 itime 591246 itsplit 1 Momenta zeroed out, time 118399.80 - acceleration/energy drift too large 8.81709664281270 - 18.0241841015443 split increased to 2 itime 592232 - itsplit 1 - acceleration/energy drift too large 4.05611153030630 - 26.8365692301189 split increased to 2 itime 592383 - itsplit 1 - acceleration/energy drift too large 3.16040504802896 - 12.7613364066297 split increased to 2 itime 592433 - itsplit 1 - acceleration/energy drift too large 6.21891593792104 - 20.5678440676781 split increased to 2 itime 592990 + acceleration/energy drift too large 2.90012285966852 + 14.6481377440439 split increased to 2 itime 592570 itsplit 1 Momenta zeroed out, time 118599.80 - acceleration/energy drift too large 10.3694257312666 - 59.5562846863079 split increased to 2 itime 593492 + acceleration/energy drift too large 7.65110640274445 + 32.6433482654546 split increased to 2 itime 593253 + itsplit 1 + acceleration/energy drift too large 4.47892130017446 + 10.8743758041934 split increased to 2 itime 593529 itsplit 1 Momenta zeroed out, time 118799.80 - acceleration/energy drift too large 3.20209474073467 - 14.5694301888473 split increased to 2 itime 594038 + acceleration/energy drift too large 3.89788321934472 + 17.9310655715779 split increased to 2 itime 594071 + itsplit 1 + acceleration/energy drift too large 5.93738582309312 + 11.2892454260069 split increased to 2 itime 594498 itsplit 1 Momenta zeroed out, time 118999.80 -Momenta zeroed out, time 119199.80 -Momenta zeroed out, time 119399.80 - acceleration/energy drift too large 5.26517755914717 - 15.1186571548435 split increased to 2 itime 597275 + acceleration/energy drift too large 6.89955578148431 + 34.2648964640936 split increased to 2 itime 595460 itsplit 1 -Momenta zeroed out, time 119599.80 - acceleration/energy drift too large 10.6051611523035 - 43.6746989499313 split increased to 2 itime 598545 + acceleration/energy drift too large 4.13741407795751 + 11.7693446210751 split increased to 2 itime 595808 itsplit 1 - acceleration/energy drift too large 5.73846306505025 - 30.6526164954030 split increased to 2 itime 598817 + acceleration/energy drift too large 5.26713715127408 + 17.5426949383354 split increased to 2 itime 595934 itsplit 1 -Momenta zeroed out, time 119799.80 - acceleration/energy drift too large 3.22534425381114 - 11.0246102186547 split increased to 2 itime 599115 +Momenta zeroed out, time 119199.80 + acceleration/energy drift too large 13.3508494833520 + 76.6695792327059 split increased to 2 itime 596522 itsplit 1 - acceleration/energy drift too large 5.53253859258995 - 38.0093759775692 split increased to 2 itime 599147 + acceleration/energy drift too large 1.70504867499900 + 20.6164842497598 split increased to 2 itime 596523 itsplit 1 - acceleration/energy drift too large 5.39412442311211 - 12.4448257679906 split increased to 2 itime 599657 + acceleration/energy drift too large 4.36977968142758 + 21.1489365167059 split increased to 2 itime 596858 + itsplit 1 +Momenta zeroed out, time 119399.80 +Momenta zeroed out, time 119599.80 + acceleration/energy drift too large 6.87531799535231 + 18.0642291629552 split increased to 2 itime 598173 itsplit 1 +Momenta zeroed out, time 119799.80 Velocities reset to random values, time 119999.80 Momenta zeroed out, time 119999.80 - acceleration/energy drift too large 5.95542601330167 - 16.3360196722383 split increased to 2 itime 600544 - itsplit 1 Momenta zeroed out, time 120199.80 Momenta zeroed out, time 120399.80 - acceleration/energy drift too large 4.60285854865865 - 18.9225355097298 split increased to 2 itime 602841 + acceleration/energy drift too large 4.33527973440534 + 11.4824969434941 split increased to 2 itime 602749 itsplit 1 Momenta zeroed out, time 120599.80 - acceleration/energy drift too large 10.9100411859079 - 62.6716336643832 split increased to 2 itime 603234 - itsplit 1 Momenta zeroed out, time 120799.80 - acceleration/energy drift too large 8.70292286144718 - 35.5792193304175 split increased to 2 itime 604078 - itsplit 1 - acceleration/energy drift too large 4.34069498998166 - 15.2180086706575 split increased to 2 itime 604453 + acceleration/energy drift too large 3.50810195225143 + 21.7529290047870 split increased to 2 itime 604590 itsplit 1 Momenta zeroed out, time 120999.80 - acceleration/energy drift too large 3.58583511867002 - 13.1497213321157 split increased to 2 itime 605078 - itsplit 1 - acceleration/energy drift too large 5.32887528528780 - 27.1564986963986 split increased to 2 itime 605249 + acceleration/energy drift too large 7.46385992701601 + 26.4352410916984 split increased to 2 itime 605783 itsplit 1 Momenta zeroed out, time 121199.80 - acceleration/energy drift too large 4.03288050553239 - 11.2827735022282 split increased to 2 itime 606161 - itsplit 1 Momenta zeroed out, time 121399.80 - acceleration/energy drift too large 3.92427579061631 - 20.7511390903709 split increased to 2 itime 607126 - itsplit 1 - acceleration/energy drift too large 7.77129139548034 - 28.9576614107994 split increased to 2 itime 607172 - itsplit 1 - acceleration/energy drift too large 8.55794932260634 - 38.6655402299235 split increased to 2 itime 607261 - itsplit 1 - acceleration/energy drift too large 4.70953283548962 - 11.2791842937503 split increased to 2 itime 607577 + acceleration/energy drift too large 4.23620819551392 + 14.6203977137440 split increased to 2 itime 607775 itsplit 1 Momenta zeroed out, time 121599.80 -Momenta zeroed out, time 121799.80 - acceleration/energy drift too large 4.49116779286294 - 10.7460134897967 split increased to 2 itime 609152 - itsplit 1 - acceleration/energy drift too large 6.61067772428560 - 34.6318374070074 split increased to 2 itime 609265 + acceleration/energy drift too large 10.2722052331692 + 65.5512820162675 split increased to 2 itime 608934 itsplit 1 - acceleration/energy drift too large 13.0669793664025 - 82.4613559438606 split increased to 2 itime 609879 +Momenta zeroed out, time 121799.80 + acceleration/energy drift too large 7.27315541124699 + 20.1947868638696 split increased to 2 itime 609010 itsplit 1 Velocities reset to random values, time 121999.80 Momenta zeroed out, time 121999.80 + acceleration/energy drift too large 3.55835196953281 + 16.0278500365243 split increased to 2 itime 610082 + itsplit 1 + acceleration/energy drift too large 4.75875828061761 + 18.6714546158210 split increased to 2 itime 610809 + itsplit 1 Momenta zeroed out, time 122199.80 - acceleration/energy drift too large 3.37017093712063 - 10.5217014289605 split increased to 2 itime 611043 + acceleration/energy drift too large 9.10687632058103 + 35.9981440507261 split increased to 2 itime 611504 itsplit 1 -Momenta zeroed out, time 122399.80 - acceleration/energy drift too large 4.71799770442886 - 20.2014842978923 split increased to 2 itime 612170 + acceleration/energy drift too large 6.82963889402572 + 14.5060906806609 split increased to 2 itime 611505 itsplit 1 + acceleration/energy drift too large 3.60216823673319 + 10.6748903632933 split increased to 2 itime 611806 + itsplit 1 +Momenta zeroed out, time 122399.80 Momenta zeroed out, time 122599.80 - acceleration/energy drift too large 4.70321319313772 - 12.1359561586759 split increased to 2 itime 613106 + acceleration/energy drift too large 4.26651266668661 + 13.6550270609505 split increased to 2 itime 613318 itsplit 1 Momenta zeroed out, time 122799.80 Momenta zeroed out, time 122999.80 - acceleration/energy drift too large 2.79555133713661 - 17.2315082555548 split increased to 2 itime 615253 - itsplit 1 - acceleration/energy drift too large 4.77947987892594 - 18.0139796937551 split increased to 2 itime 615461 - itsplit 1 - acceleration/energy drift too large 6.04696937863075 - 27.5317136956140 split increased to 2 itime 615503 - itsplit 1 Momenta zeroed out, time 123199.80 -Momenta zeroed out, time 123399.80 - acceleration/energy drift too large 5.74185674971666 - 14.8804527255626 split increased to 2 itime 617064 + acceleration/energy drift too large 2.89237617581976 + 13.8854524497591 split increased to 2 itime 616133 itsplit 1 - acceleration/energy drift too large 5.84787532517791 - 18.4107320590273 split increased to 2 itime 617756 - itsplit 1 - acceleration/energy drift too large 5.59202238956779 - 13.5669264638488 split increased to 2 itime 617970 + acceleration/energy drift too large 4.01060689288192 + 17.2427221891040 split increased to 2 itime 616285 itsplit 1 +Momenta zeroed out, time 123399.80 Momenta zeroed out, time 123599.80 - acceleration/energy drift too large 13.2558293867606 - 87.0373151610890 split increased to 2 itime 618529 + acceleration/energy drift too large 6.24681300339586 + 15.7514340754774 split increased to 2 itime 618031 itsplit 1 - acceleration/energy drift too large 3.70490205828975 - 13.8188853624580 split increased to 2 itime 618882 + acceleration/energy drift too large 5.63744368849656 + 15.2661895144159 split increased to 2 itime 618628 itsplit 1 Momenta zeroed out, time 123799.80 - acceleration/energy drift too large 3.48265510153154 - 21.4553858956432 split increased to 2 itime 619472 + acceleration/energy drift too large 3.20355478992425 + 11.3924130305212 split increased to 2 itime 619133 itsplit 1 - acceleration/energy drift too large 3.78996066169697 - 13.0990383436710 split increased to 2 itime 619490 + acceleration/energy drift too large 6.89674041628752 + 23.0189854238904 split increased to 2 itime 619387 + itsplit 1 + acceleration/energy drift too large 7.68585992192767 + 27.8779716102146 split increased to 2 itime 619989 itsplit 1 Velocities reset to random values, time 123999.80 Momenta zeroed out, time 123999.80 - acceleration/energy drift too large 3.58284074421733 - 24.8149074029365 split increased to 2 itime 620215 + acceleration/energy drift too large 16.1706767118071 + 108.634686194053 split increased to 2 itime 620586 + itsplit 1 + acceleration/energy drift too large 5.04740538348703 + 11.6136894532081 split increased to 2 itime 620928 itsplit 1 Momenta zeroed out, time 124199.80 - acceleration/energy drift too large 4.85352987351693 - 27.9187079052482 split increased to 2 itime 621102 + acceleration/energy drift too large 5.11059724487684 + 37.0575943291977 split increased to 2 itime 621164 + itsplit 1 + acceleration/energy drift too large 5.74277985753852 + 17.9402688903400 split increased to 2 itime 621561 + itsplit 1 + acceleration/energy drift too large 9.90150977349268 + 51.5476886699613 split increased to 2 itime 621624 itsplit 1 Momenta zeroed out, time 124399.80 + acceleration/energy drift too large 4.89032737061943 + 13.9076750021215 split increased to 2 itime 622932 + itsplit 1 Momenta zeroed out, time 124599.80 - acceleration/energy drift too large 6.76453028685994 - 23.0577640970497 split increased to 2 itime 623458 + acceleration/energy drift too large 5.00582015794728 + 16.1571515023701 split increased to 2 itime 623258 + itsplit 1 + acceleration/energy drift too large 3.14820699841240 + 14.4371767523875 split increased to 2 itime 623718 itsplit 1 - acceleration/energy drift too large 1.99938603738895 - 11.1679487002104 split increased to 2 itime 623459 + acceleration/energy drift too large 11.2341257480931 + 46.9895153077086 split increased to 2 itime 623840 itsplit 1 Momenta zeroed out, time 124799.80 Momenta zeroed out, time 124999.80 - acceleration/energy drift too large 5.00168705675855 - 23.3324917285403 split increased to 2 itime 625232 + acceleration/energy drift too large 4.41278131468111 + 15.1294056390415 split increased to 2 itime 625814 itsplit 1 - acceleration/energy drift too large 7.84484835143841 - 18.5068423432016 split increased to 2 itime 625243 + acceleration/energy drift too large 2.62068215327456 + 10.4422648596404 split increased to 2 itime 625815 itsplit 1 Momenta zeroed out, time 125199.80 - acceleration/energy drift too large 6.25211184200423 - 21.6847974383161 split increased to 2 itime 626923 + acceleration/energy drift too large 7.21331226950660 + 11.5399642337860 split increased to 2 itime 626424 itsplit 1 Momenta zeroed out, time 125399.80 - acceleration/energy drift too large 5.32432354716592 - 26.3117809740915 split increased to 2 itime 627141 - itsplit 1 - acceleration/energy drift too large 4.96512210639538 - 11.4791473088914 split increased to 2 itime 627495 - itsplit 1 Momenta zeroed out, time 125599.80 - acceleration/energy drift too large 9.70609217174982 - 41.2625209985686 split increased to 2 itime 628455 - itsplit 1 - acceleration/energy drift too large 6.09844010059083 - 11.2620272091583 split increased to 2 itime 628472 - itsplit 1 - acceleration/energy drift too large 5.58334081501089 - 12.9355832623423 split increased to 2 itime 628821 + acceleration/energy drift too large 3.31358688726769 + 21.3003966337354 split increased to 2 itime 628583 itsplit 1 Momenta zeroed out, time 125799.80 - acceleration/energy drift too large 14.0138364652808 - 91.5293837765628 split increased to 2 itime 629783 + acceleration/energy drift too large 2.26088520505448 + 10.3863954590164 split increased to 2 itime 629939 itsplit 1 Velocities reset to random values, time 125999.80 Momenta zeroed out, time 125999.80 - acceleration/energy drift too large 3.37012308270156 - 14.2453363095715 split increased to 2 itime 630862 + acceleration/energy drift too large 9.55587822130099 + 41.9625970165866 split increased to 2 itime 630361 itsplit 1 - acceleration/energy drift too large 4.50120482562706 - 15.6901481978898 split increased to 2 itime 630937 + acceleration/energy drift too large 5.61330817725236 + 26.3749173834822 split increased to 2 itime 630519 itsplit 1 Momenta zeroed out, time 126199.80 - acceleration/energy drift too large 4.89827624397865 - 10.0574613011188 split increased to 2 itime 631867 + acceleration/energy drift too large 2.48834842835585 + 15.1002446927091 split increased to 2 itime 631244 itsplit 1 Momenta zeroed out, time 126399.80 - acceleration/energy drift too large 5.51441376454116 - 27.3971124662177 split increased to 2 itime 632024 + acceleration/energy drift too large 6.86692169512644 + 27.1300005429564 split increased to 2 itime 632871 itsplit 1 -Momenta zeroed out, time 126599.80 - acceleration/energy drift too large 5.38707828113511 - 12.9835190794034 split increased to 2 itime 633470 + acceleration/energy drift too large 1.93666709479790 + 10.8512791342753 split increased to 2 itime 632872 itsplit 1 +Momenta zeroed out, time 126599.80 Momenta zeroed out, time 126799.80 - acceleration/energy drift too large 4.78790803410640 - 11.0322929753131 split increased to 2 itime 634337 + acceleration/energy drift too large 3.10664511509467 + 10.5221077915243 split increased to 2 itime 634348 itsplit 1 Momenta zeroed out, time 126999.80 - acceleration/energy drift too large 6.63437286313291 - 30.5330962561458 split increased to 2 itime 635130 - itsplit 1 - acceleration/energy drift too large 6.87848426805978 - 36.5250922855660 split increased to 2 itime 635219 - itsplit 1 Momenta zeroed out, time 127199.80 - acceleration/energy drift too large 4.34002030608213 - 18.5074579239446 split increased to 2 itime 636059 - itsplit 1 - acceleration/energy drift too large 5.70627503150456 - 22.2063308766069 split increased to 2 itime 636234 - itsplit 1 - acceleration/energy drift too large 5.40141888227686 - 22.1062666556640 split increased to 2 itime 636608 + acceleration/energy drift too large 3.27613558280672 + 10.7128285977314 split increased to 2 itime 636763 itsplit 1 Momenta zeroed out, time 127399.80 - acceleration/energy drift too large 2.54115912472378 - 20.1418011416195 split increased to 2 itime 637067 - itsplit 1 - acceleration/energy drift too large 4.51427873848656 - 14.7468919676556 split increased to 2 itime 637785 - itsplit 1 Momenta zeroed out, time 127599.80 - acceleration/energy drift too large 2.07605817353883 - 11.1549483833856 split increased to 2 itime 638455 - itsplit 1 - acceleration/energy drift too large 3.98747009434191 - 16.7334887601733 split increased to 2 itime 638481 - itsplit 1 Momenta zeroed out, time 127799.80 Velocities reset to random values, time 127999.80 Momenta zeroed out, time 127999.80 Momenta zeroed out, time 128199.80 - acceleration/energy drift too large 10.9751509381160 - 50.9243392708706 split increased to 2 itime 641186 + acceleration/energy drift too large 3.36610991152720 + 12.6933504174708 split increased to 2 itime 641335 itsplit 1 - acceleration/energy drift too large 2.67278937249816 - 11.8830557206575 split increased to 4 itime 641186 - itsplit 2 - acceleration/energy drift too large 3.04167660234475 - 19.1296654238812 split increased to 2 itime 641729 + acceleration/energy drift too large 4.70389724613615 + 14.8231388008226 split increased to 2 itime 641519 itsplit 1 Momenta zeroed out, time 128399.80 - acceleration/energy drift too large 5.70207070122570 - 14.1830962745444 split increased to 2 itime 642836 - itsplit 1 Momenta zeroed out, time 128599.80 - acceleration/energy drift too large 6.65384225914066 - 14.2602649838877 split increased to 2 itime 643007 - itsplit 1 -Momenta zeroed out, time 128799.80 -Momenta zeroed out, time 128999.80 - acceleration/energy drift too large 6.26703750268559 - 14.0237584668712 split increased to 2 itime 645187 + acceleration/energy drift too large 11.7363114788923 + 50.0821394222150 split increased to 2 itime 643182 itsplit 1 - acceleration/energy drift too large 4.91350397959603 - 25.8095865235581 split increased to 2 itime 645799 + acceleration/energy drift too large 3.94757220300205 + 11.9384625359160 split increased to 2 itime 643313 itsplit 1 - acceleration/energy drift too large 4.55809112139375 - 17.2653582320697 split increased to 2 itime 645975 + acceleration/energy drift too large 6.29336277155700 + 20.5628776311662 split increased to 2 itime 643672 itsplit 1 +Momenta zeroed out, time 128799.80 +Momenta zeroed out, time 128999.80 Momenta zeroed out, time 129199.80 - acceleration/energy drift too large 5.88953182191796 - 24.4175097462279 split increased to 2 itime 646189 + acceleration/energy drift too large 3.64008328642218 + 11.5374866159177 split increased to 2 itime 646387 itsplit 1 Momenta zeroed out, time 129399.80 - acceleration/energy drift too large 6.21018916570362 - 13.9220658565079 split increased to 2 itime 647024 + acceleration/energy drift too large 4.93768314446501 + 38.1032600177228 split increased to 2 itime 647226 itsplit 1 - acceleration/energy drift too large 5.28628342828089 - 12.5467687687002 split increased to 2 itime 647052 + acceleration/energy drift too large 8.16903631285935 + 28.1753406048166 split increased to 2 itime 647324 itsplit 1 Momenta zeroed out, time 129599.80 Momenta zeroed out, time 129799.80 - acceleration/energy drift too large 4.92765489054761 - 15.4752621292441 split increased to 2 itime 649536 + acceleration/energy drift too large 5.35137366937424 + 11.4684995207310 split increased to 2 itime 649185 + itsplit 1 + acceleration/energy drift too large 5.97141329162111 + 18.2017931762769 split increased to 2 itime 649402 itsplit 1 - acceleration/energy drift too large 5.35199766228471 - 12.8797943833982 split increased to 2 itime 649957 + acceleration/energy drift too large 4.50509927609958 + 14.8417450466538 split increased to 2 itime 649446 + itsplit 1 + acceleration/energy drift too large 4.57755695695855 + 24.1761586116402 split increased to 2 itime 649449 + itsplit 1 + acceleration/energy drift too large 4.40483441134757 + 15.9300456640412 split increased to 2 itime 649474 itsplit 1 Velocities reset to random values, time 129999.80 Momenta zeroed out, time 129999.80 - acceleration/energy drift too large 5.82771853869909 - 22.5788669805095 split increased to 2 itime 650781 +Momenta zeroed out, time 130199.80 + acceleration/energy drift too large 3.27470408702008 + 11.4128348927176 split increased to 2 itime 651511 itsplit 1 - acceleration/energy drift too large 6.98773998011595 - 15.0109854708234 split increased to 2 itime 650829 + acceleration/energy drift too large 6.50150402319328 + 49.8348640522780 split increased to 2 itime 651538 itsplit 1 -Momenta zeroed out, time 130199.80 - acceleration/energy drift too large 3.71046625323079 - 15.4601799348989 split increased to 2 itime 651177 + acceleration/energy drift too large 4.73575996554609 + 14.2097583484291 split increased to 2 itime 651549 itsplit 1 -Momenta zeroed out, time 130399.80 - acceleration/energy drift too large 13.2994772400791 - 73.1684509917666 split increased to 2 itime 652903 + acceleration/energy drift too large 2.77491636859871 + 21.4343821192977 split increased to 2 itime 651672 itsplit 1 +Momenta zeroed out, time 130399.80 Momenta zeroed out, time 130599.80 + acceleration/energy drift too large 3.70580568528719 + 20.1399288269881 split increased to 2 itime 653172 + itsplit 1 + acceleration/energy drift too large 4.06495018219307 + 11.0407216017396 split increased to 2 itime 653720 + itsplit 1 Momenta zeroed out, time 130799.80 - acceleration/energy drift too large 3.93185312947540 - 12.0501609066217 split increased to 2 itime 654749 + acceleration/energy drift too large 2.35447846352579 + 13.8509101731450 split increased to 2 itime 654191 itsplit 1 Momenta zeroed out, time 130999.80 Momenta zeroed out, time 131199.80 -Momenta zeroed out, time 131399.80 - acceleration/energy drift too large 3.63342696047146 - 10.5528223985509 split increased to 2 itime 657579 + acceleration/energy drift too large 4.23709118684049 + 12.1980650134746 split increased to 2 itime 656566 itsplit 1 +Momenta zeroed out, time 131399.80 Momenta zeroed out, time 131599.80 - acceleration/energy drift too large 3.96597221723217 - 12.4817878689542 split increased to 2 itime 658031 - itsplit 1 - acceleration/energy drift too large 4.79439077329366 - 20.8830347547619 split increased to 2 itime 658658 - itsplit 1 - acceleration/energy drift too large 3.94053599676777 - 14.5939771474245 split increased to 2 itime 658763 - itsplit 1 - acceleration/energy drift too large 5.22956733549364 - 11.6584952193427 split increased to 2 itime 658915 + acceleration/energy drift too large 4.68270067724275 + 13.7313786062675 split increased to 2 itime 658354 itsplit 1 Momenta zeroed out, time 131799.80 - acceleration/energy drift too large 5.31369788744753 - 18.5846518593157 split increased to 2 itime 659057 - itsplit 1 - acceleration/energy drift too large 2.71882189189116 - 10.0442691474416 split increased to 2 itime 659060 + acceleration/energy drift too large 8.73324072331471 + 44.6050145330339 split increased to 2 itime 659600 itsplit 1 - acceleration/energy drift too large 6.60654520644438 - 26.0391685834815 split increased to 2 itime 659451 + acceleration/energy drift too large 2.98921243546537 + 10.7794677494745 split increased to 2 itime 659623 itsplit 1 Velocities reset to random values, time 131999.80 Momenta zeroed out, time 131999.80 Momenta zeroed out, time 132199.80 - acceleration/energy drift too large 1.91204714679597 - 10.8089433026934 split increased to 2 itime 661666 - itsplit 1 Momenta zeroed out, time 132399.80 - acceleration/energy drift too large 10.6306518646280 - 58.9639430563406 split increased to 2 itime 662744 - itsplit 1 - acceleration/energy drift too large 2.94991729232857 - 17.0397383000284 split increased to 4 itime 662744 - itsplit 1 Momenta zeroed out, time 132599.80 - acceleration/energy drift too large 10.3585695367542 - 51.7381616706153 split increased to 2 itime 663581 + acceleration/energy drift too large 4.95331639923714 + 16.2284030225176 split increased to 2 itime 663252 itsplit 1 - acceleration/energy drift too large 2.63466802354847 - 14.8874415080015 split increased to 4 itime 663581 - itsplit 2 Momenta zeroed out, time 132799.80 - acceleration/energy drift too large 7.55580005219060 - 24.9279570398147 split increased to 2 itime 664069 - itsplit 1 Momenta zeroed out, time 132999.80 - acceleration/energy drift too large 5.12951815069727 - 11.8770844582255 split increased to 2 itime 665547 + acceleration/energy drift too large 5.71308922852022 + 20.4592066835125 split increased to 2 itime 665490 itsplit 1 - acceleration/energy drift too large 6.70244580731336 - 23.7859651753031 split increased to 2 itime 665648 + acceleration/energy drift too large 5.71204757524561 + 10.3518459930274 split increased to 2 itime 665617 itsplit 1 -Momenta zeroed out, time 133199.80 - acceleration/energy drift too large 3.66937206865209 - 12.4167471047929 split increased to 2 itime 666393 + acceleration/energy drift too large 4.87881504184021 + 11.3118744129859 split increased to 2 itime 665670 itsplit 1 +Momenta zeroed out, time 133199.80 Momenta zeroed out, time 133399.80 Momenta zeroed out, time 133599.80 - acceleration/energy drift too large 9.46948236987941 - 52.6049280496969 split increased to 2 itime 668679 - itsplit 1 - acceleration/energy drift too large 2.65397922158786 - 10.6257968949194 split increased to 2 itime 668772 - itsplit 1 Momenta zeroed out, time 133799.80 - acceleration/energy drift too large 5.36423524268192 - 21.3380247623837 split increased to 2 itime 669172 - itsplit 1 - acceleration/energy drift too large 6.26420739695451 - 22.1028023377106 split increased to 2 itime 669999 + acceleration/energy drift too large 11.5751687892766 + 64.8712357135840 split increased to 2 itime 669882 itsplit 1 Velocities reset to random values, time 133999.80 Momenta zeroed out, time 133999.80 - acceleration/energy drift too large 10.6309366294430 - 51.0665374843811 split increased to 2 itime 670152 +Momenta zeroed out, time 134199.80 + acceleration/energy drift too large 4.46517070675772 + 10.5871347137303 split increased to 2 itime 671172 itsplit 1 - acceleration/energy drift too large 6.34353353018598 - 45.3196176628270 split increased to 2 itime 670367 + acceleration/energy drift too large 3.63048483447638 + 11.2441493743658 split increased to 2 itime 671542 itsplit 1 -Momenta zeroed out, time 134199.80 Momenta zeroed out, time 134399.80 - acceleration/energy drift too large 9.58026158194099 - 38.9728702191225 split increased to 2 itime 672124 - itsplit 1 Momenta zeroed out, time 134599.80 + acceleration/energy drift too large 6.00255858626103 + 15.4789824291830 split increased to 2 itime 673123 + itsplit 1 + acceleration/energy drift too large 10.7117334568804 + 53.1658425708611 split increased to 2 itime 673454 + itsplit 1 Momenta zeroed out, time 134799.80 - acceleration/energy drift too large 6.55195944231350 - 17.1870888026305 split increased to 2 itime 674694 + acceleration/energy drift too large 10.5149268826345 + 38.3283269179522 split increased to 2 itime 674629 itsplit 1 -Momenta zeroed out, time 134999.80 - acceleration/energy drift too large 7.10962356494247 - 26.6922163776317 split increased to 2 itime 675022 + acceleration/energy drift too large 3.47403153295295 + 11.0892525060570 split increased to 2 itime 674741 itsplit 1 - acceleration/energy drift too large 4.83578711131850 - 11.5173239815020 split increased to 2 itime 675457 + acceleration/energy drift too large 3.98108225112709 + 10.6561825826189 split increased to 2 itime 674800 itsplit 1 +Momenta zeroed out, time 134999.80 Momenta zeroed out, time 135199.80 - acceleration/energy drift too large 8.11569376089371 - 31.2483537803696 split increased to 2 itime 676281 + acceleration/energy drift too large 3.58975740056857 + 10.6632950524014 split increased to 2 itime 676543 itsplit 1 - acceleration/energy drift too large 6.64574678946904 - 27.7312155887656 split increased to 2 itime 676907 + acceleration/energy drift too large 4.12272961833269 + 11.8358904440189 split increased to 2 itime 676925 itsplit 1 - acceleration/energy drift too large 7.04162921249591 - 14.5683720740810 split increased to 2 itime 676917 + acceleration/energy drift too large 5.82095150091412 + 27.5643860210344 split increased to 2 itime 676981 itsplit 1 Momenta zeroed out, time 135399.80 - acceleration/energy drift too large 5.02468480025372 - 15.4227732918282 split increased to 2 itime 677414 - itsplit 1 - acceleration/energy drift too large 7.25495339009474 - 25.3705436518917 split increased to 2 itime 677973 - itsplit 1 - acceleration/energy drift too large 3.54872105718674 - 14.1188944274831 split increased to 2 itime 677974 - itsplit 1 - acceleration/energy drift too large 5.74133239945334 - 13.2013726933761 split increased to 2 itime 677999 + acceleration/energy drift too large 6.66130523490238 + 20.6463697321729 split increased to 2 itime 677930 itsplit 1 Momenta zeroed out, time 135599.80 - acceleration/energy drift too large 3.62465932307874 - 19.6657947389434 split increased to 2 itime 678470 - itsplit 1 - acceleration/energy drift too large 3.63035027843903 - 13.9836395683116 split increased to 2 itime 678935 + acceleration/energy drift too large 5.83581954411679 + 14.7352883214446 split increased to 2 itime 678451 itsplit 1 Momenta zeroed out, time 135799.80 + acceleration/energy drift too large 4.15673067401032 + 11.2343649267580 split increased to 2 itime 679020 + itsplit 1 + acceleration/energy drift too large 5.16657950229387 + 19.4856038215081 split increased to 2 itime 679578 + itsplit 1 Velocities reset to random values, time 135999.80 Momenta zeroed out, time 135999.80 - acceleration/energy drift too large 6.98730609027280 - 23.4861168834791 split increased to 2 itime 680190 + acceleration/energy drift too large 4.76304552946264 + 12.4920531856753 split increased to 2 itime 680023 itsplit 1 Momenta zeroed out, time 136199.80 - acceleration/energy drift too large 4.50922773887438 - 19.3016956289103 split increased to 2 itime 681337 - itsplit 1 - acceleration/energy drift too large 4.88339486047197 - 13.0181078784327 split increased to 2 itime 681521 + acceleration/energy drift too large 5.71132202381069 + 17.1919432857446 split increased to 2 itime 681343 itsplit 1 Momenta zeroed out, time 136399.80 - acceleration/energy drift too large 3.92593260964850 - 17.1165412773346 split increased to 2 itime 682421 + acceleration/energy drift too large 6.61796401451406 + 23.1625671354845 split increased to 2 itime 682604 itsplit 1 Momenta zeroed out, time 136599.80 + acceleration/energy drift too large 5.55191450229326 + 22.0088834054981 split increased to 2 itime 683905 + itsplit 1 Momenta zeroed out, time 136799.80 - acceleration/energy drift too large 3.60628326113892 - 21.1409946604825 split increased to 2 itime 684820 + acceleration/energy drift too large 13.4746740717722 + 73.9400966351423 split increased to 2 itime 684761 itsplit 1 Momenta zeroed out, time 136999.80 - acceleration/energy drift too large 5.27298544157036 - 15.4541999554671 split increased to 2 itime 685236 - itsplit 1 Momenta zeroed out, time 137199.80 Momenta zeroed out, time 137399.80 - acceleration/energy drift too large 5.51142553579527 - 13.1161872084947 split increased to 2 itime 687348 + acceleration/energy drift too large 5.82984421599762 + 19.3567156504487 split increased to 2 itime 687109 itsplit 1 - acceleration/energy drift too large 3.90434730441867 - 10.9655074854611 split increased to 2 itime 687815 + acceleration/energy drift too large 4.52952082396653 + 17.1915814429319 split increased to 2 itime 687943 itsplit 1 Momenta zeroed out, time 137599.80 - acceleration/energy drift too large 7.56523263868812 - 49.9738818239422 split increased to 2 itime 688724 + acceleration/energy drift too large 7.45969986703688 + 33.9938477160305 split increased to 2 itime 688723 itsplit 1 Momenta zeroed out, time 137799.80 - acceleration/energy drift too large 6.89910231346824 - 18.3018138864210 split increased to 2 itime 689127 - itsplit 1 Velocities reset to random values, time 137999.80 Momenta zeroed out, time 137999.80 - acceleration/energy drift too large 3.97453659557434 - 29.3113078444301 split increased to 2 itime 690692 + acceleration/energy drift too large 2.67416941732871 + 12.8234505662313 split increased to 2 itime 690903 itsplit 1 Momenta zeroed out, time 138199.80 - acceleration/energy drift too large 3.40800880994440 - 13.5264383873888 split increased to 2 itime 691603 + acceleration/energy drift too large 4.38217089913952 + 16.6561055356901 split increased to 2 itime 691745 itsplit 1 - acceleration/energy drift too large 3.59626591359820 - 13.2511409797255 split increased to 2 itime 691961 + acceleration/energy drift too large 5.08155981344023 + 12.1129319902192 split increased to 2 itime 691782 itsplit 1 Momenta zeroed out, time 138399.80 Momenta zeroed out, time 138599.80 -Momenta zeroed out, time 138799.80 - acceleration/energy drift too large 4.52784220444873 - 16.9138032480128 split increased to 2 itime 694284 + acceleration/energy drift too large 5.43385957185735 + 12.3339729220684 split increased to 2 itime 693853 itsplit 1 - acceleration/energy drift too large 3.59219920805098 - 11.7202869698157 split increased to 2 itime 694528 + acceleration/energy drift too large 4.38126693802389 + 21.0850841742057 split increased to 2 itime 693868 itsplit 1 - acceleration/energy drift too large 6.76932563448766 - 10.2647633587088 split increased to 2 itime 694963 +Momenta zeroed out, time 138799.80 + acceleration/energy drift too large 5.58473167109669 + 22.8118017277645 split increased to 2 itime 694446 itsplit 1 -Momenta zeroed out, time 138999.80 - acceleration/energy drift too large 3.88763605921965 - 11.0652433396658 split increased to 2 itime 695541 + acceleration/energy drift too large 8.47948310966502 + 30.2220660389794 split increased to 2 itime 694910 itsplit 1 - acceleration/energy drift too large 8.79491160087030 - 16.0405296644086 split increased to 2 itime 695882 + acceleration/energy drift too large 2.66354497156678 + 15.7417501085641 split increased to 2 itime 694911 itsplit 1 +Momenta zeroed out, time 138999.80 Momenta zeroed out, time 139199.80 - acceleration/energy drift too large 7.64389119813304 - 26.2418078441650 split increased to 2 itime 696876 + acceleration/energy drift too large 5.33439437432697 + 21.8930489078357 split increased to 2 itime 696290 itsplit 1 Momenta zeroed out, time 139399.80 Momenta zeroed out, time 139599.80 - acceleration/energy drift too large 3.67282252409908 - 14.4356677762444 split increased to 2 itime 698251 + acceleration/energy drift too large 4.14600744017928 + 11.8450066972645 split increased to 2 itime 698304 + itsplit 1 + acceleration/energy drift too large 5.07172241850899 + 10.1211647379226 split increased to 2 itime 698484 itsplit 1 Momenta zeroed out, time 139799.80 - acceleration/energy drift too large 9.70684662750459 - 37.9268564396933 split increased to 2 itime 699854 + acceleration/energy drift too large 2.34277305888915 + 10.7849965893403 split increased to 2 itime 699591 itsplit 1 Velocities reset to random values, time 139999.80 Momenta zeroed out, time 139999.80 - acceleration/energy drift too large 3.27608564577758 - 13.4755176440422 split increased to 2 itime 700195 + acceleration/energy drift too large 6.26002561738804 + 29.5275960636109 split increased to 2 itime 700349 itsplit 1 - acceleration/energy drift too large 5.47329898631481 - 35.2188641769297 split increased to 2 itime 700537 +Momenta zeroed out, time 140199.80 + acceleration/energy drift too large 4.92589739176861 + 18.0281348496299 split increased to 2 itime 701484 itsplit 1 - acceleration/energy drift too large 5.20432834093803 - 13.6861339746344 split increased to 2 itime 700979 + acceleration/energy drift too large 4.22199344697767 + 11.6215727114040 split increased to 2 itime 701720 itsplit 1 -Momenta zeroed out, time 140199.80 Momenta zeroed out, time 140399.80 - acceleration/energy drift too large 5.33655778860844 - 27.6088990590439 split increased to 2 itime 702040 + acceleration/energy drift too large 5.87632236788862 + 12.7957863035575 split increased to 2 itime 702381 itsplit 1 - acceleration/energy drift too large 4.60406044249773 - 14.2684131292574 split increased to 2 itime 702125 + acceleration/energy drift too large 3.04709483203270 + 21.2375270627589 split increased to 2 itime 702933 itsplit 1 Momenta zeroed out, time 140599.80 - acceleration/energy drift too large 9.40064041520360 - 35.9833934743507 split increased to 2 itime 703009 + acceleration/energy drift too large 2.08311154383349 + 13.0458796874572 split increased to 2 itime 703052 itsplit 1 -Momenta zeroed out, time 140799.80 - acceleration/energy drift too large 5.37579859181647 - 13.8244508723421 split increased to 2 itime 704126 - itsplit 1 - acceleration/energy drift too large 4.53917556476485 - 10.8631264753323 split increased to 2 itime 704725 + acceleration/energy drift too large 4.93323804999259 + 17.0279341660089 split increased to 2 itime 703170 itsplit 1 -Momenta zeroed out, time 140999.80 - acceleration/energy drift too large 5.27930240585096 - 15.4079142025361 split increased to 2 itime 705356 + acceleration/energy drift too large 7.47461391708269 + 25.3045242356593 split increased to 2 itime 703757 itsplit 1 - acceleration/energy drift too large 5.15501665589962 - 13.9314205609791 split increased to 2 itime 705697 +Momenta zeroed out, time 140799.80 + acceleration/energy drift too large 4.01594099947527 + 10.7702287872810 split increased to 2 itime 704207 itsplit 1 +Momenta zeroed out, time 140999.80 Momenta zeroed out, time 141199.80 - acceleration/energy drift too large 10.6431334016292 - 39.4011753338140 split increased to 2 itime 706718 - itsplit 1 - acceleration/energy drift too large 4.59073533274715 - 12.6972208019884 split increased to 2 itime 706719 + acceleration/energy drift too large 6.89708451043255 + 37.1486846171093 split increased to 2 itime 706580 itsplit 1 Momenta zeroed out, time 141399.80 - acceleration/energy drift too large 6.05469716188117 - 22.1494471795289 split increased to 2 itime 707917 + acceleration/energy drift too large 4.08129701553147 + 16.7076560099774 split increased to 2 itime 707915 itsplit 1 Momenta zeroed out, time 141599.80 - acceleration/energy drift too large 3.56182715579235 - 21.7951448371221 split increased to 2 itime 708568 - itsplit 1 Momenta zeroed out, time 141799.80 - acceleration/energy drift too large 3.55849752040569 - 16.8416022624155 split increased to 2 itime 709175 - itsplit 1 - acceleration/energy drift too large 5.87510053734280 - 17.4951042925304 split increased to 2 itime 709558 - itsplit 1 - acceleration/energy drift too large 8.50804434536379 - 40.0386764375865 split increased to 2 itime 709824 - itsplit 1 - acceleration/energy drift too large 6.12450530023317 - 20.8251483128571 split increased to 2 itime 709870 - itsplit 1 Velocities reset to random values, time 141999.80 Momenta zeroed out, time 141999.80 + acceleration/energy drift too large 3.91185179620796 + 13.4061803274138 split increased to 2 itime 710138 + itsplit 1 + acceleration/energy drift too large 3.49981385682461 + 10.3742370505809 split increased to 2 itime 710311 + itsplit 1 Momenta zeroed out, time 142199.80 - acceleration/energy drift too large 6.57784550667311 - 19.3603821936159 split increased to 2 itime 711198 + acceleration/energy drift too large 5.51487220465773 + 22.6945906893588 split increased to 2 itime 711882 itsplit 1 Momenta zeroed out, time 142399.80 + acceleration/energy drift too large 3.51540688249066 + 12.1927051894178 split increased to 2 itime 712534 + itsplit 1 Momenta zeroed out, time 142599.80 -Momenta zeroed out, time 142799.80 - acceleration/energy drift too large 1.76034789291894 - 11.4170889659240 split increased to 2 itime 714682 + acceleration/energy drift too large 6.09894427623358 + 17.2772062288001 split increased to 2 itime 713967 itsplit 1 - acceleration/energy drift too large 3.63673092149680 - 10.0723389044042 split increased to 2 itime 714720 +Momenta zeroed out, time 142799.80 + acceleration/energy drift too large 4.55875959273452 + 11.7702037286002 split increased to 2 itime 714074 itsplit 1 -Momenta zeroed out, time 142999.80 - acceleration/energy drift too large 5.35856234934605 - 11.4194236851736 split increased to 2 itime 715390 + acceleration/energy drift too large 2.94592667781739 + 21.1860303410841 split increased to 2 itime 714360 itsplit 1 - acceleration/energy drift too large 3.56897776994793 - 10.4452657066138 split increased to 2 itime 715441 + acceleration/energy drift too large 6.55559881632095 + 17.2566495566074 split increased to 2 itime 714507 itsplit 1 +Momenta zeroed out, time 142999.80 Momenta zeroed out, time 143199.80 + acceleration/energy drift too large 6.56345784096458 + 27.1220140185474 split increased to 2 itime 716435 + itsplit 1 Momenta zeroed out, time 143399.80 - acceleration/energy drift too large 13.9059025420124 - 75.9739021623213 split increased to 2 itime 717063 + acceleration/energy drift too large 3.60118853891612 + 10.3353209398453 split increased to 2 itime 717489 itsplit 1 -Momenta zeroed out, time 143599.80 - acceleration/energy drift too large 7.66931222430048 - 32.3232149660931 split increased to 2 itime 718344 + acceleration/energy drift too large 5.52428385892802 + 10.7777197009777 split increased to 2 itime 717666 itsplit 1 + acceleration/energy drift too large 5.58736593843760 + 20.2427474700257 split increased to 2 itime 717710 + itsplit 1 +Momenta zeroed out, time 143599.80 Momenta zeroed out, time 143799.80 - acceleration/energy drift too large 14.3770528757968 - 111.608230033604 split increased to 2 itime 719591 + acceleration/energy drift too large 2.95795363722445 + 11.9357981008561 split increased to 2 itime 719528 + itsplit 1 + acceleration/energy drift too large 3.08319033373450 + 10.4920187082214 split increased to 2 itime 719560 itsplit 1 Velocities reset to random values, time 143999.80 Momenta zeroed out, time 143999.80 + acceleration/energy drift too large 3.53601430932890 + 25.1636383364365 split increased to 2 itime 720840 + itsplit 1 Momenta zeroed out, time 144199.80 - acceleration/energy drift too large 5.24944155678507 - 11.2195861634948 split increased to 2 itime 721154 + acceleration/energy drift too large 3.58569970793505 + 24.5272716244531 split increased to 2 itime 721270 itsplit 1 - acceleration/energy drift too large 4.78884053842600 - 15.0108465896422 split increased to 2 itime 721478 + acceleration/energy drift too large 6.56098072629456 + 20.2511474275488 split increased to 2 itime 721570 + itsplit 1 + acceleration/energy drift too large 6.14991825507090 + 21.1156469898263 split increased to 2 itime 721701 itsplit 1 Momenta zeroed out, time 144399.80 -Momenta zeroed out, time 144599.80 - acceleration/energy drift too large 3.38629405148641 - 12.2343339783090 split increased to 2 itime 723417 + acceleration/energy drift too large 5.48361157915917 + 11.5526624666091 split increased to 2 itime 722082 itsplit 1 + acceleration/energy drift too large 7.21842103584155 + 19.1517755667296 split increased to 2 itime 722991 + itsplit 1 +Momenta zeroed out, time 144599.80 Momenta zeroed out, time 144799.80 Momenta zeroed out, time 144999.80 Momenta zeroed out, time 145199.80 - acceleration/energy drift too large 1.98125828512502 - 13.7008239849140 split increased to 2 itime 726514 +Momenta zeroed out, time 145399.80 + acceleration/energy drift too large 4.06243013363771 + 18.7587302954259 split increased to 2 itime 727008 itsplit 1 - acceleration/energy drift too large 3.44020646224604 - 11.0066250743159 split increased to 2 itime 726674 + acceleration/energy drift too large 6.21748045791239 + 12.7605620299821 split increased to 2 itime 727064 + itsplit 1 + acceleration/energy drift too large 5.14568572738771 + 11.6474897334985 split increased to 2 itime 727670 itsplit 1 -Momenta zeroed out, time 145399.80 Momenta zeroed out, time 145599.80 + acceleration/energy drift too large 9.25204756429202 + 38.6388656484764 split increased to 2 itime 728696 + itsplit 1 + acceleration/energy drift too large 5.85711875760145 + 43.5368297365481 split increased to 2 itime 728872 + itsplit 1 + acceleration/energy drift too large 3.98134749540484 + 10.8126855220374 split increased to 2 itime 728890 + itsplit 1 + acceleration/energy drift too large 4.42546008840559 + 13.3468917088046 split increased to 2 itime 728987 + itsplit 1 Momenta zeroed out, time 145799.80 + acceleration/energy drift too large 3.90287145278192 + 10.4238201139468 split increased to 2 itime 729111 + itsplit 1 + acceleration/energy drift too large 4.42641961823164 + 13.6443371184186 split increased to 2 itime 729360 + itsplit 1 Velocities reset to random values, time 145999.80 Momenta zeroed out, time 145999.80 - acceleration/energy drift too large 4.98958195070780 - 12.8928351643529 split increased to 2 itime 730488 - itsplit 1 Momenta zeroed out, time 146199.80 - acceleration/energy drift too large 5.13743464503674 - 20.3873437804165 split increased to 2 itime 731222 - itsplit 1 - acceleration/energy drift too large 5.74446822301793 - 15.7414578085706 split increased to 2 itime 731969 - itsplit 1 Momenta zeroed out, time 146399.80 - acceleration/energy drift too large 4.98805475230396 - 13.8829357043584 split increased to 2 itime 732183 + acceleration/energy drift too large 5.11520076218771 + 17.2917395892942 split increased to 2 itime 732292 itsplit 1 - acceleration/energy drift too large 2.47174063540117 - 10.0687948193764 split increased to 2 itime 732184 + acceleration/energy drift too large 2.28014079155074 + 14.2063463811784 split increased to 2 itime 732540 itsplit 1 -Momenta zeroed out, time 146599.80 - acceleration/energy drift too large 5.67588968614870 - 35.8122093109963 split increased to 2 itime 733123 + acceleration/energy drift too large 3.82029127830162 + 11.5761565700218 split increased to 2 itime 732580 itsplit 1 - acceleration/energy drift too large 4.13533887431712 - 13.6610407236731 split increased to 2 itime 733810 +Momenta zeroed out, time 146599.80 + acceleration/energy drift too large 6.06549372598898 + 19.4199880480982 split increased to 2 itime 733251 itsplit 1 Momenta zeroed out, time 146799.80 -Momenta zeroed out, time 146999.80 - acceleration/energy drift too large 9.19337969895395 - 41.1720301957376 split increased to 2 itime 735656 + acceleration/energy drift too large 8.08622216015780 + 31.8086336241802 split increased to 2 itime 734110 itsplit 1 +Momenta zeroed out, time 146999.80 Momenta zeroed out, time 147199.80 + acceleration/energy drift too large 3.98842480339270 + 11.6863201090007 split increased to 2 itime 736276 + itsplit 1 Momenta zeroed out, time 147399.80 -Momenta zeroed out, time 147599.80 - acceleration/energy drift too large 4.94523324334189 - 10.9984386661139 split increased to 2 itime 738902 + acceleration/energy drift too large 6.10123207125189 + 16.3911506969181 split increased to 2 itime 737162 + itsplit 1 + acceleration/energy drift too large 3.83250922469384 + 15.0724659707624 split increased to 2 itime 737695 + itsplit 1 + acceleration/energy drift too large 6.82833994568040 + 12.1090396008783 split increased to 2 itime 737927 itsplit 1 +Momenta zeroed out, time 147599.80 Momenta zeroed out, time 147799.80 - acceleration/energy drift too large 6.05141827141259 - 13.7659447206977 split increased to 2 itime 739642 + acceleration/energy drift too large 11.2003054027504 + 74.0729746987970 split increased to 2 itime 739708 itsplit 1 Velocities reset to random values, time 147999.80 Momenta zeroed out, time 147999.80 - acceleration/energy drift too large 7.00926125851313 - 52.0878124502171 split increased to 2 itime 740764 + acceleration/energy drift too large 8.03109696970847 + 14.1525379555960 split increased to 2 itime 740323 itsplit 1 -Momenta zeroed out, time 148199.80 - acceleration/energy drift too large 2.41032179654763 - 17.4952502429349 split increased to 2 itime 741116 + acceleration/energy drift too large 6.74907151618794 + 13.0353803170622 split increased to 2 itime 740395 itsplit 1 - acceleration/energy drift too large 4.26252322094003 - 11.6480098662911 split increased to 2 itime 741856 + acceleration/energy drift too large 9.77583883517222 + 43.8416363487829 split increased to 2 itime 740489 itsplit 1 - acceleration/energy drift too large 5.16780671024534 - 32.2455574519426 split increased to 2 itime 741884 + acceleration/energy drift too large 6.18741266355079 + 15.6911426986184 split increased to 2 itime 740541 itsplit 1 +Momenta zeroed out, time 148199.80 Momenta zeroed out, time 148399.80 - acceleration/energy drift too large 3.71896729625148 - 16.3648237378543 split increased to 2 itime 742358 + acceleration/energy drift too large 4.86455197725000 + 11.6104600295544 split increased to 2 itime 742951 itsplit 1 Momenta zeroed out, time 148599.80 - acceleration/energy drift too large 5.84861777010915 - 15.1609651475717 split increased to 2 itime 743274 - itsplit 1 - acceleration/energy drift too large 6.49088742028310 - 12.3356478323192 split increased to 2 itime 743672 + acceleration/energy drift too large 2.89887841848192 + 18.1544811709197 split increased to 2 itime 743558 itsplit 1 - acceleration/energy drift too large 4.79853743557760 - 10.3062856314734 split increased to 2 itime 743676 - itsplit 1 - acceleration/energy drift too large 2.54713475458781 - 13.6112653618088 split increased to 2 itime 743948 + acceleration/energy drift too large 6.23125868907680 + 12.1432342696762 split increased to 2 itime 743691 itsplit 1 Momenta zeroed out, time 148799.80 - acceleration/energy drift too large 6.36858609936185 - 18.1465018006747 split increased to 2 itime 744175 - itsplit 1 Momenta zeroed out, time 148999.80 - acceleration/energy drift too large 4.09144555716673 - 24.3160058819024 split increased to 2 itime 745130 + acceleration/energy drift too large 4.71002527363604 + 26.7081706482505 split increased to 2 itime 745491 itsplit 1 - acceleration/energy drift too large 4.53748499711306 - 12.7820932619071 split increased to 2 itime 745597 + acceleration/energy drift too large 3.19714126097803 + 12.3015525625345 split increased to 2 itime 745859 itsplit 1 - acceleration/energy drift too large 2.78789625090960 - 19.2709862511006 split increased to 2 itime 745975 + acceleration/energy drift too large 4.93174769833444 + 17.4055571427438 split increased to 2 itime 745926 itsplit 1 Momenta zeroed out, time 149199.80 - acceleration/energy drift too large 3.45330622064080 - 10.7078152772320 split increased to 2 itime 746170 + acceleration/energy drift too large 4.10771722827123 + 11.5674590365294 split increased to 2 itime 746329 + itsplit 1 + acceleration/energy drift too large 5.78137123905745 + 30.7993838397330 split increased to 2 itime 746383 + itsplit 1 + acceleration/energy drift too large 9.08562799637324 + 31.1433002955936 split increased to 2 itime 746951 itsplit 1 Momenta zeroed out, time 149399.80 - acceleration/energy drift too large 5.08869458792234 - 10.6727808747900 split increased to 2 itime 747522 + acceleration/energy drift too large 2.07559185659721 + 14.0020849871161 split increased to 2 itime 747751 itsplit 1 Momenta zeroed out, time 149599.80 - acceleration/energy drift too large 5.18653016858115 - 16.5023455481586 split increased to 2 itime 748518 + acceleration/energy drift too large 3.04411838309847 + 28.7594221387008 split increased to 2 itime 748141 itsplit 1 - acceleration/energy drift too large 8.87199509054557 - 31.0156402585522 split increased to 2 itime 748553 - itsplit 1 - acceleration/energy drift too large 3.16665914437871 - 17.1853375188209 split increased to 2 itime 748770 + acceleration/energy drift too large 4.98871565251356 + 16.8548962759261 split increased to 2 itime 748606 itsplit 1 Momenta zeroed out, time 149799.80 - acceleration/energy drift too large 7.73665065170434 - 26.8350887251010 split increased to 2 itime 749251 - itsplit 1 - acceleration/energy drift too large 4.93084176541855 - 20.2593292360981 split increased to 2 itime 749603 - itsplit 1 - acceleration/energy drift too large 4.47617786709771 - 14.6384247059224 split increased to 2 itime 749685 - itsplit 1 Velocities reset to random values, time 149999.80 Momenta zeroed out, time 149999.80 + acceleration/energy drift too large 4.29591952258697 + 11.6362912548853 split increased to 2 itime 750019 + itsplit 1 Momenta zeroed out, time 150199.80 - acceleration/energy drift too large 2.39592723898263 - 10.0113518804950 split increased to 2 itime 751173 + acceleration/energy drift too large 5.96006074449955 + 23.7498705363626 split increased to 2 itime 751183 itsplit 1 - acceleration/energy drift too large 3.50179847460916 - 25.2095588472754 split increased to 2 itime 751632 + acceleration/energy drift too large 2.39971794323615 + 12.0613849381682 split increased to 2 itime 751814 itsplit 1 Momenta zeroed out, time 150399.80 + acceleration/energy drift too large 3.51708606555128 + 10.7863621637318 split increased to 2 itime 752779 + itsplit 1 + acceleration/energy drift too large 3.72276542484982 + 12.8185052926122 split increased to 2 itime 752999 + itsplit 1 Momenta zeroed out, time 150599.80 - acceleration/energy drift too large 10.2950383414822 - 40.0587778576352 split increased to 2 itime 753861 + acceleration/energy drift too large 4.06794071726789 + 10.8108434403070 split increased to 2 itime 753111 itsplit 1 -Momenta zeroed out, time 150799.80 - acceleration/energy drift too large 5.09178162211558 - 11.9968078643744 split increased to 2 itime 754348 + acceleration/energy drift too large 12.1666593404060 + 59.3201997841181 split increased to 2 itime 753435 itsplit 1 - acceleration/energy drift too large 14.8481519189021 - 92.2203478137968 split increased to 2 itime 754709 + acceleration/energy drift too large 3.70438058209373 + 11.0286178417043 split increased to 2 itime 753737 + itsplit 1 +Momenta zeroed out, time 150799.80 + acceleration/energy drift too large 5.78395530795287 + 15.0204183705474 split increased to 2 itime 754650 itsplit 1 Momenta zeroed out, time 150999.80 - acceleration/energy drift too large 4.72244618134325 - 17.2994157201325 split increased to 2 itime 755531 + acceleration/energy drift too large 4.31174511175485 + 12.6574264755805 split increased to 2 itime 755007 + itsplit 1 + acceleration/energy drift too large 7.09694832219852 + 34.9566469620529 split increased to 2 itime 755269 itsplit 1 Momenta zeroed out, time 151199.80 + acceleration/energy drift too large 8.88265120458857 + 26.7484776029325 split increased to 2 itime 756907 + itsplit 1 Momenta zeroed out, time 151399.80 Momenta zeroed out, time 151599.80 - acceleration/energy drift too large 3.07303985832377 - 21.3395267817439 split increased to 2 itime 758588 - itsplit 1 Momenta zeroed out, time 151799.80 - acceleration/energy drift too large 5.14490674543814 - 12.4329003841497 split increased to 2 itime 759711 + acceleration/energy drift too large 4.56978636254004 + 14.5726833034425 split increased to 2 itime 759069 itsplit 1 Velocities reset to random values, time 151999.80 Momenta zeroed out, time 151999.80 - acceleration/energy drift too large 4.20877716337626 - 11.0506595176768 split increased to 2 itime 760120 - itsplit 1 - acceleration/energy drift too large 6.52178844059030 - 17.4232700918115 split increased to 2 itime 760891 - itsplit 1 - acceleration/energy drift too large 7.38277207125440 - 33.1441253167538 split increased to 2 itime 760900 - itsplit 1 Momenta zeroed out, time 152199.80 + acceleration/energy drift too large 6.37441052515290 + 17.0535941506614 split increased to 2 itime 761575 + itsplit 1 Momenta zeroed out, time 152399.80 - acceleration/energy drift too large 9.20294591535699 - 42.6928748003693 split increased to 2 itime 762397 + acceleration/energy drift too large 5.46978434947263 + 20.8761098955930 split increased to 2 itime 762163 itsplit 1 -Momenta zeroed out, time 152599.80 - acceleration/energy drift too large 4.71447147605572 - 17.0445693230685 split increased to 2 itime 763095 + acceleration/energy drift too large 4.91789916194304 + 26.6050956056080 split increased to 2 itime 762219 itsplit 1 - acceleration/energy drift too large 3.67733349090007 - 16.2397675823743 split increased to 2 itime 763709 +Momenta zeroed out, time 152599.80 + acceleration/energy drift too large 6.15371771042345 + 17.0722307004287 split increased to 2 itime 763827 itsplit 1 Momenta zeroed out, time 152799.80 - acceleration/energy drift too large 4.17657356630061 - 13.8558955506748 split increased to 2 itime 764984 + acceleration/energy drift too large 6.94963346974061 + 24.8206081105840 split increased to 2 itime 764148 itsplit 1 -Momenta zeroed out, time 152999.80 - acceleration/energy drift too large 9.23711065343299 - 26.8045648264258 split increased to 2 itime 765706 + acceleration/energy drift too large 4.74746192837082 + 11.2675301650002 split increased to 2 itime 764291 itsplit 1 - acceleration/energy drift too large 5.06020418563341 - 17.1522948474424 split increased to 2 itime 765833 + acceleration/energy drift too large 2.98545741417782 + 13.2699993222614 split increased to 2 itime 764667 itsplit 1 +Momenta zeroed out, time 152999.80 Momenta zeroed out, time 153199.80 Momenta zeroed out, time 153399.80 - acceleration/energy drift too large 7.95667049668280 - 19.3506083483030 split increased to 2 itime 767481 - itsplit 1 - acceleration/energy drift too large 3.46042252273485 - 20.0600931269311 split increased to 2 itime 767532 - itsplit 1 - acceleration/energy drift too large 2.61510280897652 - 12.5176613818994 split increased to 2 itime 767595 - itsplit 1 Momenta zeroed out, time 153599.80 - acceleration/energy drift too large 4.09243156241896 - 10.7945395942108 split increased to 2 itime 768383 - itsplit 1 - acceleration/energy drift too large 3.80895446381746 - 16.3982863816575 split increased to 2 itime 768837 - itsplit 1 Momenta zeroed out, time 153799.80 - acceleration/energy drift too large 8.02988840527016 - 38.7752150104761 split increased to 2 itime 769466 - itsplit 1 - acceleration/energy drift too large 5.08528963085416 - 10.7862374315563 split increased to 2 itime 769644 + acceleration/energy drift too large 5.75219633828167 + 18.9897042241997 split increased to 2 itime 769180 itsplit 1 Velocities reset to random values, time 153999.80 Momenta zeroed out, time 153999.80 - acceleration/energy drift too large 11.1021634144000 - 46.9980765819103 split increased to 2 itime 770426 + acceleration/energy drift too large 13.0945079541457 + 65.0977054337071 split increased to 2 itime 770564 itsplit 1 - acceleration/energy drift too large 7.45127478598601 - 11.3813641150503 split increased to 2 itime 770971 + acceleration/energy drift too large 5.50051922313404 + 15.1290105898258 split increased to 2 itime 770796 itsplit 1 Momenta zeroed out, time 154199.80 - acceleration/energy drift too large 9.32818971236411 - 36.7296389510119 split increased to 2 itime 771998 + acceleration/energy drift too large 7.98743563805274 + 27.3417964246336 split increased to 2 itime 771776 itsplit 1 Momenta zeroed out, time 154399.80 - acceleration/energy drift too large 5.96713780153727 - 14.4184053236391 split increased to 2 itime 772017 - itsplit 1 Momenta zeroed out, time 154599.80 - acceleration/energy drift too large 3.36814483925586 - 13.9045565158099 split increased to 2 itime 773266 - itsplit 1 Momenta zeroed out, time 154799.80 - acceleration/energy drift too large 10.1882851550092 - 45.5785714075316 split increased to 2 itime 774162 - itsplit 1 - acceleration/energy drift too large 4.77024270820559 - 24.6827092722097 split increased to 2 itime 774448 - itsplit 1 Momenta zeroed out, time 154999.80 Momenta zeroed out, time 155199.80 - acceleration/energy drift too large 4.50236443476027 - 11.4735252463620 split increased to 2 itime 776405 - itsplit 1 - acceleration/energy drift too large 4.79222778609612 - 14.1155721889973 split increased to 2 itime 776457 + acceleration/energy drift too large 5.71081444386469 + 11.7224812416147 split increased to 2 itime 776784 itsplit 1 Momenta zeroed out, time 155399.80 - acceleration/energy drift too large 6.14144732887868 - 11.4231364367406 split increased to 2 itime 777332 - itsplit 1 - acceleration/energy drift too large 9.85922688294200 - 73.5845097639865 split increased to 2 itime 777866 - itsplit 1 - acceleration/energy drift too large 4.99321742345497 - 16.4699246747417 split increased to 2 itime 777993 - itsplit 1 Momenta zeroed out, time 155599.80 - acceleration/energy drift too large 18.6857785340773 - 114.539997390828 split increased to 2 itime 778474 - itsplit 1 - acceleration/energy drift too large 4.03642424291576 - 22.4389610663166 split increased to 4 itime 778474 - itsplit 2 - acceleration/energy drift too large 3.94924791103259 - 15.1821504415067 split increased to 2 itime 778529 - itsplit 1 - acceleration/energy drift too large 6.26466262498598 - 16.3412754138200 split increased to 2 itime 778684 + acceleration/energy drift too large 5.05238848579762 + 16.8777976152498 split increased to 2 itime 778311 itsplit 1 -Momenta zeroed out, time 155799.80 - acceleration/energy drift too large 2.62931919392601 - 11.2606191186810 split increased to 2 itime 779205 + acceleration/energy drift too large 8.75850165239092 + 38.8676435223753 split increased to 2 itime 778554 itsplit 1 - acceleration/energy drift too large 4.45513508742001 - 23.0701482730261 split increased to 2 itime 779289 + acceleration/energy drift too large 2.82372774072950 + 14.4158349122824 split increased to 2 itime 778590 itsplit 1 - acceleration/energy drift too large 2.93592890050398 - 12.7222999027065 split increased to 2 itime 779293 + acceleration/energy drift too large 2.06253506456268 + 12.2228814610937 split increased to 2 itime 778833 itsplit 1 - acceleration/energy drift too large 6.82890946147441 - 31.4513645037567 split increased to 2 itime 779850 +Momenta zeroed out, time 155799.80 + acceleration/energy drift too large 4.47661629009227 + 13.5042961897762 split increased to 2 itime 779094 itsplit 1 - acceleration/energy drift too large 4.61843788665365 - 17.9605212190892 split increased to 2 itime 779938 + acceleration/energy drift too large 6.01040831372292 + 17.6384967020215 split increased to 2 itime 779368 itsplit 1 - acceleration/energy drift too large 13.3374362478693 - 61.6396615137167 split increased to 2 itime 779977 + acceleration/energy drift too large 4.53230287155287 + 13.8773581096724 split increased to 2 itime 779714 itsplit 1 Velocities reset to random values, time 155999.80 Momenta zeroed out, time 155999.80 - acceleration/energy drift too large 3.39082415022940 - 24.6800128557543 split increased to 2 itime 780790 + acceleration/energy drift too large 7.78395607086448 + 24.5472503662585 split increased to 2 itime 780486 itsplit 1 Momenta zeroed out, time 156199.80 - acceleration/energy drift too large 3.37719837489077 - 12.0100332325479 split increased to 2 itime 781157 - itsplit 1 - acceleration/energy drift too large 4.90981351284195 - 27.3576100471328 split increased to 2 itime 781288 - itsplit 1 - acceleration/energy drift too large 6.26558140528011 - 16.9991281102483 split increased to 2 itime 781620 - itsplit 1 Momenta zeroed out, time 156399.80 Momenta zeroed out, time 156599.80 + acceleration/energy drift too large 4.53272659505876 + 16.9016920503097 split increased to 2 itime 783536 + itsplit 1 Momenta zeroed out, time 156799.80 - acceleration/energy drift too large 2.37140422217955 - 12.8136076805489 split increased to 2 itime 784682 + acceleration/energy drift too large 4.60077239582880 + 11.4871502555859 split increased to 2 itime 784203 + itsplit 1 + acceleration/energy drift too large 7.96070474991530 + 25.0730891178179 split increased to 2 itime 784750 itsplit 1 Momenta zeroed out, time 156999.80 - acceleration/energy drift too large 6.00403003698544 - 41.1837741317997 split increased to 2 itime 785445 + acceleration/energy drift too large 5.93279984057552 + 16.1379557927074 split increased to 2 itime 785173 itsplit 1 Momenta zeroed out, time 157199.80 - acceleration/energy drift too large 2.06485847979914 - 10.6287753257916 split increased to 2 itime 786170 - itsplit 1 Momenta zeroed out, time 157399.80 - acceleration/energy drift too large 7.78451704792215 - 10.3416199593614 split increased to 2 itime 787381 + acceleration/energy drift too large 2.23256326838364 + 13.3231808879498 split increased to 2 itime 787188 itsplit 1 -Momenta zeroed out, time 157599.80 - acceleration/energy drift too large 16.5512734032090 - 80.8348357027854 split increased to 2 itime 788670 + acceleration/energy drift too large 6.62098674811785 + 20.0332933528630 split increased to 2 itime 787567 itsplit 1 - acceleration/energy drift too large 3.88145789260503 - 17.5345777643695 split increased to 4 itime 788670 - itsplit 2 - acceleration/energy drift too large 10.9554603692183 - 44.6516597648799 split increased to 2 itime 788943 + acceleration/energy drift too large 4.48484558589146 + 18.0936587509529 split increased to 2 itime 787993 + itsplit 1 +Momenta zeroed out, time 157599.80 + acceleration/energy drift too large 4.43474581992511 + 16.8178597898990 split increased to 2 itime 788097 itsplit 1 Momenta zeroed out, time 157799.80 Velocities reset to random values, time 157999.80 Momenta zeroed out, time 157999.80 Momenta zeroed out, time 158199.80 - acceleration/energy drift too large 5.92499096388947 - 42.7949557505260 split increased to 2 itime 791012 - itsplit 1 - acceleration/energy drift too large 5.54250690066420 - 36.5625806892671 split increased to 2 itime 791681 - itsplit 1 Momenta zeroed out, time 158399.80 - acceleration/energy drift too large 4.76792666157593 - 15.6911239740301 split increased to 2 itime 792072 - itsplit 1 - acceleration/energy drift too large 3.04105692195055 - 23.2507334045219 split increased to 2 itime 792204 - itsplit 1 - acceleration/energy drift too large 5.80911970411579 - 47.0977275031536 split increased to 2 itime 792236 - itsplit 1 - acceleration/energy drift too large 1.43546180815501 - 10.9489780774500 split increased to 4 itime 792236 - itsplit 1 - acceleration/energy drift too large 4.23742491233706 - 22.8804489065255 split increased to 2 itime 792541 + acceleration/energy drift too large 6.60319667243287 + 25.1134103211564 split increased to 2 itime 792134 itsplit 1 Momenta zeroed out, time 158599.80 - acceleration/energy drift too large 3.36403456157944 - 10.4738075796180 split increased to 2 itime 793473 + acceleration/energy drift too large 3.73603572947391 + 11.2918953447823 split increased to 2 itime 793573 itsplit 1 Momenta zeroed out, time 158799.80 Momenta zeroed out, time 158999.80 - acceleration/energy drift too large 5.50284383818753 - 21.4568677907025 split increased to 2 itime 795003 + acceleration/energy drift too large 3.41613883190358 + 13.3071554036335 split increased to 2 itime 795239 + itsplit 1 + acceleration/energy drift too large 6.57792462195826 + 15.7127783738566 split increased to 2 itime 795676 + itsplit 1 + acceleration/energy drift too large 3.86232630207412 + 11.8511601527225 split increased to 2 itime 795792 itsplit 1 Momenta zeroed out, time 159199.80 + acceleration/energy drift too large 7.81974422083141 + 25.8030355125204 split increased to 2 itime 796144 + itsplit 1 Momenta zeroed out, time 159399.80 -Momenta zeroed out, time 159599.80 - acceleration/energy drift too large 5.39962027127895 - 12.7497533718093 split increased to 2 itime 798039 + acceleration/energy drift too large 7.76987838147135 + 18.4497902435616 split increased to 2 itime 797195 itsplit 1 - acceleration/energy drift too large 3.92885777400521 - 25.1263076728336 split increased to 2 itime 798920 + acceleration/energy drift too large 4.45587813294868 + 10.5611726176483 split increased to 2 itime 797970 itsplit 1 +Momenta zeroed out, time 159599.80 Momenta zeroed out, time 159799.80 - acceleration/energy drift too large 8.29874961228195 - 29.1833022656823 split increased to 2 itime 799875 + acceleration/energy drift too large 8.54399699275814 + 32.6092701775570 split increased to 2 itime 799573 itsplit 1 Velocities reset to random values, time 159999.80 Momenta zeroed out, time 159999.80 Momenta zeroed out, time 160199.80 - acceleration/energy drift too large 5.74492573886690 - 36.7198013644456 split increased to 2 itime 801381 - itsplit 1 Momenta zeroed out, time 160399.80 - acceleration/energy drift too large 3.74210228165323 - 28.7146347551451 split increased to 2 itime 802323 + acceleration/energy drift too large 3.57934466626777 + 10.9397085210805 split increased to 2 itime 802185 + itsplit 1 + acceleration/energy drift too large 9.53888279135315 + 62.8156983579547 split increased to 2 itime 802884 itsplit 1 Momenta zeroed out, time 160599.80 - acceleration/energy drift too large 6.82522628979637 - 21.9615747763283 split increased to 2 itime 803081 + acceleration/energy drift too large 3.11623916752402 + 11.0378181447560 split increased to 2 itime 803136 itsplit 1 -Momenta zeroed out, time 160799.80 - acceleration/energy drift too large 4.82391864056145 - 13.6711040308144 split increased to 2 itime 804877 + acceleration/energy drift too large 4.55347093933583 + 12.0772590906290 split increased to 2 itime 803466 itsplit 1 +Momenta zeroed out, time 160799.80 Momenta zeroed out, time 160999.80 - acceleration/energy drift too large 4.35006811091763 - 25.4753033978273 split increased to 2 itime 805221 - itsplit 1 -Momenta zeroed out, time 161199.80 - acceleration/energy drift too large 5.00609951879690 - 10.8398779445447 split increased to 2 itime 806256 - itsplit 1 - acceleration/energy drift too large 2.97353075121809 - 11.4388988985185 split increased to 2 itime 806326 + acceleration/energy drift too large 7.36180593471952 + 20.5382888942905 split increased to 2 itime 805243 itsplit 1 - acceleration/energy drift too large 5.63226264248114 - 14.7465223481164 split increased to 2 itime 806602 + acceleration/energy drift too large 2.36171849163831 + 12.0279221162648 split increased to 2 itime 805714 itsplit 1 - acceleration/energy drift too large 5.32666485661458 - 14.4118313049677 split increased to 2 itime 806757 - itsplit 1 - acceleration/energy drift too large 3.14392644303765 - 14.2365210022466 split increased to 2 itime 806870 +Momenta zeroed out, time 161199.80 + acceleration/energy drift too large 4.87961175340624 + 13.5685268352985 split increased to 2 itime 806313 itsplit 1 Momenta zeroed out, time 161399.80 - acceleration/energy drift too large 4.05186635396376 - 20.5875603207227 split increased to 2 itime 807283 - itsplit 1 - acceleration/energy drift too large 6.37924690650927 - 14.8194669060962 split increased to 2 itime 807324 - itsplit 1 - acceleration/energy drift too large 4.20195925317622 - 22.2778273742347 split increased to 2 itime 807453 - itsplit 1 - acceleration/energy drift too large 5.56486534259402 - 22.7086026987142 split increased to 2 itime 807536 +Momenta zeroed out, time 161599.80 + acceleration/energy drift too large 6.65160439640773 + 15.8141833123991 split increased to 2 itime 808926 itsplit 1 - acceleration/energy drift too large 4.18707372326205 - 11.6819997713183 split increased to 2 itime 807915 +Momenta zeroed out, time 161799.80 + acceleration/energy drift too large 11.8320400671394 + 65.9619570359747 split increased to 2 itime 809097 itsplit 1 -Momenta zeroed out, time 161599.80 - acceleration/energy drift too large 6.48491391395337 - 21.9364677194840 split increased to 2 itime 808013 + acceleration/energy drift too large 4.30966129399266 + 12.9665381955092 split increased to 2 itime 809361 itsplit 1 - acceleration/energy drift too large 4.62353541644323 - 11.6858591927844 split increased to 2 itime 808158 + acceleration/energy drift too large 5.04515200168836 + 26.6889645671964 split increased to 2 itime 809563 itsplit 1 -Momenta zeroed out, time 161799.80 Velocities reset to random values, time 161999.80 Momenta zeroed out, time 161999.80 - acceleration/energy drift too large 3.27264657697556 - 17.3773382187889 split increased to 2 itime 810781 + acceleration/energy drift too large 3.89036825975766 + 20.1128982133242 split increased to 2 itime 810491 + itsplit 1 + acceleration/energy drift too large 5.10352709635051 + 13.0200238869089 split increased to 2 itime 810677 itsplit 1 - acceleration/energy drift too large 3.91690847134978 - 16.1203034743898 split increased to 2 itime 810995 + acceleration/energy drift too large 5.31449382971570 + 31.8899865751353 split increased to 2 itime 810961 itsplit 1 Momenta zeroed out, time 162199.80 - acceleration/energy drift too large 2.97377138803372 - 12.1936207219749 split increased to 2 itime 811391 + acceleration/energy drift too large 3.22762215830360 + 11.6030207837417 split increased to 2 itime 811022 itsplit 1 - acceleration/energy drift too large 7.39219851812956 - 26.1136663558542 split increased to 2 itime 811913 + acceleration/energy drift too large 6.01090033481955 + 42.3361097221328 split increased to 2 itime 811867 itsplit 1 Momenta zeroed out, time 162399.80 - acceleration/energy drift too large 3.80140023842527 - 11.5564794797607 split increased to 2 itime 812423 + acceleration/energy drift too large 4.87549596125517 + 14.5211094155848 split increased to 2 itime 812858 itsplit 1 Momenta zeroed out, time 162599.80 - acceleration/energy drift too large 5.04656418947820 - 16.9741965932455 split increased to 2 itime 813626 - itsplit 1 Momenta zeroed out, time 162799.80 - acceleration/energy drift too large 5.04872854439076 - 31.5961362080206 split increased to 2 itime 814512 + acceleration/energy drift too large 6.01976304641971 + 44.9622457547930 split increased to 2 itime 814265 + itsplit 1 + acceleration/energy drift too large 2.18293199633900 + 12.3792532637278 split increased to 2 itime 814266 itsplit 1 Momenta zeroed out, time 162999.80 Momenta zeroed out, time 163199.80 + acceleration/energy drift too large 6.08538239870585 + 39.7494815008613 split increased to 2 itime 816267 + itsplit 1 Momenta zeroed out, time 163399.80 - acceleration/energy drift too large 4.65906388109373 - 15.4203852998880 split increased to 2 itime 817305 + acceleration/energy drift too large 6.37202169345718 + 52.6734996507749 split increased to 2 itime 817177 itsplit 1 - acceleration/energy drift too large 4.58742549442974 - 15.5773371880134 split increased to 2 itime 817497 + acceleration/energy drift too large 5.20639372431396 + 15.2417712367252 split increased to 2 itime 817684 itsplit 1 Momenta zeroed out, time 163599.80 -Momenta zeroed out, time 163799.80 - acceleration/energy drift too large 3.81243691126209 - 18.2776030850536 split increased to 2 itime 819178 + acceleration/energy drift too large 5.68571293340396 + 12.5533768410566 split increased to 2 itime 818203 itsplit 1 - acceleration/energy drift too large 3.02360194259486 - 12.5433115637952 split increased to 2 itime 819245 + acceleration/energy drift too large 6.84452612519689 + 17.6085320518927 split increased to 2 itime 818560 + itsplit 1 +Momenta zeroed out, time 163799.80 + acceleration/energy drift too large 2.68542761534349 + 17.4315692210306 split increased to 2 itime 819733 itsplit 1 Velocities reset to random values, time 163999.80 Momenta zeroed out, time 163999.80 - acceleration/energy drift too large 4.69934379487902 - 17.8781573208904 split increased to 2 itime 820668 + acceleration/energy drift too large 6.34581175943510 + 20.7190865931566 split increased to 2 itime 820498 itsplit 1 - acceleration/energy drift too large 5.09244132830603 - 11.3526088664732 split increased to 2 itime 820716 + acceleration/energy drift too large 9.53055711007327 + 37.9288940407713 split increased to 2 itime 820797 itsplit 1 Momenta zeroed out, time 164199.80 - acceleration/energy drift too large 3.92030709629688 - 10.9041482553285 split increased to 2 itime 821743 + acceleration/energy drift too large 3.11661702868413 + 19.9569189351844 split increased to 2 itime 821848 itsplit 1 -Momenta zeroed out, time 164399.80 - acceleration/energy drift too large 4.45151699778669 - 10.8780364013332 split increased to 2 itime 822275 - itsplit 1 - acceleration/energy drift too large 6.15475552514924 - 15.5261249294320 split increased to 2 itime 822674 - itsplit 1 - acceleration/energy drift too large 4.93226927253938 - 12.2279877821353 split increased to 2 itime 822698 - itsplit 1 - acceleration/energy drift too large 4.23460779608340 - 13.3118250155963 split increased to 2 itime 822810 + acceleration/energy drift too large 2.35604964190714 + 15.2103386733064 split increased to 2 itime 821849 itsplit 1 - acceleration/energy drift too large 4.39183282841305 - 12.0873679488289 split increased to 2 itime 822885 +Momenta zeroed out, time 164399.80 +Momenta zeroed out, time 164599.80 + acceleration/energy drift too large 4.52717579474237 + 27.6920872321832 split increased to 2 itime 823187 itsplit 1 - acceleration/energy drift too large 4.53596486689530 - 11.5944713390852 split increased to 2 itime 822963 + acceleration/energy drift too large 6.55089495195609 + 13.7480329180170 split increased to 2 itime 823560 itsplit 1 -Momenta zeroed out, time 164599.80 Momenta zeroed out, time 164799.80 Momenta zeroed out, time 164999.80 - acceleration/energy drift too large 7.81821035742162 - 32.3045581920289 split increased to 2 itime 825261 - itsplit 1 Momenta zeroed out, time 165199.80 - acceleration/energy drift too large 3.33321401635625 - 23.0158276103240 split increased to 2 itime 826187 - itsplit 1 - acceleration/energy drift too large 5.48063682957747 - 10.1287355517002 split increased to 2 itime 826264 + acceleration/energy drift too large 6.14513484525090 + 24.1263529711080 split increased to 2 itime 826244 itsplit 1 Momenta zeroed out, time 165399.80 - acceleration/energy drift too large 5.45912118588014 - 18.4493620532609 split increased to 2 itime 827118 + acceleration/energy drift too large 5.50854327873170 + 16.5584114418364 split increased to 2 itime 827534 itsplit 1 Momenta zeroed out, time 165599.80 - acceleration/energy drift too large 4.51873636581489 - 12.9528919366570 split increased to 2 itime 828762 + acceleration/energy drift too large 5.18824332549396 + 35.9663815329685 split increased to 2 itime 828664 + itsplit 1 + acceleration/energy drift too large 5.28908290406186 + 14.0214550374966 split increased to 2 itime 828797 itsplit 1 Momenta zeroed out, time 165799.80 - acceleration/energy drift too large 5.53673286994567 - 25.5537254314739 split increased to 2 itime 829718 + acceleration/energy drift too large 2.42599357574228 + 18.5151437491120 split increased to 2 itime 829135 + itsplit 1 + acceleration/energy drift too large 8.25138833451565 + 32.1949297834421 split increased to 2 itime 829832 itsplit 1 Velocities reset to random values, time 165999.80 Momenta zeroed out, time 165999.80 + acceleration/energy drift too large 13.3016322151818 + 69.8729562916403 split increased to 2 itime 830471 + itsplit 1 + acceleration/energy drift too large 5.70853100394128 + 13.8284151452673 split increased to 2 itime 830946 + itsplit 1 + acceleration/energy drift too large 6.07072093266275 + 41.0885503470258 split increased to 2 itime 830949 + itsplit 1 Momenta zeroed out, time 166199.80 + acceleration/energy drift too large 9.30792667034651 + 43.5919876109591 split increased to 2 itime 831045 + itsplit 1 Momenta zeroed out, time 166399.80 - acceleration/energy drift too large 3.87073675548457 - 18.5051098252134 split increased to 2 itime 832036 + acceleration/energy drift too large 3.10234098707784 + 11.4262229934478 split increased to 2 itime 832203 itsplit 1 - acceleration/energy drift too large 2.62433286617426 - 10.0961010434428 split increased to 2 itime 832037 + acceleration/energy drift too large 4.85094471142867 + 12.0637848863845 split increased to 2 itime 832634 itsplit 1 - acceleration/energy drift too large 4.90663236764782 - 21.7283314873963 split increased to 2 itime 832716 + acceleration/energy drift too large 6.16113492603800 + 14.0808581680039 split increased to 2 itime 832753 itsplit 1 Momenta zeroed out, time 166599.80 - acceleration/energy drift too large 3.40097022914083 - 13.0867656684688 split increased to 2 itime 833602 + acceleration/energy drift too large 2.15886920482089 + 10.5055573455022 split increased to 2 itime 833163 itsplit 1 -Momenta zeroed out, time 166799.80 - acceleration/energy drift too large 2.06196035655998 - 11.6897375189634 split increased to 2 itime 834050 + acceleration/energy drift too large 2.13455718881357 + 10.4368564989263 split increased to 2 itime 833174 itsplit 1 - acceleration/energy drift too large 5.88476847413398 - 15.9007351409330 split increased to 2 itime 834361 + acceleration/energy drift too large 4.97689025157650 + 11.6529122392307 split increased to 2 itime 833970 itsplit 1 +Momenta zeroed out, time 166799.80 Momenta zeroed out, time 166999.80 - acceleration/energy drift too large 3.73104990018655 - 28.8722378143442 split increased to 2 itime 835149 - itsplit 1 - acceleration/energy drift too large 4.31845967537407 - 21.8679118962416 split increased to 2 itime 835496 - itsplit 1 - acceleration/energy drift too large 2.79541165706229 - 11.2899216581800 split increased to 2 itime 835497 + acceleration/energy drift too large 2.76186983963354 + 12.4761543118270 split increased to 2 itime 835199 itsplit 1 Momenta zeroed out, time 167199.80 - acceleration/energy drift too large 5.38402922793740 - 22.4236477949483 split increased to 2 itime 836390 - itsplit 1 - acceleration/energy drift too large 9.22710513509879 - 45.8811437714932 split increased to 2 itime 836700 - itsplit 1 Momenta zeroed out, time 167399.80 - acceleration/energy drift too large 3.26070690034737 - 12.2266926077354 split increased to 2 itime 837194 - itsplit 1 - acceleration/energy drift too large 8.98090560484235 - 39.5801672939554 split increased to 2 itime 837411 - itsplit 1 - acceleration/energy drift too large 1.98464045318435 - 11.8940836937035 split increased to 2 itime 837412 - itsplit 1 Momenta zeroed out, time 167599.80 - acceleration/energy drift too large 8.65878538508589 - 35.9780812542472 split increased to 2 itime 838422 - itsplit 1 - acceleration/energy drift too large 2.84823337941545 - 19.7525061234976 split increased to 2 itime 838543 - itsplit 1 - acceleration/energy drift too large 4.32912799059953 - 18.4991853067253 split increased to 2 itime 838794 - itsplit 1 - acceleration/energy drift too large 5.21788330530094 - 24.9711053363927 split increased to 2 itime 838932 + acceleration/energy drift too large 3.07865773632430 + 10.7980821880467 split increased to 2 itime 838621 itsplit 1 Momenta zeroed out, time 167799.80 - acceleration/energy drift too large 3.02767348589434 - 11.4085871922921 split increased to 2 itime 839052 + acceleration/energy drift too large 5.78695404235481 + 10.3392129089448 split increased to 2 itime 839861 itsplit 1 Velocities reset to random values, time 167999.80 Momenta zeroed out, time 167999.80 - acceleration/energy drift too large 3.67387917409033 - 22.6154929732918 split increased to 2 itime 840174 +Momenta zeroed out, time 168199.80 + acceleration/energy drift too large 4.92767624327360 + 12.6469007610873 split increased to 2 itime 841018 itsplit 1 - acceleration/energy drift too large 3.26756830019776 - 11.5738689100919 split increased to 2 itime 840435 + acceleration/energy drift too large 10.4744261308907 + 55.8591282600286 split increased to 2 itime 841034 itsplit 1 -Momenta zeroed out, time 168199.80 - acceleration/energy drift too large 4.88221141244355 - 19.2917165556473 split increased to 2 itime 841353 + acceleration/energy drift too large 2.82757707780037 + 12.6631079047312 split increased to 4 itime 841034 + itsplit 1 + acceleration/energy drift too large 4.89210084819577 + 14.6170274978407 split increased to 2 itime 841244 itsplit 1 - acceleration/energy drift too large 4.99451083122166 - 19.6619741271167 split increased to 2 itime 841662 + acceleration/energy drift too large 5.90311555767364 + 10.8026145509482 split increased to 2 itime 841392 itsplit 1 Momenta zeroed out, time 168399.80 - acceleration/energy drift too large 3.92614800190358 - 13.7896094745076 split increased to 2 itime 842068 + acceleration/energy drift too large 3.09461132302016 + 15.7952007419910 split increased to 2 itime 842154 itsplit 1 Momenta zeroed out, time 168599.80 - acceleration/energy drift too large 9.46525973060289 - 29.1743295954813 split increased to 2 itime 843273 +Momenta zeroed out, time 168799.80 + acceleration/energy drift too large 6.75787226836971 + 20.9190515716370 split increased to 2 itime 844214 itsplit 1 - acceleration/energy drift too large 4.56956032620855 - 10.0203698727279 split increased to 2 itime 843315 + acceleration/energy drift too large 4.11693105184698 + 19.8615002964187 split increased to 2 itime 844407 itsplit 1 -Momenta zeroed out, time 168799.80 - acceleration/energy drift too large 4.93233452940774 - 13.6759387522853 split increased to 2 itime 844692 + acceleration/energy drift too large 10.9817852828990 + 47.9709586652292 split increased to 2 itime 844489 itsplit 1 -Momenta zeroed out, time 168999.80 - acceleration/energy drift too large 3.53712063219541 - 10.1750987900244 split increased to 2 itime 845135 + acceleration/energy drift too large 2.73630221711829 + 11.6715809694961 split increased to 4 itime 844489 + itsplit 2 + acceleration/energy drift too large 3.92905470184612 + 19.1274463748778 split increased to 2 itime 844686 itsplit 1 - acceleration/energy drift too large 4.35184469558263 - 12.8811837951536 split increased to 2 itime 845560 + acceleration/energy drift too large 12.3470524297553 + 55.7503791329962 split increased to 2 itime 844800 itsplit 1 +Momenta zeroed out, time 168999.80 Momenta zeroed out, time 169199.80 - acceleration/energy drift too large 4.00025938163371 - 14.4859034763997 split increased to 2 itime 846010 - itsplit 1 - acceleration/energy drift too large 3.11103248635420 - 15.4921113049369 split increased to 2 itime 846442 + acceleration/energy drift too large 6.40154710369248 + 19.8205473144418 split increased to 2 itime 846113 itsplit 1 - acceleration/energy drift too large 3.27303398386769 - 10.3560032929799 split increased to 2 itime 846525 + acceleration/energy drift too large 5.10400331198755 + 11.1678929739740 split increased to 2 itime 846134 itsplit 1 - acceleration/energy drift too large 5.92339634339704 - 15.6696136099556 split increased to 2 itime 846640 + acceleration/energy drift too large 3.80500758430210 + 13.1655294031955 split increased to 2 itime 846992 itsplit 1 Momenta zeroed out, time 169399.80 -Momenta zeroed out, time 169599.80 -Momenta zeroed out, time 169799.80 - acceleration/energy drift too large 9.10618708596841 - 37.7519187463658 split increased to 2 itime 849025 + acceleration/energy drift too large 4.80762383557558 + 25.8452427780642 split increased to 2 itime 847250 itsplit 1 - acceleration/energy drift too large 5.10134746280044 - 29.5311958187968 split increased to 2 itime 849083 + acceleration/energy drift too large 3.35799242217840 + 11.9760087484704 split increased to 2 itime 847969 itsplit 1 - acceleration/energy drift too large 5.40234879970057 - 21.4070620781088 split increased to 2 itime 849676 - itsplit 1 - acceleration/energy drift too large 4.26986149376041 - 11.4777018578115 split increased to 2 itime 849727 +Momenta zeroed out, time 169599.80 +Momenta zeroed out, time 169799.80 + acceleration/energy drift too large 4.28185293342424 + 12.8951256179717 split increased to 2 itime 849517 itsplit 1 Velocities reset to random values, time 169999.80 Momenta zeroed out, time 169999.80 - acceleration/energy drift too large 6.53789102805504 - 12.1863659335553 split increased to 2 itime 850563 + acceleration/energy drift too large 4.35344992517251 + 13.6611585940263 split increased to 2 itime 850164 itsplit 1 Momenta zeroed out, time 170199.80 - acceleration/energy drift too large 5.70005019903227 - 18.6161087206976 split increased to 2 itime 851504 + acceleration/energy drift too large 4.58128882760000 + 28.4370902941511 split increased to 2 itime 851151 itsplit 1 Momenta zeroed out, time 170399.80 - acceleration/energy drift too large 4.34734920843842 - 23.5572788334655 split increased to 2 itime 852132 + acceleration/energy drift too large 10.7616196898337 + 46.2437386199211 split increased to 2 itime 852406 itsplit 1 - acceleration/energy drift too large 3.29745188622350 - 11.0970207441481 split increased to 2 itime 852791 + acceleration/energy drift too large 2.89464887839297 + 10.1464992658386 split increased to 2 itime 852417 itsplit 1 Momenta zeroed out, time 170599.80 - acceleration/energy drift too large 7.15816856685805 - 23.2693315018613 split increased to 2 itime 853000 - itsplit 1 - acceleration/energy drift too large 3.55228169330000 - 11.7775990362057 split increased to 2 itime 853277 + acceleration/energy drift too large 3.50607867415322 + 12.6924830413851 split increased to 2 itime 853999 itsplit 1 Momenta zeroed out, time 170799.80 + acceleration/energy drift too large 5.12310706792468 + 15.1858802556847 split increased to 2 itime 854333 + itsplit 1 + acceleration/energy drift too large 6.93481311277489 + 30.2641471446498 split increased to 2 itime 854555 + itsplit 1 + acceleration/energy drift too large 3.63508200746020 + 11.2287165117311 split increased to 2 itime 854556 + itsplit 1 Momenta zeroed out, time 170999.80 + acceleration/energy drift too large 2.20263994071207 + 19.0406971571685 split increased to 2 itime 855357 + itsplit 1 + acceleration/energy drift too large 4.99556585066581 + 14.7708841161801 split increased to 2 itime 855719 + itsplit 1 Momenta zeroed out, time 171199.80 - acceleration/energy drift too large 3.31218377953639 - 26.6275005181271 split increased to 2 itime 856541 + acceleration/energy drift too large 7.13670887828385 + 35.0708714466230 split increased to 2 itime 856062 + itsplit 1 + acceleration/energy drift too large 4.52991214275148 + 18.7885711951498 split increased to 2 itime 856329 itsplit 1 - acceleration/energy drift too large 6.04939827381643 - 11.8720667512274 split increased to 2 itime 856963 + acceleration/energy drift too large 4.12555026492856 + 12.0022846767012 split increased to 2 itime 856330 itsplit 1 Momenta zeroed out, time 171399.80 Momenta zeroed out, time 171599.80 - acceleration/energy drift too large 5.05251913558946 - 27.8350216336444 split increased to 2 itime 858093 - itsplit 1 - acceleration/energy drift too large 6.07371040440041 - 29.8673268805752 split increased to 2 itime 858143 - itsplit 1 Momenta zeroed out, time 171799.80 - acceleration/energy drift too large 4.50841907810142 - 14.3815277280396 split increased to 2 itime 859684 - itsplit 1 Velocities reset to random values, time 171999.80 Momenta zeroed out, time 171999.80 - acceleration/energy drift too large 5.65184202706531 - 31.4961151434760 split increased to 2 itime 860107 + acceleration/energy drift too large 4.14195798570142 + 12.0680779087142 split increased to 2 itime 860361 itsplit 1 - acceleration/energy drift too large 3.73680446803215 - 11.0493578852148 split increased to 2 itime 860898 + acceleration/energy drift too large 5.94100411230224 + 13.2112450261299 split increased to 2 itime 860719 itsplit 1 Momenta zeroed out, time 172199.80 -Momenta zeroed out, time 172399.80 -Momenta zeroed out, time 172599.80 - acceleration/energy drift too large 5.14404740528487 - 12.1617327464939 split increased to 2 itime 863017 - itsplit 1 - acceleration/energy drift too large 3.53595320928532 - 10.0732682657988 split increased to 2 itime 863051 + acceleration/energy drift too large 5.40440339606444 + 16.9105820712686 split increased to 2 itime 861369 itsplit 1 - acceleration/energy drift too large 2.54771606184848 - 10.9722994147921 split increased to 2 itime 863096 +Momenta zeroed out, time 172399.80 + acceleration/energy drift too large 3.58000505878379 + 11.8101315447051 split increased to 2 itime 862640 itsplit 1 - acceleration/energy drift too large 6.60605374277731 - 13.8452926271259 split increased to 2 itime 863346 +Momenta zeroed out, time 172599.80 + acceleration/energy drift too large 6.91831565426530 + 28.5931417474484 split increased to 2 itime 863959 itsplit 1 - acceleration/energy drift too large 5.25859786504072 - 10.1577335719423 split increased to 2 itime 863486 +Momenta zeroed out, time 172799.80 + acceleration/energy drift too large 4.46237237460143 + 11.9867646114973 split increased to 2 itime 864147 itsplit 1 - acceleration/energy drift too large 4.84246292881706 - 11.5315884615796 split increased to 2 itime 863709 + acceleration/energy drift too large 4.49324687525262 + 11.9276969197795 split increased to 2 itime 864341 itsplit 1 - acceleration/energy drift too large 4.22016951093836 - 12.0435885397294 split increased to 2 itime 863710 + acceleration/energy drift too large 5.16219897012796 + 13.6631187119116 split increased to 2 itime 864549 itsplit 1 -Momenta zeroed out, time 172799.80 Momenta zeroed out, time 172999.80 - acceleration/energy drift too large 3.82612481476693 - 11.3442336585437 split increased to 2 itime 865634 + acceleration/energy drift too large 2.63400825643056 + 16.3584900298889 split increased to 2 itime 865998 itsplit 1 Momenta zeroed out, time 173199.80 - acceleration/energy drift too large 4.45943663262331 - 10.6672008248402 split increased to 2 itime 866331 + acceleration/energy drift too large 4.37106381759168 + 18.4491412772900 split increased to 2 itime 866813 itsplit 1 -Momenta zeroed out, time 173399.80 - acceleration/energy drift too large 10.9334265624574 - 51.1829257160271 split increased to 2 itime 867677 + acceleration/energy drift too large 6.74451115223725 + 17.0928240716282 split increased to 2 itime 866956 itsplit 1 +Momenta zeroed out, time 173399.80 Momenta zeroed out, time 173599.80 - acceleration/energy drift too large 4.33845405817586 - 20.2606051417782 split increased to 2 itime 868719 - itsplit 1 Momenta zeroed out, time 173799.80 - acceleration/energy drift too large 5.17009207691513 - 12.1819560842383 split increased to 2 itime 869372 - itsplit 1 Velocities reset to random values, time 173999.80 Momenta zeroed out, time 173999.80 - acceleration/energy drift too large 4.70205235581323 - 22.3774145169749 split increased to 2 itime 870258 - itsplit 1 Momenta zeroed out, time 174199.80 - acceleration/energy drift too large 3.25681990084098 - 11.5316575024634 split increased to 2 itime 871275 - itsplit 1 - acceleration/energy drift too large 5.43998086918527 - 18.3946909919251 split increased to 2 itime 871611 - itsplit 1 - acceleration/energy drift too large 4.08963050101551 - 10.3877126056225 split increased to 2 itime 871816 - itsplit 1 Momenta zeroed out, time 174399.80 Momenta zeroed out, time 174599.80 - acceleration/energy drift too large 13.6518237680182 - 75.9938852607436 split increased to 2 itime 873203 +Momenta zeroed out, time 174799.80 + acceleration/energy drift too large 18.3831636524152 + 115.684960534161 split increased to 2 itime 874952 + itsplit 1 + acceleration/energy drift too large 3.14636247754814 + 19.4439797680202 split increased to 2 itime 874979 itsplit 1 - acceleration/energy drift too large 6.29334067446924 - 18.4208258527099 split increased to 2 itime 873252 +Momenta zeroed out, time 174999.80 +Momenta zeroed out, time 175199.80 + acceleration/energy drift too large 4.78005791849269 + 13.6022784287410 split increased to 2 itime 876473 itsplit 1 - acceleration/energy drift too large 15.8956448374658 - 78.2490385966732 split increased to 2 itime 873642 + acceleration/energy drift too large 7.56762708817595 + 14.8617202554050 split increased to 2 itime 876808 itsplit 1 -Momenta zeroed out, time 174799.80 - acceleration/energy drift too large 2.74726216030116 - 18.5700300754259 split increased to 2 itime 874000 + acceleration/energy drift too large 6.40655951094747 + 42.2283943611791 split increased to 2 itime 876902 itsplit 1 - acceleration/energy drift too large 7.00526561122010 - 30.1430881107069 split increased to 2 itime 874216 +Momenta zeroed out, time 175399.80 +Momenta zeroed out, time 175599.80 + acceleration/energy drift too large 14.0980295853649 + 82.8369874278649 split increased to 2 itime 878061 itsplit 1 - acceleration/energy drift too large 4.53066615515545 - 25.8978042513824 split increased to 2 itime 874240 + acceleration/energy drift too large 2.97684451444773 + 15.5406888828425 split increased to 4 itime 878061 + itsplit 2 + acceleration/energy drift too large 9.69473659967085 + 44.0756757013081 split increased to 2 itime 878816 itsplit 1 - acceleration/energy drift too large 4.80368689472743 - 32.9793249329439 split increased to 2 itime 874559 + acceleration/energy drift too large 2.77059977027038 + 19.0148515577097 split increased to 2 itime 878817 itsplit 1 - acceleration/energy drift too large 7.53746747096232 - 35.7113807790328 split increased to 2 itime 874743 + acceleration/energy drift too large 5.81919110665943 + 11.5646902401592 split increased to 2 itime 878826 itsplit 1 -Momenta zeroed out, time 174999.80 - acceleration/energy drift too large 12.1527806444812 - 67.9749569982251 split increased to 2 itime 875245 +Momenta zeroed out, time 175799.80 + acceleration/energy drift too large 4.16682641359610 + 11.5785028010178 split increased to 2 itime 879053 itsplit 1 - acceleration/energy drift too large 11.3812068522580 - 61.6495258999242 split increased to 2 itime 875804 + acceleration/energy drift too large 6.65569303333558 + 12.9470897674460 split increased to 2 itime 879590 itsplit 1 -Momenta zeroed out, time 175199.80 -Momenta zeroed out, time 175399.80 - acceleration/energy drift too large 3.81096115213438 - 19.4997498853091 split increased to 2 itime 877785 + acceleration/energy drift too large 2.96415381922203 + 10.2306709914660 split increased to 2 itime 879881 itsplit 1 -Momenta zeroed out, time 175599.80 -Momenta zeroed out, time 175799.80 - acceleration/energy drift too large 7.80386550516528 - 14.5933925427354 split increased to 2 itime 879208 + acceleration/energy drift too large 6.83520794449620 + 21.0019877102817 split increased to 2 itime 879943 itsplit 1 Velocities reset to random values, time 175999.80 Momenta zeroed out, time 175999.80 - acceleration/energy drift too large 4.22796903552204 - 10.6320458572905 split increased to 2 itime 880262 + acceleration/energy drift too large 5.57139423605034 + 12.9249164393835 split increased to 2 itime 880064 + itsplit 1 + acceleration/energy drift too large 7.00059752844962 + 19.9022061654973 split increased to 2 itime 880710 itsplit 1 Momenta zeroed out, time 176199.80 - acceleration/energy drift too large 6.33352326859042 - 13.1807258060295 split increased to 2 itime 881986 + acceleration/energy drift too large 5.91953999869800 + 19.8748919122347 split increased to 2 itime 881049 + itsplit 1 + acceleration/energy drift too large 6.25594104120461 + 30.8670560431345 split increased to 2 itime 881671 itsplit 1 Momenta zeroed out, time 176399.80 - acceleration/energy drift too large 4.45490733994230 - 12.4203086659831 split increased to 2 itime 882711 + acceleration/energy drift too large 6.43206856012506 + 20.2236556823451 split increased to 2 itime 882472 + itsplit 1 + acceleration/energy drift too large 5.61837804168996 + 10.1512080588226 split increased to 2 itime 882911 itsplit 1 Momenta zeroed out, time 176599.80 + acceleration/energy drift too large 4.75803412077950 + 11.5974293442511 split increased to 2 itime 883386 + itsplit 1 + acceleration/energy drift too large 2.85678407948444 + 18.6501172075680 split increased to 2 itime 883550 + itsplit 1 Momenta zeroed out, time 176799.80 + acceleration/energy drift too large 5.16447646062194 + 16.3633694083197 split increased to 2 itime 884317 + itsplit 1 + acceleration/energy drift too large 3.69021303900344 + 17.6118651451568 split increased to 2 itime 884994 + itsplit 1 Momenta zeroed out, time 176999.80 - acceleration/energy drift too large 4.80960488051270 - 13.5930395867373 split increased to 2 itime 885615 + acceleration/energy drift too large 2.91323683083412 + 10.9625437893665 split increased to 2 itime 885012 + itsplit 1 + acceleration/energy drift too large 8.80927240699818 + 36.1543578689030 split increased to 2 itime 885071 + itsplit 1 + acceleration/energy drift too large 4.11599860631339 + 11.8854575109041 split increased to 2 itime 885123 itsplit 1 Momenta zeroed out, time 177199.80 -Momenta zeroed out, time 177399.80 - acceleration/energy drift too large 7.47434011627617 - 20.0182406099193 split increased to 2 itime 887021 + acceleration/energy drift too large 9.12822169607484 + 38.0935179648993 split increased to 2 itime 886000 itsplit 1 - acceleration/energy drift too large 2.10730554896734 - 11.0308969896301 split increased to 2 itime 887730 + acceleration/energy drift too large 2.58487772634355 + 12.5605127794113 split increased to 2 itime 886565 itsplit 1 -Momenta zeroed out, time 177599.80 - acceleration/energy drift too large 5.30596486658655 - 10.7649878219788 split increased to 2 itime 888732 + acceleration/energy drift too large 3.85396728757588 + 11.0683207006747 split increased to 2 itime 886809 itsplit 1 +Momenta zeroed out, time 177399.80 +Momenta zeroed out, time 177599.80 Momenta zeroed out, time 177799.80 - acceleration/energy drift too large 3.54344704556723 - 21.9538713301132 split increased to 2 itime 889474 + acceleration/energy drift too large 7.01515187448491 + 21.8744810082525 split increased to 2 itime 889906 itsplit 1 Velocities reset to random values, time 177999.80 Momenta zeroed out, time 177999.80 - acceleration/energy drift too large 3.55126420890896 - 11.0609901050849 split increased to 2 itime 890013 + acceleration/energy drift too large 4.29070372979820 + 12.9604740393888 split increased to 2 itime 890028 itsplit 1 - acceleration/energy drift too large 6.99302867866769 - 23.1882384640026 split increased to 2 itime 890446 + acceleration/energy drift too large 2.34021863924972 + 18.7946184965664 split increased to 2 itime 890278 itsplit 1 Momenta zeroed out, time 178199.80 - acceleration/energy drift too large 4.10833105745231 - 10.3220902113414 split increased to 2 itime 891884 + acceleration/energy drift too large 14.7991180487602 + 95.4177443749056 split increased to 2 itime 891039 itsplit 1 Momenta zeroed out, time 178399.80 -Momenta zeroed out, time 178599.80 -Momenta zeroed out, time 178799.80 - acceleration/energy drift too large 6.77364050735273 - 15.3781336257847 split increased to 2 itime 894351 + acceleration/energy drift too large 7.29170019448088 + 36.8652878159456 split increased to 2 itime 892239 itsplit 1 - acceleration/energy drift too large 2.62888665272087 - 16.7770658056087 split increased to 2 itime 894910 + acceleration/energy drift too large 6.80387382236126 + 31.6732998187338 split increased to 2 itime 892253 itsplit 1 -Momenta zeroed out, time 178999.80 - acceleration/energy drift too large 4.71038257786028 - 15.8555990304452 split increased to 2 itime 895204 +Momenta zeroed out, time 178599.80 + acceleration/energy drift too large 3.80225563429020 + 12.1705331667105 split increased to 2 itime 893000 itsplit 1 - acceleration/energy drift too large 5.75414966520890 - 16.6291586287178 split increased to 2 itime 895713 + acceleration/energy drift too large 6.23267118040252 + 22.3983379609017 split increased to 2 itime 893098 itsplit 1 - acceleration/energy drift too large 5.04172707223517 - 15.0728333821749 split increased to 2 itime 895727 +Momenta zeroed out, time 178799.80 +Momenta zeroed out, time 178999.80 + acceleration/energy drift too large 3.71221875123400 + 22.8208320961445 split increased to 2 itime 895956 itsplit 1 Momenta zeroed out, time 179199.80 - acceleration/energy drift too large 3.93127530086439 - 11.5542915238330 split increased to 2 itime 896511 - itsplit 1 - acceleration/energy drift too large 3.66774080274766 - 13.3171109948320 split increased to 2 itime 896542 + acceleration/energy drift too large 2.38189309919474 + 15.2558663632163 split increased to 2 itime 896008 itsplit 1 Momenta zeroed out, time 179399.80 - acceleration/energy drift too large 10.9404321568743 - 60.2140838235866 split increased to 2 itime 897213 + acceleration/energy drift too large 4.11941238433344 + 16.6219544772608 split increased to 2 itime 897233 itsplit 1 - acceleration/energy drift too large 8.95707768251574 - 30.3993594198080 split increased to 2 itime 897539 + acceleration/energy drift too large 1.41620602514831 + 11.3339626317717 split increased to 2 itime 897382 itsplit 1 - acceleration/energy drift too large 2.76539604731723 - 10.0751490982834 split increased to 2 itime 897540 + acceleration/energy drift too large 2.72954191407834 + 15.4601033222922 split increased to 2 itime 897517 itsplit 1 -Momenta zeroed out, time 179599.80 - acceleration/energy drift too large 5.05680806500897 - 16.6723225549645 split increased to 2 itime 898499 - itsplit 1 - acceleration/energy drift too large 7.32988354445463 - 16.7108163233040 split increased to 2 itime 898673 + acceleration/energy drift too large 7.09518160604320 + 35.1595918262726 split increased to 2 itime 897812 itsplit 1 - acceleration/energy drift too large 2.33706080409391 - 15.9080157001394 split increased to 2 itime 898699 + acceleration/energy drift too large 1.57365138730012 + 11.2503420176531 split increased to 2 itime 897818 itsplit 1 - acceleration/energy drift too large 3.68224868081820 - 12.5515027632942 split increased to 2 itime 898804 +Momenta zeroed out, time 179599.80 + acceleration/energy drift too large 2.44224394880386 + 12.8765494887874 split increased to 2 itime 898540 itsplit 1 Momenta zeroed out, time 179799.80 - acceleration/energy drift too large 3.28803407217186 - 18.6966525460259 split increased to 2 itime 899457 - itsplit 1 - acceleration/energy drift too large 5.00371495574754 - 13.3271567053248 split increased to 2 itime 899850 - itsplit 1 Velocities reset to random values, time 179999.80 Momenta zeroed out, time 179999.80 -Momenta zeroed out, time 180199.80 - acceleration/energy drift too large 2.40747698158318 - 15.9512549417722 split increased to 2 itime 901452 - itsplit 1 - acceleration/energy drift too large 5.53160232392352 - 10.6523976334423 split increased to 2 itime 901798 - itsplit 1 - acceleration/energy drift too large 3.85233710326270 - 10.2679313780666 split increased to 2 itime 901834 + acceleration/energy drift too large 5.64939590966148 + 17.9192488006809 split increased to 2 itime 900413 itsplit 1 - acceleration/energy drift too large 4.22548677070690 - 11.7093370338581 split increased to 2 itime 901862 + acceleration/energy drift too large 7.91215592239088 + 39.2247469575195 split increased to 2 itime 900700 itsplit 1 +Momenta zeroed out, time 180199.80 Momenta zeroed out, time 180399.80 - acceleration/energy drift too large 9.25788813994322 - 45.3863184177003 split increased to 2 itime 902135 - itsplit 1 - acceleration/energy drift too large 4.65528340870361 - 15.2352214444177 split increased to 2 itime 902636 + acceleration/energy drift too large 6.40106537676835 + 25.0107020988476 split increased to 2 itime 902575 itsplit 1 - acceleration/energy drift too large 3.40498467605247 - 10.7807417377253 split increased to 2 itime 902698 + acceleration/energy drift too large 6.18763619719715 + 20.4826629957771 split increased to 2 itime 902657 itsplit 1 Momenta zeroed out, time 180599.80 -Momenta zeroed out, time 180799.80 - acceleration/energy drift too large 5.14637208459996 - 17.6621198427073 split increased to 2 itime 904389 + acceleration/energy drift too large 4.06843835345584 + 18.8851588167160 split increased to 2 itime 903831 itsplit 1 +Momenta zeroed out, time 180799.80 Momenta zeroed out, time 180999.80 - acceleration/energy drift too large 3.52911347621709 - 10.3108590365208 split increased to 2 itime 905737 + acceleration/energy drift too large 4.71137620056124 + 10.5041805612059 split increased to 2 itime 905006 itsplit 1 Momenta zeroed out, time 181199.80 - acceleration/energy drift too large 7.04727452214308 - 28.9078873724487 split increased to 2 itime 906170 + acceleration/energy drift too large 5.24622377862583 + 12.0757820011201 split increased to 2 itime 906022 itsplit 1 - acceleration/energy drift too large 1.51709461185909 - 11.2236113693320 split increased to 2 itime 906171 - itsplit 1 - acceleration/energy drift too large 6.67472192721282 - 12.2436076841169 split increased to 2 itime 906563 + acceleration/energy drift too large 3.51488059310430 + 10.9358032875806 split increased to 2 itime 906435 itsplit 1 Momenta zeroed out, time 181399.80 - acceleration/energy drift too large 4.78873276817106 - 10.8181422717380 split increased to 2 itime 907067 + acceleration/energy drift too large 4.06831696723211 + 10.6276328577351 split increased to 2 itime 907228 itsplit 1 Momenta zeroed out, time 181599.80 + acceleration/energy drift too large 6.74983136399028 + 17.4619940211109 split increased to 2 itime 908768 + itsplit 1 Momenta zeroed out, time 181799.80 Velocities reset to random values, time 181999.80 Momenta zeroed out, time 181999.80 - acceleration/energy drift too large 10.0800255167978 - 44.4137190054949 split increased to 2 itime 910501 - itsplit 1 - acceleration/energy drift too large 3.92863615531937 - 20.3740730563155 split increased to 2 itime 910502 - itsplit 1 - acceleration/energy drift too large 2.32967070027529 - 10.9996650238789 split increased to 2 itime 910776 - itsplit 1 - acceleration/energy drift too large 4.66186419548138 - 10.9636375804028 split increased to 2 itime 910942 - itsplit 1 Momenta zeroed out, time 182199.80 - acceleration/energy drift too large 4.38109711005149 - 10.9788126658748 split increased to 2 itime 911409 - itsplit 1 Momenta zeroed out, time 182399.80 Momenta zeroed out, time 182599.80 -Momenta zeroed out, time 182799.80 - acceleration/energy drift too large 3.85031636200780 - 16.0109877381329 split increased to 2 itime 914563 + acceleration/energy drift too large 8.76307306730424 + 32.7423419425279 split increased to 2 itime 913601 itsplit 1 - acceleration/energy drift too large 4.89130122315225 - 12.7654389690485 split increased to 2 itime 914841 + acceleration/energy drift too large 12.4557881287490 + 70.2601616565196 split increased to 2 itime 913700 itsplit 1 - acceleration/energy drift too large 4.01261383135191 - 16.8317805200574 split increased to 2 itime 914873 +Momenta zeroed out, time 182799.80 + acceleration/energy drift too large 4.62915719892227 + 16.7878295382134 split increased to 2 itime 914575 itsplit 1 Momenta zeroed out, time 182999.80 - acceleration/energy drift too large 4.41559227007358 - 15.5786622535649 split increased to 2 itime 915007 + acceleration/energy drift too large 6.59947326219332 + 21.7431240957519 split increased to 2 itime 915260 + itsplit 1 + acceleration/energy drift too large 6.82126314398018 + 30.1045619841746 split increased to 2 itime 915970 itsplit 1 Momenta zeroed out, time 183199.80 + acceleration/energy drift too large 7.49955333037253 + 24.1264847163457 split increased to 2 itime 916555 + itsplit 1 Momenta zeroed out, time 183399.80 - acceleration/energy drift too large 4.81752786199611 - 16.8852955704528 split increased to 2 itime 917359 + acceleration/energy drift too large 10.4926311770528 + 60.6842308371089 split increased to 2 itime 917341 + itsplit 1 + acceleration/energy drift too large 4.36847880667804 + 19.4818217001684 split increased to 2 itime 917926 itsplit 1 Momenta zeroed out, time 183599.80 - acceleration/energy drift too large 4.67086091876574 - 14.8832468679010 split increased to 2 itime 918417 + acceleration/energy drift too large 3.43666964126472 + 13.4626331551131 split increased to 2 itime 918123 itsplit 1 -Momenta zeroed out, time 183799.80 - acceleration/energy drift too large 8.38029788681533 - 36.6489408996394 split increased to 2 itime 919249 + acceleration/energy drift too large 4.11681556000293 + 12.6738217678919 split increased to 2 itime 918564 + itsplit 1 + acceleration/energy drift too large 5.01952310141018 + 14.6402550053891 split increased to 2 itime 918566 itsplit 1 +Momenta zeroed out, time 183799.80 Velocities reset to random values, time 183999.80 Momenta zeroed out, time 183999.80 - acceleration/energy drift too large 3.25916917253471 - 16.8642979166192 split increased to 2 itime 920561 - itsplit 1 - acceleration/energy drift too large 10.9978444963237 - 56.0847399106631 split increased to 2 itime 920647 + acceleration/energy drift too large 9.26885121542399 + 35.1769234442414 split increased to 2 itime 920347 itsplit 1 Momenta zeroed out, time 184199.80 - acceleration/energy drift too large 2.86966477412026 - 15.7477415488308 split increased to 2 itime 921275 + acceleration/energy drift too large 4.42501398888762 + 11.2377509374862 split increased to 2 itime 921869 itsplit 1 Momenta zeroed out, time 184399.80 + acceleration/energy drift too large 3.37110568332865 + 14.8528264513639 split increased to 2 itime 922294 + itsplit 1 + acceleration/energy drift too large 9.33741264419441 + 38.0466911862381 split increased to 2 itime 922541 + itsplit 1 Momenta zeroed out, time 184599.80 - acceleration/energy drift too large 4.57696288764085 - 12.9823766494987 split increased to 2 itime 923448 + acceleration/energy drift too large 5.85966092996116 + 17.5233543942442 split increased to 2 itime 923509 itsplit 1 Momenta zeroed out, time 184799.80 + acceleration/energy drift too large 4.11754238958413 + 17.9096046776561 split increased to 2 itime 924772 + itsplit 1 Momenta zeroed out, time 184999.80 Momenta zeroed out, time 185199.80 Momenta zeroed out, time 185399.80 - acceleration/energy drift too large 5.28052714451537 - 23.7723991773180 split increased to 2 itime 927444 - itsplit 1 - acceleration/energy drift too large 5.27260288165354 - 10.5923972688741 split increased to 2 itime 927445 - itsplit 1 Momenta zeroed out, time 185599.80 - acceleration/energy drift too large 6.89816669021086 - 27.0831561680998 split increased to 2 itime 928347 - itsplit 1 Momenta zeroed out, time 185799.80 - acceleration/energy drift too large 7.46528102638832 - 15.7041851492910 split increased to 2 itime 929369 + acceleration/energy drift too large 7.55096827794664 + 34.9949764604980 split increased to 2 itime 929839 itsplit 1 - acceleration/energy drift too large 2.38259348071125 - 12.9073010972352 split increased to 2 itime 929734 + acceleration/energy drift too large 2.54493571473172 + 11.8095262142998 split increased to 2 itime 929840 itsplit 1 Velocities reset to random values, time 185999.80 Momenta zeroed out, time 185999.80 Momenta zeroed out, time 186199.80 - acceleration/energy drift too large 4.37478362852270 - 20.0464175051627 split increased to 2 itime 931536 - itsplit 1 Momenta zeroed out, time 186399.80 - acceleration/energy drift too large 6.64675059734402 - 22.8905117709758 split increased to 2 itime 932506 + acceleration/energy drift too large 3.71565546482799 + 17.5553761624904 split increased to 2 itime 932644 itsplit 1 Momenta zeroed out, time 186599.80 - acceleration/energy drift too large 2.13882178519497 - 10.1794523409683 split increased to 2 itime 933837 + acceleration/energy drift too large 6.11879464168513 + 32.0678263290008 split increased to 2 itime 933048 itsplit 1 Momenta zeroed out, time 186799.80 Momenta zeroed out, time 186999.80 + acceleration/energy drift too large 7.69703953158774 + 25.6041414559111 split increased to 2 itime 935208 + itsplit 1 + acceleration/energy drift too large 3.95506321365442 + 10.5924570948619 split increased to 2 itime 935642 + itsplit 1 + acceleration/energy drift too large 2.81430836104613 + 11.9851316761449 split increased to 2 itime 935838 + itsplit 1 + acceleration/energy drift too large 4.29405972268210 + 15.8817519142952 split increased to 2 itime 935947 + itsplit 1 Momenta zeroed out, time 187199.80 - acceleration/energy drift too large 6.13326234165489 - 34.5127990442089 split increased to 2 itime 936624 + acceleration/energy drift too large 4.19316527703721 + 13.2016558012912 split increased to 2 itime 936340 itsplit 1 -Momenta zeroed out, time 187399.80 -Momenta zeroed out, time 187599.80 - acceleration/energy drift too large 8.27818519280545 - 28.4974421671772 split increased to 2 itime 938185 + acceleration/energy drift too large 7.71903345657385 + 56.8101136336538 split increased to 2 itime 936428 itsplit 1 - acceleration/energy drift too large 6.93066345259891 - 14.6393090674665 split increased to 2 itime 938249 + acceleration/energy drift too large 4.39212030173237 + 12.3088293285816 split increased to 2 itime 936469 itsplit 1 - acceleration/energy drift too large 5.09126728950992 - 10.2006196592283 split increased to 2 itime 938399 + acceleration/energy drift too large 5.24190773153633 + 27.2812078649946 split increased to 2 itime 936724 itsplit 1 - acceleration/energy drift too large 2.16473178549179 - 15.5153258708730 split increased to 2 itime 938682 +Momenta zeroed out, time 187399.80 + acceleration/energy drift too large 5.48345432925524 + 19.0813939282261 split increased to 2 itime 937571 itsplit 1 -Momenta zeroed out, time 187799.80 - acceleration/energy drift too large 5.12534921460226 - 21.0446165290598 split increased to 2 itime 939058 +Momenta zeroed out, time 187599.80 + acceleration/energy drift too large 3.96621252268491 + 11.3290067612466 split increased to 2 itime 938550 itsplit 1 - acceleration/energy drift too large 5.47460593686507 - 16.7062541880737 split increased to 2 itime 939976 +Momenta zeroed out, time 187799.80 + acceleration/energy drift too large 4.33508692909633 + 10.0702666903337 split increased to 2 itime 939385 itsplit 1 Velocities reset to random values, time 187999.80 Momenta zeroed out, time 187999.80 - acceleration/energy drift too large 3.16064491395945 - 10.3677934092856 split increased to 2 itime 940309 - itsplit 1 - acceleration/energy drift too large 6.76965166348005 - 14.8153365855610 split increased to 2 itime 940467 + acceleration/energy drift too large 7.33765380554674 + 14.4423926328211 split increased to 2 itime 940355 itsplit 1 - acceleration/energy drift too large 6.79043152795061 - 21.1130219819995 split increased to 2 itime 940725 +Momenta zeroed out, time 188199.80 + acceleration/energy drift too large 10.0641719341106 + 38.6290510374791 split increased to 2 itime 941202 itsplit 1 - acceleration/energy drift too large 17.3603558883470 - 86.6087053947984 split increased to 2 itime 940827 + acceleration/energy drift too large 2.58493171604433 + 10.9238257643822 split increased to 4 itime 941202 itsplit 1 - acceleration/energy drift too large 2.87934773631215 - 10.0815858121405 split increased to 4 itime 940827 + acceleration/energy drift too large 6.09610017329919 + 19.8643460580627 split increased to 2 itime 941305 itsplit 1 -Momenta zeroed out, time 188199.80 Momenta zeroed out, time 188399.80 - acceleration/energy drift too large 7.61097822113379 - 34.1368931165406 split increased to 2 itime 942481 + acceleration/energy drift too large 4.45523700271409 + 25.0099125038624 split increased to 2 itime 942087 itsplit 1 - acceleration/energy drift too large 7.81398393519283 - 14.2688025076005 split increased to 2 itime 942482 - itsplit 1 - acceleration/energy drift too large 2.55181106564991 - 15.5995648120924 split increased to 2 itime 942800 + acceleration/energy drift too large 13.8082461625667 + 72.6797272394370 split increased to 2 itime 942633 itsplit 1 Momenta zeroed out, time 188599.80 - acceleration/energy drift too large 10.5030670629784 - 76.1929235638924 split increased to 2 itime 943744 - itsplit 1 - acceleration/energy drift too large 3.32592604891163 - 20.8230899292985 split increased to 2 itime 943973 + acceleration/energy drift too large 6.19979127904313 + 33.0538434394526 split increased to 2 itime 943269 itsplit 1 -Momenta zeroed out, time 188799.80 - acceleration/energy drift too large 4.80286508459256 - 26.2441267039552 split increased to 2 itime 944122 + acceleration/energy drift too large 3.77812717436389 + 13.7203335120304 split increased to 2 itime 943299 itsplit 1 - acceleration/energy drift too large 6.19052068276805 - 11.2950100153451 split increased to 2 itime 944147 + acceleration/energy drift too large 5.50155759592136 + 32.2825152960241 split increased to 2 itime 943433 itsplit 1 +Momenta zeroed out, time 188799.80 Momenta zeroed out, time 188999.80 -Momenta zeroed out, time 189199.80 - acceleration/energy drift too large 4.02018591940842 - 12.5351519543398 split increased to 2 itime 946014 + acceleration/energy drift too large 1.87154625344258 + 11.3203471515441 split increased to 2 itime 945145 itsplit 1 - acceleration/energy drift too large 2.71237182949362 - 14.1238309636478 split increased to 2 itime 946191 +Momenta zeroed out, time 189199.80 + acceleration/energy drift too large 6.78882012692004 + 20.7638788283845 split increased to 2 itime 946492 itsplit 1 Momenta zeroed out, time 189399.80 - acceleration/energy drift too large 6.54972001391232 - 39.1204388601376 split increased to 2 itime 947715 - itsplit 1 Momenta zeroed out, time 189599.80 - acceleration/energy drift too large 4.60021761971936 - 20.7888802656170 split increased to 2 itime 948107 + acceleration/energy drift too large 1.97955132903262 + 11.3644673002085 split increased to 2 itime 948431 itsplit 1 - acceleration/energy drift too large 10.9761377197373 - 61.0192622812578 split increased to 2 itime 948630 + acceleration/energy drift too large 7.70370544516286 + 27.0499576503014 split increased to 2 itime 948873 itsplit 1 Momenta zeroed out, time 189799.80 - acceleration/energy drift too large 5.90083079186520 - 15.5945529567742 split increased to 2 itime 949178 + acceleration/energy drift too large 6.72675405641875 + 16.2369965899632 split increased to 2 itime 949062 + itsplit 1 + acceleration/energy drift too large 16.3367270308654 + 80.0395699695640 split increased to 2 itime 949150 itsplit 1 - acceleration/energy drift too large 3.39171683320163 - 12.2445712683653 split increased to 2 itime 949598 + acceleration/energy drift too large 3.11092311245637 + 13.3328147736199 split increased to 4 itime 949150 itsplit 1 Velocities reset to random values, time 189999.80 Momenta zeroed out, time 189999.80 - acceleration/energy drift too large 5.67647913825963 - 10.7370459000041 split increased to 2 itime 950034 + acceleration/energy drift too large 7.30266092291591 + 26.2553751474527 split increased to 2 itime 950676 itsplit 1 - acceleration/energy drift too large 3.46470002582546 - 14.3265488038707 split increased to 2 itime 950829 + acceleration/energy drift too large 3.14143944902155 + 21.8214776458736 split increased to 2 itime 950861 itsplit 1 Momenta zeroed out, time 190199.80 -Momenta zeroed out, time 190399.80 - acceleration/energy drift too large 4.87107724427008 - 15.4475405572620 split increased to 2 itime 952965 + acceleration/energy drift too large 3.03612469761438 + 22.2544090199055 split increased to 2 itime 951225 itsplit 1 -Momenta zeroed out, time 190599.80 - acceleration/energy drift too large 4.23961203185401 - 15.6864801861022 split increased to 2 itime 953046 + acceleration/energy drift too large 6.20429073328207 + 14.5857488148775 split increased to 2 itime 951820 itsplit 1 - acceleration/energy drift too large 5.85444513988827 - 28.7489649245446 split increased to 2 itime 953917 + acceleration/energy drift too large 9.44901442945907 + 38.6530131561794 split increased to 2 itime 951881 itsplit 1 -Momenta zeroed out, time 190799.80 - acceleration/energy drift too large 3.78179990224598 - 14.4353928131892 split increased to 2 itime 954131 +Momenta zeroed out, time 190399.80 + acceleration/energy drift too large 2.61204113768389 + 15.1415394171797 split increased to 2 itime 952199 itsplit 1 - acceleration/energy drift too large 8.00534024371275 - 18.8332694224348 split increased to 2 itime 954559 + acceleration/energy drift too large 3.87513003410829 + 10.5428007243267 split increased to 2 itime 952200 itsplit 1 -Momenta zeroed out, time 190999.80 - acceleration/energy drift too large 3.41999900210871 - 13.7079163112839 split increased to 2 itime 955445 + acceleration/energy drift too large 3.20249990527865 + 10.0306371745324 split increased to 2 itime 952427 itsplit 1 +Momenta zeroed out, time 190599.80 +Momenta zeroed out, time 190799.80 +Momenta zeroed out, time 190999.80 Momenta zeroed out, time 191199.80 -Momenta zeroed out, time 191399.80 -Momenta zeroed out, time 191599.80 - acceleration/energy drift too large 3.04615152046048 - 23.7052394698058 split increased to 2 itime 958819 + acceleration/energy drift too large 5.41386689182131 + 17.8721708154713 split increased to 2 itime 956638 itsplit 1 -Momenta zeroed out, time 191799.80 - acceleration/energy drift too large 3.58229127967627 - 14.1266244968235 split increased to 2 itime 959411 +Momenta zeroed out, time 191399.80 + acceleration/energy drift too large 8.71557544953530 + 30.8663275384695 split increased to 2 itime 957286 itsplit 1 - acceleration/energy drift too large 10.2785326109141 - 57.5938546035118 split increased to 2 itime 959472 +Momenta zeroed out, time 191599.80 + acceleration/energy drift too large 1.79908243209367 + 16.0744064564434 split increased to 2 itime 958103 itsplit 1 - acceleration/energy drift too large 4.62195541734330 - 13.5787149979671 split increased to 2 itime 959756 + acceleration/energy drift too large 5.40472696424416 + 20.1780546503174 split increased to 2 itime 958644 itsplit 1 - acceleration/energy drift too large 9.33136415798480 - 36.7204490460494 split increased to 2 itime 959901 +Momenta zeroed out, time 191799.80 + acceleration/energy drift too large 4.29571045500132 + 15.0779607398785 split increased to 2 itime 959789 itsplit 1 Velocities reset to random values, time 191999.80 Momenta zeroed out, time 191999.80 - acceleration/energy drift too large 5.08256822681629 - 11.3547012862528 split increased to 2 itime 960195 +Momenta zeroed out, time 192199.80 + acceleration/energy drift too large 6.47923706123576 + 15.0181016931428 split increased to 2 itime 961445 itsplit 1 - acceleration/energy drift too large 6.57941001170692 - 25.2706083983021 split increased to 2 itime 960788 +Momenta zeroed out, time 192399.80 + acceleration/energy drift too large 6.68059062369496 + 20.4463406454648 split increased to 2 itime 962437 itsplit 1 -Momenta zeroed out, time 192199.80 - acceleration/energy drift too large 5.81054536594996 - 29.2934975179907 split increased to 2 itime 961204 + acceleration/energy drift too large 10.1253679398236 + 41.0800616836375 split increased to 2 itime 962502 itsplit 1 - acceleration/energy drift too large 2.44216031739247 - 12.6762821518876 split increased to 2 itime 961205 + acceleration/energy drift too large 3.43371992926497 + 12.8103260525196 split increased to 2 itime 962830 itsplit 1 - acceleration/energy drift too large 8.22602277184862 - 29.6016265891437 split increased to 2 itime 961601 + acceleration/energy drift too large 3.15168069252562 + 20.4059282291816 split increased to 2 itime 962899 itsplit 1 - acceleration/energy drift too large 6.13221523270448 - 18.3314715642198 split increased to 2 itime 961920 +Momenta zeroed out, time 192599.80 + acceleration/energy drift too large 2.51483400696555 + 22.1223933210593 split increased to 2 itime 963140 itsplit 1 -Momenta zeroed out, time 192399.80 - acceleration/energy drift too large 7.71833250481364 - 29.3260205359827 split increased to 2 itime 962656 + acceleration/energy drift too large 12.7599996579491 + 57.5873106014007 split increased to 2 itime 963317 itsplit 1 - acceleration/energy drift too large 8.34268971252241 - 26.5707030273309 split increased to 2 itime 962779 + acceleration/energy drift too large 4.08590975471296 + 10.0800337789047 split increased to 2 itime 963943 itsplit 1 -Momenta zeroed out, time 192599.80 Momenta zeroed out, time 192799.80 - acceleration/energy drift too large 6.57357433825984 - 11.1542347490229 split increased to 2 itime 964111 + acceleration/energy drift too large 5.81658842323702 + 12.0868274704428 split increased to 2 itime 964063 + itsplit 1 + acceleration/energy drift too large 5.37953155399738 + 12.3513370140863 split increased to 2 itime 964088 + itsplit 1 + acceleration/energy drift too large 2.45218528935955 + 12.6039705361385 split increased to 2 itime 964590 + itsplit 1 + acceleration/energy drift too large 7.04515670097251 + 15.6984093930994 split increased to 2 itime 964910 itsplit 1 Momenta zeroed out, time 192999.80 - acceleration/energy drift too large 5.43755351990261 - 25.0308775606905 split increased to 2 itime 965227 + acceleration/energy drift too large 2.02376899534204 + 13.8705376485198 split increased to 2 itime 965340 itsplit 1 - acceleration/energy drift too large 2.03439688024105 - 18.8445154434888 split increased to 2 itime 965228 + acceleration/energy drift too large 3.52775755221493 + 22.2560466201668 split increased to 2 itime 965618 itsplit 1 - acceleration/energy drift too large 6.07502916983926 - 23.0594117711795 split increased to 2 itime 965595 + acceleration/energy drift too large 15.2609658206373 + 97.0750823888165 split increased to 2 itime 965937 itsplit 1 Momenta zeroed out, time 193199.80 - acceleration/energy drift too large 3.49169207015854 - 22.1650675749570 split increased to 2 itime 966613 + acceleration/energy drift too large 6.29774484178705 + 15.6895492233872 split increased to 2 itime 966514 itsplit 1 Momenta zeroed out, time 193399.80 + acceleration/energy drift too large 8.25073989313188 + 29.0351309410350 split increased to 2 itime 967503 + itsplit 1 + acceleration/energy drift too large 3.08823442538002 + 16.5304704479260 split increased to 2 itime 967716 + itsplit 1 + acceleration/energy drift too large 3.56662114402234 + 11.0682685619333 split increased to 2 itime 967930 + itsplit 1 Momenta zeroed out, time 193599.80 -Momenta zeroed out, time 193799.80 - acceleration/energy drift too large 6.12909773345602 - 16.2207934670555 split increased to 2 itime 969681 + acceleration/energy drift too large 4.01976100143736 + 10.1349032228359 split increased to 2 itime 968946 itsplit 1 +Momenta zeroed out, time 193799.80 Velocities reset to random values, time 193999.80 Momenta zeroed out, time 193999.80 - acceleration/energy drift too large 6.21485514813754 - 11.5228663402201 split increased to 2 itime 970753 + acceleration/energy drift too large 2.17795359308490 + 10.0192944605561 split increased to 2 itime 970515 itsplit 1 Momenta zeroed out, time 194199.80 - acceleration/energy drift too large 2.73095197899428 - 24.8173505778319 split increased to 2 itime 971741 + acceleration/energy drift too large 3.55386056023440 + 11.2572077135150 split increased to 2 itime 971680 itsplit 1 -Momenta zeroed out, time 194399.80 - acceleration/energy drift too large 12.0042705537662 - 68.4599100853447 split increased to 2 itime 972122 + acceleration/energy drift too large 6.20335461982229 + 12.3177736771869 split increased to 2 itime 971946 itsplit 1 - acceleration/energy drift too large 3.02318600881196 - 17.2644902528030 split increased to 4 itime 972122 - itsplit 2 +Momenta zeroed out, time 194399.80 Momenta zeroed out, time 194599.80 + acceleration/energy drift too large 3.09578531681258 + 18.9788932915633 split increased to 2 itime 973387 + itsplit 1 Momenta zeroed out, time 194799.80 + acceleration/energy drift too large 3.85726676612686 + 18.9380885163535 split increased to 2 itime 974589 + itsplit 1 Momenta zeroed out, time 194999.80 Momenta zeroed out, time 195199.80 - acceleration/energy drift too large 2.91369930010102 - 15.8250612705965 split increased to 2 itime 976093 + acceleration/energy drift too large 6.77118271126520 + 17.3436247632342 split increased to 2 itime 976079 + itsplit 1 + acceleration/energy drift too large 8.46481505433754 + 34.6450560030810 split increased to 2 itime 976287 + itsplit 1 + acceleration/energy drift too large 2.89713324290634 + 10.3951812848957 split increased to 2 itime 976533 itsplit 1 Momenta zeroed out, time 195399.80 - acceleration/energy drift too large 5.04432283382870 - 14.0257333600910 split increased to 2 itime 977310 + acceleration/energy drift too large 3.57475764287956 + 14.4060743887320 split increased to 2 itime 977237 itsplit 1 Momenta zeroed out, time 195599.80 + acceleration/energy drift too large 5.94646137533256 + 13.7663269007481 split increased to 2 itime 978126 + itsplit 1 Momenta zeroed out, time 195799.80 - acceleration/energy drift too large 5.99361224021016 - 14.6544619526852 split increased to 2 itime 979883 + acceleration/energy drift too large 4.69441906671640 + 18.8343473703442 split increased to 2 itime 979787 itsplit 1 Velocities reset to random values, time 195999.80 Momenta zeroed out, time 195999.80 - acceleration/energy drift too large 2.14404907438086 - 11.4541002390384 split increased to 2 itime 980333 - itsplit 1 - acceleration/energy drift too large 4.00465824963740 - 10.4200024770176 split increased to 2 itime 980689 - itsplit 1 Momenta zeroed out, time 196199.80 + acceleration/energy drift too large 3.51804806019468 + 10.8848848749224 split increased to 2 itime 981798 + itsplit 1 Momenta zeroed out, time 196399.80 -Momenta zeroed out, time 196599.80 - acceleration/energy drift too large 4.29249464214088 - 16.4221121748444 split increased to 2 itime 983207 + acceleration/energy drift too large 2.82399415701623 + 17.2967251434885 split increased to 2 itime 982819 itsplit 1 - acceleration/energy drift too large 5.66163726499774 - 20.2282864050460 split increased to 2 itime 983650 + acceleration/energy drift too large 3.11247137754491 + 12.5597107982358 split increased to 2 itime 982979 itsplit 1 - acceleration/energy drift too large 4.76524729771268 - 10.8559880806410 split increased to 2 itime 983800 + acceleration/energy drift too large 9.33565034911110 + 39.9303410190092 split increased to 2 itime 982991 + itsplit 1 +Momenta zeroed out, time 196599.80 + acceleration/energy drift too large 4.24242930006207 + 14.6696872540187 split increased to 2 itime 983799 + itsplit 1 + acceleration/energy drift too large 4.28379090434117 + 23.5341808964836 split increased to 2 itime 983972 itsplit 1 Momenta zeroed out, time 196799.80 -Momenta zeroed out, time 196999.80 - acceleration/energy drift too large 11.6088308838552 - 62.7594845113506 split increased to 2 itime 985283 + acceleration/energy drift too large 2.29205626766361 + 12.4765656247358 split increased to 2 itime 984963 itsplit 1 - acceleration/energy drift too large 6.20502714078650 - 19.5711514100589 split increased to 2 itime 985856 +Momenta zeroed out, time 196999.80 + acceleration/energy drift too large 5.83448188286563 + 25.1927872601466 split increased to 2 itime 985978 itsplit 1 Momenta zeroed out, time 197199.80 - acceleration/energy drift too large 6.27677977897816 - 18.2171951782769 split increased to 2 itime 986124 + acceleration/energy drift too large 10.8877200227204 + 52.8875433003506 split increased to 2 itime 986875 itsplit 1 -Momenta zeroed out, time 197399.80 - acceleration/energy drift too large 4.91213044954791 - 17.1587315758639 split increased to 2 itime 987277 + acceleration/energy drift too large 1.77502817961635 + 11.8275259585024 split increased to 2 itime 986876 itsplit 1 - acceleration/energy drift too large 6.13416914242605 - 18.6894843883381 split increased to 2 itime 987665 +Momenta zeroed out, time 197399.80 + acceleration/energy drift too large 5.95785210948419 + 18.2212342221831 split increased to 2 itime 987719 itsplit 1 - acceleration/energy drift too large 5.86381992191912 - 13.4779908409195 split increased to 2 itime 987817 + acceleration/energy drift too large 9.42804233729287 + 37.9784005573442 split increased to 2 itime 987856 itsplit 1 Momenta zeroed out, time 197599.80 Momenta zeroed out, time 197799.80 Velocities reset to random values, time 197999.80 Momenta zeroed out, time 197999.80 - acceleration/energy drift too large 4.78734413828953 - 13.6609250096322 split increased to 2 itime 990486 + acceleration/energy drift too large 4.35559881544837 + 13.5933365663074 split increased to 2 itime 990954 itsplit 1 Momenta zeroed out, time 198199.80 -Momenta zeroed out, time 198399.80 - acceleration/energy drift too large 5.81721519642138 - 10.5914220860423 split increased to 2 itime 992051 + acceleration/energy drift too large 4.68981359226657 + 22.3499417155997 split increased to 2 itime 991163 itsplit 1 - acceleration/energy drift too large 6.37544696161918 - 18.1335788178930 split increased to 2 itime 992521 + acceleration/energy drift too large 4.07799165989196 + 25.0708682707398 split increased to 2 itime 991496 itsplit 1 - acceleration/energy drift too large 5.30525357299718 - 14.8356270523794 split increased to 2 itime 992626 + acceleration/energy drift too large 4.25240357805470 + 22.3277687860722 split increased to 2 itime 991622 + itsplit 1 +Momenta zeroed out, time 198399.80 + acceleration/energy drift too large 5.94522866903225 + 44.3981733918464 split increased to 2 itime 992808 itsplit 1 Momenta zeroed out, time 198599.80 - acceleration/energy drift too large 5.52577749072734 - 14.9391773359347 split increased to 2 itime 993085 + acceleration/energy drift too large 5.82596931904866 + 21.7907755731782 split increased to 2 itime 993191 itsplit 1 - acceleration/energy drift too large 8.86954362033043 - 20.0067531411369 split increased to 2 itime 993122 + acceleration/energy drift too large 2.64866804740678 + 10.3174273292006 split increased to 2 itime 993812 itsplit 1 Momenta zeroed out, time 198799.80 - acceleration/energy drift too large 6.58583662335021 - 21.3551081409374 split increased to 2 itime 994765 - itsplit 1 Momenta zeroed out, time 198999.80 - acceleration/energy drift too large 5.66342376020306 - 32.0565044781806 split increased to 2 itime 995382 - itsplit 1 - acceleration/energy drift too large 7.32787008915880 - 11.1645865640362 split increased to 2 itime 995383 - itsplit 1 Momenta zeroed out, time 199199.80 + acceleration/energy drift too large 5.24171569543177 + 13.1921695039990 split increased to 2 itime 996334 + itsplit 1 Momenta zeroed out, time 199399.80 - acceleration/energy drift too large 15.4174122275997 - 121.909647614577 split increased to 2 itime 997475 + acceleration/energy drift too large 5.28906385793724 + 21.9783006341846 split increased to 2 itime 997024 + itsplit 1 + acceleration/energy drift too large 3.31892431053486 + 22.5060506211474 split increased to 2 itime 997536 + itsplit 1 + acceleration/energy drift too large 9.17839200019229 + 42.8038664859255 split increased to 2 itime 997765 + itsplit 1 + acceleration/energy drift too large 5.93681210442767 + 13.1062462650758 split increased to 2 itime 997904 itsplit 1 Momenta zeroed out, time 199599.80 - acceleration/energy drift too large 10.5472715516360 - 51.0063590777854 split increased to 2 itime 998147 + acceleration/energy drift too large 4.19589519633603 + 13.4930991071059 split increased to 2 itime 998604 itsplit 1 Momenta zeroed out, time 199799.80 + acceleration/energy drift too large 6.49286448905169 + 13.2275752797417 split increased to 2 itime 999347 + itsplit 1 + acceleration/energy drift too large 6.66649775002055 + 22.7194577597303 split increased to 2 itime 999764 + itsplit 1 + acceleration/energy drift too large 5.27780335624920 + 21.0448070713183 split increased to 2 itime 999933 + itsplit 1 Velocities reset to random values, time 199999.80 Momenta zeroed out, time 199999.80 =================================== Timing =================================== - MD calculations setup: 1.17188E-02 - Energy & gradient evaluation: 3.73445E+02 + MD calculations setup: 1.56250E-02 + Energy & gradient evaluation: 3.33070E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.07406E+02 + MD steps: 3.54570E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 418.550781250000 sec + Total wall clock time 365.386718750000 sec diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_000.rst b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_000.rst index ba05e62..0e8218d 100644 --- a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_000.rst +++ b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_000.rst @@ -1,90 +1,90 @@ - 200000.000002666 28.1537037088690 -38.7972811255083 - -10.6435774166393 300.000000000000 + 200000.000002666 31.8130446187236 -31.1980132201947 + 0.615031398528949 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - 0.17767E+00 0.80303E-01 -0.22543E+00 - -0.32152E+00 -0.20187E+00 -0.12322E+00 - 0.90466E-01 0.80386E-01 0.26076E+00 - 0.13617E+00 -0.13795E-01 -0.16343E+00 - -0.11662E+00 0.17331E+00 0.11164E-01 - 0.89743E-01 -0.11062E+00 0.15144E+00 - -0.56062E-01 0.12956E-01 -0.77015E-01 - 0.12222E+00 0.17326E+00 0.85155E-01 - -0.26644E+00 -0.28461E+00 -0.10047E+00 - 0.82038E-01 0.20076E+00 0.46277E-01 - 0.67784E-01 -0.65904E-01 -0.20654E-01 - -0.19178E+00 0.52946E-01 0.65272E-02 - 0.17684E+00 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diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_007.rst b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_007.rst index 0442a46..09c9584 100644 --- a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_007.rst +++ b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_007.rst @@ -1,90 +1,90 @@ - 200000.000002666 25.2373488845292 -29.7625569110435 - -4.52520802651433 300.000000000000 + 200000.000002666 28.5710047227727 -40.4943382683766 + -11.9233335456039 300.000000000000 0.00000E+00 0.00000E+00 0.00000E+00 - -0.52859E+00 0.31110E+00 0.50814E+00 - 0.37451E+00 -0.26777E+00 -0.12620E+00 - -0.16886E+00 -0.11119E+00 -0.18883E-01 - 0.90975E-01 0.17398E+00 0.15218E+00 - -0.70419E-01 -0.11738E+00 -0.19202E+00 - -0.17206E-01 0.23377E+00 -0.11830E+00 - 0.28817E-01 0.30412E-02 0.18767E+00 - -0.30265E-01 -0.11377E+00 0.30100E-01 - 0.37751E-01 -0.37788E-01 0.10733E+00 - -0.99882E-01 -0.35651E-01 -0.50680E-01 - 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8.274 2 - 770000 154000.00 22.437 -35.499 -13.062 4.84 0.071 0.917 0.405 0.987 203.560 300.000 7.010 2 - 780000 156000.00 26.437 -37.120 -10.682 4.37 0.429 0.455 0.244 1.087 239.854 300.000 7.207 2 - 790000 158000.00 31.100 -23.722 7.378 4.64 0.143 0.600 0.200 1.694 282.157 300.000 8.597 2 - 800000 160000.00 30.734 -28.841 1.893 6.26 0.214 0.727 0.368 1.783 278.836 300.000 7.310 2 - 810000 162000.00 31.963 -18.585 13.378 3.32 0.357 0.375 0.261 1.206 289.984 300.000 7.350 2 - 820000 164000.00 34.083 -26.362 7.721 5.77 0.143 0.500 0.159 1.991 309.220 300.000 9.302 2 - 830000 166000.00 28.535 -14.884 13.651 4.46 0.071 0.667 0.318 2.643 258.881 300.000 7.801 2 - 840000 168000.00 31.252 -12.490 18.761 4.11 0.143 0.667 0.250 1.957 283.533 300.000 8.234 2 - 850000 170000.00 31.909 -31.177 0.733 5.39 0.286 0.636 0.318 1.533 289.499 300.000 7.174 2 - 860000 172000.00 30.045 -35.040 -4.996 4.66 0.143 0.833 0.318 2.302 272.581 300.000 6.752 2 - 870000 174000.00 21.850 -30.673 -8.822 4.90 0.214 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0.667 0.364 1.250 301.997 300.000 7.014 3 diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_GB004.stat b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_GB004.stat index 50a493f..b1c9d7e 100644 --- a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_GB004.stat +++ b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_GB004.stat @@ -1,101 +1,101 @@ - 0 0.00 27.886 662.810 690.695 0.00 1.000 0.000 0.308 8.660 252.992 300.000 7.001 4 - 10000 2000.00 28.446 -28.210 0.235 6.85 0.214 0.700 0.209 1.102 258.075 300.000 7.478 4 - 20000 4000.00 26.379 -20.606 5.773 4.60 0.214 0.571 0.390 1.966 239.325 300.000 7.594 4 - 30000 6000.00 33.705 -21.035 12.670 4.77 0.286 0.333 0.409 1.267 305.785 300.000 7.789 4 - 40000 8000.00 33.018 -34.211 -1.194 3.82 0.286 0.636 0.318 1.787 299.552 300.000 7.637 4 - 50000 10000.00 31.539 -17.005 14.533 5.66 0.071 0.800 0.309 4.089 286.136 300.000 7.220 4 - 60000 12000.00 23.801 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300.000 7.005 4 - 280000 56000.00 26.801 -27.604 -0.804 4.03 0.000 1.000 0.295 3.515 243.151 300.000 7.430 4 - 290000 58000.00 28.304 -23.413 4.891 3.62 0.000 1.000 0.394 1.571 256.792 300.000 8.013 4 - 300000 60000.00 33.688 -28.858 4.830 3.39 0.286 0.429 0.175 2.405 305.635 300.000 8.058 4 - 310000 62000.00 25.431 -30.085 -4.654 4.94 0.214 0.667 0.247 2.066 230.723 300.000 7.511 4 - 320000 64000.00 32.612 -20.359 12.254 5.42 0.357 0.545 0.190 2.600 295.876 300.000 7.235 4 - 330000 66000.00 28.821 -29.469 -0.647 5.11 0.214 0.786 0.263 0.930 261.482 300.000 6.941 4 - 340000 68000.00 30.773 -16.700 14.073 5.86 0.071 0.750 0.295 2.805 279.186 300.000 9.126 4 - 350000 70000.00 31.129 -19.435 11.694 3.78 0.071 0.875 0.290 1.627 282.418 300.000 7.698 4 - 360000 72000.00 21.315 -32.724 -11.409 4.93 0.286 0.692 0.231 3.594 193.376 300.000 7.453 4 - 370000 74000.00 34.410 -33.033 1.377 5.36 0.214 0.625 0.261 1.274 312.186 300.000 7.420 4 - 380000 76000.00 30.544 -26.285 4.259 4.49 0.143 0.500 0.284 1.401 277.111 300.000 8.051 4 - 390000 78000.00 28.745 -16.237 12.508 5.72 0.286 0.500 0.176 2.378 260.788 300.000 9.338 4 - 400000 80000.00 34.608 -18.134 16.474 5.18 0.143 0.818 0.413 3.063 313.979 300.000 7.197 4 - 410000 82000.00 26.747 -29.167 -2.420 4.92 0.214 0.700 0.323 1.708 242.665 300.000 7.387 4 - 420000 84000.00 28.416 -24.318 4.098 3.04 0.286 0.500 0.205 1.470 257.808 300.000 7.677 4 - 430000 86000.00 29.323 -22.424 6.900 4.27 0.214 0.571 0.240 2.064 266.035 300.000 8.374 4 - 440000 88000.00 28.310 -32.210 -3.900 3.78 0.286 0.667 0.333 2.110 256.841 300.000 6.389 4 - 450000 90000.00 26.248 -30.641 -4.393 3.21 0.429 0.455 0.302 1.565 238.138 300.000 6.765 4 - 460000 92000.00 27.835 -34.689 -6.854 2.24 0.214 0.667 0.298 1.646 252.532 300.000 7.359 4 - 470000 94000.00 26.512 -32.899 -6.387 4.20 0.214 0.667 0.237 2.949 240.531 300.000 6.904 4 - 480000 96000.00 31.219 -39.480 -8.261 3.89 0.214 0.700 0.250 1.935 283.239 300.000 7.047 4 - 490000 98000.00 35.144 -24.075 11.070 3.76 0.286 0.600 0.295 1.328 318.849 300.000 6.539 4 - 500000 100000.00 30.492 -41.945 -11.453 3.86 0.214 0.750 0.295 1.087 276.642 300.000 6.941 4 - 510000 102000.00 26.567 -39.619 -13.052 4.23 0.071 0.917 0.311 2.413 241.030 300.000 7.326 4 - 520000 104000.00 32.806 -18.569 14.236 3.46 0.214 0.250 0.159 1.589 297.629 300.000 7.742 4 - 530000 106000.00 25.248 -44.114 -18.867 2.81 0.286 0.500 0.369 1.578 229.059 300.000 6.907 4 - 540000 108000.00 31.318 -32.373 -1.055 1.65 0.357 0.500 0.295 1.728 284.132 300.000 7.022 4 - 550000 110000.00 34.978 -31.166 3.812 5.97 0.357 0.500 0.177 2.155 317.338 300.000 7.734 4 - 560000 112000.00 29.329 -31.359 -2.031 3.46 0.286 0.429 0.266 2.172 266.085 300.000 7.490 4 - 570000 114000.00 28.417 -31.114 -2.697 2.45 0.500 0.500 0.289 2.197 257.813 300.000 6.940 4 - 580000 116000.00 31.814 -25.382 6.432 6.18 0.214 0.667 0.212 1.456 288.633 300.000 7.683 4 - 590000 118000.00 29.628 -22.023 7.605 5.02 0.286 0.429 0.253 1.189 268.801 300.000 7.598 4 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144000.00 25.375 -12.358 13.017 4.46 0.071 0.750 0.182 1.711 230.211 300.000 8.295 7 - 730000 146000.00 34.965 -31.547 3.418 3.99 0.214 0.800 0.312 2.646 317.220 300.000 7.417 7 - 740000 148000.00 32.376 -27.879 4.497 5.64 0.357 0.615 0.262 2.223 293.727 300.000 7.193 7 - 750000 150000.00 24.938 -33.110 -8.172 4.98 0.214 0.500 0.182 1.430 226.248 300.000 7.554 7 - 760000 152000.00 29.004 -40.164 -11.160 7.11 0.286 0.692 0.227 1.602 263.142 300.000 7.616 7 - 770000 154000.00 26.333 -33.926 -7.593 2.25 0.357 0.545 0.314 0.926 238.909 300.000 7.107 7 - 780000 156000.00 25.823 -15.747 10.076 6.51 0.071 0.800 0.245 3.594 234.280 300.000 7.902 7 - 790000 158000.00 27.174 -31.499 -4.326 3.59 0.286 0.556 0.258 1.278 246.533 300.000 7.546 7 - 800000 160000.00 31.587 -33.560 -1.973 4.10 0.143 0.778 0.237 1.875 286.572 300.000 7.430 7 - 810000 162000.00 27.970 -28.156 -0.186 2.80 0.071 0.833 0.174 1.223 253.757 300.000 7.501 7 - 820000 164000.00 31.213 -32.563 -1.350 4.30 0.143 0.667 0.265 1.376 283.181 300.000 7.281 7 - 830000 166000.00 27.957 -37.663 -9.707 4.05 0.143 0.833 0.413 1.279 253.637 300.000 7.007 7 - 840000 168000.00 31.815 -32.467 -0.653 4.43 0.214 0.700 0.259 1.655 288.638 300.000 7.579 7 - 850000 170000.00 28.938 -15.348 13.589 4.58 0.143 0.667 0.371 0.655 262.537 300.000 7.984 7 - 860000 172000.00 31.825 -35.479 -3.654 4.37 0.357 0.583 0.216 1.751 288.735 300.000 7.601 7 - 870000 174000.00 35.259 -24.527 10.733 5.35 0.286 0.429 0.195 1.330 319.891 300.000 7.519 7 - 880000 176000.00 35.925 -32.269 3.655 5.79 0.214 0.625 0.205 2.187 325.926 300.000 8.544 7 - 890000 178000.00 25.860 -18.009 7.851 6.16 0.214 0.571 0.208 2.272 234.611 300.000 8.353 7 - 900000 180000.00 34.495 -5.665 28.830 5.60 0.286 0.000 0.159 1.823 312.958 300.000 9.282 7 - 910000 182000.00 36.041 -25.644 10.397 3.94 0.357 0.500 0.223 2.232 326.982 300.000 7.432 7 - 920000 184000.00 21.518 -16.223 5.294 5.15 0.071 0.875 0.375 2.725 195.219 300.000 7.140 7 - 930000 186000.00 25.508 -19.463 6.045 5.36 0.071 0.750 0.205 1.061 231.421 300.000 8.201 7 - 940000 188000.00 27.827 -34.656 -6.830 3.81 0.214 0.625 0.301 2.443 252.458 300.000 7.559 7 - 950000 190000.00 29.254 -34.997 -5.743 3.27 0.286 0.733 0.342 1.993 265.409 300.000 6.407 7 - 960000 192000.00 30.933 -30.157 0.776 2.70 0.429 0.600 0.276 1.348 280.643 300.000 6.951 7 - 970000 194000.00 24.733 -35.468 -10.735 4.11 0.357 0.615 0.304 1.087 224.391 300.000 6.763 7 - 980000 196000.00 29.439 -38.263 -8.825 4.18 0.429 0.600 0.345 1.665 267.083 300.000 6.706 7 - 990000 198000.00 23.153 -24.792 -1.639 3.42 0.286 0.750 0.321 2.223 210.060 300.000 6.626 7 - 1000000 200000.00 25.237 -29.763 -4.525 4.01 0.286 0.600 0.386 2.143 228.966 300.000 7.045 7 + 0 0.00 36.440 660.530 696.970 0.00 1.000 0.000 0.308 8.711 330.602 300.000 7.001 7 + 10000 2000.00 37.164 -34.460 2.704 4.21 0.143 0.846 0.395 2.075 337.170 300.000 6.747 7 + 20000 4000.00 37.396 -35.821 1.575 6.43 0.214 0.800 0.242 1.264 339.278 300.000 7.462 7 + 30000 6000.00 24.766 -48.470 -23.704 2.47 0.500 0.462 0.248 1.309 224.689 300.000 6.603 7 + 40000 8000.00 31.039 -33.272 -2.233 4.11 0.357 0.444 0.182 1.165 281.602 300.000 7.730 7 + 50000 10000.00 22.809 -43.709 -20.900 6.97 0.071 0.875 0.216 3.255 206.940 300.000 7.350 7 + 60000 12000.00 29.805 -31.910 -2.106 3.02 0.214 0.786 0.331 1.545 270.404 300.000 7.044 7 + 70000 14000.00 25.978 -34.400 -8.422 4.17 0.143 0.778 0.318 0.925 235.686 300.000 8.282 7 + 80000 16000.00 33.601 -41.596 -7.995 4.05 0.143 0.833 0.356 2.018 304.841 300.000 6.767 7 + 90000 18000.00 27.700 -38.012 -10.311 3.77 0.357 0.667 0.258 1.962 251.310 300.000 6.818 7 + 100000 20000.00 30.865 -30.507 0.359 2.98 0.429 0.250 0.233 2.454 280.025 300.000 7.359 7 + 110000 22000.00 29.423 -35.008 -5.584 2.97 0.286 0.667 0.269 1.616 266.945 300.000 6.955 7 + 120000 24000.00 26.209 -38.023 -11.814 6.99 0.143 0.778 0.217 1.447 237.782 300.000 7.424 7 + 130000 26000.00 30.704 -43.428 -12.724 5.24 0.429 0.600 0.224 1.582 278.564 300.000 7.475 7 + 140000 28000.00 31.240 -43.450 -12.210 6.23 0.214 0.727 0.202 1.857 283.426 300.000 7.715 7 + 150000 30000.00 24.631 -39.569 -14.938 3.43 0.286 0.556 0.328 1.170 223.462 300.000 7.500 7 + 160000 32000.00 26.118 -32.706 -6.588 6.80 0.286 0.636 0.202 1.563 236.959 300.000 7.703 7 + 170000 34000.00 22.063 -41.045 -18.981 4.50 0.286 0.750 0.301 2.998 200.168 300.000 6.667 7 + 180000 36000.00 37.041 -37.340 -0.300 5.04 0.214 0.700 0.268 1.286 336.054 300.000 6.950 7 + 190000 38000.00 27.050 -40.324 -13.274 5.11 0.286 0.636 0.331 1.898 245.414 300.000 6.897 7 + 200000 40000.00 30.181 -34.169 -3.987 5.77 0.143 0.714 0.240 1.629 273.818 300.000 7.694 7 + 210000 42000.00 28.506 -24.156 4.350 5.11 0.286 0.500 0.318 1.398 258.621 300.000 6.688 7 + 220000 44000.00 24.863 -41.215 -16.352 4.90 0.214 0.667 0.394 1.735 225.567 300.000 7.058 7 + 230000 46000.00 28.700 -41.148 -12.448 4.84 0.214 0.769 0.280 1.837 260.382 300.000 6.993 7 + 240000 48000.00 28.344 -33.502 -5.158 7.36 0.143 0.600 0.155 0.998 257.151 300.000 9.393 7 + 250000 50000.00 40.104 -27.778 12.326 3.14 0.143 0.667 0.197 1.955 363.847 300.000 7.759 7 + 260000 52000.00 33.232 -34.005 -0.774 6.23 0.143 0.750 0.216 1.619 301.494 300.000 7.443 7 + 270000 54000.00 30.879 -24.684 6.194 5.22 0.143 0.750 0.227 2.378 280.148 300.000 7.856 7 + 280000 56000.00 26.241 -32.762 -6.521 4.73 0.143 0.778 0.308 0.951 238.071 300.000 7.153 7 + 290000 58000.00 39.675 -42.570 -2.895 4.90 0.286 0.692 0.350 1.086 359.948 300.000 6.915 7 + 300000 60000.00 28.033 -35.357 -7.324 5.05 0.429 0.333 0.152 1.937 254.327 300.000 8.168 7 + 310000 62000.00 27.272 -36.528 -9.256 2.99 0.429 0.600 0.336 1.780 247.424 300.000 6.970 7 + 320000 64000.00 31.371 -49.142 -17.771 1.99 0.500 0.364 0.240 1.655 284.614 300.000 6.790 7 + 330000 66000.00 33.039 -36.296 -3.257 2.61 0.286 0.714 0.279 1.870 299.744 300.000 7.108 7 + 340000 68000.00 27.276 -40.628 -13.353 3.44 0.571 0.385 0.294 0.865 247.459 300.000 7.523 7 + 350000 70000.00 23.839 -46.859 -23.020 2.38 0.571 0.273 0.318 1.426 216.279 300.000 6.966 7 + 360000 72000.00 37.206 -44.400 -7.194 3.45 0.286 0.714 0.364 1.358 337.551 300.000 6.192 7 + 370000 74000.00 36.985 -32.169 4.816 3.68 0.143 0.800 0.264 1.461 335.546 300.000 6.940 7 + 380000 76000.00 44.050 -21.609 22.441 3.01 0.214 0.625 0.347 2.693 399.645 300.000 7.159 7 + 390000 78000.00 19.345 -50.234 -30.888 2.64 0.071 0.875 0.358 1.324 175.508 300.000 6.583 7 + 400000 80000.00 26.062 -35.582 -9.520 3.55 0.071 0.923 0.290 1.086 236.446 300.000 7.101 7 + 410000 82000.00 24.557 -20.091 4.466 3.44 0.214 0.400 0.264 0.920 222.798 300.000 7.828 7 + 420000 84000.00 24.721 -37.374 -12.653 5.94 0.286 0.667 0.326 1.663 224.284 300.000 6.854 7 + 430000 86000.00 24.239 -35.449 -11.210 3.91 0.286 0.556 0.217 0.947 219.911 300.000 7.520 7 + 440000 88000.00 26.968 -28.363 -1.396 4.23 0.214 0.667 0.343 1.215 244.665 300.000 7.096 7 + 450000 90000.00 30.824 -35.877 -5.053 3.95 0.214 0.700 0.318 4.168 279.652 300.000 7.304 7 + 460000 92000.00 31.472 -28.782 2.690 4.68 0.071 0.000 0.136 0.606 285.527 300.000 7.919 7 + 470000 94000.00 27.053 -39.551 -12.498 4.91 0.286 0.600 0.273 1.902 245.440 300.000 6.887 7 + 480000 96000.00 29.746 -34.830 -5.084 5.75 0.357 0.500 0.368 2.338 269.867 300.000 6.713 7 + 490000 98000.00 28.779 -26.301 2.478 6.76 0.357 0.583 0.277 1.921 261.096 300.000 6.842 7 + 500000 100000.00 29.285 -32.341 -3.056 5.88 0.357 0.706 0.291 1.074 265.689 300.000 6.627 7 + 510000 102000.00 30.007 -29.699 0.308 6.10 0.286 0.636 0.252 1.324 272.242 300.000 7.497 7 + 520000 104000.00 31.851 -36.837 -4.987 3.10 0.286 0.692 0.255 2.126 288.966 300.000 7.317 7 + 530000 106000.00 28.296 -19.625 8.671 4.43 0.000 1.000 0.424 1.922 256.715 300.000 7.644 7 + 540000 108000.00 23.695 -28.279 -4.584 5.14 0.286 0.200 0.155 1.702 214.974 300.000 8.418 7 + 550000 110000.00 25.806 -44.212 -18.406 3.18 0.286 0.600 0.318 1.922 234.125 300.000 6.901 7 + 560000 112000.00 21.886 -31.296 -9.410 5.03 0.143 0.800 0.259 1.713 198.559 300.000 6.792 7 + 570000 114000.00 33.671 -43.939 -10.268 3.04 0.286 0.692 0.409 1.577 305.478 300.000 6.882 7 + 580000 116000.00 32.917 -47.833 -14.916 3.93 0.286 0.667 0.280 1.342 298.642 300.000 6.565 7 + 590000 118000.00 34.425 -47.215 -12.790 2.34 0.500 0.417 0.314 1.658 312.319 300.000 6.469 7 + 600000 120000.00 36.253 -23.361 12.893 3.96 0.143 0.800 0.345 1.546 328.910 300.000 6.559 7 + 610000 122000.00 26.291 -41.199 -14.909 3.82 0.214 0.625 0.335 3.888 238.524 300.000 6.842 7 + 620000 124000.00 28.401 -45.413 -17.011 2.90 0.429 0.538 0.364 1.508 257.670 300.000 6.908 7 + 630000 126000.00 29.403 -36.878 -7.475 3.59 0.429 0.667 0.356 1.572 266.759 300.000 6.296 7 + 640000 128000.00 26.379 -42.739 -16.360 5.35 0.429 0.538 0.308 2.358 239.322 300.000 6.659 7 + 650000 130000.00 38.512 -36.317 2.195 6.26 0.143 0.867 0.315 3.519 349.400 300.000 6.601 7 + 660000 132000.00 31.049 -21.403 9.646 5.01 0.143 0.667 0.295 1.456 281.695 300.000 7.276 7 + 670000 134000.00 31.116 -40.951 -9.835 4.59 0.071 0.917 0.398 1.470 282.302 300.000 7.022 7 + 680000 136000.00 33.665 -41.576 -7.912 3.96 0.286 0.556 0.283 1.775 305.422 300.000 7.308 7 + 690000 138000.00 27.384 -19.890 7.494 5.07 0.071 0.750 0.193 3.622 248.439 300.000 9.186 7 + 700000 140000.00 25.012 -33.441 -8.429 5.11 0.143 0.600 0.182 1.858 226.918 300.000 7.471 7 + 710000 142000.00 33.538 -31.117 2.421 5.98 0.214 0.667 0.192 1.960 304.272 300.000 7.365 7 + 720000 144000.00 21.184 -23.644 -2.459 3.48 0.143 0.818 0.289 1.920 192.195 300.000 7.273 7 + 730000 146000.00 30.394 -28.592 1.802 4.16 0.143 0.750 0.176 1.484 275.753 300.000 8.042 7 + 740000 148000.00 28.971 -31.837 -2.865 2.95 0.286 0.429 0.227 1.903 262.844 300.000 7.665 7 + 750000 150000.00 29.856 -30.454 -0.598 3.87 0.143 0.750 0.205 1.545 270.867 300.000 7.397 7 + 760000 152000.00 31.446 -22.850 8.596 4.64 0.214 0.571 0.162 1.166 285.291 300.000 8.143 7 + 770000 154000.00 22.571 -30.886 -8.315 6.29 0.214 0.625 0.170 1.358 204.775 300.000 10.409 7 + 780000 156000.00 29.288 -40.056 -10.768 1.77 0.429 0.500 0.337 3.052 265.716 300.000 6.792 7 + 790000 158000.00 26.993 -21.671 5.321 6.52 0.214 0.500 0.182 1.462 244.891 300.000 9.611 7 + 800000 160000.00 29.880 -34.434 -4.555 2.77 0.286 0.667 0.288 1.589 271.086 300.000 7.162 7 + 810000 162000.00 25.941 -42.045 -16.104 3.08 0.286 0.636 0.215 1.118 235.354 300.000 7.421 7 + 820000 164000.00 31.822 -43.711 -11.889 2.48 0.286 0.714 0.380 1.335 288.709 300.000 6.760 7 + 830000 166000.00 26.774 -42.096 -15.322 3.00 0.357 0.583 0.288 1.114 242.910 300.000 6.757 7 + 840000 168000.00 34.222 -41.863 -7.641 3.63 0.357 0.643 0.315 2.333 310.480 300.000 6.761 7 + 850000 170000.00 29.531 -47.535 -18.004 2.48 0.429 0.600 0.327 1.509 267.919 300.000 6.551 7 + 860000 172000.00 28.020 -36.269 -8.249 2.99 0.429 0.400 0.277 2.155 254.212 300.000 7.211 7 + 870000 174000.00 33.777 -41.053 -7.276 2.44 0.429 0.500 0.246 1.711 306.446 300.000 7.197 7 + 880000 176000.00 34.348 -35.272 -0.924 6.36 0.214 0.571 0.221 1.716 311.620 300.000 7.848 7 + 890000 178000.00 24.363 -42.024 -17.661 4.77 0.357 0.500 0.200 1.479 221.035 300.000 7.552 7 + 900000 180000.00 42.963 -30.800 12.163 6.98 0.214 0.625 0.188 2.298 389.781 300.000 7.333 7 + 910000 182000.00 35.629 -35.510 0.120 3.69 0.214 0.727 0.298 1.882 323.246 300.000 6.913 7 + 920000 184000.00 26.245 -38.546 -12.302 2.66 0.286 0.667 0.205 1.433 238.108 300.000 6.569 7 + 930000 186000.00 24.144 -35.732 -11.588 5.22 0.286 0.556 0.182 1.887 219.046 300.000 8.724 7 + 940000 188000.00 27.328 -41.940 -14.612 6.15 0.286 0.636 0.223 1.896 247.930 300.000 7.442 7 + 950000 190000.00 26.267 -42.471 -16.204 2.56 0.500 0.611 0.341 2.170 238.305 300.000 6.475 7 + 960000 192000.00 28.559 -36.481 -7.922 3.15 0.214 0.667 0.202 2.336 259.099 300.000 7.442 7 + 970000 194000.00 20.733 -29.227 -8.494 2.48 0.357 0.375 0.312 0.854 188.102 300.000 7.142 7 + 980000 196000.00 31.951 -44.710 -12.759 2.55 0.500 0.588 0.329 2.177 289.875 300.000 6.885 7 + 990000 198000.00 25.044 -32.783 -7.739 2.72 0.286 0.692 0.294 1.549 227.214 300.000 6.564 7 + 1000000 200000.00 28.571 -40.494 -11.923 2.04 0.714 0.444 0.321 2.435 259.211 300.000 6.607 7 diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD000.cx b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD000.cx index 71bc47c..e542d63 100644 Binary files a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD000.cx and b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD000.cx differ diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD001.cx b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD001.cx index 9272d1b..4bf1508 100644 Binary files a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD001.cx and b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD001.cx differ diff --git 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a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD004.cx and b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD004.cx differ diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD005.cx b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD005.cx index 0cb6593..851f563 100644 Binary files a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD005.cx and b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD005.cx differ diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD006.cx b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD006.cx index 69e2a7e..9125578 100644 Binary files a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD006.cx and b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD006.cx differ diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD007.cx b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD007.cx index 8e72da7..e0dc29c 100644 Binary files a/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD007.cx and b/examples/unres/MD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_MD_MD007.cx differ diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/start.mat b/examples/unres/MD/with_constrains/Berendsen/ff_gab/start.mat index 25089bc..b9cf311 100755 --- a/examples/unres/MD/with_constrains/Berendsen/ff_gab/start.mat +++ b/examples/unres/MD/with_constrains/Berendsen/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N Ber-gab-MD +#PBS -N Ber-gab-micro #PBS -q dque #PBS -l nodes=1:ppn=8 -# #PBS -l mem=2gb #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/MD/with_constrains/Berendsen/ff_gab/unres.csh b/examples/unres/MD/with_constrains/Berendsen/ff_gab/unres.csh index 2652ea2..aab7235 100755 --- a/examples/unres/MD/with_constrains/Berendsen/ff_gab/unres.csh +++ b/examples/unres/MD/with_constrains/Berendsen/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_MD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD.out_GB000 b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD.out_GB000 index 1d79f2c..67751a6 100644 --- a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD.out_GB000 +++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_MREMD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -170,7 +159,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -302,14 +292,10 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 32 time before 1.562500000000000E-002 + MREMD 8 time before 2.343750000000000E-002 NREP= 16 - i2rep 1 1 2 2 3 3 4 4 5 5 - 6 6 7 7 8 8 9 9 10 10 11 - 11 12 12 13 13 14 14 15 15 16 16 - i2set 1 1 1 1 1 1 1 1 1 1 - 1 1 1 1 1 1 1 1 1 1 1 - 1 1 1 1 1 1 1 1 1 1 1 + i2rep 1 1 2 2 3 3 4 4 + i2set 1 1 1 1 1 1 1 1 i,j,il,il1,i_index(i,j,il,il1) ifirst 1 2 nupa 1: 3 4 @@ -328,54 +314,6 @@ ndowna 6: 3 4 ndowna 7: 5 6 nupa 8: 9 10 ndowna 8: 5 6 - nupa 9: 11 12 -ndowna 9: 7 8 - nupa 10: 11 12 -ndowna 10: 7 8 - nupa 11: 13 14 -ndowna 11: 9 10 - nupa 12: 13 14 -ndowna 12: 9 10 - nupa 13: 15 16 -ndowna 13: 11 12 - nupa 14: 15 16 -ndowna 14: 11 12 - nupa 15: 17 18 -ndowna 15: 13 14 - nupa 16: 17 18 -ndowna 16: 13 14 - nupa 17: 19 20 -ndowna 17: 15 16 - nupa 18: 19 20 -ndowna 18: 15 16 - nupa 19: 21 22 -ndowna 19: 17 18 - nupa 20: 21 22 -ndowna 20: 17 18 - nupa 21: 23 24 -ndowna 21: 19 20 - nupa 22: 23 24 -ndowna 22: 19 20 - nupa 23: 25 26 -ndowna 23: 21 22 - nupa 24: 25 26 -ndowna 24: 21 22 - nupa 25: 27 28 -ndowna 25: 23 24 - nupa 26: 27 28 -ndowna 26: 23 24 - nupa 27: 29 30 -ndowna 27: 25 26 - nupa 28: 29 30 -ndowna 28: 25 26 - nupa 29: 31 32 -ndowna 29: 27 28 - nupa 30: 31 32 -ndowna 30: 27 28 - nupa 31: -ndowna 31: 29 30 - nupa 32: -ndowna 32: 29 30 REMD Temperature: 250.00000 ====================MD calculation start==================== Initial velocities randomly generated @@ -405,7 +343,7 @@ ndowna 32: 29 30 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 + 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017 alpha-carbon coordinates centroid coordinates @@ -445,4107 +383,2388 @@ TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 -GLY 11 3.800 90.000 180.000 0.000 180.000 180.000 -GLY 12 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 11 3.800 90.000 180.000 0.000 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 -GLY 16 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 16 3.800 90.000 180.000 0.000 0.000 180.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 -D 22 3.800 90.000 180.000 0.000 180.000 180.000 +D 22 3.800 90.000 180.000 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p) -EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending) -ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional) -ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local) -ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order) -ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 2.499553E+01 (total) +ETOT= 2.264125E+01 (total) Initial: Kinetic energy 2.63515E+01 - potential energy 2.49955E+01 - total energy 5.13470E+01 + potential energy 2.26412E+01 + total energy 4.89928E+01 - maximum acceleration 7.10627E-01 + maximum acceleration 9.59318E-01 - Setup time 2.343750000000000E-002 - acceleration/energy drift too large 6.01872884623843 - 20.2592193941127 split increased to 2 itime 139 + Setup time 3.515625000000000E-002 + acceleration/energy drift too large 5.52096223627373 + 30.2576481198290 split increased to 2 itime 776 itsplit 1 - acceleration/energy drift too large 5.27112114968694 - 24.5947094282993 split increased to 2 itime 811 + acceleration/energy drift too large 6.12996191669062 + 32.7489836221582 split increased to 2 itime 1557 itsplit 1 - acceleration/energy drift too large 4.11749741993015 - 10.0233573756981 split increased to 2 itime 812 + acceleration/energy drift too large 1.61312447719228 + 12.8203730755910 split increased to 2 itime 1558 itsplit 1 - acceleration/energy drift too large 6.78156239205624 - 46.6376162381685 split increased to 2 itime 1036 + acceleration/energy drift too large 4.83988204146452 + 26.1575411467794 split increased to 2 itime 1882 itsplit 1 - acceleration/energy drift too large 9.31079499697821 - 31.7226708145899 split increased to 2 itime 2891 + acceleration/energy drift too large 5.31757823843249 + 12.4132005220493 split increased to 2 itime 2744 itsplit 1 - acceleration/energy drift too large 6.21988967563635 - 16.7074784854902 split increased to 2 itime 3759 + acceleration/energy drift too large 7.48441836177942 + 25.8427082755808 split increased to 2 itime 2746 itsplit 1 - acceleration/energy drift too large 1.80361188606243 - 12.1415737284860 split increased to 2 itime 4945 + acceleration/energy drift too large 5.35377496364137 + 20.9663754072443 split increased to 2 itime 3003 itsplit 1 - acceleration/energy drift too large 5.12402735643209 - 29.4650551506901 split increased to 2 itime 5095 + acceleration/energy drift too large 5.50794024693835 + 25.0973051653464 split increased to 2 itime 3683 itsplit 1 - acceleration/energy drift too large 2.83404312115991 - 14.2652706563271 split increased to 2 itime 5279 + acceleration/energy drift too large 3.93695275049900 + 14.1563168146069 split increased to 2 itime 4070 itsplit 1 - acceleration/energy drift too large 3.34004923031108 - 13.9147219048335 split increased to 2 itime 5456 + acceleration/energy drift too large 3.16855002137921 + 10.4425934720914 split increased to 2 itime 4336 itsplit 1 - acceleration/energy drift too large 3.94199203323793 - 14.7105414366802 split increased to 2 itime 5684 + acceleration/energy drift too large 3.76534924891489 + 12.4403582429723 split increased to 2 itime 4387 itsplit 1 - acceleration/energy drift too large 4.58176126929386 - 18.9652642544041 split increased to 2 itime 6659 + acceleration/energy drift too large 7.02374296836291 + 22.3132100132628 split increased to 2 itime 4920 itsplit 1 - acceleration/energy drift too large 4.23308137134488 - 20.0605747926315 split increased to 2 itime 7737 + acceleration/energy drift too large 5.35765520601897 + 17.1331535005298 split increased to 2 itime 6240 itsplit 1 - acceleration/energy drift too large 5.69874662777226 - 13.1487157869994 split increased to 2 itime 8176 + acceleration/energy drift too large 5.53265707247039 + 13.2880826398223 split increased to 2 itime 6938 itsplit 1 - acceleration/energy drift too large 8.80799290368255 - 36.1731351413900 split increased to 2 itime 8328 + acceleration/energy drift too large 1.84195209388677 + 11.3077078270368 split increased to 2 itime 7633 itsplit 1 - acceleration/energy drift too large 4.83324003078720 - 10.4766940200828 split increased to 2 itime 8736 + acceleration/energy drift too large 11.2547094213224 + 43.6487677599973 split increased to 2 itime 7655 itsplit 1 - acceleration/energy drift too large 2.74481026144746 - 15.5635977279567 split increased to 2 itime 9154 + acceleration/energy drift too large 2.43312411510038 + 11.0394351026467 split increased to 2 itime 7656 itsplit 1 -Velocities reset to random values, time 1999.80 - acceleration/energy drift too large 14.0404045922975 - 68.7798479910309 split increased to 2 itime 10160 - itsplit 1 - acceleration/energy drift too large 1.50316818806266 - 10.5002113048853 split increased to 2 itime 10590 - itsplit 1 - acceleration/energy drift too large 5.43166515803004 - 13.9130864336143 split increased to 2 itime 11052 - itsplit 1 - acceleration/energy drift too large 4.18833595053208 - 22.5560767264168 split increased to 2 itime 12025 + acceleration/energy drift too large 4.81803111291750 + 21.0032130702992 split increased to 2 itime 8920 itsplit 1 - acceleration/energy drift too large 5.05652196479640 - 14.4921485139768 split increased to 2 itime 13325 + acceleration/energy drift too large 4.07939616361409 + 10.0790452176611 split increased to 2 itime 9380 itsplit 1 - acceleration/energy drift too large 4.45939796981960 - 16.5366763212833 split increased to 2 itime 15176 - itsplit 1 - acceleration/energy drift too large 2.65463078527267 - 16.4090157418096 split increased to 2 itime 16444 +Velocities reset to random values, time 1999.80 + acceleration/energy drift too large 6.66418420870744 + 21.5938845286491 split increased to 2 itime 10016 itsplit 1 - acceleration/energy drift too large 4.83718887683354 - 14.1174528410817 split increased to 2 itime 17097 + acceleration/energy drift too large 3.68095200707226 + 15.5586218340265 split increased to 2 itime 10666 itsplit 1 - acceleration/energy drift too large 6.31119970893411 - 16.8460396165817 split increased to 2 itime 19697 + acceleration/energy drift too large 5.90599793572996 + 13.0354665280818 split increased to 2 itime 11486 itsplit 1 - acceleration/energy drift too large 4.02987312329386 - 10.3471546915559 split increased to 2 itime 19819 + acceleration/energy drift too large 10.9724591435648 + 74.4265540758012 split increased to 2 itime 14539 itsplit 1 - acceleration/energy drift too large 3.99202782706859 - 10.0203344095428 split increased to 2 itime 19834 + acceleration/energy drift too large 2.71641283601661 + 12.1179379049655 split increased to 2 itime 14939 itsplit 1 Velocities reset to random values, time 3999.80 - acceleration/energy drift too large 6.16108168523388 - 17.6884977232375 split increased to 2 itime 22438 - itsplit 1 - acceleration/energy drift too large 2.32814200502473 - 10.4235372979880 split increased to 4 itime 22438 - itsplit 1 - acceleration/energy drift too large 6.04820859670261 - 17.2116778245396 split increased to 2 itime 22949 + acceleration/energy drift too large 10.3473093872846 + 34.5543008831488 split increased to 2 itime 21143 itsplit 1 - acceleration/energy drift too large 9.39321822080475 - 40.3009380499136 split increased to 2 itime 24190 + acceleration/energy drift too large 4.68050809807107 + 14.9223730931786 split increased to 2 itime 22069 itsplit 1 - acceleration/energy drift too large 12.2349397254060 - 65.3702132086642 split increased to 2 itime 25430 + acceleration/energy drift too large 2.18059890033971 + 10.4944818570833 split increased to 2 itime 24403 itsplit 1 - acceleration/energy drift too large 3.56592545350488 - 18.7333147770938 split increased to 2 itime 26054 + acceleration/energy drift too large 4.67257083293288 + 13.5113109246212 split increased to 2 itime 26612 itsplit 1 - acceleration/energy drift too large 4.94539499627627 - 11.7236757967914 split increased to 2 itime 27422 + acceleration/energy drift too large 3.99957559021391 + 11.1625010410242 split increased to 2 itime 27854 itsplit 1 - acceleration/energy drift too large 6.34859604644822 - 15.8808952575016 split increased to 2 itime 28830 - itsplit 1 - acceleration/energy drift too large 7.97849023708925 - 18.7636280341567 split increased to 2 itime 29314 + acceleration/energy drift too large 2.91621212795126 + 10.0823093572567 split increased to 2 itime 28931 itsplit 1 Velocities reset to random values, time 5999.80 - acceleration/energy drift too large 5.71322468319090 - 13.0840605575853 split increased to 2 itime 30269 + acceleration/energy drift too large 4.42898215413087 + 13.4608010060474 split increased to 2 itime 30695 itsplit 1 - acceleration/energy drift too large 6.08204819236797 - 11.5030063880184 split increased to 2 itime 32467 + acceleration/energy drift too large 6.94379103724230 + 12.6426713865156 split increased to 2 itime 31253 itsplit 1 - acceleration/energy drift too large 4.62814684819236 - 15.4269491395818 split increased to 2 itime 33071 + acceleration/energy drift too large 4.62747477734365 + 11.5083593947958 split increased to 2 itime 34085 itsplit 1 - acceleration/energy drift too large 4.70153961675083 - 13.2205867635956 split increased to 2 itime 37548 + acceleration/energy drift too large 4.68897141839130 + 13.8326552337759 split increased to 2 itime 35096 itsplit 1 - acceleration/energy drift too large 4.25311269514877 - 12.1931048233601 split increased to 2 itime 37870 + acceleration/energy drift too large 5.97103225143252 + 16.8958878466461 split increased to 2 itime 36427 itsplit 1 -Velocities reset to random values, time 7999.80 - acceleration/energy drift too large 3.85720530076065 - 10.7533701949358 split increased to 2 itime 40923 + acceleration/energy drift too large 2.83361041343637 + 10.1870138704729 split increased to 2 itime 38962 itsplit 1 - acceleration/energy drift too large 4.70796821872959 - 10.0261038188810 split increased to 2 itime 42324 + acceleration/energy drift too large 5.43761141917189 + 28.6215916436732 split increased to 2 itime 39573 itsplit 1 - acceleration/energy drift too large 3.96818438961114 - 10.8885252102699 split increased to 2 itime 42612 +Velocities reset to random values, time 7999.80 + acceleration/energy drift too large 6.71618202835124 + 21.8484426773590 split increased to 2 itime 40048 itsplit 1 - acceleration/energy drift too large 4.09393162352054 - 11.5790376309746 split increased to 2 itime 43050 + acceleration/energy drift too large 4.78839206313862 + 11.3186039976041 split increased to 2 itime 44667 itsplit 1 - acceleration/energy drift too large 4.11712862523380 - 11.0072201435151 split increased to 2 itime 44766 + acceleration/energy drift too large 5.61549338972115 + 13.7712955586614 split increased to 2 itime 45584 itsplit 1 - acceleration/energy drift too large 2.35382036918792 - 13.3099228493673 split increased to 2 itime 45474 + acceleration/energy drift too large 4.88112923518931 + 18.1839033671836 split increased to 2 itime 47542 itsplit 1 - acceleration/energy drift too large 1.94630935135251 - 10.9177661801165 split increased to 2 itime 46476 + acceleration/energy drift too large 4.18508498426990 + 12.0984587147884 split increased to 2 itime 49978 itsplit 1 - acceleration/energy drift too large 2.06980925461797 - 11.8933888628329 split increased to 2 itime 47581 +Velocities reset to random values, time 9999.80 + acceleration/energy drift too large 4.75712658213339 + 12.8868383152177 split increased to 2 itime 53072 itsplit 1 - acceleration/energy drift too large 9.10461204955003 - 26.4122572834987 split increased to 2 itime 47995 + acceleration/energy drift too large 3.47876306053008 + 13.5970323416962 split increased to 2 itime 53659 itsplit 1 - acceleration/energy drift too large 7.65514960946350 - 16.0520658295329 split increased to 2 itime 48706 + acceleration/energy drift too large 12.5497073475896 + 59.5476242197771 split increased to 2 itime 54295 itsplit 1 - acceleration/energy drift too large 5.00524961909485 - 15.1658758532439 split increased to 2 itime 48825 + acceleration/energy drift too large 2.79298033614550 + 14.6471800667417 split increased to 2 itime 55902 itsplit 1 -Velocities reset to random values, time 9999.80 - acceleration/energy drift too large 4.96256603098756 - 18.3691428119523 split increased to 2 itime 51876 + acceleration/energy drift too large 5.69793261864804 + 29.8524758090115 split increased to 2 itime 56302 itsplit 1 - acceleration/energy drift too large 6.17016796366666 - 21.0175151708704 split increased to 2 itime 53149 + acceleration/energy drift too large 3.99009589011978 + 11.5529703605789 split increased to 2 itime 56569 itsplit 1 - acceleration/energy drift too large 5.29951934386337 - 31.9533628880177 split increased to 2 itime 53272 + acceleration/energy drift too large 10.3352019178341 + 47.4155341563090 split increased to 2 itime 57296 itsplit 1 - acceleration/energy drift too large 4.68375061639108 - 12.7060473695889 split increased to 2 itime 53395 + acceleration/energy drift too large 5.20266465897687 + 25.8988823584993 split increased to 2 itime 57497 itsplit 1 - acceleration/energy drift too large 3.20466394431315 - 19.7717416088959 split increased to 2 itime 53446 + acceleration/energy drift too large 4.11983845869502 + 12.3783760780201 split increased to 2 itime 59062 itsplit 1 - acceleration/energy drift too large 4.85961281423604 - 11.0926402202715 split increased to 2 itime 54681 + acceleration/energy drift too large 11.9920958913642 + 50.6698470165182 split increased to 2 itime 59118 itsplit 1 - acceleration/energy drift too large 4.14153258922024 - 12.0395465482629 split increased to 2 itime 56699 + acceleration/energy drift too large 3.61921495016199 + 21.0327786523077 split increased to 4 itime 59118 itsplit 1 - acceleration/energy drift too large 2.72601920768183 - 12.3525016323719 split increased to 2 itime 58003 + acceleration/energy drift too large 3.79669885939645 + 27.9339931572120 split increased to 2 itime 59398 itsplit 1 - acceleration/energy drift too large 6.55696556129599 - 14.2429255435316 split increased to 2 itime 58834 + acceleration/energy drift too large 2.77673368418901 + 15.6216150622078 split increased to 2 itime 59734 itsplit 1 Velocities reset to random values, time 11999.80 - acceleration/energy drift too large 7.12474949730125 - 22.0427565925556 split increased to 2 itime 61766 - itsplit 1 - acceleration/energy drift too large 4.57337960000594 - 13.0230047455612 split increased to 2 itime 61925 - itsplit 1 - acceleration/energy drift too large 5.02909377016599 - 11.6681422766353 split increased to 2 itime 62314 - itsplit 1 - acceleration/energy drift too large 6.35545410294304 - 13.7955727228278 split increased to 2 itime 62315 + acceleration/energy drift too large 11.6977569997741 + 63.2873247084235 split increased to 2 itime 61205 itsplit 1 - acceleration/energy drift too large 3.84637140197231 - 15.8731664253529 split increased to 2 itime 62390 + acceleration/energy drift too large 2.46975302483821 + 11.7868981408189 split increased to 4 itime 61205 + itsplit 2 + acceleration/energy drift too large 4.53441825631752 + 10.9190885782135 split increased to 2 itime 61359 itsplit 1 - acceleration/energy drift too large 7.51463114258450 - 37.0097708173328 split increased to 2 itime 62628 + acceleration/energy drift too large 4.86699382584374 + 17.0301858457051 split increased to 2 itime 61727 itsplit 1 - acceleration/energy drift too large 2.74527858013029 - 18.5089597227240 split increased to 2 itime 63937 + acceleration/energy drift too large 9.80988749733368 + 42.3732888734135 split increased to 2 itime 62697 itsplit 1 - acceleration/energy drift too large 3.02629594123442 - 15.2557094699447 split increased to 2 itime 67453 + acceleration/energy drift too large 7.85116578210938 + 35.9930639017263 split increased to 2 itime 66455 itsplit 1 - acceleration/energy drift too large 4.88402970109660 - 12.8773440495137 split increased to 2 itime 67756 + acceleration/energy drift too large 4.60912609144356 + 19.3357209928814 split increased to 2 itime 69220 itsplit 1 Velocities reset to random values, time 13999.80 - acceleration/energy drift too large 4.64262254089198 - 12.9253616962702 split increased to 2 itime 70092 + acceleration/energy drift too large 4.55975676190419 + 24.4710192583568 split increased to 2 itime 70260 itsplit 1 - acceleration/energy drift too large 6.53041013165571 - 25.3486436718531 split increased to 2 itime 70359 + acceleration/energy drift too large 7.80846468417423 + 40.3800904563876 split increased to 2 itime 70553 itsplit 1 - acceleration/energy drift too large 7.57807972570140 - 25.2793900559892 split increased to 2 itime 72857 + acceleration/energy drift too large 3.64034174015583 + 11.1920434422640 split increased to 2 itime 70723 itsplit 1 - acceleration/energy drift too large 9.29548902353072 - 42.5960306524631 split increased to 2 itime 72991 + acceleration/energy drift too large 6.41647323325635 + 17.9807285521450 split increased to 2 itime 73456 itsplit 1 - acceleration/energy drift too large 5.75244529897706 - 10.9510885251213 split increased to 2 itime 73642 + acceleration/energy drift too large 5.47215788047627 + 12.4059118011065 split increased to 2 itime 75099 itsplit 1 - acceleration/energy drift too large 11.4395965515086 - 60.0948035321383 split increased to 2 itime 74388 + acceleration/energy drift too large 4.51710859123275 + 27.8246337959767 split increased to 2 itime 76406 itsplit 1 - acceleration/energy drift too large 2.22631705367035 - 11.4713659959425 split increased to 2 itime 76683 + acceleration/energy drift too large 4.73984297887243 + 14.9194988064925 split increased to 2 itime 76872 itsplit 1 - acceleration/energy drift too large 9.84608215173027 - 34.3450966126282 split increased to 2 itime 77552 + acceleration/energy drift too large 6.00920853395200 + 16.1779705288285 split increased to 2 itime 77735 itsplit 1 - acceleration/energy drift too large 4.20929349125431 - 17.9775830371482 split increased to 2 itime 79436 + acceleration/energy drift too large 5.99517005323580 + 13.5412080404750 split increased to 2 itime 78579 itsplit 1 - acceleration/energy drift too large 4.61379006684879 - 20.2989056521177 split increased to 2 itime 79589 + acceleration/energy drift too large 4.09979171532423 + 11.1189570526687 split increased to 2 itime 78581 itsplit 1 -Velocities reset to random values, time 15999.80 - acceleration/energy drift too large 5.50108596343538 - 10.6878119019872 split increased to 2 itime 80008 + acceleration/energy drift too large 4.60921688688787 + 14.6775966561977 split increased to 2 itime 78740 itsplit 1 - acceleration/energy drift too large 2.37118338977475 - 10.3256968971107 split increased to 2 itime 81194 + acceleration/energy drift too large 3.73747665057647 + 11.0307445827144 split increased to 2 itime 78959 itsplit 1 - acceleration/energy drift too large 4.31667605360844 - 15.2052353631072 split increased to 2 itime 83700 + acceleration/energy drift too large 5.65573169060239 + 18.0894782004693 split increased to 2 itime 79329 itsplit 1 - acceleration/energy drift too large 4.82637085599304 - 23.3381873707151 split increased to 2 itime 84232 + acceleration/energy drift too large 2.79813940370635 + 11.3110696771280 split increased to 2 itime 79740 itsplit 1 - acceleration/energy drift too large 4.96954630655769 - 30.7957769669266 split increased to 2 itime 84269 + acceleration/energy drift too large 6.86540355807712 + 32.0187502316872 split increased to 2 itime 79913 + itsplit 1 +Velocities reset to random values, time 15999.80 + acceleration/energy drift too large 7.16413888935177 + 19.9345951368944 split increased to 2 itime 81293 itsplit 1 - acceleration/energy drift too large 3.85455979578227 - 13.9604757007354 split increased to 2 itime 84376 + acceleration/energy drift too large 5.27812212634208 + 10.2693135846209 split increased to 2 itime 82876 itsplit 1 - acceleration/energy drift too large 2.67927691395306 - 12.2165085498758 split increased to 2 itime 86011 + acceleration/energy drift too large 11.9363698049352 + 59.3189559290204 split increased to 2 itime 83141 itsplit 1 - acceleration/energy drift too large 2.91031747948615 - 13.1206077770531 split increased to 2 itime 86348 + acceleration/energy drift too large 6.14705387814686 + 11.0648999977016 split increased to 2 itime 85055 itsplit 1 - acceleration/energy drift too large 6.77072466643258 - 18.4549273126829 split increased to 2 itime 88337 + acceleration/energy drift too large 3.52652014997376 + 12.1125084506798 split increased to 2 itime 88885 itsplit 1 - acceleration/energy drift too large 5.03953151137243 - 12.7177514592325 split increased to 2 itime 89436 + acceleration/energy drift too large 3.31124587517360 + 27.8877432233392 split increased to 2 itime 89949 itsplit 1 Velocities reset to random values, time 17999.80 - acceleration/energy drift too large 2.11777019420856 - 10.7749222926264 split increased to 2 itime 92164 + acceleration/energy drift too large 4.24485277081510 + 10.2516723831682 split increased to 2 itime 95709 itsplit 1 - acceleration/energy drift too large 1.90319180289364 - 10.2714078201419 split increased to 2 itime 94344 + acceleration/energy drift too large 5.97480262204672 + 17.4683720416003 split increased to 2 itime 98117 itsplit 1 - acceleration/energy drift too large 4.49449982744576 - 16.6526232289962 split increased to 2 itime 98465 + acceleration/energy drift too large 5.91600565384317 + 18.3171449176164 split increased to 2 itime 99745 itsplit 1 Velocities reset to random values, time 19999.80 REMD synchro at 100000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 40.9687500000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 35.4414062500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.50000 2 -ACC 2 260.00000 0.50000 2 -ACC 3 270.00000 0.50000 2 -ACC 4 280.00000 1.00000 2 -ACC 5 290.00000 1.00000 2 -ACC 6 300.00000 1.00000 2 -ACC 7 310.00000 1.00000 2 -ACC 8 320.00000 0.50000 2 -ACC 9 330.00000 0.50000 2 -ACC 10 340.00000 0.50000 2 -ACC 11 350.00000 1.00000 2 -ACC 12 360.00000 1.00000 2 -ACC 13 370.00000 1.00000 2 -ACC 14 380.00000 1.00000 2 -ACC 15 390.00000 1.00000 2 - REMD scatter time= 0.000000000000000E+000 +ACC 1 250.00000 0.00000 2 +ACC 2 260.00000 1.00000 2 +ACC 3 270.00000 0.00000 2 +ACC 4 280.00000 0.66667 3 + REMD scatter time= 3.906250000000000E-003 REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 5.30479153111135 - 32.7183846714053 split increased to 2 itime 100827 + acceleration/energy drift too large 4.17934371249592 + 10.2087980556613 split increased to 2 itime 101423 itsplit 1 - acceleration/energy drift too large 9.22099333317887 - 37.7678774510184 split increased to 2 itime 101064 + acceleration/energy drift too large 6.71902465393580 + 21.3954448227706 split increased to 2 itime 103088 itsplit 1 - acceleration/energy drift too large 6.83705434534516 - 19.7948572520227 split increased to 2 itime 103347 + acceleration/energy drift too large 4.14212052145930 + 10.2477771121734 split increased to 2 itime 103265 itsplit 1 - acceleration/energy drift too large 3.62758568381967 - 13.3868723618269 split increased to 2 itime 104771 + acceleration/energy drift too large 2.86270849799843 + 16.9928188701110 split increased to 2 itime 106414 itsplit 1 - acceleration/energy drift too large 1.28740660298988 - 10.9625518324737 split increased to 2 itime 104877 + acceleration/energy drift too large 4.53177559730538 + 11.4104194143493 split increased to 2 itime 106443 itsplit 1 - acceleration/energy drift too large 3.00359038965876 - 10.9089748353496 split increased to 2 itime 105225 + acceleration/energy drift too large 4.18378287308024 + 14.5005011242331 split increased to 2 itime 108779 itsplit 1 - acceleration/energy drift too large 6.59710964322336 - 19.9436512291436 split increased to 2 itime 105571 + acceleration/energy drift too large 3.22598315055832 + 12.6610528117019 split increased to 2 itime 108794 itsplit 1 - acceleration/energy drift too large 2.59450950912824 - 15.9477257800052 split increased to 2 itime 107435 + acceleration/energy drift too large 6.46842098075620 + 29.2446490055127 split increased to 2 itime 109179 itsplit 1 - acceleration/energy drift too large 11.8469126797054 - 62.6720329303470 split increased to 2 itime 109698 + acceleration/energy drift too large 7.33198987418711 + 23.8784665864745 split increased to 2 itime 109588 itsplit 1 Velocities reset to random values, time 21999.80 - acceleration/energy drift too large 4.67667714775613 - 14.3220169779296 split increased to 2 itime 114515 - itsplit 1 - acceleration/energy drift too large 1.47149135649588 - 13.2849595556945 split increased to 2 itime 114516 - itsplit 1 - acceleration/energy drift too large 6.53334308136208 - 17.1429048544320 split increased to 2 itime 114687 + acceleration/energy drift too large 4.07483092898370 + 15.2316275058643 split increased to 2 itime 110279 itsplit 1 - acceleration/energy drift too large 5.49126088265693 - 15.0726841996235 split increased to 2 itime 116232 + acceleration/energy drift too large 3.64692400598470 + 10.6619934251008 split increased to 2 itime 111456 itsplit 1 - acceleration/energy drift too large 2.35083952362108 - 16.2615651242920 split increased to 2 itime 119069 + acceleration/energy drift too large 3.85390369821382 + 11.3062549687424 split increased to 2 itime 111457 itsplit 1 - acceleration/energy drift too large 2.53374937388076 - 13.7890630887510 split increased to 2 itime 119365 + acceleration/energy drift too large 2.65446013571373 + 11.8140462542025 split increased to 2 itime 111574 itsplit 1 - acceleration/energy drift too large 5.68869941458716 - 17.1251864508609 split increased to 2 itime 119589 + acceleration/energy drift too large 9.77762972964267 + 38.7168616272138 split increased to 2 itime 111946 itsplit 1 -Velocities reset to random values, time 23999.80 - acceleration/energy drift too large 3.46875069672194 - 14.1650871917352 split increased to 2 itime 120024 + acceleration/energy drift too large 4.06646189192008 + 12.7941443273696 split increased to 2 itime 112101 itsplit 1 - acceleration/energy drift too large 5.35983273753198 - 17.7545992959714 split increased to 2 itime 120722 + acceleration/energy drift too large 2.30009977904337 + 14.5748776196732 split increased to 2 itime 112102 itsplit 1 - acceleration/energy drift too large 2.69115114165305 - 12.5578282153985 split increased to 2 itime 121072 + acceleration/energy drift too large 3.11559314638457 + 12.3996567956483 split increased to 2 itime 112228 itsplit 1 - acceleration/energy drift too large 8.92426812054165 - 43.0380153963682 split increased to 2 itime 121593 + acceleration/energy drift too large 6.42906592389302 + 20.5492049862529 split increased to 2 itime 112432 itsplit 1 - acceleration/energy drift too large 2.80862827736768 - 17.8780743426604 split increased to 4 itime 121593 + acceleration/energy drift too large 5.05074993788673 + 19.5702738091324 split increased to 2 itime 115678 itsplit 1 - acceleration/energy drift too large 6.44963434250421 - 27.0704195221939 split increased to 2 itime 123932 + acceleration/energy drift too large 4.73192607788806 + 11.6639262949098 split increased to 2 itime 118201 itsplit 1 - acceleration/energy drift too large 11.4204880014522 - 77.2449800161233 split increased to 2 itime 125528 + acceleration/energy drift too large 9.82798207139148 + 44.0083892371179 split increased to 2 itime 119150 itsplit 1 - acceleration/energy drift too large 6.26956083802194 - 15.0033705470759 split increased to 2 itime 129953 +Velocities reset to random values, time 23999.80 + acceleration/energy drift too large 9.35182898270605 + 30.7529040551124 split increased to 2 itime 120084 itsplit 1 -Velocities reset to random values, time 25999.80 - acceleration/energy drift too large 11.9950337692422 - 66.7445687178871 split increased to 2 itime 131446 + acceleration/energy drift too large 6.47454305264028 + 14.1597663554861 split increased to 2 itime 120767 itsplit 1 - acceleration/energy drift too large 7.39799040535664 - 25.4558017873048 split increased to 2 itime 133388 + acceleration/energy drift too large 5.75121475895426 + 31.5126053812392 split increased to 2 itime 121530 itsplit 1 - acceleration/energy drift too large 7.80533028372326 - 49.8575549355695 split increased to 2 itime 133766 + acceleration/energy drift too large 5.85269657458831 + 14.6075456348999 split increased to 2 itime 121942 itsplit 1 - acceleration/energy drift too large 4.57106664339688 - 11.5383805377247 split increased to 2 itime 135200 + acceleration/energy drift too large 3.54090402384738 + 13.1407731639353 split increased to 2 itime 124371 itsplit 1 - acceleration/energy drift too large 2.46638430907786 - 12.0236663284555 split increased to 2 itime 138415 + acceleration/energy drift too large 10.3331096918765 + 52.5133480143010 split increased to 2 itime 129714 itsplit 1 -Velocities reset to random values, time 27999.80 - acceleration/energy drift too large 4.09953985498909 - 11.4755856424183 split increased to 2 itime 140183 +Velocities reset to random values, time 25999.80 + acceleration/energy drift too large 6.69684407284877 + 25.0759133399658 split increased to 2 itime 131813 itsplit 1 - acceleration/energy drift too large 3.04683218402603 - 11.2554979946582 split increased to 2 itime 140926 + acceleration/energy drift too large 4.38307762532523 + 18.1062353093105 split increased to 2 itime 132199 itsplit 1 - acceleration/energy drift too large 3.79217439911290 - 10.8635749654404 split increased to 2 itime 142747 + acceleration/energy drift too large 5.29885510902833 + 38.0704093150957 split increased to 2 itime 132622 itsplit 1 - acceleration/energy drift too large 3.26775080400935 - 19.8580527907864 split increased to 2 itime 143947 + acceleration/energy drift too large 2.85438260830311 + 18.7164314768521 split increased to 2 itime 133181 itsplit 1 - acceleration/energy drift too large 6.91951069605565 - 21.0009780640194 split increased to 2 itime 144124 + acceleration/energy drift too large 10.5920897391894 + 70.2904279693642 split increased to 2 itime 135874 itsplit 1 - acceleration/energy drift too large 4.23198220778981 - 11.7038874075694 split increased to 2 itime 144960 + acceleration/energy drift too large 7.46036615847225 + 32.6234626144527 split increased to 2 itime 137718 itsplit 1 - acceleration/energy drift too large 3.61395855980471 - 26.7041938628218 split increased to 2 itime 145575 + acceleration/energy drift too large 1.31915869612610 + 11.2994888049436 split increased to 2 itime 138847 itsplit 1 - acceleration/energy drift too large 9.06140948726832 - 38.5046050873916 split increased to 2 itime 146889 + acceleration/energy drift too large 6.86981840972510 + 16.3256220950550 split increased to 2 itime 139281 itsplit 1 - acceleration/energy drift too large 4.36632722688913 - 14.8000149348647 split increased to 2 itime 148748 + acceleration/energy drift too large 6.86293127945009 + 34.8138590523399 split increased to 2 itime 139581 itsplit 1 - acceleration/energy drift too large 4.54092210925177 - 13.4100664026597 split increased to 2 itime 149897 + acceleration/energy drift too large 9.12960252436226 + 51.9124205480618 split increased to 2 itime 139819 itsplit 1 -Velocities reset to random values, time 29999.80 - acceleration/energy drift too large 6.47119178764283 - 10.7719348396560 split increased to 2 itime 151203 +Velocities reset to random values, time 27999.80 + acceleration/energy drift too large 2.94586804262428 + 14.1306372950158 split increased to 2 itime 143428 itsplit 1 - acceleration/energy drift too large 8.00413343430371 - 25.0047637139609 split increased to 2 itime 152674 + acceleration/energy drift too large 6.04696930269584 + 26.2326220057806 split increased to 2 itime 143768 itsplit 1 - acceleration/energy drift too large 8.11033650851310 - 43.2921294888434 split increased to 2 itime 153906 + acceleration/energy drift too large 3.44034274144510 + 10.8241372684479 split increased to 2 itime 144553 itsplit 1 - acceleration/energy drift too large 5.73774808748230 - 41.3121996205828 split increased to 2 itime 154566 + acceleration/energy drift too large 4.40005254877327 + 11.7661551075243 split increased to 2 itime 146748 itsplit 1 - acceleration/energy drift too large 4.83658630972499 - 11.2263777037460 split increased to 2 itime 156598 + acceleration/energy drift too large 8.22483430917424 + 12.4598072810491 split increased to 2 itime 149088 itsplit 1 - acceleration/energy drift too large 15.4574211568038 - 110.492945675102 split increased to 2 itime 157700 + acceleration/energy drift too large 7.52857273732077 + 31.3343094644287 split increased to 2 itime 149360 itsplit 1 - acceleration/energy drift too large 2.33923685921131 - 11.1333985374754 split increased to 4 itime 157700 - itsplit 2 - acceleration/energy drift too large 2.67362685257378 - 24.5366014360706 split increased to 2 itime 157902 +Velocities reset to random values, time 29999.80 + acceleration/energy drift too large 4.69526830624144 + 15.9496877155323 split increased to 2 itime 150685 itsplit 1 - acceleration/energy drift too large 4.20358949652687 - 15.5833076545541 split increased to 2 itime 158586 + acceleration/energy drift too large 4.89342691578421 + 16.2827823201418 split increased to 2 itime 153494 itsplit 1 - acceleration/energy drift too large 7.17712699417804 - 26.9852030152952 split increased to 2 itime 159307 + acceleration/energy drift too large 10.1167166229062 + 46.4257434770403 split increased to 2 itime 158250 itsplit 1 Velocities reset to random values, time 31999.80 - acceleration/energy drift too large 3.24794940144217 - 14.2734384626896 split increased to 2 itime 160193 - itsplit 1 - acceleration/energy drift too large 3.43970294419817 - 10.1171354204279 split increased to 2 itime 160199 - itsplit 1 - acceleration/energy drift too large 2.06897556646671 - 10.6296009166735 split increased to 2 itime 160200 - itsplit 1 - acceleration/energy drift too large 2.77169775964682 - 14.7755942435251 split increased to 2 itime 160211 - itsplit 1 - acceleration/energy drift too large 3.42977414913289 - 11.8186996365778 split increased to 2 itime 160217 - itsplit 1 - acceleration/energy drift too large 3.50975405150415 - 15.0678438787267 split increased to 2 itime 162389 - itsplit 1 - acceleration/energy drift too large 3.41646887105571 - 13.0056729464677 split increased to 2 itime 162559 - itsplit 1 - acceleration/energy drift too large 4.20560385169009 - 12.6608673993539 split increased to 2 itime 162629 + acceleration/energy drift too large 2.90266792832498 + 16.1653405369373 split increased to 2 itime 161880 itsplit 1 - acceleration/energy drift too large 8.85761141711838 - 34.9170962666287 split increased to 2 itime 163319 + acceleration/energy drift too large 6.16955865188669 + 18.4227137691214 split increased to 2 itime 162403 itsplit 1 - acceleration/energy drift too large 3.06853395465094 - 23.2095134557028 split increased to 2 itime 165420 + acceleration/energy drift too large 3.40339172296479 + 14.5641070801041 split increased to 2 itime 163702 itsplit 1 - acceleration/energy drift too large 11.5215696811755 - 73.0001952199420 split increased to 2 itime 167940 + acceleration/energy drift too large 1.42116937979120 + 10.5515496250852 split increased to 2 itime 165091 itsplit 1 - acceleration/energy drift too large 14.2581978392574 - 78.8414676738210 split increased to 2 itime 168392 - itsplit 1 - acceleration/energy drift too large 8.11137643447097 - 25.7749786429328 split increased to 2 itime 168987 + acceleration/energy drift too large 2.50032822556853 + 14.6682160146179 split increased to 2 itime 166460 itsplit 1 Velocities reset to random values, time 33999.80 - acceleration/energy drift too large 4.94449710560333 - 27.5960117047999 split increased to 2 itime 170962 + acceleration/energy drift too large 11.2676088599452 + 55.0268225107134 split increased to 2 itime 170845 itsplit 1 - acceleration/energy drift too large 5.80114466418178 - 37.0142957243123 split increased to 2 itime 171123 + acceleration/energy drift too large 10.0584492935131 + 48.1950278987103 split increased to 2 itime 173044 itsplit 1 - acceleration/energy drift too large 8.17697353258330 - 32.5607784627130 split increased to 2 itime 171238 + acceleration/energy drift too large 4.06800375548260 + 11.4104907706019 split increased to 2 itime 173300 itsplit 1 - acceleration/energy drift too large 4.67706335661793 - 13.8446094467380 split increased to 2 itime 171951 + acceleration/energy drift too large 4.23811732793871 + 13.8587056078574 split increased to 2 itime 174142 itsplit 1 - acceleration/energy drift too large 3.55821361094147 - 12.6928119421075 split increased to 2 itime 172153 + acceleration/energy drift too large 5.98240632587128 + 12.1728422710291 split increased to 2 itime 175337 itsplit 1 - acceleration/energy drift too large 2.68882159975445 - 18.7046804242565 split increased to 2 itime 172383 + acceleration/energy drift too large 12.4001917299860 + 55.7579610310665 split increased to 2 itime 175903 itsplit 1 - acceleration/energy drift too large 4.81339966386691 - 11.0429044904753 split increased to 2 itime 173978 + acceleration/energy drift too large 13.7138109000118 + 94.4108045050905 split increased to 2 itime 176224 itsplit 1 - acceleration/energy drift too large 6.44559547568225 - 17.5187311550819 split increased to 2 itime 175581 + acceleration/energy drift too large 7.42152496537740 + 22.6618547705327 split increased to 2 itime 177374 itsplit 1 -Velocities reset to random values, time 35999.80 - acceleration/energy drift too large 7.63015780686967 - 38.2167304588196 split increased to 2 itime 181534 + acceleration/energy drift too large 3.39518157926419 + 22.0998780473279 split increased to 2 itime 178172 itsplit 1 - acceleration/energy drift too large 4.24586808539030 - 27.1452160067227 split increased to 2 itime 184738 +Velocities reset to random values, time 35999.80 + acceleration/energy drift too large 4.17087543730249 + 19.1089099539533 split increased to 2 itime 182982 itsplit 1 - acceleration/energy drift too large 2.52604350435751 - 12.8679021516249 split increased to 2 itime 185131 + acceleration/energy drift too large 2.41383969428954 + 12.2915628180420 split increased to 2 itime 184614 itsplit 1 - acceleration/energy drift too large 3.07991978539439 - 18.4856171599058 split increased to 2 itime 187016 + acceleration/energy drift too large 11.7026346117434 + 50.7215076469975 split increased to 2 itime 186959 itsplit 1 - acceleration/energy drift too large 17.2341559140548 - 109.558196953544 split increased to 2 itime 187263 + acceleration/energy drift too large 3.35109011360501 + 20.1971093192822 split increased to 4 itime 186959 itsplit 1 - acceleration/energy drift too large 2.70407111680038 - 11.9766440019272 split increased to 2 itime 187797 + acceleration/energy drift too large 7.74370998880844 + 30.1808904020168 split increased to 2 itime 187322 itsplit 1 - acceleration/energy drift too large 2.85601163420964 - 10.4667912218996 split increased to 2 itime 187962 + acceleration/energy drift too large 5.83905188213531 + 15.1514408498309 split increased to 2 itime 189748 itsplit 1 - acceleration/energy drift too large 3.54860371888249 - 17.0409764352721 split increased to 2 itime 189108 + acceleration/energy drift too large 4.18612495616765 + 13.3494170031651 split increased to 2 itime 189829 itsplit 1 Velocities reset to random values, time 37999.80 - acceleration/energy drift too large 4.17545222375564 - 14.0350918790853 split increased to 2 itime 190536 + acceleration/energy drift too large 5.65450971213563 + 16.0492679051627 split increased to 2 itime 190385 + itsplit 1 + acceleration/energy drift too large 5.99788572869562 + 14.8470084380186 split increased to 2 itime 192152 itsplit 1 - acceleration/energy drift too large 5.38725125175909 - 13.7194815171194 split increased to 2 itime 192983 + acceleration/energy drift too large 2.42266985844801 + 10.1890606959296 split increased to 2 itime 195046 itsplit 1 - acceleration/energy drift too large 4.13121779390983 - 10.4707404865971 split increased to 2 itime 195632 + acceleration/energy drift too large 3.77678937362833 + 10.6782321260063 split increased to 2 itime 195522 itsplit 1 - acceleration/energy drift too large 2.69929022213329 - 13.1670958223454 split increased to 2 itime 195633 + acceleration/energy drift too large 4.21858966366682 + 22.0878413973506 split increased to 2 itime 195622 itsplit 1 - acceleration/energy drift too large 4.30213556284370 - 16.6021758474957 split increased to 2 itime 196151 + acceleration/energy drift too large 2.86907243915045 + 20.5047036681515 split increased to 2 itime 199601 itsplit 1 Velocities reset to random values, time 39999.80 REMD synchro at 200000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 82.4257812500000 0.000000000000000E+000 - REMD writing rst time= 7.812500000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD gather times= 71.1054687500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.25000 4 -ACC 2 260.00000 0.25000 4 -ACC 3 270.00000 0.50000 4 -ACC 4 280.00000 0.75000 4 -ACC 5 290.00000 1.00000 4 -ACC 6 300.00000 0.75000 4 -ACC 7 310.00000 0.50000 4 -ACC 8 320.00000 0.75000 4 -ACC 9 330.00000 0.50000 4 -ACC 10 340.00000 0.50000 4 -ACC 11 350.00000 1.00000 4 -ACC 12 360.00000 0.75000 4 -ACC 13 370.00000 1.00000 4 -ACC 14 380.00000 1.00000 4 -ACC 15 390.00000 1.00000 4 +ACC 2 260.00000 0.75000 4 +ACC 3 270.00000 0.25000 4 +ACC 4 280.00000 0.60000 5 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 1.171875000000000E-002 - acceleration/energy drift too large 7.30090016283820 - 15.7095332932774 split increased to 2 itime 200041 - itsplit 1 - acceleration/energy drift too large 2.42357508774481 - 13.8339712481104 split increased to 2 itime 201335 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 2.16881736150626 + 11.6211029017173 split increased to 2 itime 202587 itsplit 1 - acceleration/energy drift too large 2.56339983715425 - 16.0371804329780 split increased to 2 itime 201526 + acceleration/energy drift too large 8.22320456541727 + 30.3705855961487 split increased to 2 itime 202883 itsplit 1 - acceleration/energy drift too large 7.55589930988574 - 24.6175594354758 split increased to 2 itime 202603 + acceleration/energy drift too large 10.2449186576237 + 52.4739186173176 split increased to 2 itime 204780 itsplit 1 - acceleration/energy drift too large 2.93841099794953 - 18.6718639219353 split increased to 2 itime 207848 + acceleration/energy drift too large 5.70024482129038 + 17.1856329871537 split increased to 2 itime 205830 itsplit 1 - acceleration/energy drift too large 6.57747310707990 - 24.5034800133647 split increased to 2 itime 208740 + acceleration/energy drift too large 7.27900715160537 + 22.2819930132078 split increased to 2 itime 206065 itsplit 1 - acceleration/energy drift too large 2.83168809868655 - 16.7704745262047 split increased to 2 itime 209346 + acceleration/energy drift too large 2.51285686180645 + 11.8421875094489 split increased to 2 itime 206720 itsplit 1 - acceleration/energy drift too large 3.76135969385638 - 10.4831455893703 split increased to 2 itime 209988 + acceleration/energy drift too large 6.42747083441139 + 13.2041832820959 split increased to 2 itime 209143 itsplit 1 Velocities reset to random values, time 41999.80 - acceleration/energy drift too large 2.68658560955684 - 20.0265063324112 split increased to 2 itime 211006 + acceleration/energy drift too large 10.9123416961225 + 46.5114458906699 split increased to 2 itime 213048 itsplit 1 - acceleration/energy drift too large 7.00458441848942 - 22.0926248300972 split increased to 2 itime 212729 + acceleration/energy drift too large 6.60350217622471 + 12.8985249881525 split increased to 2 itime 213851 itsplit 1 - acceleration/energy drift too large 2.30068733485124 - 12.1738774115241 split increased to 2 itime 212950 + acceleration/energy drift too large 5.36866243458460 + 15.2021030104828 split increased to 2 itime 214783 itsplit 1 - acceleration/energy drift too large 8.55397300503514 - 31.6111139472683 split increased to 2 itime 213200 + acceleration/energy drift too large 6.54435622895922 + 12.2051670102381 split increased to 2 itime 215508 itsplit 1 - acceleration/energy drift too large 2.12345485781168 - 14.9237985195986 split increased to 2 itime 213449 - itsplit 1 - acceleration/energy drift too large 9.11976435795469 - 52.2898887375870 split increased to 2 itime 213545 - itsplit 1 - acceleration/energy drift too large 2.88176433900706 - 11.7912237553042 split increased to 2 itime 214716 + acceleration/energy drift too large 6.32008944314661 + 21.0544655287285 split increased to 2 itime 219089 itsplit 1 Velocities reset to random values, time 43999.80 - acceleration/energy drift too large 4.76808917908119 - 15.9308946339895 split increased to 2 itime 220144 - itsplit 1 - acceleration/energy drift too large 2.36642618455310 - 11.0144061062010 split increased to 2 itime 221270 - itsplit 1 - acceleration/energy drift too large 2.92527334489512 - 15.6715426426950 split increased to 2 itime 221668 + acceleration/energy drift too large 5.22890361539869 + 20.7056821001058 split increased to 2 itime 222371 itsplit 1 - acceleration/energy drift too large 3.59894411448008 - 11.1107191014724 split increased to 2 itime 222058 + acceleration/energy drift too large 5.59391136942500 + 11.4500798593686 split increased to 2 itime 223478 itsplit 1 - acceleration/energy drift too large 5.78835431098490 - 13.3093708837810 split increased to 2 itime 224122 - itsplit 1 - acceleration/energy drift too large 3.99231761831174 - 12.8986251999848 split increased to 2 itime 225566 - itsplit 1 - acceleration/energy drift too large 5.03770169547065 - 14.4393902079831 split increased to 2 itime 226145 - itsplit 1 - acceleration/energy drift too large 10.3554665602495 - 51.5033654655858 split increased to 2 itime 228607 + acceleration/energy drift too large 5.77150787771130 + 24.8518616086383 split increased to 2 itime 229175 itsplit 1 Velocities reset to random values, time 45999.80 - acceleration/energy drift too large 8.05806531710266 - 28.8555573947498 split increased to 2 itime 231119 + acceleration/energy drift too large 5.73737565072782 + 19.1876737706425 split increased to 2 itime 230764 itsplit 1 - acceleration/energy drift too large 3.60727368031391 - 22.0785135191138 split increased to 2 itime 234080 + acceleration/energy drift too large 5.29020896341819 + 19.9748904882164 split increased to 2 itime 234022 itsplit 1 - acceleration/energy drift too large 1.70525784718388 - 10.7413446217379 split increased to 2 itime 235449 + acceleration/energy drift too large 4.33372838253363 + 18.4218149172096 split increased to 2 itime 234755 itsplit 1 - acceleration/energy drift too large 1.57628025985414 - 11.1728863903929 split increased to 2 itime 235708 + acceleration/energy drift too large 5.19378510366194 + 17.4459855825311 split increased to 2 itime 236382 itsplit 1 - acceleration/energy drift too large 3.79752381663291 - 24.4572348002863 split increased to 2 itime 235813 + acceleration/energy drift too large 6.88495807912893 + 33.0908934405284 split increased to 2 itime 237714 itsplit 1 - acceleration/energy drift too large 3.65596796870913 - 23.1880298720412 split increased to 2 itime 238988 + acceleration/energy drift too large 2.62257468480003 + 12.4786925257212 split increased to 2 itime 237747 itsplit 1 - acceleration/energy drift too large 2.71936314809597 - 18.8825708665668 split increased to 2 itime 239232 + acceleration/energy drift too large 7.38515821781302 + 26.9964527222263 split increased to 2 itime 239289 itsplit 1 Velocities reset to random values, time 47999.80 - acceleration/energy drift too large 2.47032591107281 - 10.9075046296878 split increased to 2 itime 245214 - itsplit 1 - acceleration/energy drift too large 6.68159249653997 - 23.4360536297165 split increased to 2 itime 246124 + acceleration/energy drift too large 3.87346544198130 + 10.7184631294462 split increased to 2 itime 244002 itsplit 1 - acceleration/energy drift too large 5.17277593040770 - 11.4891680647349 split increased to 2 itime 249861 + acceleration/energy drift too large 7.19782539757248 + 23.1604823482505 split increased to 2 itime 245186 itsplit 1 -Velocities reset to random values, time 49999.80 - acceleration/energy drift too large 5.15567827352112 - 14.6234668383740 split increased to 2 itime 252279 - itsplit 1 - acceleration/energy drift too large 5.45218898768761 - 19.6740849541865 split increased to 2 itime 253840 + acceleration/energy drift too large 2.63927590317688 + 11.2769628510729 split increased to 2 itime 246299 itsplit 1 - acceleration/energy drift too large 4.27674928918327 - 12.0560902957838 split increased to 2 itime 256317 + acceleration/energy drift too large 3.95993347856653 + 12.9941278037519 split increased to 2 itime 246884 itsplit 1 - acceleration/energy drift too large 5.89510846708766 - 20.1060453055151 split increased to 2 itime 257318 - itsplit 1 -Velocities reset to random values, time 51999.80 - acceleration/energy drift too large 5.92801510090747 - 22.8305382087534 split increased to 2 itime 260439 + acceleration/energy drift too large 3.75138061314166 + 16.1523068508057 split increased to 2 itime 247147 itsplit 1 - acceleration/energy drift too large 6.18507516147294 - 19.0999571280660 split increased to 2 itime 263163 +Velocities reset to random values, time 49999.80 + acceleration/energy drift too large 2.41716028123349 + 11.9615216315768 split increased to 2 itime 250027 itsplit 1 - acceleration/energy drift too large 7.24020986098480 - 31.4291107757521 split increased to 2 itime 266460 + acceleration/energy drift too large 5.61038686950059 + 19.2189311434819 split increased to 2 itime 252540 itsplit 1 - acceleration/energy drift too large 6.04665066325909 - 13.2045410376898 split increased to 2 itime 266886 + acceleration/energy drift too large 10.7608195134490 + 54.1508956589706 split increased to 2 itime 253537 itsplit 1 - acceleration/energy drift too large 4.66026841148865 - 20.5167921658422 split increased to 2 itime 266956 + acceleration/energy drift too large 5.35074089279080 + 16.5659967269322 split increased to 2 itime 253965 itsplit 1 - acceleration/energy drift too large 5.70423760883707 - 15.4259467242031 split increased to 2 itime 268777 + acceleration/energy drift too large 4.32146540995298 + 11.1574002315605 split increased to 2 itime 255145 itsplit 1 - acceleration/energy drift too large 7.53428887904614 - 20.2300158871391 split increased to 2 itime 269194 + acceleration/energy drift too large 7.08881474942714 + 21.9528411572390 split increased to 2 itime 257775 itsplit 1 - acceleration/energy drift too large 2.60621408685723 - 16.3155411539841 split increased to 2 itime 269853 +Velocities reset to random values, time 51999.80 + acceleration/energy drift too large 10.1408200722849 + 50.3267262746123 split increased to 2 itime 262272 itsplit 1 -Velocities reset to random values, time 53999.80 - acceleration/energy drift too large 5.74325060053348 - 15.4945115980728 split increased to 2 itime 270770 + acceleration/energy drift too large 14.0801114406264 + 80.7757625408016 split increased to 2 itime 264245 itsplit 1 - acceleration/energy drift too large 9.87939218979541 - 33.7837453874661 split increased to 2 itime 276194 + acceleration/energy drift too large 8.27643433714730 + 30.0496912570776 split increased to 2 itime 264746 itsplit 1 - acceleration/energy drift too large 5.21156391837195 - 10.0979936026060 split increased to 2 itime 276527 + acceleration/energy drift too large 7.70912445419297 + 23.8755892757933 split increased to 2 itime 265529 itsplit 1 - acceleration/energy drift too large 6.14672081204588 - 16.5305278849373 split increased to 2 itime 277215 + acceleration/energy drift too large 2.58366349253077 + 14.2106649628383 split increased to 2 itime 266377 itsplit 1 - acceleration/energy drift too large 8.62006136446299 - 33.8226291806146 split increased to 2 itime 277544 + acceleration/energy drift too large 2.54844966095662 + 10.0312605383654 split increased to 2 itime 266378 itsplit 1 - acceleration/energy drift too large 2.60884468541901 - 12.7434801487574 split increased to 4 itime 277544 + acceleration/energy drift too large 1.87200382710572 + 15.9691862763909 split increased to 2 itime 266550 itsplit 1 - acceleration/energy drift too large 5.16077804443159 - 11.8794425656279 split increased to 2 itime 277758 + acceleration/energy drift too large 2.11944822971283 + 10.5344238021568 split increased to 2 itime 267413 itsplit 1 - acceleration/energy drift too large 4.94426554045047 - 14.8093307012506 split increased to 2 itime 277904 + acceleration/energy drift too large 6.06534504237479 + 25.1621696006685 split increased to 2 itime 267770 itsplit 1 -Velocities reset to random values, time 55999.80 - acceleration/energy drift too large 7.17459655174860 - 13.2412304825822 split increased to 2 itime 282778 +Velocities reset to random values, time 53999.80 + acceleration/energy drift too large 2.47015319053648 + 14.2916974625748 split increased to 2 itime 270434 itsplit 1 - acceleration/energy drift too large 4.22641348778808 - 10.1440059139484 split increased to 2 itime 284911 + acceleration/energy drift too large 5.98505566824517 + 15.4224749479059 split increased to 2 itime 271295 itsplit 1 - acceleration/energy drift too large 4.64582996423248 - 15.4837273910564 split increased to 2 itime 286473 + acceleration/energy drift too large 6.80062035254884 + 30.7055153673426 split increased to 2 itime 271631 itsplit 1 - acceleration/energy drift too large 4.08595625781387 - 11.1460974323839 split increased to 2 itime 286933 + acceleration/energy drift too large 4.31912564232714 + 11.1872069912410 split increased to 2 itime 271709 itsplit 1 - acceleration/energy drift too large 2.19067749869458 - 11.8843351515195 split increased to 2 itime 287486 +Velocities reset to random values, time 55999.80 + acceleration/energy drift too large 8.09330085807051 + 31.5790050396434 split increased to 2 itime 280504 itsplit 1 -Velocities reset to random values, time 57999.80 - acceleration/energy drift too large 4.57648020139244 - 12.5786733316445 split increased to 2 itime 290348 + acceleration/energy drift too large 5.26339357777589 + 13.1359035985485 split increased to 2 itime 282028 itsplit 1 - acceleration/energy drift too large 5.80267876042894 - 17.1998318064312 split increased to 2 itime 291055 + acceleration/energy drift too large 6.17033536925067 + 24.2433112778017 split increased to 2 itime 284418 itsplit 1 - acceleration/energy drift too large 8.40274351953998 - 39.4857927014631 split increased to 2 itime 292852 + acceleration/energy drift too large 3.81914782313567 + 11.1219668578769 split increased to 2 itime 286804 itsplit 1 - acceleration/energy drift too large 8.53178193741574 - 35.1859515915814 split increased to 2 itime 296389 + acceleration/energy drift too large 8.17560121596226 + 29.4655118725900 split increased to 2 itime 288581 itsplit 1 - acceleration/energy drift too large 2.40076289210309 - 18.2372146671887 split increased to 2 itime 296736 + acceleration/energy drift too large 6.22086484098395 + 17.5779309578201 split increased to 2 itime 289035 itsplit 1 - acceleration/energy drift too large 1.66755721706243 - 11.3829331634424 split increased to 2 itime 296804 +Velocities reset to random values, time 57999.80 + acceleration/energy drift too large 5.27400121713009 + 11.4004243729492 split increased to 2 itime 290508 itsplit 1 - acceleration/energy drift too large 4.95069416582966 - 16.5582299633402 split increased to 2 itime 297326 + acceleration/energy drift too large 11.9734582487957 + 78.0774137095788 split increased to 2 itime 293754 itsplit 1 - acceleration/energy drift too large 5.44096351126932 - 13.0203131736102 split increased to 2 itime 297849 + acceleration/energy drift too large 3.52608872562150 + 28.3326988505369 split increased to 2 itime 293892 itsplit 1 - acceleration/energy drift too large 1.96041354960641 - 13.2275501941364 split increased to 2 itime 299073 + acceleration/energy drift too large 2.10024895500591 + 15.0839684126750 split increased to 2 itime 299951 itsplit 1 Velocities reset to random values, time 59999.80 REMD synchro at 300000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 124.101562500000 0.000000000000000E+000 - REMD writing rst time= 7.812500000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD gather times= 106.812500000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 7.812500000000000E-003 NREP 16 ACC 1 250.00000 0.16667 6 -ACC 2 260.00000 0.16667 6 -ACC 3 270.00000 0.66667 6 -ACC 4 280.00000 0.83333 6 -ACC 5 290.00000 0.83333 6 -ACC 6 300.00000 0.83333 6 -ACC 7 310.00000 0.66667 6 -ACC 8 320.00000 0.66667 6 -ACC 9 330.00000 0.66667 6 -ACC 10 340.00000 0.50000 6 -ACC 11 350.00000 1.00000 6 -ACC 12 360.00000 0.83333 6 -ACC 13 370.00000 0.83333 6 -ACC 14 380.00000 1.00000 6 -ACC 15 390.00000 1.00000 6 +ACC 2 260.00000 0.66667 6 +ACC 3 270.00000 0.16667 6 +ACC 4 280.00000 0.72727 11 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 11.8835850656472 - 59.3605813372361 split increased to 2 itime 300687 + acceleration/energy drift too large 6.49996232559160 + 25.4805404481882 split increased to 2 itime 300131 itsplit 1 - acceleration/energy drift too large 3.03188083380591 - 20.0776219255604 split increased to 2 itime 302450 + acceleration/energy drift too large 2.58006204880175 + 15.8783624241283 split increased to 2 itime 301505 itsplit 1 - acceleration/energy drift too large 7.18724375516662 - 18.8235967892789 split increased to 2 itime 307116 + acceleration/energy drift too large 4.21970039382783 + 17.7665607199592 split increased to 2 itime 301794 itsplit 1 - acceleration/energy drift too large 5.23440751513935 - 15.5328261688308 split increased to 2 itime 307978 + acceleration/energy drift too large 9.91588982907668 + 43.5430754465092 split increased to 2 itime 304322 itsplit 1 - acceleration/energy drift too large 5.18891311133133 - 11.5486517135082 split increased to 2 itime 309048 + acceleration/energy drift too large 10.4692840581279 + 61.6454238861307 split increased to 2 itime 306415 itsplit 1 Velocities reset to random values, time 61999.80 - acceleration/energy drift too large 5.94596316829142 - 15.6697169716881 split increased to 2 itime 310771 - itsplit 1 - acceleration/energy drift too large 4.50128909677026 - 11.7188941428861 split increased to 2 itime 311184 - itsplit 1 - acceleration/energy drift too large 2.88727459001362 - 17.0613881289454 split increased to 2 itime 315121 + acceleration/energy drift too large 5.26443143493143 + 11.4144139693146 split increased to 2 itime 311248 itsplit 1 - acceleration/energy drift too large 5.99451845301504 - 14.7446320304424 split increased to 2 itime 316666 + acceleration/energy drift too large 4.76036100696084 + 20.7117609402572 split increased to 2 itime 311992 itsplit 1 - acceleration/energy drift too large 4.69555790040009 - 10.2635773873968 split increased to 2 itime 316770 + acceleration/energy drift too large 3.16872410883438 + 18.6281690348853 split increased to 2 itime 314584 itsplit 1 - acceleration/energy drift too large 5.61109984052246 - 23.5248838504998 split increased to 2 itime 317009 + acceleration/energy drift too large 5.83530582996696 + 22.5895132763382 split increased to 2 itime 314610 itsplit 1 - acceleration/energy drift too large 3.97626273882810 - 10.7050158097533 split increased to 2 itime 318451 + acceleration/energy drift too large 6.17925344863328 + 19.1739389932938 split increased to 2 itime 319114 itsplit 1 - acceleration/energy drift too large 3.93026888825868 - 14.4340790296369 split increased to 2 itime 319151 - itsplit 1 - acceleration/energy drift too large 3.76885090296648 - 18.0826927449576 split increased to 2 itime 319805 + acceleration/energy drift too large 4.30612352097854 + 10.2084841756287 split increased to 2 itime 319277 itsplit 1 Velocities reset to random values, time 63999.80 - acceleration/energy drift too large 4.08803942705843 - 11.8205873394884 split increased to 2 itime 322007 - itsplit 1 - acceleration/energy drift too large 3.92579781793047 - 15.7690873890693 split increased to 2 itime 323090 + acceleration/energy drift too large 5.82909386848884 + 18.1396752863141 split increased to 2 itime 323272 itsplit 1 - acceleration/energy drift too large 4.27265135737032 - 14.1668109960266 split increased to 2 itime 325937 + acceleration/energy drift too large 4.99594290967216 + 15.2612715869497 split increased to 2 itime 325276 itsplit 1 - acceleration/energy drift too large 5.43768307623320 - 23.9371557270110 split increased to 2 itime 328670 + acceleration/energy drift too large 3.80274993500041 + 11.2636525275173 split increased to 2 itime 325768 itsplit 1 - acceleration/energy drift too large 4.21832835656375 - 31.0777205779123 split increased to 2 itime 328707 - itsplit 1 - acceleration/energy drift too large 1.70192975547704 - 10.4776889889865 split increased to 2 itime 328842 + acceleration/energy drift too large 8.65670454357624 + 34.8542033024505 split increased to 2 itime 328800 itsplit 1 Velocities reset to random values, time 65999.80 - acceleration/energy drift too large 2.00267703933908 - 15.3628840282712 split increased to 2 itime 330736 - itsplit 1 - acceleration/energy drift too large 1.95149143561907 - 12.0354335193892 split increased to 2 itime 331015 - itsplit 1 - acceleration/energy drift too large 8.50880094431559 - 36.0291693574321 split increased to 2 itime 331576 - itsplit 1 - acceleration/energy drift too large 4.11280909622188 - 12.6777598090510 split increased to 2 itime 332833 - itsplit 1 - acceleration/energy drift too large 2.22760588862768 - 10.8649737769088 split increased to 2 itime 333353 - itsplit 1 - acceleration/energy drift too large 2.49037525269784 - 14.4140412569917 split increased to 2 itime 333954 + acceleration/energy drift too large 12.3702744101952 + 67.9440822598173 split increased to 2 itime 331001 itsplit 1 - acceleration/energy drift too large 9.35824594007578 - 38.9619479321842 split increased to 2 itime 334287 + acceleration/energy drift too large 4.96885932975669 + 27.3993910150084 split increased to 2 itime 333828 itsplit 1 - acceleration/energy drift too large 3.04840990182969 - 11.3509207152102 split increased to 2 itime 335521 + acceleration/energy drift too large 6.73512206117244 + 23.4156513612148 split increased to 2 itime 336672 itsplit 1 - acceleration/energy drift too large 3.61934285190469 - 25.7081689100085 split increased to 2 itime 336824 - itsplit 1 - acceleration/energy drift too large 5.95062799615278 - 17.9255368522967 split increased to 2 itime 339137 + acceleration/energy drift too large 4.67410275651991 + 14.1780830062519 split increased to 2 itime 337494 itsplit 1 Velocities reset to random values, time 67999.80 - acceleration/energy drift too large 3.45314811481441 - 10.0210100363967 split increased to 2 itime 341392 - itsplit 1 - acceleration/energy drift too large 1.58845073930669 - 10.6098090008530 split increased to 2 itime 341393 + acceleration/energy drift too large 4.38341967987895 + 12.3387664462395 split increased to 2 itime 341368 itsplit 1 - acceleration/energy drift too large 6.21668524740143 - 14.9376410344947 split increased to 2 itime 344017 + acceleration/energy drift too large 4.95965441431178 + 11.2019310790003 split increased to 2 itime 341910 itsplit 1 - acceleration/energy drift too large 10.3177225098124 - 50.2717257267007 split increased to 2 itime 345783 + acceleration/energy drift too large 2.81631279124594 + 19.6629560425064 split increased to 2 itime 342369 itsplit 1 - acceleration/energy drift too large 6.39059870300033 - 23.5681868470340 split increased to 2 itime 346085 + acceleration/energy drift too large 5.30805689722811 + 15.6354540228692 split increased to 2 itime 344075 itsplit 1 - acceleration/energy drift too large 9.20679280045481 - 37.6232587936596 split increased to 2 itime 347528 + acceleration/energy drift too large 5.93163421689138 + 24.1072961118975 split increased to 2 itime 345559 itsplit 1 - acceleration/energy drift too large 6.59503915040581 - 19.6680568385312 split increased to 2 itime 347864 + acceleration/energy drift too large 6.67789576272149 + 18.6167707770070 split increased to 2 itime 346672 itsplit 1 - acceleration/energy drift too large 2.65626970328201 - 10.9481060188250 split increased to 2 itime 347865 + acceleration/energy drift too large 7.01407403587426 + 16.3185714414258 split increased to 2 itime 346739 itsplit 1 - acceleration/energy drift too large 5.49042150473414 - 12.9021779746950 split increased to 2 itime 348025 + acceleration/energy drift too large 4.90144927917411 + 24.8732091506905 split increased to 2 itime 347823 itsplit 1 -Velocities reset to random values, time 69999.80 - acceleration/energy drift too large 5.97944405569452 - 20.1039031952161 split increased to 2 itime 351493 + acceleration/energy drift too large 5.03381894235578 + 19.6452821994381 split increased to 2 itime 349489 itsplit 1 - acceleration/energy drift too large 15.2963949499821 - 103.353946536942 split increased to 2 itime 352446 + acceleration/energy drift too large 11.7242682304727 + 63.0212313293702 split increased to 2 itime 349699 itsplit 1 - acceleration/energy drift too large 3.06470587628376 - 14.3345739538126 split increased to 2 itime 353215 +Velocities reset to random values, time 69999.80 + acceleration/energy drift too large 5.09267080756254 + 12.6311631096094 split increased to 2 itime 351743 itsplit 1 - acceleration/energy drift too large 5.57433151031143 - 38.2541405007332 split increased to 2 itime 353228 + acceleration/energy drift too large 5.75520505765500 + 19.8677370147375 split increased to 2 itime 351847 itsplit 1 - acceleration/energy drift too large 5.39193319947123 - 12.4747610144976 split increased to 2 itime 355975 + acceleration/energy drift too large 6.67264568992455 + 19.3641394827380 split increased to 2 itime 352607 itsplit 1 - acceleration/energy drift too large 6.18131488988839 - 12.9297812066157 split increased to 2 itime 356620 + acceleration/energy drift too large 4.70543836290285 + 15.5865450958695 split increased to 2 itime 356566 itsplit 1 - acceleration/energy drift too large 6.22923911003962 - 19.7207711455965 split increased to 2 itime 358243 + acceleration/energy drift too large 2.76904349113884 + 15.5059143758396 split increased to 2 itime 357504 itsplit 1 Velocities reset to random values, time 71999.80 - acceleration/energy drift too large 3.87235344064219 - 10.1210735436387 split increased to 2 itime 360556 - itsplit 1 - acceleration/energy drift too large 2.86176734731506 - 23.9901172813311 split increased to 2 itime 361159 - itsplit 1 - acceleration/energy drift too large 2.99764827998036 - 11.5689534933833 split increased to 2 itime 362896 - itsplit 1 - acceleration/energy drift too large 5.58999297362174 - 13.6066182154703 split increased to 2 itime 365252 - itsplit 1 - acceleration/energy drift too large 3.97199902684499 - 22.5436941512342 split increased to 2 itime 365611 - itsplit 1 - acceleration/energy drift too large 4.21567840004456 - 10.6009727213378 split increased to 2 itime 367534 + acceleration/energy drift too large 7.15927735907959 + 23.2172286203546 split increased to 2 itime 368736 itsplit 1 Velocities reset to random values, time 73999.80 - acceleration/energy drift too large 5.91942291413027 - 20.7471231299233 split increased to 2 itime 370129 - itsplit 1 - acceleration/energy drift too large 6.25563074698015 - 23.8579054180979 split increased to 2 itime 374181 + acceleration/energy drift too large 7.11357282846481 + 23.9751576451092 split increased to 2 itime 372296 itsplit 1 - acceleration/energy drift too large 3.84134767331433 - 12.1971843818663 split increased to 2 itime 374295 + acceleration/energy drift too large 2.99372684187043 + 17.8227875423887 split increased to 2 itime 373982 itsplit 1 - acceleration/energy drift too large 4.24090764754051 - 11.2489538446443 split increased to 2 itime 374597 + acceleration/energy drift too large 5.01726181115793 + 18.8320778666683 split increased to 2 itime 374959 itsplit 1 - acceleration/energy drift too large 5.48727927291931 - 33.2378616431118 split increased to 2 itime 375491 + acceleration/energy drift too large 10.8331375174575 + 54.7614933355484 split increased to 2 itime 375032 itsplit 1 - acceleration/energy drift too large 4.14974596991423 - 21.5975911906477 split increased to 2 itime 376451 + acceleration/energy drift too large 3.29180885859479 + 15.5657861488734 split increased to 2 itime 376099 itsplit 1 - acceleration/energy drift too large 5.59031435196680 - 10.2633124685847 split increased to 2 itime 377003 + acceleration/energy drift too large 4.59393117629835 + 25.0601642367421 split increased to 2 itime 376148 itsplit 1 - acceleration/energy drift too large 3.73198654291689 - 17.8973424463536 split increased to 2 itime 377712 + acceleration/energy drift too large 2.23638715991377 + 10.1257347974241 split increased to 2 itime 376149 itsplit 1 -Velocities reset to random values, time 75999.80 - acceleration/energy drift too large 10.2393218649492 - 59.1942278126544 split increased to 2 itime 380872 + acceleration/energy drift too large 2.72289067936150 + 11.0882209082805 split increased to 2 itime 376992 itsplit 1 - acceleration/energy drift too large 3.20515871787138 - 15.4418107051870 split increased to 2 itime 381099 + acceleration/energy drift too large 9.71751733286233 + 40.5344471258466 split increased to 2 itime 377745 itsplit 1 - acceleration/energy drift too large 8.87256116114153 - 39.4609076906812 split increased to 2 itime 381911 +Velocities reset to random values, time 75999.80 + acceleration/energy drift too large 6.66208714851058 + 15.8383538582103 split increased to 2 itime 382003 itsplit 1 - acceleration/energy drift too large 3.64874574606788 - 16.9939705715486 split increased to 2 itime 382370 + acceleration/energy drift too large 2.94255366526444 + 11.7408896378324 split increased to 2 itime 387881 itsplit 1 - acceleration/energy drift too large 6.79420380742341 - 29.8186737799615 split increased to 2 itime 382471 + acceleration/energy drift too large 6.57082299145938 + 26.2002495514376 split increased to 2 itime 387883 itsplit 1 - acceleration/energy drift too large 10.3675808868022 - 52.2640308590989 split increased to 2 itime 385042 + acceleration/energy drift too large 6.41286248333091 + 21.0533394584010 split increased to 2 itime 388315 itsplit 1 - acceleration/energy drift too large 5.48088579585186 - 10.0756626819146 split increased to 2 itime 385578 + acceleration/energy drift too large 4.43574296880089 + 11.5619235106307 split increased to 2 itime 388636 itsplit 1 - acceleration/energy drift too large 2.09137444106022 - 13.4934710508630 split increased to 2 itime 388224 + acceleration/energy drift too large 8.94717810480495 + 35.7816405596013 split increased to 2 itime 389244 itsplit 1 - acceleration/energy drift too large 8.44874727981708 - 31.8804504890599 split increased to 2 itime 389246 + acceleration/energy drift too large 3.19731217535774 + 12.3895544638850 split increased to 2 itime 389245 itsplit 1 Velocities reset to random values, time 77999.80 - acceleration/energy drift too large 5.23778880725004 - 21.7315411929465 split increased to 2 itime 390309 - itsplit 1 - acceleration/energy drift too large 5.31767249130026 - 11.6382724895183 split increased to 2 itime 393673 - itsplit 1 - acceleration/energy drift too large 4.35515625559030 - 13.2041317374769 split increased to 2 itime 393899 - itsplit 1 - acceleration/energy drift too large 3.00916457256979 - 19.9929199155991 split increased to 2 itime 395128 - itsplit 1 - acceleration/energy drift too large 7.18287904236072 - 17.2442328139823 split increased to 2 itime 395629 + acceleration/energy drift too large 6.67884029721190 + 23.6700301964307 split increased to 2 itime 390343 itsplit 1 - acceleration/energy drift too large 4.95402334956287 - 10.5139037712410 split increased to 2 itime 396033 + acceleration/energy drift too large 5.80187243579720 + 20.1981262201935 split increased to 2 itime 393655 itsplit 1 - acceleration/energy drift too large 8.65499609457530 - 27.8476204575101 split increased to 2 itime 396532 + acceleration/energy drift too large 6.12152284092122 + 22.0941501063336 split increased to 2 itime 393734 itsplit 1 - acceleration/energy drift too large 6.36182556517703 - 21.8885867397166 split increased to 2 itime 396890 + acceleration/energy drift too large 3.42770997438472 + 25.3781643568897 split increased to 2 itime 394638 itsplit 1 - acceleration/energy drift too large 2.86024237243479 - 15.7876634364277 split increased to 4 itime 396890 + acceleration/energy drift too large 1.30367113074551 + 10.3210786960360 split increased to 2 itime 397840 itsplit 1 - acceleration/energy drift too large 5.13634510980324 - 18.5477778744243 split increased to 2 itime 397527 + acceleration/energy drift too large 7.59151736257134 + 26.6280567997637 split increased to 2 itime 398974 itsplit 1 Velocities reset to random values, time 79999.80 REMD synchro at 400000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 165.867187500000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 142.480468750000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.25000 8 -ACC 2 260.00000 0.25000 8 -ACC 3 270.00000 0.62500 8 -ACC 4 280.00000 0.75000 8 -ACC 5 290.00000 0.75000 8 -ACC 6 300.00000 0.87500 8 -ACC 7 310.00000 0.62500 8 -ACC 8 320.00000 0.62500 8 -ACC 9 330.00000 0.75000 8 -ACC 10 340.00000 0.62500 8 -ACC 11 350.00000 0.87500 8 -ACC 12 360.00000 0.75000 8 -ACC 13 370.00000 0.62500 8 -ACC 14 380.00000 1.00000 8 -ACC 15 390.00000 0.87500 8 +ACC 1 250.00000 0.37500 8 +ACC 2 260.00000 0.50000 8 +ACC 3 270.00000 0.12500 8 +ACC 4 280.00000 0.75000 16 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 4.08131104433865 - 28.1214069943210 split increased to 2 itime 400520 + acceleration/energy drift too large 5.32493170788472 + 29.0273560614869 split increased to 2 itime 400525 itsplit 1 - acceleration/energy drift too large 2.68546289740008 - 19.2504803511104 split increased to 2 itime 401559 + acceleration/energy drift too large 4.46714535146728 + 12.0739543456654 split increased to 2 itime 400675 itsplit 1 - acceleration/energy drift too large 3.65092498874972 - 12.7372514704889 split increased to 2 itime 402250 + acceleration/energy drift too large 2.83861688858299 + 16.9042719057586 split increased to 2 itime 401880 itsplit 1 - acceleration/energy drift too large 3.69529495445388 - 10.5592900051384 split increased to 2 itime 402558 + acceleration/energy drift too large 2.72783328127732 + 18.4961231729049 split increased to 2 itime 402689 itsplit 1 - acceleration/energy drift too large 8.58321631406168 - 35.5301679067614 split increased to 2 itime 403454 + acceleration/energy drift too large 2.87792931319310 + 12.5384142559374 split increased to 2 itime 402996 itsplit 1 - acceleration/energy drift too large 5.89506313455245 - 22.5097543780549 split increased to 2 itime 404329 + acceleration/energy drift too large 10.2045431477155 + 44.1786058470144 split increased to 2 itime 403949 itsplit 1 - acceleration/energy drift too large 2.42166556921768 - 10.2095056219588 split increased to 2 itime 405408 + acceleration/energy drift too large 5.12755122441736 + 28.3412063709133 split increased to 2 itime 404230 itsplit 1 - acceleration/energy drift too large 5.82335807818702 - 10.8549644336888 split increased to 2 itime 406497 + acceleration/energy drift too large 4.93539820867640 + 14.8646700631729 split increased to 2 itime 404745 itsplit 1 - acceleration/energy drift too large 6.09315136008160 - 16.0551397541081 split increased to 2 itime 406736 + acceleration/energy drift too large 2.26380006107873 + 11.4113934103430 split increased to 2 itime 406020 itsplit 1 - acceleration/energy drift too large 6.10829318400511 - 30.0463360999633 split increased to 2 itime 407121 + acceleration/energy drift too large 2.03481141539749 + 12.5825513081388 split increased to 2 itime 407983 itsplit 1 - acceleration/energy drift too large 6.79774409551392 - 26.7507801989400 split increased to 2 itime 409603 - itsplit 1 - acceleration/energy drift too large 4.63909560024811 - 11.1537360813933 split increased to 2 itime 409648 + acceleration/energy drift too large 3.45294110899470 + 18.8113934159324 split increased to 2 itime 408029 itsplit 1 Velocities reset to random values, time 81999.80 - acceleration/energy drift too large 3.44189022432154 - 21.7710428922571 split increased to 2 itime 413946 - itsplit 1 - acceleration/energy drift too large 5.10165621132056 - 12.5489215229761 split increased to 2 itime 413975 - itsplit 1 - acceleration/energy drift too large 3.68775356786942 - 15.0518447274982 split increased to 2 itime 413976 - itsplit 1 - acceleration/energy drift too large 5.73712258860992 - 28.4695493296148 split increased to 2 itime 414140 + acceleration/energy drift too large 2.67253406127380 + 24.0210422458926 split increased to 2 itime 413810 itsplit 1 - acceleration/energy drift too large 5.57709538150628 - 11.9589836077116 split increased to 2 itime 414583 + acceleration/energy drift too large 10.2153655598504 + 40.2354588978436 split increased to 2 itime 414933 itsplit 1 - acceleration/energy drift too large 2.39252674362135 - 17.6382499065707 split increased to 2 itime 416651 + acceleration/energy drift too large 2.90457257441889 + 17.0862959784272 split increased to 2 itime 415957 itsplit 1 - acceleration/energy drift too large 4.63784037850490 - 16.1308152674910 split increased to 2 itime 416711 + acceleration/energy drift too large 3.50552082213194 + 13.1964980853214 split increased to 2 itime 416727 itsplit 1 - acceleration/energy drift too large 2.66129801062715 - 10.0309315599572 split increased to 2 itime 419592 - itsplit 1 - acceleration/energy drift too large 2.77020354478237 - 10.2650644471345 split increased to 2 itime 419919 + acceleration/energy drift too large 9.09933566753670 + 38.5786861541891 split increased to 2 itime 417681 itsplit 1 Velocities reset to random values, time 83999.80 - acceleration/energy drift too large 2.97696674649760 - 17.7250677071281 split increased to 2 itime 421250 - itsplit 1 - acceleration/energy drift too large 2.96875111277707 - 17.2227980858951 split increased to 2 itime 422059 - itsplit 1 - acceleration/energy drift too large 4.68122032429797 - 26.9812980480402 split increased to 2 itime 423154 - itsplit 1 - acceleration/energy drift too large 2.26424666114932 - 13.0007141827916 split increased to 2 itime 424789 + acceleration/energy drift too large 2.52569745759244 + 12.2162956891196 split increased to 2 itime 421928 itsplit 1 - acceleration/energy drift too large 4.67513722974459 - 12.0557143057046 split increased to 2 itime 425202 + acceleration/energy drift too large 5.97599437511640 + 21.6916512321359 split increased to 2 itime 422780 itsplit 1 - acceleration/energy drift too large 2.71592608059469 - 12.2888955798954 split increased to 2 itime 427298 + acceleration/energy drift too large 2.93863228809361 + 16.8537947732041 split increased to 2 itime 422941 itsplit 1 - acceleration/energy drift too large 10.1089063652153 - 46.1714055530536 split increased to 2 itime 427584 + acceleration/energy drift too large 2.93453683405904 + 15.3323143382362 split increased to 2 itime 423131 itsplit 1 - acceleration/energy drift too large 5.14945938779930 - 20.2003085866792 split increased to 2 itime 429063 + acceleration/energy drift too large 2.31931728762659 + 12.5637825433506 split increased to 2 itime 423187 itsplit 1 -Velocities reset to random values, time 85999.80 - acceleration/energy drift too large 2.89783185551242 - 23.2076019551570 split increased to 2 itime 431683 - itsplit 1 - acceleration/energy drift too large 5.65681766975093 - 20.2744130535160 split increased to 2 itime 432934 + acceleration/energy drift too large 4.10046716656242 + 12.5943568909533 split increased to 2 itime 425255 itsplit 1 - acceleration/energy drift too large 4.42669842749397 - 11.0745023704507 split increased to 2 itime 433314 + acceleration/energy drift too large 2.42342886407603 + 12.7312638629128 split increased to 2 itime 425865 itsplit 1 - acceleration/energy drift too large 2.64300034012740 - 19.7197273095589 split increased to 2 itime 433909 + acceleration/energy drift too large 6.87487825345447 + 19.6560086206610 split increased to 2 itime 426401 itsplit 1 - acceleration/energy drift too large 5.27669373346948 - 17.2535025548032 split increased to 2 itime 434027 + acceleration/energy drift too large 7.58162641443428 + 28.3890728282636 split increased to 2 itime 427856 itsplit 1 - acceleration/energy drift too large 4.19082813980399 - 11.3353741850572 split increased to 2 itime 434266 - itsplit 1 - acceleration/energy drift too large 3.83123080852383 - 22.5494514024701 split increased to 2 itime 434268 +Velocities reset to random values, time 85999.80 + acceleration/energy drift too large 5.23436279590845 + 13.2659959282567 split increased to 2 itime 430146 itsplit 1 - acceleration/energy drift too large 13.3843247843890 - 97.0198699757399 split increased to 2 itime 437216 + acceleration/energy drift too large 2.57092937493091 + 16.9506897266982 split increased to 2 itime 430248 itsplit 1 - acceleration/energy drift too large 3.21453272257655 - 24.0262884531644 split increased to 2 itime 437643 + acceleration/energy drift too large 6.85989085558364 + 21.9655316769294 split increased to 2 itime 434731 itsplit 1 - acceleration/energy drift too large 5.58309206386641 - 34.8731192386739 split increased to 2 itime 437865 + acceleration/energy drift too large 3.35864697559107 + 24.3445385247188 split increased to 2 itime 436206 itsplit 1 - acceleration/energy drift too large 4.08927457417570 - 18.8614037483303 split increased to 2 itime 439344 + acceleration/energy drift too large 2.93649920762540 + 14.9837967030107 split increased to 2 itime 438271 itsplit 1 Velocities reset to random values, time 87999.80 - acceleration/energy drift too large 2.84092081062721 - 18.2818596292938 split increased to 2 itime 440902 + acceleration/energy drift too large 11.9839476543948 + 45.5988815114562 split increased to 2 itime 443145 itsplit 1 - acceleration/energy drift too large 7.61378505729166 - 27.9273058029887 split increased to 2 itime 441207 + acceleration/energy drift too large 4.75610599949915 + 10.2239474142417 split increased to 2 itime 443458 itsplit 1 - acceleration/energy drift too large 6.71741245272129 - 18.3666169032081 split increased to 2 itime 441498 + acceleration/energy drift too large 6.91685859740854 + 25.5013553977978 split increased to 2 itime 444651 itsplit 1 - acceleration/energy drift too large 2.09797310899579 - 15.8538736910526 split increased to 2 itime 441964 + acceleration/energy drift too large 4.40182820866005 + 11.4282118050382 split increased to 2 itime 444709 itsplit 1 - acceleration/energy drift too large 4.79259265862290 - 23.8624282961871 split increased to 2 itime 443290 + acceleration/energy drift too large 4.89313263112850 + 24.3588451086808 split increased to 2 itime 445068 itsplit 1 - acceleration/energy drift too large 9.61283488733788 - 42.2861471824891 split increased to 2 itime 446254 + acceleration/energy drift too large 2.10285917866903 + 10.6266819576768 split increased to 2 itime 445981 itsplit 1 - acceleration/energy drift too large 5.80010767319744 - 11.6594933889414 split increased to 2 itime 446677 + acceleration/energy drift too large 2.03275188080230 + 12.3292723321576 split increased to 2 itime 446997 itsplit 1 - acceleration/energy drift too large 5.54363461747517 - 11.3470711278185 split increased to 2 itime 447740 + acceleration/energy drift too large 3.58241644230275 + 14.1628557835081 split increased to 2 itime 447329 itsplit 1 -Velocities reset to random values, time 89999.80 - acceleration/energy drift too large 2.19411944625419 - 10.5867598635033 split increased to 2 itime 453246 - itsplit 1 - acceleration/energy drift too large 5.24153589803471 - 13.1606676254627 split increased to 2 itime 453846 - itsplit 1 - acceleration/energy drift too large 3.53813905744832 - 19.2476536725415 split increased to 2 itime 454556 - itsplit 1 - acceleration/energy drift too large 3.48911372254137 - 21.6847586376759 split increased to 2 itime 454927 + acceleration/energy drift too large 7.53431730217662 + 27.6606453385028 split increased to 2 itime 447544 itsplit 1 - acceleration/energy drift too large 10.4056972241836 - 57.9255616918442 split increased to 2 itime 455339 + acceleration/energy drift too large 5.01202671082395 + 12.7748084773939 split increased to 2 itime 449720 itsplit 1 - acceleration/energy drift too large 5.90589318946003 - 15.6300978326363 split increased to 2 itime 456330 +Velocities reset to random values, time 89999.80 + acceleration/energy drift too large 9.11980813756612 + 40.1106668707255 split increased to 2 itime 457136 itsplit 1 - acceleration/energy drift too large 4.45985492448762 - 11.9203321288071 split increased to 2 itime 456530 + acceleration/energy drift too large 4.15511697559627 + 11.2763140537899 split increased to 2 itime 457997 itsplit 1 - acceleration/energy drift too large 4.26928155884929 - 12.0138039899545 split increased to 2 itime 456841 + acceleration/energy drift too large 5.44256048797883 + 10.3897340637927 split increased to 2 itime 459519 itsplit 1 - acceleration/energy drift too large 4.68747752629654 - 16.6195962770648 split increased to 2 itime 458999 +Velocities reset to random values, time 91999.80 + acceleration/energy drift too large 5.86532861379937 + 21.5017840644272 split increased to 2 itime 461736 itsplit 1 - acceleration/energy drift too large 5.28483581931999 - 20.3142444413269 split increased to 2 itime 459546 + acceleration/energy drift too large 11.5841062442136 + 67.8849373198122 split increased to 2 itime 463081 itsplit 1 - acceleration/energy drift too large 6.21508537208734 - 40.3172032563645 split increased to 2 itime 459736 + acceleration/energy drift too large 8.60093452310442 + 27.6138425515302 split increased to 2 itime 467825 itsplit 1 -Velocities reset to random values, time 91999.80 - acceleration/energy drift too large 2.04425009165896 - 15.4407702813567 split increased to 2 itime 460271 + acceleration/energy drift too large 3.83122319363030 + 12.5094109597700 split increased to 2 itime 468373 itsplit 1 - acceleration/energy drift too large 8.72646906074623 - 31.0150046007286 split increased to 2 itime 462796 + acceleration/energy drift too large 4.10344973966051 + 25.1696738097453 split increased to 2 itime 468981 itsplit 1 - acceleration/energy drift too large 3.76270007579637 - 13.7473479513912 split increased to 2 itime 465030 + acceleration/energy drift too large 6.28292584349362 + 19.4935601087376 split increased to 2 itime 469650 itsplit 1 - acceleration/energy drift too large 5.81215140118286 - 16.9247933799676 split increased to 2 itime 465151 +Velocities reset to random values, time 93999.80 + acceleration/energy drift too large 4.77455905647420 + 15.3055689234106 split increased to 2 itime 470340 itsplit 1 - acceleration/energy drift too large 2.16165827062120 - 11.8896945460193 split increased to 2 itime 466342 + acceleration/energy drift too large 10.0559569690840 + 44.2380164314920 split increased to 2 itime 470858 itsplit 1 - acceleration/energy drift too large 2.44206101459086 - 13.9903850053909 split increased to 2 itime 466870 + acceleration/energy drift too large 2.72860411809443 + 10.9077396171635 split increased to 2 itime 470859 itsplit 1 - acceleration/energy drift too large 4.02120415915202 - 21.6859134970394 split increased to 2 itime 467898 + acceleration/energy drift too large 5.88070012312465 + 20.3823667897915 split increased to 2 itime 470901 itsplit 1 - acceleration/energy drift too large 3.87168348522190 - 16.4798814083216 split increased to 2 itime 467943 + acceleration/energy drift too large 4.90262160587327 + 29.4009004277612 split increased to 2 itime 472409 itsplit 1 - acceleration/energy drift too large 3.01339281786167 - 10.6156224334280 split increased to 2 itime 468434 + acceleration/energy drift too large 7.90320804156566 + 29.5495966188750 split increased to 2 itime 475468 itsplit 1 - acceleration/energy drift too large 4.94584161337681 - 12.7515244987281 split increased to 2 itime 468441 +Velocities reset to random values, time 95999.80 + acceleration/energy drift too large 2.06711437896088 + 11.4512419344409 split increased to 2 itime 481452 itsplit 1 - acceleration/energy drift too large 9.37809517237604 - 33.0826214426526 split increased to 2 itime 468589 + acceleration/energy drift too large 3.79051786105195 + 10.9275676106106 split increased to 2 itime 481501 itsplit 1 - acceleration/energy drift too large 3.01413489471433 - 24.9640039243721 split increased to 2 itime 469009 + acceleration/energy drift too large 3.37891418350268 + 11.9266618198760 split increased to 2 itime 482212 itsplit 1 -Velocities reset to random values, time 93999.80 - acceleration/energy drift too large 10.3896166341715 - 53.8415749834004 split increased to 2 itime 471685 + acceleration/energy drift too large 4.82979694178335 + 10.7125498060470 split increased to 2 itime 482618 itsplit 1 - acceleration/energy drift too large 4.45448289851289 - 10.8729787504265 split increased to 2 itime 471820 + acceleration/energy drift too large 3.41589362275692 + 14.5025730813520 split increased to 2 itime 484880 itsplit 1 - acceleration/energy drift too large 2.25622477190417 - 15.5567641243196 split increased to 2 itime 472338 +Velocities reset to random values, time 97999.80 + acceleration/energy drift too large 9.85024167101188 + 47.1476124144211 split increased to 2 itime 493106 itsplit 1 - acceleration/energy drift too large 6.92195296793394 - 23.5797596205209 split increased to 2 itime 472831 + acceleration/energy drift too large 3.42819885516005 + 30.4138720725235 split increased to 2 itime 498140 itsplit 1 - acceleration/energy drift too large 5.59436721052518 - 17.6959900514576 split increased to 2 itime 472991 + acceleration/energy drift too large 5.37336121855919 + 12.1381874767450 split increased to 2 itime 498593 itsplit 1 - acceleration/energy drift too large 2.78698486538341 - 12.7112384526543 split increased to 2 itime 475631 + acceleration/energy drift too large 8.35391326976259 + 26.9161430000085 split increased to 2 itime 498722 itsplit 1 - acceleration/energy drift too large 5.57423946814562 - 14.2960297707255 split increased to 2 itime 475870 +Velocities reset to random values, time 99999.80 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 178.164062500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.30000 10 +ACC 2 260.00000 0.40000 10 +ACC 3 270.00000 0.10000 10 +ACC 4 280.00000 0.79167 24 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 6.13650507562149 + 21.7613101487031 split increased to 2 itime 502474 itsplit 1 - acceleration/energy drift too large 4.72454624800943 - 10.3231887148999 split increased to 2 itime 479609 + acceleration/energy drift too large 3.41254129436965 + 13.7786724631385 split increased to 2 itime 505274 itsplit 1 - acceleration/energy drift too large 7.16693288846281 - 23.4992816951361 split increased to 2 itime 479896 +Velocities reset to random values, time 101999.80 + acceleration/energy drift too large 10.2550715509833 + 51.8026501815320 split increased to 2 itime 511823 itsplit 1 -Velocities reset to random values, time 95999.80 - acceleration/energy drift too large 9.58994641667122 - 40.7844280188477 split increased to 2 itime 480049 + acceleration/energy drift too large 10.4300195773746 + 45.4167559931097 split increased to 2 itime 513861 itsplit 1 - acceleration/energy drift too large 2.06188903875319 - 12.2895571958580 split increased to 2 itime 480050 + acceleration/energy drift too large 3.91348312636596 + 24.8358250138375 split increased to 4 itime 513861 itsplit 1 - acceleration/energy drift too large 7.49742729929865 - 25.9150998948367 split increased to 2 itime 480670 + acceleration/energy drift too large 5.64311570312450 + 15.0131455123082 split increased to 2 itime 514297 itsplit 1 - acceleration/energy drift too large 4.39415164043224 - 14.1851658298882 split increased to 2 itime 480921 + acceleration/energy drift too large 1.42268073126194 + 13.7426344402459 split increased to 2 itime 514406 itsplit 1 - acceleration/energy drift too large 3.92127864719573 - 10.5919582119646 split increased to 2 itime 481710 + acceleration/energy drift too large 5.91366708149794 + 13.3470197340095 split increased to 2 itime 514506 itsplit 1 - acceleration/energy drift too large 5.37594934608175 - 10.4078903723203 split increased to 2 itime 484531 + acceleration/energy drift too large 8.89187799160198 + 28.6465325002970 split increased to 2 itime 514678 itsplit 1 - acceleration/energy drift too large 2.69899722065388 - 12.4817540714063 split increased to 2 itime 485014 + acceleration/energy drift too large 2.57052796504428 + 13.3005239189833 split increased to 4 itime 514678 itsplit 1 - acceleration/energy drift too large 3.23076363681653 - 14.4085071140903 split increased to 2 itime 485430 + acceleration/energy drift too large 4.35848451439378 + 11.4731453503445 split increased to 2 itime 516020 itsplit 1 - acceleration/energy drift too large 3.59014128046676 - 10.4310076618583 split increased to 2 itime 485633 + acceleration/energy drift too large 3.50507996194288 + 12.0351373786745 split increased to 2 itime 516909 itsplit 1 - acceleration/energy drift too large 9.52306636646957 - 45.1706982129731 split increased to 2 itime 485752 + acceleration/energy drift too large 4.48797751992146 + 24.6332833515170 split increased to 2 itime 517113 itsplit 1 - acceleration/energy drift too large 4.32984886380681 - 21.5592146709994 split increased to 2 itime 486544 + acceleration/energy drift too large 3.72529623839987 + 10.5462745109289 split increased to 2 itime 517488 itsplit 1 -Velocities reset to random values, time 97999.80 - acceleration/energy drift too large 6.99897096133961 - 22.3465353698062 split increased to 2 itime 490836 + acceleration/energy drift too large 3.37235072508537 + 11.4515723456415 split increased to 2 itime 517575 itsplit 1 - acceleration/energy drift too large 6.08294740363342 - 23.8878793681183 split increased to 2 itime 494465 +Velocities reset to random values, time 103999.80 + acceleration/energy drift too large 5.57216516981162 + 31.7556654926238 split increased to 2 itime 521577 itsplit 1 - acceleration/energy drift too large 5.40740415215286 - 22.0534182303298 split increased to 2 itime 495178 + acceleration/energy drift too large 3.78213921917849 + 16.0139356873618 split increased to 2 itime 521693 itsplit 1 - acceleration/energy drift too large 6.51972053879967 - 13.4453918384358 split increased to 2 itime 498272 + acceleration/energy drift too large 6.79103354346967 + 10.9484625608204 split increased to 2 itime 521736 itsplit 1 - acceleration/energy drift too large 1.93706319042993 - 10.3690093699879 split increased to 2 itime 498903 + acceleration/energy drift too large 9.13908059108645 + 34.8535046616486 split increased to 2 itime 524292 itsplit 1 -Velocities reset to random values, time 99999.80 - REMD synchro at 500000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 206.769531250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.30000 10 -ACC 2 260.00000 0.20000 10 -ACC 3 270.00000 0.60000 10 -ACC 4 280.00000 0.80000 10 -ACC 5 290.00000 0.70000 10 -ACC 6 300.00000 0.90000 10 -ACC 7 310.00000 0.60000 10 -ACC 8 320.00000 0.50000 10 -ACC 9 330.00000 0.80000 10 -ACC 10 340.00000 0.70000 10 -ACC 11 350.00000 0.80000 10 -ACC 12 360.00000 0.80000 10 -ACC 13 370.00000 0.60000 10 -ACC 14 380.00000 1.00000 10 -ACC 15 390.00000 0.90000 10 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 2.73779437149400 - 13.7042452529319 split increased to 2 itime 502437 + acceleration/energy drift too large 6.87972100488863 + 19.0796552139991 split increased to 2 itime 524621 itsplit 1 - acceleration/energy drift too large 8.92676375386783 - 34.3730580914860 split increased to 2 itime 505769 + acceleration/energy drift too large 7.13395894349088 + 19.2147820884866 split increased to 2 itime 525776 itsplit 1 - acceleration/energy drift too large 3.17870217561276 - 13.2574384589638 split increased to 2 itime 506721 + acceleration/energy drift too large 4.25521386666944 + 11.0712111276330 split increased to 2 itime 526217 itsplit 1 - acceleration/energy drift too large 5.45352126749485 - 11.1034727871275 split increased to 2 itime 507313 +Velocities reset to random values, time 105999.80 + acceleration/energy drift too large 5.70056831351558 + 14.2155200455811 split increased to 2 itime 531892 itsplit 1 - acceleration/energy drift too large 4.77983446875819 - 16.4391412026538 split increased to 2 itime 507612 + acceleration/energy drift too large 4.96324960977166 + 19.2271794245826 split increased to 2 itime 533706 itsplit 1 - acceleration/energy drift too large 5.22337562803196 - 15.4898404810955 split increased to 2 itime 509048 + acceleration/energy drift too large 4.44930692359676 + 10.0207095389912 split increased to 2 itime 533994 itsplit 1 - acceleration/energy drift too large 5.73452479788637 - 13.9017423021263 split increased to 2 itime 509216 + acceleration/energy drift too large 12.5729967050467 + 74.0549996172125 split increased to 2 itime 538959 itsplit 1 - acceleration/energy drift too large 3.01895127368496 - 10.7312036900092 split increased to 2 itime 509794 +Velocities reset to random values, time 107999.80 + acceleration/energy drift too large 2.67982397950877 + 13.5410873862349 split increased to 2 itime 540436 itsplit 1 -Velocities reset to random values, time 101999.80 - acceleration/energy drift too large 4.24098171167066 - 13.8707299083046 split increased to 2 itime 510270 + acceleration/energy drift too large 4.45346156053157 + 11.0152357347393 split increased to 2 itime 541858 itsplit 1 - acceleration/energy drift too large 3.58514130334633 - 13.5889827814111 split increased to 2 itime 510532 + acceleration/energy drift too large 6.15461266807888 + 25.5648716546203 split increased to 2 itime 544403 itsplit 1 - acceleration/energy drift too large 4.61878397799056 - 24.8229884465746 split increased to 2 itime 511343 + acceleration/energy drift too large 4.67329952007614 + 18.7675843450349 split increased to 2 itime 545293 itsplit 1 - acceleration/energy drift too large 13.2303902550074 - 81.6156018691102 split increased to 2 itime 511988 + acceleration/energy drift too large 6.09508000329448 + 11.4371657718246 split increased to 2 itime 545721 itsplit 1 - acceleration/energy drift too large 3.94365997870155 - 13.7675694047874 split increased to 2 itime 512122 + acceleration/energy drift too large 4.89598254926829 + 15.7158116129413 split increased to 2 itime 546908 itsplit 1 - acceleration/energy drift too large 10.5156904941394 - 33.4604926752452 split increased to 2 itime 512664 + acceleration/energy drift too large 6.65521607753979 + 29.6040425398555 split increased to 2 itime 547856 itsplit 1 - acceleration/energy drift too large 6.18409968291872 - 17.1960113597582 split increased to 2 itime 513527 + acceleration/energy drift too large 2.88047482560459 + 11.8288673762495 split increased to 2 itime 548084 itsplit 1 - acceleration/energy drift too large 2.68090931151968 - 11.2637218207440 split increased to 2 itime 515123 +Velocities reset to random values, time 109999.80 + acceleration/energy drift too large 4.54724327519890 + 10.7228710057252 split increased to 2 itime 551092 itsplit 1 - acceleration/energy drift too large 4.80604846241625 - 14.0350195957669 split increased to 2 itime 515611 + acceleration/energy drift too large 3.35500166435063 + 29.4102209520937 split increased to 2 itime 551279 itsplit 1 - acceleration/energy drift too large 4.66509978160827 - 15.8018652207700 split increased to 2 itime 516366 + acceleration/energy drift too large 13.7047946558257 + 72.4703531295341 split increased to 2 itime 551722 itsplit 1 - acceleration/energy drift too large 4.59552571661929 - 14.8933253791265 split increased to 2 itime 517839 + acceleration/energy drift too large 2.92703728261359 + 13.8839061114102 split increased to 4 itime 551722 + itsplit 2 + acceleration/energy drift too large 10.3979824683532 + 52.6634517758608 split increased to 2 itime 551950 itsplit 1 - acceleration/energy drift too large 8.09975270056622 - 30.9755867545556 split increased to 2 itime 518672 + acceleration/energy drift too large 12.4870909637965 + 64.9501480684714 split increased to 2 itime 555414 itsplit 1 - acceleration/energy drift too large 10.3978015559707 - 52.4503095829216 split increased to 2 itime 519283 + acceleration/energy drift too large 7.08737472491506 + 23.8147139214870 split increased to 2 itime 555524 itsplit 1 - acceleration/energy drift too large 7.09341611400089 - 16.0403702332936 split increased to 2 itime 519923 + acceleration/energy drift too large 10.8573908944145 + 57.8048434184198 split increased to 2 itime 555854 itsplit 1 -Velocities reset to random values, time 103999.80 - acceleration/energy drift too large 2.39647937906399 - 14.8000252997061 split increased to 2 itime 520034 + acceleration/energy drift too large 6.35280827471664 + 18.4437481779184 split increased to 2 itime 556668 itsplit 1 - acceleration/energy drift too large 4.13324535479762 - 12.4242500132600 split increased to 2 itime 520238 +Velocities reset to random values, time 111999.80 + acceleration/energy drift too large 6.28339125295257 + 17.4493982665097 split increased to 2 itime 560320 itsplit 1 - acceleration/energy drift too large 4.29368500932871 - 17.9139191035096 split increased to 2 itime 521292 + acceleration/energy drift too large 2.45579031049088 + 14.0841964901882 split increased to 2 itime 563730 itsplit 1 - acceleration/energy drift too large 3.40288322546732 - 11.1699337249036 split increased to 2 itime 521941 + acceleration/energy drift too large 2.20984758353291 + 13.0048779452826 split increased to 2 itime 565061 itsplit 1 - acceleration/energy drift too large 5.86127208064540 - 21.5475122168981 split increased to 2 itime 523007 +Velocities reset to random values, time 113999.80 + acceleration/energy drift too large 5.34740854603147 + 11.9951127058679 split increased to 2 itime 570004 itsplit 1 - acceleration/energy drift too large 6.48003821181801 - 12.4616890128783 split increased to 2 itime 523235 + acceleration/energy drift too large 4.94751727518024 + 25.1760577346454 split increased to 2 itime 571088 itsplit 1 - acceleration/energy drift too large 4.26770150397311 - 10.4731894279542 split increased to 2 itime 523372 + acceleration/energy drift too large 5.65163082323002 + 15.0758320824058 split increased to 2 itime 577853 itsplit 1 - acceleration/energy drift too large 3.57543545320117 - 11.0745750833288 split increased to 2 itime 524193 + acceleration/energy drift too large 7.10903040873281 + 26.0403507057773 split increased to 2 itime 578085 itsplit 1 - acceleration/energy drift too large 2.15091910476234 - 11.1362747835414 split increased to 2 itime 524270 + acceleration/energy drift too large 8.61079031440322 + 54.8866240140092 split increased to 2 itime 579840 itsplit 1 - acceleration/energy drift too large 2.92315785523942 - 15.4141166957378 split increased to 2 itime 525376 +Velocities reset to random values, time 115999.80 + acceleration/energy drift too large 2.64866117688739 + 11.2785828070202 split increased to 2 itime 580953 itsplit 1 - acceleration/energy drift too large 2.86526795238280 - 10.9832820574567 split increased to 2 itime 525708 + acceleration/energy drift too large 3.95911427761635 + 10.5741485920854 split increased to 2 itime 581162 itsplit 1 - acceleration/energy drift too large 4.27820140216715 - 22.1539414461780 split increased to 2 itime 525709 + acceleration/energy drift too large 3.63831327260785 + 10.5328693565908 split increased to 2 itime 583110 itsplit 1 - acceleration/energy drift too large 0.973987471568014 - 10.2739248935335 split increased to 2 itime 525741 + acceleration/energy drift too large 10.1414458548409 + 49.7139244736561 split increased to 2 itime 583431 itsplit 1 - acceleration/energy drift too large 3.47307217571836 - 10.1972649570678 split increased to 2 itime 525752 + acceleration/energy drift too large 3.85606487816132 + 10.0930682381403 split increased to 2 itime 584213 itsplit 1 - acceleration/energy drift too large 3.02448643736156 - 13.8157094429412 split increased to 2 itime 525915 + acceleration/energy drift too large 3.78569234652247 + 20.2575336451594 split increased to 2 itime 584714 itsplit 1 - acceleration/energy drift too large 2.77223477219073 - 21.0148696987104 split increased to 2 itime 525916 + acceleration/energy drift too large 6.08980862046736 + 14.1004077746522 split increased to 2 itime 586627 itsplit 1 - acceleration/energy drift too large 6.02273308155385 - 13.0049229654569 split increased to 2 itime 526051 + acceleration/energy drift too large 4.25683496866720 + 11.8040950247322 split increased to 2 itime 586895 itsplit 1 - acceleration/energy drift too large 4.33031213551804 - 11.6584020723687 split increased to 2 itime 526405 + acceleration/energy drift too large 12.3723153430617 + 61.5653886168644 split increased to 2 itime 587080 itsplit 1 - acceleration/energy drift too large 2.89987660969666 - 10.2115294208513 split increased to 2 itime 526791 + acceleration/energy drift too large 4.00480398992742 + 11.6336874665953 split increased to 2 itime 588010 itsplit 1 - acceleration/energy drift too large 5.52372885536780 - 13.5535612140281 split increased to 2 itime 528993 + acceleration/energy drift too large 5.47917253326589 + 20.8953880142594 split increased to 2 itime 589868 itsplit 1 -Velocities reset to random values, time 105999.80 - acceleration/energy drift too large 3.70275636200919 - 13.4710861934146 split increased to 2 itime 530474 + acceleration/energy drift too large 9.99209878960268 + 42.6855308830422 split increased to 2 itime 589946 itsplit 1 - acceleration/energy drift too large 2.41571166696613 - 12.4602175693832 split increased to 2 itime 530858 +Velocities reset to random values, time 117999.80 + acceleration/energy drift too large 5.65279440920450 + 16.8410895025587 split increased to 2 itime 591202 itsplit 1 - acceleration/energy drift too large 2.68349680397989 - 12.1152426457625 split increased to 2 itime 531249 + acceleration/energy drift too large 7.39413064176121 + 29.6545293404646 split increased to 2 itime 591989 itsplit 1 - acceleration/energy drift too large 8.77758438657475 - 37.8439925956811 split increased to 2 itime 533008 + acceleration/energy drift too large 2.28576860873103 + 15.9030392312553 split increased to 2 itime 591990 itsplit 1 - acceleration/energy drift too large 6.89339877829263 - 21.7218260282651 split increased to 2 itime 533631 + acceleration/energy drift too large 11.9520156035650 + 67.3310141453148 split increased to 2 itime 594362 itsplit 1 - acceleration/energy drift too large 3.27003317336367 - 11.2969528184949 split increased to 2 itime 533632 + acceleration/energy drift too large 8.12226784338269 + 32.8016333625779 split increased to 2 itime 595578 itsplit 1 - acceleration/energy drift too large 3.21117952990719 - 15.9270185873155 split increased to 2 itime 534114 + acceleration/energy drift too large 9.64190489492777 + 41.0415699266696 split increased to 2 itime 596639 itsplit 1 - acceleration/energy drift too large 4.11978610302706 - 10.2979167192968 split increased to 2 itime 535361 + acceleration/energy drift too large 5.29458956305827 + 17.2054992065185 split increased to 2 itime 596866 itsplit 1 - acceleration/energy drift too large 4.67166826625491 - 14.8946478841010 split increased to 2 itime 536759 + acceleration/energy drift too large 4.32283687155241 + 13.7329137229292 split increased to 2 itime 597244 itsplit 1 - acceleration/energy drift too large 5.58771635661948 - 13.4983520798147 split increased to 2 itime 538072 + acceleration/energy drift too large 5.71623168104527 + 16.0112454773388 split increased to 2 itime 599314 itsplit 1 - acceleration/energy drift too large 5.67939528348656 - 14.7626563059495 split increased to 2 itime 538922 +Velocities reset to random values, time 119999.80 + REMD synchro at 600000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 213.839843750000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.33333 12 +ACC 2 260.00000 0.33333 12 +ACC 3 270.00000 0.08333 12 +ACC 4 280.00000 0.75862 29 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 1.96378919303669 + 11.6381826031193 split increased to 2 itime 600761 itsplit 1 - acceleration/energy drift too large 3.67716290810597 - 10.4469947285147 split increased to 2 itime 539096 + acceleration/energy drift too large 9.57942729717024 + 37.8370811718215 split increased to 2 itime 600765 itsplit 1 -Velocities reset to random values, time 107999.80 - acceleration/energy drift too large 5.98249217089775 - 16.2681936870645 split increased to 2 itime 540086 + acceleration/energy drift too large 4.80056596664212 + 15.9055140418011 split increased to 2 itime 601198 itsplit 1 - acceleration/energy drift too large 4.77919757657508 - 20.8551686810403 split increased to 2 itime 540115 + acceleration/energy drift too large 2.66786950855939 + 15.8176033042936 split increased to 2 itime 601486 itsplit 1 - acceleration/energy drift too large 2.32227318681514 - 10.7568571871876 split increased to 2 itime 540346 + acceleration/energy drift too large 5.91833002634705 + 14.8832157129661 split increased to 2 itime 606034 itsplit 1 - acceleration/energy drift too large 9.07865693339212 - 43.1400048375336 split increased to 2 itime 540569 + acceleration/energy drift too large 4.63615688571700 + 13.9048896889697 split increased to 2 itime 606387 itsplit 1 - acceleration/energy drift too large 4.47200704294252 - 12.6234219067852 split increased to 2 itime 540607 + acceleration/energy drift too large 10.4619543478080 + 45.8577417607386 split increased to 2 itime 606456 itsplit 1 - acceleration/energy drift too large 6.28151566451018 - 28.0760975183786 split increased to 2 itime 541808 + acceleration/energy drift too large 4.43183574452229 + 20.5195686416413 split increased to 2 itime 606592 itsplit 1 - acceleration/energy drift too large 5.24540037412473 - 17.8347197786324 split increased to 2 itime 541812 + acceleration/energy drift too large 7.70234298749965 + 24.5429432694940 split increased to 2 itime 607971 itsplit 1 - acceleration/energy drift too large 2.96884080837995 - 18.6125200481597 split increased to 2 itime 542954 + acceleration/energy drift too large 3.00083389648853 + 19.7308431827365 split increased to 2 itime 608614 itsplit 1 - acceleration/energy drift too large 3.55964969473170 - 10.6880795424455 split increased to 2 itime 543072 +Velocities reset to random values, time 121999.80 + acceleration/energy drift too large 7.92560584050899 + 27.8951139858107 split increased to 2 itime 614550 itsplit 1 - acceleration/energy drift too large 7.22762546435958 - 19.5068981460213 split increased to 2 itime 544650 + acceleration/energy drift too large 4.14019080726154 + 11.9886015179904 split increased to 2 itime 614706 itsplit 1 - acceleration/energy drift too large 4.73231833786203 - 11.3983392091166 split increased to 2 itime 546478 + acceleration/energy drift too large 6.31170204612663 + 28.0307452516115 split increased to 2 itime 614866 itsplit 1 - acceleration/energy drift too large 7.18463896191423 - 22.9634768465345 split increased to 2 itime 548340 + acceleration/energy drift too large 10.7830850983067 + 64.9829245310915 split increased to 2 itime 619420 itsplit 1 - acceleration/energy drift too large 8.32539664982766 - 31.3709421649855 split increased to 2 itime 548949 + acceleration/energy drift too large 2.37037691635026 + 13.3662858363982 split increased to 4 itime 619420 + itsplit 2 +Velocities reset to random values, time 123999.80 + acceleration/energy drift too large 4.01600402099820 + 10.8969504974299 split increased to 2 itime 622508 itsplit 1 -Velocities reset to random values, time 109999.80 - acceleration/energy drift too large 2.26466889492993 - 14.7346518116248 split increased to 2 itime 550130 + acceleration/energy drift too large 4.58251383978812 + 14.7650481326685 split increased to 2 itime 622963 itsplit 1 - acceleration/energy drift too large 2.17718572580954 - 10.7152320023957 split increased to 2 itime 550305 + acceleration/energy drift too large 3.74725293714702 + 11.6740575364923 split increased to 2 itime 625306 itsplit 1 - acceleration/energy drift too large 5.66823796957432 - 24.1623378667029 split increased to 2 itime 552142 + acceleration/energy drift too large 6.93224679507207 + 18.5574853574190 split increased to 2 itime 627367 itsplit 1 - acceleration/energy drift too large 4.72338143136115 - 18.0162489470414 split increased to 2 itime 555455 + acceleration/energy drift too large 2.42912033761586 + 13.2542555132774 split increased to 2 itime 627833 itsplit 1 - acceleration/energy drift too large 1.21814115993528 - 10.6557817486501 split increased to 2 itime 555456 + acceleration/energy drift too large 4.92360671121761 + 14.5738650965458 split increased to 2 itime 628028 itsplit 1 - acceleration/energy drift too large 4.71873874217820 - 12.3045997542898 split increased to 2 itime 556735 +Velocities reset to random values, time 125999.80 + acceleration/energy drift too large 6.40377841558155 + 19.9696019130411 split increased to 2 itime 630358 itsplit 1 - acceleration/energy drift too large 2.81864181280901 - 10.7578415287717 split increased to 2 itime 557254 + acceleration/energy drift too large 1.78032985920441 + 12.6867762578165 split increased to 2 itime 630517 itsplit 1 - acceleration/energy drift too large 5.38880875585498 - 10.9436705870048 split increased to 2 itime 558322 + acceleration/energy drift too large 2.41539021362087 + 13.6648450942296 split increased to 2 itime 632333 itsplit 1 - acceleration/energy drift too large 5.25018694787945 - 16.1244969217503 split increased to 2 itime 558825 + acceleration/energy drift too large 4.33494161819931 + 10.3505501054893 split increased to 2 itime 632649 itsplit 1 - acceleration/energy drift too large 3.51199583606620 - 22.0186433413395 split increased to 2 itime 559533 + acceleration/energy drift too large 9.27560026378491 + 38.9755858920106 split increased to 2 itime 634988 itsplit 1 -Velocities reset to random values, time 111999.80 - acceleration/energy drift too large 4.77525032659885 - 17.3570393117425 split increased to 2 itime 560152 + acceleration/energy drift too large 4.68737615210203 + 12.9674509177316 split increased to 2 itime 636078 itsplit 1 - acceleration/energy drift too large 4.52364989727569 - 25.7705556381578 split increased to 2 itime 560454 + acceleration/energy drift too large 3.55737395999643 + 10.7953743791962 split increased to 2 itime 636137 itsplit 1 - acceleration/energy drift too large 3.82043543989368 - 32.6071138534380 split increased to 2 itime 560856 + acceleration/energy drift too large 5.62620927863390 + 18.3434316583332 split increased to 2 itime 638073 itsplit 1 - acceleration/energy drift too large 7.07007806179116 - 34.6319487991988 split increased to 2 itime 560882 + acceleration/energy drift too large 2.70532224906033 + 10.1798567552104 split increased to 2 itime 638425 itsplit 1 - acceleration/energy drift too large 5.07201300847438 - 11.5321401734334 split increased to 2 itime 560972 +Velocities reset to random values, time 127999.80 + acceleration/energy drift too large 8.66021355973768 + 33.4625463389495 split increased to 2 itime 643266 itsplit 1 - acceleration/energy drift too large 9.41746917352430 - 42.4261388221302 split increased to 2 itime 561044 + acceleration/energy drift too large 3.39945384602488 + 10.1003781734592 split increased to 2 itime 645676 itsplit 1 - acceleration/energy drift too large 2.45719993108579 - 18.2177606644448 split increased to 2 itime 561045 + acceleration/energy drift too large 6.07987264298656 + 16.0331223707494 split increased to 2 itime 648674 itsplit 1 - acceleration/energy drift too large 4.11245820046070 - 15.0806991924647 split increased to 2 itime 562198 + acceleration/energy drift too large 5.63427270705266 + 11.3908880785043 split increased to 2 itime 649996 itsplit 1 - acceleration/energy drift too large 4.38648055271156 - 17.9415976419972 split increased to 2 itime 562861 +Velocities reset to random values, time 129999.80 + acceleration/energy drift too large 5.28591416491993 + 14.8996153707178 split increased to 2 itime 650969 itsplit 1 - acceleration/energy drift too large 4.56956996152755 - 12.8363047721838 split increased to 2 itime 563277 + acceleration/energy drift too large 1.93739618559575 + 13.2597029898814 split increased to 2 itime 652347 itsplit 1 - acceleration/energy drift too large 5.68343818585799 - 13.7260979365542 split increased to 2 itime 563331 + acceleration/energy drift too large 4.59884008304321 + 11.3908712500636 split increased to 2 itime 653663 itsplit 1 - acceleration/energy drift too large 4.53254443278119 - 16.2112364416784 split increased to 2 itime 564928 + acceleration/energy drift too large 7.73736964716356 + 38.1817814114604 split increased to 2 itime 654943 itsplit 1 - acceleration/energy drift too large 4.65429783387595 - 19.7944729571123 split increased to 2 itime 565795 + acceleration/energy drift too large 3.80257229177762 + 10.8689564084771 split increased to 2 itime 655322 itsplit 1 - acceleration/energy drift too large 5.39440195026612 - 28.4885176569247 split increased to 2 itime 566161 + acceleration/energy drift too large 2.75296840340959 + 15.1677778041949 split increased to 2 itime 655479 itsplit 1 - acceleration/energy drift too large 10.6183688712963 - 43.2355563358334 split increased to 2 itime 566444 + acceleration/energy drift too large 2.28114676486544 + 12.3679343079403 split increased to 2 itime 656136 itsplit 1 - acceleration/energy drift too large 5.08037841573996 - 13.3624995456930 split increased to 2 itime 567423 + acceleration/energy drift too large 13.2702714986262 + 94.4718674617195 split increased to 2 itime 659203 itsplit 1 - acceleration/energy drift too large 3.45423612561341 - 23.1607365253115 split increased to 2 itime 567900 + acceleration/energy drift too large 2.68290913966884 + 16.7126918739845 split increased to 4 itime 659203 + itsplit 2 +Velocities reset to random values, time 131999.80 + acceleration/energy drift too large 6.06578230130721 + 27.0237677678295 split increased to 2 itime 660233 itsplit 1 - acceleration/energy drift too large 3.67477965825423 - 16.4053479040359 split increased to 2 itime 567961 + acceleration/energy drift too large 2.31554180817383 + 10.7574763284033 split increased to 2 itime 660234 itsplit 1 - acceleration/energy drift too large 6.92070055837482 - 13.1209837779539 split increased to 2 itime 568164 + acceleration/energy drift too large 6.03348036298339 + 26.1470318527420 split increased to 2 itime 660977 itsplit 1 - acceleration/energy drift too large 1.99306230078888 - 11.1972243208649 split increased to 2 itime 568857 + acceleration/energy drift too large 7.29388663794550 + 13.9689873535169 split increased to 2 itime 661387 itsplit 1 - acceleration/energy drift too large 2.60812848850784 - 11.0977367348434 split increased to 2 itime 569587 + acceleration/energy drift too large 5.47965546509220 + 19.0759554731623 split increased to 2 itime 661437 itsplit 1 -Velocities reset to random values, time 113999.80 - acceleration/energy drift too large 6.28172894596124 - 11.2712082102487 split increased to 2 itime 570005 + acceleration/energy drift too large 4.78332067268369 + 10.2488858937025 split increased to 2 itime 661679 itsplit 1 - acceleration/energy drift too large 4.13233596187048 - 19.1027698226643 split increased to 2 itime 572060 + acceleration/energy drift too large 3.89474817707026 + 15.1824916243999 split increased to 2 itime 664856 itsplit 1 - acceleration/energy drift too large 5.07142743836596 - 10.0105242034786 split increased to 2 itime 576537 + acceleration/energy drift too large 4.82757475037370 + 12.7125117757823 split increased to 2 itime 665004 itsplit 1 - acceleration/energy drift too large 4.78234998724306 - 28.3637842214095 split increased to 2 itime 576766 + acceleration/energy drift too large 2.82117842725993 + 18.1699787400113 split increased to 2 itime 665785 itsplit 1 - acceleration/energy drift too large 7.85647226617631 - 33.9096284304355 split increased to 2 itime 577827 + acceleration/energy drift too large 5.16137015645680 + 13.0204329074062 split increased to 2 itime 666283 itsplit 1 - acceleration/energy drift too large 12.1547666968091 - 61.5552743439312 split increased to 2 itime 578165 + acceleration/energy drift too large 4.99215297416012 + 12.3362969715448 split increased to 2 itime 668228 itsplit 1 - acceleration/energy drift too large 5.60545467241018 - 12.8911474229217 split increased to 2 itime 578294 + acceleration/energy drift too large 5.13892389515551 + 20.8912491510906 split increased to 2 itime 668761 itsplit 1 - acceleration/energy drift too large 5.28724211735095 - 15.0235032714999 split increased to 2 itime 579476 +Velocities reset to random values, time 133999.80 + acceleration/energy drift too large 10.1675982071226 + 48.0489203572038 split increased to 2 itime 673776 itsplit 1 -Velocities reset to random values, time 115999.80 - acceleration/energy drift too large 4.92922965632018 - 11.8603665701726 split increased to 2 itime 580181 + acceleration/energy drift too large 2.56413703402463 + 11.9279952603223 split increased to 4 itime 673776 + itsplit 2 + acceleration/energy drift too large 2.35252059131755 + 11.6043725097785 split increased to 2 itime 674420 itsplit 1 - acceleration/energy drift too large 4.46550576324055 - 21.4281685054746 split increased to 2 itime 580330 + acceleration/energy drift too large 5.65115286886535 + 19.4541949955113 split increased to 2 itime 674921 itsplit 1 - acceleration/energy drift too large 9.76432722024679 - 41.8692898231217 split increased to 2 itime 583975 + acceleration/energy drift too large 1.09845813933182 + 13.0131613543532 split increased to 2 itime 674922 itsplit 1 - acceleration/energy drift too large 6.13619205016591 - 23.5295855051616 split increased to 2 itime 584053 + acceleration/energy drift too large 6.32171360573966 + 25.9064175564087 split increased to 2 itime 675454 itsplit 1 - acceleration/energy drift too large 5.18273644482176 - 10.5043036926326 split increased to 2 itime 584058 + acceleration/energy drift too large 1.70489549834997 + 11.0197096618008 split increased to 2 itime 675572 itsplit 1 - acceleration/energy drift too large 5.93598969960208 - 27.4274710032168 split increased to 2 itime 584505 + acceleration/energy drift too large 7.39736251582639 + 21.9962513531081 split increased to 2 itime 677088 itsplit 1 - acceleration/energy drift too large 5.53944690650803 - 23.2831330385874 split increased to 2 itime 585031 +Velocities reset to random values, time 135999.80 + acceleration/energy drift too large 8.44053192464875 + 34.0966454555823 split increased to 2 itime 680381 itsplit 1 - acceleration/energy drift too large 4.93526147090713 - 28.6609024456121 split increased to 2 itime 585720 + acceleration/energy drift too large 4.51300263330278 + 12.1894462932551 split increased to 2 itime 681863 itsplit 1 - acceleration/energy drift too large 7.49020620161100 - 11.1566603817866 split increased to 2 itime 586060 + acceleration/energy drift too large 7.78394988890317 + 33.1251060582066 split increased to 2 itime 686687 itsplit 1 - acceleration/energy drift too large 8.51949685575566 - 23.9195135922850 split increased to 2 itime 586207 +Velocities reset to random values, time 137999.80 + acceleration/energy drift too large 5.93949444611198 + 14.3704046236860 split increased to 2 itime 690346 itsplit 1 - acceleration/energy drift too large 6.72631274834742 - 18.0245772265330 split increased to 2 itime 586255 + acceleration/energy drift too large 4.95126951476788 + 24.0101574219630 split increased to 2 itime 690838 itsplit 1 - acceleration/energy drift too large 10.9772059466190 - 52.3850210891664 split increased to 2 itime 586271 + acceleration/energy drift too large 3.85808667025802 + 20.9555336135464 split increased to 2 itime 690839 itsplit 1 - acceleration/energy drift too large 3.48170788648421 - 21.2732599466495 split increased to 2 itime 588402 + acceleration/energy drift too large 3.77847650311979 + 13.2954747858500 split increased to 2 itime 691507 itsplit 1 - acceleration/energy drift too large 4.66058414765870 - 25.6568673378139 split increased to 2 itime 589444 + acceleration/energy drift too large 5.97315285725781 + 19.1646427919301 split increased to 2 itime 693063 itsplit 1 - acceleration/energy drift too large 5.89327729894395 - 12.2381292016813 split increased to 2 itime 589560 + acceleration/energy drift too large 6.46438632176381 + 25.4736114112006 split increased to 2 itime 693226 itsplit 1 -Velocities reset to random values, time 117999.80 - acceleration/energy drift too large 3.00030800947840 - 18.9623731678106 split increased to 2 itime 591034 + acceleration/energy drift too large 3.38778395216772 + 14.0283417870505 split increased to 2 itime 693564 itsplit 1 - acceleration/energy drift too large 4.70606209721646 - 15.4517098276840 split increased to 2 itime 591331 + acceleration/energy drift too large 9.81354502036804 + 42.0736665316571 split increased to 2 itime 693689 itsplit 1 - acceleration/energy drift too large 3.27422476910192 - 12.9785460637501 split increased to 2 itime 591332 + acceleration/energy drift too large 6.24095210300483 + 15.0794400114372 split increased to 2 itime 694167 itsplit 1 - acceleration/energy drift too large 5.31096362913954 - 11.8983323477478 split increased to 2 itime 591978 + acceleration/energy drift too large 3.19329034961771 + 11.3137752538518 split increased to 2 itime 694969 itsplit 1 - acceleration/energy drift too large 4.80816018632338 - 22.8806385435214 split increased to 2 itime 593075 + acceleration/energy drift too large 3.45920055620734 + 24.4507284791580 split increased to 2 itime 695954 itsplit 1 - acceleration/energy drift too large 4.94943194016466 - 28.8570977704755 split increased to 2 itime 598368 + acceleration/energy drift too large 6.37850586519598 + 21.6697751936551 split increased to 2 itime 696069 itsplit 1 - acceleration/energy drift too large 4.84183126113497 - 25.7807680143686 split increased to 2 itime 598458 + acceleration/energy drift too large 4.32128687563604 + 12.7388263227708 split increased to 2 itime 697684 itsplit 1 - acceleration/energy drift too large 7.74343932153576 - 24.0554717752143 split increased to 2 itime 599415 + acceleration/energy drift too large 5.36090074982323 + 17.8182512992673 split increased to 2 itime 698445 itsplit 1 - acceleration/energy drift too large 5.97341098091524 - 48.7993556690080 split increased to 2 itime 599443 + acceleration/energy drift too large 3.08523350089059 + 10.1042945459729 split increased to 2 itime 699541 itsplit 1 - acceleration/energy drift too large 1.37476309967977 - 10.2693332351367 split increased to 4 itime 599443 - itsplit 2 -Velocities reset to random values, time 119999.80 - REMD synchro at 600000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 +Velocities reset to random values, time 139999.80 + REMD synchro at 700000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 248.367187500000 0.000000000000000E+000 + REMD gather times= 249.519531250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.41667 12 -ACC 2 260.00000 0.16667 12 -ACC 3 270.00000 0.66667 12 -ACC 4 280.00000 0.75000 12 -ACC 5 290.00000 0.66667 12 -ACC 6 300.00000 0.83333 12 -ACC 7 310.00000 0.66667 12 -ACC 8 320.00000 0.50000 12 -ACC 9 330.00000 0.75000 12 -ACC 10 340.00000 0.58333 12 -ACC 11 350.00000 0.83333 12 -ACC 12 360.00000 0.83333 12 -ACC 13 370.00000 0.66667 12 -ACC 14 380.00000 1.00000 12 -ACC 15 390.00000 0.91667 12 +ACC 1 250.00000 0.35714 14 +ACC 2 260.00000 0.35714 14 +ACC 3 270.00000 0.07143 14 +ACC 4 280.00000 0.72727 33 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 6.25754695601952 - 16.0138492056977 split increased to 2 itime 600975 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 8.71712155062556 + 33.5072667815886 split increased to 2 itime 705414 itsplit 1 - acceleration/energy drift too large 3.25174991181445 - 12.0550990148146 split increased to 2 itime 600992 + acceleration/energy drift too large 5.61962906832314 + 13.2457651744474 split increased to 2 itime 708632 itsplit 1 - acceleration/energy drift too large 12.3319863554273 - 71.6417017996117 split increased to 2 itime 601216 +Velocities reset to random values, time 141999.80 + acceleration/energy drift too large 6.44585386562821 + 38.6413323157742 split increased to 2 itime 710178 itsplit 1 - acceleration/energy drift too large 6.25151631607253 - 21.8765548204327 split increased to 2 itime 602298 + acceleration/energy drift too large 5.87499260957238 + 27.5599658060526 split increased to 2 itime 711406 itsplit 1 - acceleration/energy drift too large 8.63609835663977 - 36.3026138271237 split increased to 2 itime 603041 + acceleration/energy drift too large 9.11193289071173 + 40.0736789522565 split increased to 2 itime 711709 itsplit 1 - acceleration/energy drift too large 8.60251448226929 - 34.3979732941485 split increased to 2 itime 603163 + acceleration/energy drift too large 2.59211141320019 + 13.1320275929318 split increased to 2 itime 713100 itsplit 1 - acceleration/energy drift too large 4.95134287218677 - 14.7499243340670 split increased to 2 itime 604436 + acceleration/energy drift too large 2.74515403067154 + 10.8153389072186 split increased to 2 itime 713530 itsplit 1 - acceleration/energy drift too large 2.28267096421602 - 13.7541501907709 split increased to 2 itime 604998 + acceleration/energy drift too large 3.50999948083756 + 10.0830836246995 split increased to 2 itime 714341 itsplit 1 - acceleration/energy drift too large 7.83944263263716 - 28.0577344302289 split increased to 2 itime 605000 + acceleration/energy drift too large 5.70218059971810 + 12.6039094490348 split increased to 2 itime 714387 itsplit 1 - acceleration/energy drift too large 6.62004344972939 - 50.7128989712119 split increased to 2 itime 605202 + acceleration/energy drift too large 5.84555029402403 + 39.7374575916010 split increased to 2 itime 714915 itsplit 1 - acceleration/energy drift too large 1.66239150994189 - 12.2246505708942 split increased to 4 itime 605202 - itsplit 2 - acceleration/energy drift too large 4.46922322511910 - 26.4172622085791 split increased to 2 itime 605903 +Velocities reset to random values, time 143999.80 + acceleration/energy drift too large 11.7721173415737 + 61.8532622946670 split increased to 2 itime 720375 itsplit 1 - acceleration/energy drift too large 3.56815604225865 - 34.7819824336585 split increased to 2 itime 605907 + acceleration/energy drift too large 3.70274110107479 + 21.9857487962291 split increased to 2 itime 722176 itsplit 1 - acceleration/energy drift too large 4.34038675391365 - 22.9625423136930 split increased to 2 itime 605908 + acceleration/energy drift too large 6.26956204105007 + 18.1888778825175 split increased to 2 itime 722412 itsplit 1 - acceleration/energy drift too large 5.12439612206967 - 12.8560558237277 split increased to 2 itime 605983 + acceleration/energy drift too large 3.83337534381826 + 16.1663806086950 split increased to 2 itime 722434 itsplit 1 - acceleration/energy drift too large 10.2070435174598 - 53.0745108984771 split increased to 2 itime 606191 + acceleration/energy drift too large 2.67514962704550 + 12.1138854183229 split increased to 2 itime 722645 itsplit 1 - acceleration/energy drift too large 2.49345997190288 - 12.9109411539299 split increased to 4 itime 606191 - itsplit 2 - acceleration/energy drift too large 3.57573247638144 - 13.3291307634903 split increased to 2 itime 606440 + acceleration/energy drift too large 3.26167804903766 + 15.9652226001032 split increased to 2 itime 725084 itsplit 1 - acceleration/energy drift too large 4.25532031284735 - 11.7143305137870 split increased to 2 itime 607540 + acceleration/energy drift too large 2.69902770844230 + 10.2317190459437 split increased to 2 itime 726352 itsplit 1 - acceleration/energy drift too large 4.76461993962858 - 28.5691397689605 split increased to 2 itime 607562 + acceleration/energy drift too large 2.38106510395763 + 12.0097362460579 split increased to 2 itime 728124 itsplit 1 - acceleration/energy drift too large 3.85460790591855 - 16.2444585238539 split increased to 2 itime 607590 + acceleration/energy drift too large 4.09097377768023 + 12.2733137023295 split increased to 2 itime 729076 itsplit 1 - acceleration/energy drift too large 3.64765651925315 - 10.7113929610203 split increased to 2 itime 607755 + acceleration/energy drift too large 2.00623181758130 + 11.1813434073448 split increased to 2 itime 729805 itsplit 1 - acceleration/energy drift too large 6.21296939623000 - 30.0296721727243 split increased to 2 itime 608048 + acceleration/energy drift too large 1.81746814142411 + 12.1270189782978 split increased to 2 itime 729927 itsplit 1 - acceleration/energy drift too large 2.48037796460787 - 11.7610928969634 split increased to 2 itime 608086 +Velocities reset to random values, time 145999.80 + acceleration/energy drift too large 6.30171898653417 + 26.9332205320552 split increased to 2 itime 730448 itsplit 1 - acceleration/energy drift too large 2.78709775318731 - 10.4327571196836 split increased to 2 itime 608221 + acceleration/energy drift too large 4.09789844919381 + 12.0417552342048 split increased to 2 itime 731145 itsplit 1 - acceleration/energy drift too large 4.28793301306952 - 13.2853518882747 split increased to 2 itime 608480 + acceleration/energy drift too large 2.73308834492697 + 16.2661868478427 split increased to 2 itime 731362 itsplit 1 - acceleration/energy drift too large 7.34175924172900 - 23.8992907548958 split increased to 2 itime 609591 + acceleration/energy drift too large 9.27944111411627 + 46.3391757629225 split increased to 2 itime 732256 itsplit 1 - acceleration/energy drift too large 2.35604254849620 - 13.6989367907869 split increased to 2 itime 609804 + acceleration/energy drift too large 1.94236498933447 + 12.4101487281980 split increased to 2 itime 732257 itsplit 1 -Velocities reset to random values, time 121999.80 - acceleration/energy drift too large 2.23073242682005 - 13.2884722954553 split increased to 2 itime 610143 + acceleration/energy drift too large 5.50306040868782 + 17.9944901353772 split increased to 2 itime 732581 itsplit 1 - acceleration/energy drift too large 4.60247782431103 - 15.1902279665381 split increased to 2 itime 611002 + acceleration/energy drift too large 2.70798748275415 + 16.5384327302314 split increased to 2 itime 732760 itsplit 1 - acceleration/energy drift too large 1.89120048049976 - 12.6818570236140 split increased to 2 itime 611003 + acceleration/energy drift too large 5.20603024460984 + 14.8024244230431 split increased to 2 itime 735555 itsplit 1 - acceleration/energy drift too large 3.73325672849185 - 22.3064888639184 split increased to 2 itime 611807 +Velocities reset to random values, time 147999.80 + acceleration/energy drift too large 4.51935684389718 + 11.2060039808851 split increased to 2 itime 746862 itsplit 1 - acceleration/energy drift too large 8.35585347043471 - 34.7076259246126 split increased to 2 itime 612000 + acceleration/energy drift too large 7.57723771632449 + 27.5655099497784 split increased to 2 itime 747831 itsplit 1 - acceleration/energy drift too large 1.38971879403589 - 11.7651402071369 split increased to 2 itime 612001 + acceleration/energy drift too large 6.70692765878672 + 20.1428183704622 split increased to 2 itime 749480 itsplit 1 - acceleration/energy drift too large 2.78978626180830 - 19.3385754660593 split increased to 2 itime 612857 +Velocities reset to random values, time 149999.80 + acceleration/energy drift too large 2.95871265869162 + 19.6753677498138 split increased to 2 itime 752117 itsplit 1 - acceleration/energy drift too large 10.5728475675563 - 54.8655375689583 split increased to 2 itime 613125 + acceleration/energy drift too large 10.0761219189002 + 49.4993481507667 split increased to 2 itime 753329 itsplit 1 - acceleration/energy drift too large 5.78335799316959 - 15.2599184361043 split increased to 2 itime 613661 + acceleration/energy drift too large 4.68108098859650 + 23.2541412083268 split increased to 2 itime 753335 itsplit 1 - acceleration/energy drift too large 6.81465661008858 - 17.2129199407860 split increased to 2 itime 614402 + acceleration/energy drift too large 7.82483812264385 + 26.6090083172844 split increased to 2 itime 755256 itsplit 1 - acceleration/energy drift too large 6.45535852359543 - 12.4561185889454 split increased to 2 itime 614448 + acceleration/energy drift too large 6.30043786410311 + 25.8970084708371 split increased to 2 itime 755471 itsplit 1 - acceleration/energy drift too large 4.29347696641623 - 12.6176394806597 split increased to 2 itime 614525 + acceleration/energy drift too large 4.81037887981775 + 10.8554679887815 split increased to 2 itime 755613 itsplit 1 - acceleration/energy drift too large 5.85673512317867 - 12.3331535839340 split increased to 2 itime 615027 + acceleration/energy drift too large 5.95694658496908 + 15.1630153272357 split increased to 2 itime 758237 itsplit 1 - acceleration/energy drift too large 9.37493821680777 - 18.2143744448797 split increased to 2 itime 615028 + acceleration/energy drift too large 4.30210782789837 + 12.6008300192189 split increased to 2 itime 758456 itsplit 1 - acceleration/energy drift too large 10.3102338783809 - 53.7544533773782 split increased to 2 itime 615037 + acceleration/energy drift too large 5.09699013416595 + 12.6372021157292 split increased to 2 itime 758906 itsplit 1 - acceleration/energy drift too large 9.16679508179453 - 39.2153933201181 split increased to 2 itime 615795 + acceleration/energy drift too large 4.95511357209333 + 19.8205842668419 split increased to 2 itime 759379 itsplit 1 - acceleration/energy drift too large 3.78382215052233 - 31.9648666740243 split increased to 2 itime 616217 + acceleration/energy drift too large 1.44703519904851 + 12.2631942864162 split increased to 2 itime 759380 itsplit 1 - acceleration/energy drift too large 15.4752934626938 - 69.3784821315056 split increased to 2 itime 617539 +Velocities reset to random values, time 151999.80 + acceleration/energy drift too large 3.86804444739608 + 13.2881999627374 split increased to 2 itime 760540 itsplit 1 - acceleration/energy drift too large 3.16679187772658 - 10.8469354081524 split increased to 2 itime 617795 + acceleration/energy drift too large 3.93152273863088 + 11.1882483230881 split increased to 2 itime 760590 itsplit 1 - acceleration/energy drift too large 4.26131033939983 - 19.5691117336311 split increased to 2 itime 617938 + acceleration/energy drift too large 4.32853759670472 + 10.9617936057278 split increased to 2 itime 760876 itsplit 1 - acceleration/energy drift too large 6.27560260663197 - 10.5131592949516 split increased to 2 itime 618323 + acceleration/energy drift too large 8.98124740107984 + 33.0041095210235 split increased to 2 itime 761256 itsplit 1 - acceleration/energy drift too large 5.74578890944388 - 22.3583387751031 split increased to 2 itime 618521 + acceleration/energy drift too large 6.47115509271955 + 28.9900994753856 split increased to 2 itime 761762 itsplit 1 - acceleration/energy drift too large 7.00726666413875 - 24.1058400897520 split increased to 2 itime 618596 + acceleration/energy drift too large 7.42242698149734 + 25.9057091698444 split increased to 2 itime 763038 itsplit 1 - acceleration/energy drift too large 17.7138168462027 - 101.247922258645 split increased to 2 itime 618668 + acceleration/energy drift too large 4.54022908914888 + 12.1102826558000 split increased to 2 itime 763134 itsplit 1 - acceleration/energy drift too large 4.55320871021421 - 26.9304761145780 split increased to 4 itime 618668 - itsplit 2 - acceleration/energy drift too large 3.61468688004105 - 12.2901039955406 split increased to 2 itime 619019 + acceleration/energy drift too large 10.3421119805922 + 54.2807901391931 split increased to 2 itime 764218 itsplit 1 - acceleration/energy drift too large 11.8535324647124 - 67.9230414874380 split increased to 2 itime 619052 + acceleration/energy drift too large 6.23713027726598 + 20.1092406564759 split increased to 2 itime 766353 itsplit 1 - acceleration/energy drift too large 2.82890558233372 - 16.0632128021099 split increased to 4 itime 619052 - itsplit 2 - acceleration/energy drift too large 5.24726174362651 - 19.3357497549723 split increased to 2 itime 619445 + acceleration/energy drift too large 5.98697107122912 + 25.5299170773581 split increased to 2 itime 766998 itsplit 1 - acceleration/energy drift too large 7.40759773403780 - 16.1497113697539 split increased to 2 itime 619940 + acceleration/energy drift too large 7.46756174010912 + 24.2131948282495 split increased to 2 itime 769359 itsplit 1 -Velocities reset to random values, time 123999.80 - acceleration/energy drift too large 4.61281068663170 - 13.3610025264939 split increased to 2 itime 620002 + acceleration/energy drift too large 5.80770424804647 + 15.7271064834330 split increased to 2 itime 769535 itsplit 1 - acceleration/energy drift too large 7.34373576827458 - 14.8394865742088 split increased to 2 itime 620586 +Velocities reset to random values, time 153999.80 + acceleration/energy drift too large 3.77980028408596 + 16.3210699451899 split increased to 2 itime 770383 + itsplit 1 + acceleration/energy drift too large 5.40141839583742 + 14.7181677295055 split increased to 2 itime 771003 itsplit 1 - acceleration/energy drift too large 2.71735752984788 - 25.0945308135358 split increased to 2 itime 621783 + acceleration/energy drift too large 5.77936597013653 + 15.2383364672246 split increased to 2 itime 773845 itsplit 1 - acceleration/energy drift too large 2.58777998840925 - 11.4619099291705 split increased to 2 itime 622120 + acceleration/energy drift too large 2.73291905596801 + 11.9577963816351 split increased to 2 itime 778857 itsplit 1 - acceleration/energy drift too large 6.55602809534122 - 34.2219751637132 split increased to 2 itime 622167 +Velocities reset to random values, time 155999.80 + acceleration/energy drift too large 11.7640147461158 + 62.2040647539116 split increased to 2 itime 780483 itsplit 1 - acceleration/energy drift too large 5.04860873994601 - 16.8609309840067 split increased to 2 itime 623443 + acceleration/energy drift too large 4.96581771860312 + 11.1091968067813 split increased to 2 itime 787610 itsplit 1 - acceleration/energy drift too large 10.0064370227291 - 45.2458059724488 split increased to 2 itime 623680 +Velocities reset to random values, time 157999.80 + acceleration/energy drift too large 2.56709627090463 + 13.1676750619354 split increased to 2 itime 795440 itsplit 1 - acceleration/energy drift too large 2.15901251155502 - 10.6571525717496 split increased to 2 itime 623791 + acceleration/energy drift too large 6.24999496939122 + 19.4944290191357 split increased to 2 itime 796413 itsplit 1 - acceleration/energy drift too large 4.27762630948463 - 14.5709551524407 split increased to 2 itime 623793 + acceleration/energy drift too large 2.46803050969701 + 10.6672184459973 split increased to 2 itime 796669 itsplit 1 - acceleration/energy drift too large 4.58889291725837 - 14.2957309506940 split increased to 2 itime 623970 + acceleration/energy drift too large 5.65438322951697 + 20.1889331273561 split increased to 2 itime 797737 itsplit 1 - acceleration/energy drift too large 5.26103380848589 - 10.6162014271031 split increased to 2 itime 624188 + acceleration/energy drift too large 7.21842618244476 + 16.2493068405891 split increased to 2 itime 798946 itsplit 1 - acceleration/energy drift too large 2.92413424083488 - 14.6043235682637 split increased to 2 itime 625715 +Velocities reset to random values, time 159999.80 + REMD synchro at 800000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 285.757812500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.31250 16 +ACC 2 260.00000 0.31250 16 +ACC 3 270.00000 0.06250 16 +ACC 4 280.00000 0.74359 39 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 2.17539362802573 + 12.5512201940332 split increased to 2 itime 800073 itsplit 1 - acceleration/energy drift too large 5.05806167116464 - 18.2217928754235 split increased to 2 itime 625990 + acceleration/energy drift too large 8.43898716212119 + 16.0771808267397 split increased to 2 itime 800258 itsplit 1 - acceleration/energy drift too large 4.98250238317497 - 11.7229564869578 split increased to 2 itime 626303 + acceleration/energy drift too large 4.76570378714015 + 16.1423908929987 split increased to 2 itime 803728 itsplit 1 - acceleration/energy drift too large 4.74658966537367 - 10.9677800534330 split increased to 2 itime 627881 + acceleration/energy drift too large 4.74616783083488 + 16.6418700693617 split increased to 2 itime 804198 itsplit 1 - acceleration/energy drift too large 8.68585246123989 - 22.4625026217366 split increased to 2 itime 628038 + acceleration/energy drift too large 6.79030300544150 + 23.9206393800696 split increased to 2 itime 805130 itsplit 1 - acceleration/energy drift too large 6.13159924740396 - 15.5249058036236 split increased to 2 itime 628482 + acceleration/energy drift too large 4.62432379739605 + 15.0426138899308 split increased to 2 itime 806760 itsplit 1 - acceleration/energy drift too large 15.5992483537993 - 77.7324895343476 split increased to 2 itime 628669 + acceleration/energy drift too large 10.6068957378003 + 24.6820243095101 split increased to 2 itime 806987 itsplit 1 - acceleration/energy drift too large 8.26938046478706 - 31.0927882180708 split increased to 2 itime 628767 + acceleration/energy drift too large 4.83576006191019 + 14.3066070908599 split increased to 2 itime 808998 itsplit 1 - acceleration/energy drift too large 4.50418472045375 - 23.4801428375969 split increased to 2 itime 629607 +Velocities reset to random values, time 161999.80 + acceleration/energy drift too large 10.8853254657301 + 54.1273329813965 split increased to 2 itime 810971 itsplit 1 - acceleration/energy drift too large 3.41999600473549 - 13.7792186998930 split increased to 2 itime 629715 + acceleration/energy drift too large 4.53936845692511 + 24.3998561385874 split increased to 2 itime 813416 itsplit 1 -Velocities reset to random values, time 125999.80 - acceleration/energy drift too large 5.03449400802504 - 28.7422167096999 split increased to 2 itime 631056 + acceleration/energy drift too large 2.00146474765907 + 12.9181144375591 split increased to 2 itime 813499 itsplit 1 - acceleration/energy drift too large 5.57155139157944 - 21.9129303963323 split increased to 2 itime 631893 + acceleration/energy drift too large 3.57707350019532 + 24.8682544643142 split increased to 2 itime 816251 itsplit 1 - acceleration/energy drift too large 4.39099602346958 - 12.2343994016366 split increased to 2 itime 632023 + acceleration/energy drift too large 3.44809577831474 + 21.5634110551467 split increased to 2 itime 816534 itsplit 1 - acceleration/energy drift too large 12.4693925353863 - 63.6582093229182 split increased to 2 itime 632121 + acceleration/energy drift too large 10.9543391299600 + 68.4465446068496 split increased to 2 itime 818144 itsplit 1 - acceleration/energy drift too large 4.67203082448706 - 14.2071918329760 split increased to 2 itime 632191 + acceleration/energy drift too large 5.32441351691723 + 12.1120016495625 split increased to 2 itime 819080 itsplit 1 - acceleration/energy drift too large 4.59910855946983 - 21.0772021116032 split increased to 2 itime 632375 +Velocities reset to random values, time 163999.80 + acceleration/energy drift too large 5.39991149265490 + 17.2277947644528 split increased to 2 itime 820063 itsplit 1 - acceleration/energy drift too large 3.22145382098193 - 17.7117307941751 split increased to 2 itime 632509 + acceleration/energy drift too large 1.77314356133966 + 14.9633963711270 split increased to 2 itime 820064 itsplit 1 - acceleration/energy drift too large 3.08755073441423 - 12.7826819184458 split increased to 2 itime 633356 + acceleration/energy drift too large 4.72602817543723 + 10.9256019375356 split increased to 2 itime 820536 itsplit 1 - acceleration/energy drift too large 6.66042233571607 - 26.2620896744813 split increased to 2 itime 633626 + acceleration/energy drift too large 2.58402941216628 + 13.1875737053157 split increased to 2 itime 821962 itsplit 1 - acceleration/energy drift too large 3.97185444107807 - 23.6478393886705 split increased to 2 itime 633903 + acceleration/energy drift too large 2.59316645189961 + 11.8150831444866 split increased to 2 itime 822008 itsplit 1 - acceleration/energy drift too large 5.77241667580570 - 17.1748855819711 split increased to 2 itime 633949 + acceleration/energy drift too large 7.84009241952735 + 24.2658608702363 split increased to 2 itime 822103 itsplit 1 - acceleration/energy drift too large 4.64482397370444 - 19.8304872303560 split increased to 2 itime 634704 + acceleration/energy drift too large 5.40319326930534 + 11.8982735402260 split increased to 2 itime 828348 itsplit 1 - acceleration/energy drift too large 3.68931892751294 - 12.0639327743879 split increased to 2 itime 634809 +Velocities reset to random values, time 165999.80 + acceleration/energy drift too large 6.71875130754419 + 25.2611187087503 split increased to 2 itime 831456 itsplit 1 - acceleration/energy drift too large 14.6035450979379 - 77.5595625943338 split increased to 2 itime 634956 + acceleration/energy drift too large 4.75516614909809 + 10.9424768668879 split increased to 2 itime 834717 itsplit 1 - acceleration/energy drift too large 2.76654006098027 - 12.2562888872987 split increased to 4 itime 634956 - itsplit 2 - acceleration/energy drift too large 10.4973631985309 - 50.4338624550633 split increased to 2 itime 635596 + acceleration/energy drift too large 6.34497564015413 + 13.1115145670315 split increased to 2 itime 835201 itsplit 1 - acceleration/energy drift too large 2.65927462498442 - 13.2725300250988 split increased to 4 itime 635596 - itsplit 2 - acceleration/energy drift too large 16.9345762685632 - 80.3946911566731 split increased to 2 itime 636196 + acceleration/energy drift too large 9.00927314031548 + 40.7609719260337 split increased to 2 itime 839087 itsplit 1 - acceleration/energy drift too large 3.52277443468522 - 14.5400653761354 split increased to 4 itime 636196 - itsplit 2 - acceleration/energy drift too large 9.47748468759106 - 40.4111345876325 split increased to 2 itime 636822 + acceleration/energy drift too large 1.22659978428022 + 12.5016354638147 split increased to 2 itime 839088 itsplit 1 - acceleration/energy drift too large 2.39681730586056 - 10.2977279545475 split increased to 4 itime 636822 - itsplit 2 - acceleration/energy drift too large 6.03028562793473 - 31.2746718014368 split increased to 2 itime 636975 + acceleration/energy drift too large 6.03700234552312 + 30.5646722275483 split increased to 2 itime 839615 itsplit 1 - acceleration/energy drift too large 3.40481718430390 - 22.8278404282965 split increased to 2 itime 638790 +Velocities reset to random values, time 167999.80 + acceleration/energy drift too large 7.10747507063090 + 25.3635534227041 split increased to 2 itime 841100 itsplit 1 - acceleration/energy drift too large 6.73002467562677 - 11.9141295367997 split increased to 2 itime 638987 + acceleration/energy drift too large 8.32288501793419 + 34.6701853060050 split increased to 2 itime 844191 itsplit 1 -Velocities reset to random values, time 127999.80 - acceleration/energy drift too large 3.98175252438783 - 10.2917524815949 split increased to 2 itime 640019 + acceleration/energy drift too large 9.99478444587331 + 48.9481013666828 split increased to 2 itime 845529 itsplit 1 - acceleration/energy drift too large 6.79757148910487 - 13.8348662532623 split increased to 2 itime 640231 + acceleration/energy drift too large 1.55884572897033 + 12.5580476891549 split increased to 2 itime 846633 itsplit 1 - acceleration/energy drift too large 8.00915343075990 - 22.0738465078218 split increased to 2 itime 640277 + acceleration/energy drift too large 6.19247638241802 + 18.6356054457107 split increased to 2 itime 846822 itsplit 1 - acceleration/energy drift too large 3.91266132812530 - 11.9369064925071 split increased to 2 itime 640296 + acceleration/energy drift too large 4.44580831767416 + 13.3168174221503 split increased to 2 itime 848773 itsplit 1 - acceleration/energy drift too large 3.22851326933295 - 10.3607228423339 split increased to 2 itime 640300 +Velocities reset to random values, time 169999.80 + acceleration/energy drift too large 5.12667595074069 + 18.1083848008558 split increased to 2 itime 851129 itsplit 1 - acceleration/energy drift too large 5.73429033103735 - 12.4491087336185 split increased to 2 itime 640471 + acceleration/energy drift too large 5.31495230794195 + 17.2173388901390 split increased to 2 itime 853536 itsplit 1 - acceleration/energy drift too large 6.11086242511048 - 24.9213039169619 split increased to 2 itime 640631 + acceleration/energy drift too large 3.98424321291486 + 11.2007054137181 split increased to 2 itime 856516 itsplit 1 - acceleration/energy drift too large 7.22598447497305 - 16.5604493187080 split increased to 2 itime 640681 + acceleration/energy drift too large 5.94878179603460 + 22.5719085136287 split increased to 2 itime 857147 itsplit 1 - acceleration/energy drift too large 14.1894928413524 - 62.7618145737475 split increased to 2 itime 640962 + acceleration/energy drift too large 6.57095914763455 + 24.4479957178359 split increased to 2 itime 858182 itsplit 1 - acceleration/energy drift too large 3.62329406771329 - 16.0700551189854 split increased to 4 itime 640962 - itsplit 2 - acceleration/energy drift too large 3.42122869387669 - 11.2231233514544 split increased to 2 itime 641041 + acceleration/energy drift too large 15.3232982653803 + 94.3096408953427 split increased to 2 itime 858464 itsplit 1 - acceleration/energy drift too large 3.00276085415953 - 21.1159239383801 split increased to 2 itime 641353 + acceleration/energy drift too large 2.59847752037541 + 11.3246345994573 split increased to 4 itime 858464 itsplit 1 - acceleration/energy drift too large 2.99971789979545 - 13.2195348311053 split increased to 2 itime 641357 +Velocities reset to random values, time 171999.80 + acceleration/energy drift too large 5.86756542175849 + 21.7992406500632 split increased to 2 itime 864829 itsplit 1 - acceleration/energy drift too large 6.24077546962863 - 25.1056089413894 split increased to 2 itime 642481 + acceleration/energy drift too large 10.4436714273162 + 27.5466902558856 split increased to 2 itime 865917 itsplit 1 - acceleration/energy drift too large 3.67728639548230 - 16.7744147609823 split increased to 2 itime 642633 + acceleration/energy drift too large 11.0395332028414 + 47.1948502836328 split increased to 2 itime 865988 itsplit 1 - acceleration/energy drift too large 4.37370556165024 - 10.4741172758471 split increased to 2 itime 642644 + acceleration/energy drift too large 3.89956981575038 + 16.9814889591811 split increased to 2 itime 868423 itsplit 1 - acceleration/energy drift too large 1.55725923554902 - 13.6925817338256 split increased to 2 itime 643488 +Velocities reset to random values, time 173999.80 + acceleration/energy drift too large 10.5985918498050 + 44.4108923204752 split increased to 2 itime 871992 itsplit 1 - acceleration/energy drift too large 2.86169899824971 - 12.2327401660200 split increased to 2 itime 643586 + acceleration/energy drift too large 8.13458200903626 + 33.7407162724200 split increased to 2 itime 872087 itsplit 1 - acceleration/energy drift too large 11.3785494097924 - 60.0756999535705 split increased to 2 itime 645678 + acceleration/energy drift too large 11.8357510065204 + 52.5074558124040 split increased to 2 itime 873183 itsplit 1 - acceleration/energy drift too large 2.49108326243160 - 12.1734851098433 split increased to 4 itime 645678 + acceleration/energy drift too large 2.92477123284909 + 13.2448634858232 split increased to 4 itime 873183 itsplit 2 - acceleration/energy drift too large 4.74749423461805 - 12.8307181304668 split increased to 2 itime 647087 + acceleration/energy drift too large 13.7853538755129 + 70.7123452348024 split increased to 2 itime 873556 itsplit 1 - acceleration/energy drift too large 5.58180536363731 - 16.6679035142346 split increased to 2 itime 647593 + acceleration/energy drift too large 4.96866389423669 + 17.3093549158449 split increased to 2 itime 874158 itsplit 1 - acceleration/energy drift too large 17.1724466865508 - 113.567449114696 split increased to 2 itime 649068 + acceleration/energy drift too large 4.58459324574727 + 11.4561303759212 split increased to 2 itime 875643 itsplit 1 - acceleration/energy drift too large 2.91463226374264 - 18.8877731971016 split increased to 4 itime 649068 + acceleration/energy drift too large 10.6717496401822 + 54.4071662121665 split increased to 2 itime 877229 itsplit 1 - acceleration/energy drift too large 9.73044598716956 - 53.6852826646586 split increased to 2 itime 649667 + acceleration/energy drift too large 2.00786172593375 + 11.1712743875438 split increased to 2 itime 878489 itsplit 1 - acceleration/energy drift too large 5.99619247055488 - 23.7624336633405 split increased to 2 itime 649999 +Velocities reset to random values, time 175999.80 + acceleration/energy drift too large 5.26879753513507 + 14.4381583717057 split increased to 2 itime 882787 itsplit 1 -Velocities reset to random values, time 129999.80 - acceleration/energy drift too large 4.62535878963817 - 27.4696798603177 split increased to 2 itime 650344 + acceleration/energy drift too large 5.55233467491308 + 23.6300250093994 split increased to 2 itime 882907 itsplit 1 - acceleration/energy drift too large 3.73293135178210 - 27.5178361182993 split increased to 2 itime 650978 + acceleration/energy drift too large 4.70041044413669 + 10.9848991926025 split increased to 2 itime 884645 itsplit 1 - acceleration/energy drift too large 5.34322696411000 - 32.4767098829050 split increased to 2 itime 652742 + acceleration/energy drift too large 4.94437942485239 + 11.7892974456294 split increased to 2 itime 884751 itsplit 1 - acceleration/energy drift too large 3.12061448278396 - 20.1713319381800 split increased to 2 itime 656414 + acceleration/energy drift too large 4.95630064513139 + 18.4719051548976 split increased to 2 itime 886382 itsplit 1 - acceleration/energy drift too large 10.4783122146943 - 48.9719079925684 split increased to 2 itime 657555 +Velocities reset to random values, time 177999.80 + acceleration/energy drift too large 1.96044152101068 + 10.6558465484199 split increased to 2 itime 893369 itsplit 1 - acceleration/energy drift too large 2.41371230094004 - 14.5809220120447 split increased to 2 itime 659872 + acceleration/energy drift too large 6.02734564193341 + 12.1338237904880 split increased to 2 itime 893424 itsplit 1 -Velocities reset to random values, time 131999.80 - acceleration/energy drift too large 4.78850153589871 - 13.0931366521131 split increased to 2 itime 660723 + acceleration/energy drift too large 2.40096382265142 + 15.4450431909484 split increased to 2 itime 897886 itsplit 1 - acceleration/energy drift too large 9.66072181704057 - 44.7055256230949 split increased to 2 itime 660909 +Velocities reset to random values, time 179999.80 + REMD synchro at 900000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 321.726562500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.38889 18 +ACC 2 260.00000 0.27778 18 +ACC 3 270.00000 0.05556 18 +ACC 4 280.00000 0.72093 43 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 5.71514740344568 + 13.6281022847843 split increased to 2 itime 901782 itsplit 1 - acceleration/energy drift too large 6.28298310165240 - 25.8316018068304 split increased to 2 itime 662105 + acceleration/energy drift too large 10.9934125524854 + 50.2920299901713 split increased to 2 itime 902127 itsplit 1 - acceleration/energy drift too large 4.61032849705654 - 22.0150139035228 split increased to 2 itime 663230 + acceleration/energy drift too large 4.92210231899982 + 12.0766504648517 split increased to 2 itime 902804 itsplit 1 - acceleration/energy drift too large 6.00982697522521 - 16.7808143561205 split increased to 2 itime 665126 + acceleration/energy drift too large 5.06414109114000 + 14.2657111988921 split increased to 2 itime 905587 itsplit 1 - acceleration/energy drift too large 4.29761659187874 - 13.8389430916353 split increased to 2 itime 665427 + acceleration/energy drift too large 8.80994117321351 + 37.1826606402313 split increased to 2 itime 906631 itsplit 1 - acceleration/energy drift too large 4.49294367021075 - 10.0015674199440 split increased to 2 itime 665478 +Velocities reset to random values, time 181999.80 + acceleration/energy drift too large 2.65597561486335 + 11.0743041903160 split increased to 2 itime 912387 itsplit 1 - acceleration/energy drift too large 3.82219634840162 - 10.4916655336026 split increased to 2 itime 668130 + acceleration/energy drift too large 6.92818824344209 + 21.6155762558959 split increased to 2 itime 913588 itsplit 1 - acceleration/energy drift too large 5.96094732042994 - 17.7703967803927 split increased to 2 itime 668261 + acceleration/energy drift too large 7.90083716565405 + 24.8690866265602 split increased to 2 itime 917888 itsplit 1 - acceleration/energy drift too large 4.89829468611348 - 12.0538031415534 split increased to 2 itime 668336 + acceleration/energy drift too large 5.72687020356758 + 11.5825835742799 split increased to 2 itime 918816 itsplit 1 - acceleration/energy drift too large 12.1335050769766 - 64.3482700132136 split increased to 2 itime 668445 + acceleration/energy drift too large 5.01468640740298 + 19.8130402657057 split increased to 2 itime 918891 itsplit 1 - acceleration/energy drift too large 4.02320339839840 - 14.8937021816675 split increased to 2 itime 669040 + acceleration/energy drift too large 4.34456565370958 + 13.0765561632187 split increased to 2 itime 919091 itsplit 1 - acceleration/energy drift too large 4.37223349949132 - 17.1658710500645 split increased to 2 itime 669860 + acceleration/energy drift too large 5.13617802622190 + 29.7591878227575 split increased to 2 itime 919424 itsplit 1 -Velocities reset to random values, time 133999.80 - acceleration/energy drift too large 4.39898780391572 - 19.4765180536983 split increased to 2 itime 670481 + acceleration/energy drift too large 2.42414098178573 + 12.0654053523613 split increased to 2 itime 919803 itsplit 1 - acceleration/energy drift too large 4.04788139707366 - 10.6701854910575 split increased to 2 itime 674226 +Velocities reset to random values, time 183999.80 + acceleration/energy drift too large 10.0299038928884 + 36.9966299551508 split increased to 2 itime 921986 itsplit 1 - acceleration/energy drift too large 4.24798732802235 - 25.6638290593318 split increased to 2 itime 674771 + acceleration/energy drift too large 9.45590486003000 + 47.1828560890575 split increased to 2 itime 923509 itsplit 1 - acceleration/energy drift too large 4.32785464484765 - 13.3743245923795 split increased to 2 itime 675004 + acceleration/energy drift too large 3.46040715411608 + 12.7825352307440 split increased to 2 itime 924383 itsplit 1 - acceleration/energy drift too large 6.01749921922012 - 31.1557172474781 split increased to 2 itime 675048 + acceleration/energy drift too large 3.80214408147408 + 14.3969163375044 split increased to 2 itime 924843 itsplit 1 - acceleration/energy drift too large 5.07111953847073 - 21.4290652104006 split increased to 2 itime 675391 + acceleration/energy drift too large 3.94481731359246 + 11.9708459217980 split increased to 2 itime 926962 itsplit 1 - acceleration/energy drift too large 5.12391341884474 - 10.2864342656937 split increased to 2 itime 675607 + acceleration/energy drift too large 6.74396860154954 + 20.5349934875906 split increased to 2 itime 927389 itsplit 1 - acceleration/energy drift too large 5.50944853554163 - 31.2879529447634 split increased to 2 itime 676330 + acceleration/energy drift too large 5.36040437534790 + 24.0102532988524 split increased to 2 itime 928350 itsplit 1 - acceleration/energy drift too large 6.48040329681869 - 32.8386781768475 split increased to 2 itime 676420 + acceleration/energy drift too large 9.40919850314354 + 38.5645800820981 split increased to 2 itime 928389 itsplit 1 - acceleration/energy drift too large 3.10262433842975 - 10.6509109753339 split increased to 2 itime 676898 + acceleration/energy drift too large 4.76092473844312 + 22.0826209787343 split increased to 2 itime 928518 itsplit 1 - acceleration/energy drift too large 10.8623951163489 - 69.5898491294610 split increased to 2 itime 678300 + acceleration/energy drift too large 5.08310445130870 + 28.8011943712841 split increased to 2 itime 928698 itsplit 1 - acceleration/energy drift too large 2.52441412857642 - 12.9910731840389 split increased to 4 itime 678300 + acceleration/energy drift too large 5.80923182526519 + 19.9865900842357 split increased to 2 itime 928809 itsplit 1 - acceleration/energy drift too large 6.52804814000305 - 41.9147165499755 split increased to 2 itime 679552 + acceleration/energy drift too large 5.05275172801476 + 25.2725941418263 split increased to 2 itime 929248 itsplit 1 - acceleration/energy drift too large 5.40281236555388 - 19.2514326680344 split increased to 2 itime 679567 + acceleration/energy drift too large 5.09103105832141 + 15.0930332101291 split increased to 2 itime 929703 itsplit 1 - acceleration/energy drift too large 7.44131593506286 - 41.6093859695981 split increased to 2 itime 679651 +Velocities reset to random values, time 185999.80 + acceleration/energy drift too large 4.64506418891334 + 11.9026814324449 split increased to 2 itime 933499 itsplit 1 - acceleration/energy drift too large 5.90304691180671 - 32.8391081927771 split increased to 2 itime 679674 + acceleration/energy drift too large 4.89490435290292 + 12.4256492154126 split increased to 2 itime 933508 itsplit 1 - acceleration/energy drift too large 6.71109743673371 - 31.1593000749481 split increased to 2 itime 679676 + acceleration/energy drift too large 11.5212392174343 + 49.0721979383186 split increased to 2 itime 934307 itsplit 1 - acceleration/energy drift too large 2.73450640564816 - 12.8698419784926 split increased to 4 itime 679676 + acceleration/energy drift too large 7.96207446992124 + 15.3971126015964 split increased to 2 itime 934441 itsplit 1 - acceleration/energy drift too large 8.32782148441198 - 19.4817813475231 split increased to 2 itime 679885 + acceleration/energy drift too large 5.18789351652513 + 31.8563691834639 split increased to 2 itime 938672 itsplit 1 -Velocities reset to random values, time 135999.80 - acceleration/energy drift too large 3.83668976079277 - 19.2109693149152 split increased to 2 itime 680329 + acceleration/energy drift too large 4.69739470897338 + 19.5092742586902 split increased to 2 itime 938686 itsplit 1 - acceleration/energy drift too large 5.88609447897641 - 12.0648264981557 split increased to 2 itime 681431 + acceleration/energy drift too large 11.1361674824060 + 44.5748378770871 split increased to 2 itime 939647 itsplit 1 - acceleration/energy drift too large 5.86053054257781 - 33.8877650497518 split increased to 2 itime 681719 + acceleration/energy drift too large 2.74764415959506 + 11.0611121170992 split increased to 4 itime 939647 + itsplit 2 +Velocities reset to random values, time 187999.80 + acceleration/energy drift too large 2.27413896383589 + 11.5024099975308 split increased to 2 itime 941508 itsplit 1 - acceleration/energy drift too large 6.52500619191552 - 20.7599067078987 split increased to 2 itime 682815 + acceleration/energy drift too large 6.40475883836654 + 19.1225403660707 split increased to 2 itime 943926 itsplit 1 - acceleration/energy drift too large 3.04880828463340 - 13.7398773015852 split increased to 2 itime 683020 + acceleration/energy drift too large 4.46571535199885 + 12.3810367292577 split increased to 2 itime 946426 itsplit 1 - acceleration/energy drift too large 6.69369321616485 - 13.9990975724032 split increased to 2 itime 683283 + acceleration/energy drift too large 4.66958758076823 + 19.0846618206654 split increased to 2 itime 948340 itsplit 1 - acceleration/energy drift too large 5.23618767133098 - 12.9703143621347 split increased to 2 itime 683312 +Velocities reset to random values, time 189999.80 + acceleration/energy drift too large 4.87691136276983 + 14.4578093291878 split increased to 2 itime 951179 itsplit 1 - acceleration/energy drift too large 3.47848308236124 - 10.8920710917359 split increased to 2 itime 683420 + acceleration/energy drift too large 5.51055206171708 + 16.7823616387057 split increased to 2 itime 951448 itsplit 1 - acceleration/energy drift too large 5.77425574531984 - 15.9321698489354 split increased to 2 itime 685001 + acceleration/energy drift too large 4.80780851227342 + 13.8720171936123 split increased to 2 itime 952275 itsplit 1 - acceleration/energy drift too large 4.78576434663960 - 18.9848114224845 split increased to 2 itime 685486 + acceleration/energy drift too large 4.95496922715254 + 14.4503327277080 split increased to 2 itime 954159 itsplit 1 - acceleration/energy drift too large 8.95051829270475 - 26.0985813353001 split increased to 2 itime 686410 + acceleration/energy drift too large 4.87417505689391 + 14.0978061532570 split increased to 2 itime 955139 itsplit 1 - acceleration/energy drift too large 5.27035803402023 - 13.8537643596133 split increased to 2 itime 686850 + acceleration/energy drift too large 1.32913652719646 + 12.0248997075978 split increased to 2 itime 955559 itsplit 1 - acceleration/energy drift too large 1.88185288139653 - 10.4752137226399 split increased to 2 itime 686982 + acceleration/energy drift too large 4.94437217115836 + 15.1485453190180 split increased to 2 itime 955816 itsplit 1 - acceleration/energy drift too large 11.9606352779224 - 57.7497909705213 split increased to 2 itime 687931 + acceleration/energy drift too large 6.43614691215217 + 21.6696205930902 split increased to 2 itime 956623 itsplit 1 - acceleration/energy drift too large 2.83487525808160 - 18.4142484922531 split increased to 4 itime 687931 + acceleration/energy drift too large 4.25494956403097 + 11.6022676388064 split increased to 2 itime 957405 itsplit 1 - acceleration/energy drift too large 1.92726508569327 - 14.2430931373822 split increased to 2 itime 688754 + acceleration/energy drift too large 4.76867939612087 + 11.3814293536384 split increased to 2 itime 958018 itsplit 1 -Velocities reset to random values, time 137999.80 - acceleration/energy drift too large 2.56681668890711 - 21.4948796680863 split increased to 2 itime 690006 + acceleration/energy drift too large 8.84942061184892 + 34.1755546882128 split increased to 2 itime 959420 itsplit 1 - acceleration/energy drift too large 5.99179532566691 - 26.7553438186719 split increased to 2 itime 690211 + acceleration/energy drift too large 3.84994618386009 + 15.8673493830940 split increased to 2 itime 959561 itsplit 1 - acceleration/energy drift too large 3.77067773605480 - 30.2275892304465 split increased to 2 itime 691436 +Velocities reset to random values, time 191999.80 + acceleration/energy drift too large 8.51609012287771 + 31.2851806537769 split increased to 2 itime 963053 itsplit 1 - acceleration/energy drift too large 4.27292919771583 - 10.4478680604994 split increased to 2 itime 692106 + acceleration/energy drift too large 10.3565107371589 + 51.5577138722102 split increased to 2 itime 963965 itsplit 1 - acceleration/energy drift too large 5.03333260400241 - 10.0274498767210 split increased to 2 itime 692207 + acceleration/energy drift too large 1.95439585727398 + 16.5425532816246 split increased to 2 itime 963966 itsplit 1 - acceleration/energy drift too large 3.20278003715589 - 11.5202100793791 split increased to 2 itime 692465 + acceleration/energy drift too large 5.84603437431627 + 16.6630630274481 split increased to 2 itime 964164 itsplit 1 - acceleration/energy drift too large 5.40751042129251 - 17.7742270714383 split increased to 2 itime 692791 + acceleration/energy drift too large 4.60125269606814 + 14.9317723579277 split increased to 2 itime 967356 itsplit 1 - acceleration/energy drift too large 4.94308070782740 - 29.5717274262642 split increased to 2 itime 692896 + acceleration/energy drift too large 3.41607134380413 + 11.1938277310468 split increased to 2 itime 968887 itsplit 1 - acceleration/energy drift too large 3.87741995325826 - 13.6294726409417 split increased to 2 itime 693298 + acceleration/energy drift too large 9.05477707984093 + 40.5892523854984 split increased to 2 itime 969426 itsplit 1 - acceleration/energy drift too large 7.98258418567227 - 29.1179350889020 split increased to 2 itime 693612 + acceleration/energy drift too large 2.77507712893320 + 10.1750067425536 split increased to 2 itime 969764 itsplit 1 - acceleration/energy drift too large 2.36914242216512 - 19.5036457789073 split increased to 2 itime 693685 +Velocities reset to random values, time 193999.80 + acceleration/energy drift too large 8.57342296852187 + 36.7722986794712 split increased to 2 itime 972239 itsplit 1 - acceleration/energy drift too large 5.69669794276481 - 40.6102684986143 split increased to 2 itime 694057 + acceleration/energy drift too large 6.91064120278179 + 18.0600009642599 split increased to 2 itime 972258 itsplit 1 - acceleration/energy drift too large 5.29315047918184 - 19.3889190534506 split increased to 2 itime 694116 + acceleration/energy drift too large 6.48360577350393 + 16.9829324245738 split increased to 2 itime 973342 itsplit 1 - acceleration/energy drift too large 3.52756650183848 - 16.7841416036274 split increased to 2 itime 694125 + acceleration/energy drift too large 4.78972752386392 + 10.6220153153136 split increased to 2 itime 973986 itsplit 1 - acceleration/energy drift too large 3.67691171695912 - 21.5675516107547 split increased to 2 itime 695307 + acceleration/energy drift too large 3.28832108089874 + 22.9509737252149 split increased to 2 itime 975801 itsplit 1 - acceleration/energy drift too large 10.8443086473719 - 56.1597685559824 split increased to 2 itime 695756 + acceleration/energy drift too large 4.63706471648646 + 11.9541075525664 split increased to 2 itime 976328 itsplit 1 - acceleration/energy drift too large 6.94299291214412 - 14.0161820417590 split increased to 2 itime 695932 + acceleration/energy drift too large 7.30805720623818 + 17.0680761034722 split increased to 2 itime 977449 itsplit 1 - acceleration/energy drift too large 5.19062647677710 - 12.6170613958460 split increased to 2 itime 696519 + acceleration/energy drift too large 6.63698263551059 + 14.8615448557323 split increased to 2 itime 978019 itsplit 1 - acceleration/energy drift too large 6.09415057912963 - 16.5106176715828 split increased to 2 itime 696932 + acceleration/energy drift too large 5.67057160442331 + 14.3906590101232 split increased to 2 itime 979815 itsplit 1 - acceleration/energy drift too large 3.05986622896694 - 11.3104934820040 split increased to 2 itime 697046 +Velocities reset to random values, time 195999.80 + acceleration/energy drift too large 2.15180477706187 + 15.5910126299132 split increased to 2 itime 980342 itsplit 1 - acceleration/energy drift too large 8.54028904963511 - 46.4148481767631 split increased to 2 itime 697320 + acceleration/energy drift too large 4.99516807130371 + 12.9013116454762 split increased to 2 itime 984051 itsplit 1 - acceleration/energy drift too large 5.69987716389526 - 31.7005497307753 split increased to 2 itime 699002 + acceleration/energy drift too large 4.18309973862553 + 16.1730859230227 split increased to 2 itime 984907 itsplit 1 - acceleration/energy drift too large 6.46115438065238 - 13.6621065528287 split increased to 2 itime 699205 + acceleration/energy drift too large 6.10995474218833 + 24.8652003909388 split increased to 2 itime 985070 itsplit 1 -Velocities reset to random values, time 139999.80 - REMD synchro at 700000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 289.394531250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.42857 14 -ACC 2 260.00000 0.28571 14 -ACC 3 270.00000 0.64286 14 -ACC 4 280.00000 0.64286 14 -ACC 5 290.00000 0.71429 14 -ACC 6 300.00000 0.78571 14 -ACC 7 310.00000 0.71429 14 -ACC 8 320.00000 0.57143 14 -ACC 9 330.00000 0.71429 14 -ACC 10 340.00000 0.64286 14 -ACC 11 350.00000 0.78571 14 -ACC 12 360.00000 0.85714 14 -ACC 13 370.00000 0.71429 14 -ACC 14 380.00000 1.00000 14 -ACC 15 390.00000 0.92857 14 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 8.11720449887750 - 35.9480100658249 split increased to 2 itime 700837 - itsplit 1 - acceleration/energy drift too large 5.20286849453995 - 12.8545924301821 split increased to 2 itime 700972 - itsplit 1 - acceleration/energy drift too large 3.65116170912629 - 14.3466085630485 split increased to 2 itime 701242 - itsplit 1 - acceleration/energy drift too large 2.91870628148037 - 11.4368301937584 split increased to 2 itime 701344 - itsplit 1 - acceleration/energy drift too large 3.80146513655856 - 23.4488948333596 split increased to 2 itime 702310 - itsplit 1 - acceleration/energy drift too large 6.13751273749208 - 14.3244520265397 split increased to 2 itime 702326 - itsplit 1 - acceleration/energy drift too large 3.03443628466139 - 18.3422873181726 split increased to 2 itime 703114 - itsplit 1 - acceleration/energy drift too large 3.44391616236463 - 18.5905922480110 split increased to 2 itime 703490 - itsplit 1 - acceleration/energy drift too large 4.85689491137434 - 10.4491899217320 split increased to 2 itime 703885 - itsplit 1 - acceleration/energy drift too large 2.57350219389582 - 10.3015361013323 split increased to 2 itime 704065 - itsplit 1 - acceleration/energy drift too large 8.97585198007661 - 41.1269172966464 split increased to 2 itime 704832 - itsplit 1 - acceleration/energy drift too large 6.72849882921725 - 16.4846300918076 split increased to 2 itime 707001 - itsplit 1 - acceleration/energy drift too large 16.4469352140303 - 97.2940181309860 split increased to 2 itime 707127 - itsplit 1 - acceleration/energy drift too large 6.61555808148272 - 23.2879786306406 split increased to 2 itime 708229 - itsplit 1 - acceleration/energy drift too large 9.10617472573240 - 42.4662918953065 split increased to 2 itime 708329 - itsplit 1 - acceleration/energy drift too large 4.02172850170034 - 13.7115458243418 split increased to 2 itime 708521 - itsplit 1 - acceleration/energy drift too large 5.11370333388024 - 13.8433798174794 split increased to 2 itime 708774 - itsplit 1 - acceleration/energy drift too large 7.04000769985109 - 13.7544815544171 split increased to 2 itime 709858 - itsplit 1 -Velocities reset to random values, time 141999.80 - acceleration/energy drift too large 5.41956251847003 - 11.8718423596905 split increased to 2 itime 710179 - itsplit 1 - acceleration/energy drift too large 4.81696801389753 - 26.3718841761635 split increased to 2 itime 710750 - itsplit 1 - acceleration/energy drift too large 5.38576592170803 - 28.6667942437354 split increased to 2 itime 710936 - itsplit 1 - acceleration/energy drift too large 6.61411892544192 - 30.0768132868370 split increased to 2 itime 711316 - itsplit 1 - acceleration/energy drift too large 5.58278496491360 - 31.9213860315535 split increased to 2 itime 713478 - itsplit 1 - acceleration/energy drift too large 2.31104493200979 - 13.7926843226157 split increased to 2 itime 715117 - itsplit 1 - acceleration/energy drift too large 12.4344436210483 - 69.9848558146578 split increased to 2 itime 715463 - itsplit 1 - acceleration/energy drift too large 5.90543797327927 - 10.5072962885552 split increased to 2 itime 715686 - itsplit 1 - acceleration/energy drift too large 6.42985738275233 - 27.5992434588681 split increased to 2 itime 715718 - itsplit 1 - acceleration/energy drift too large 4.65908160790281 - 28.1598205863369 split increased to 2 itime 716098 - itsplit 1 - acceleration/energy drift too large 2.23121348824216 - 13.1518524731892 split increased to 2 itime 716145 - itsplit 1 - acceleration/energy drift too large 5.56272107748309 - 13.8763371375724 split increased to 2 itime 716363 - itsplit 1 - acceleration/energy drift too large 2.98462205643197 - 17.8720134155159 split increased to 2 itime 716884 - itsplit 1 - acceleration/energy drift too large 3.33009756929900 - 10.2609663529504 split increased to 2 itime 717177 - itsplit 1 - acceleration/energy drift too large 5.57847995984232 - 11.5085069218216 split increased to 2 itime 717572 - itsplit 1 - acceleration/energy drift too large 4.67674970316485 - 12.8904797847084 split increased to 2 itime 717756 - itsplit 1 - acceleration/energy drift too large 3.29465335465414 - 14.1381280155952 split increased to 2 itime 719911 - itsplit 1 -Velocities reset to random values, time 143999.80 - acceleration/energy drift too large 4.17876882041245 - 12.6188064936655 split increased to 2 itime 720634 - itsplit 1 - acceleration/energy drift too large 11.4380824747569 - 68.3078496706706 split increased to 2 itime 721232 - itsplit 1 - acceleration/energy drift too large 5.11039078682322 - 11.8668300255710 split increased to 2 itime 723487 - itsplit 1 - acceleration/energy drift too large 4.20128522536592 - 13.2073982530203 split increased to 2 itime 724395 - itsplit 1 - acceleration/energy drift too large 7.32910906097292 - 15.3965348106003 split increased to 2 itime 724995 - itsplit 1 - acceleration/energy drift too large 5.59800121191789 - 16.3143181601815 split increased to 2 itime 726181 - itsplit 1 - acceleration/energy drift too large 5.35721270345146 - 16.8490833272991 split increased to 2 itime 727235 - itsplit 1 - acceleration/energy drift too large 7.38290872145886 - 16.2037233603391 split increased to 2 itime 727292 - itsplit 1 - acceleration/energy drift too large 4.14860702237382 - 26.5630068950048 split increased to 4 itime 727292 - itsplit 2 -Velocities reset to random values, time 145999.80 - acceleration/energy drift too large 2.93984517309579 - 16.6782394655914 split increased to 2 itime 730311 - itsplit 1 - acceleration/energy drift too large 2.87219861895303 - 19.2097047407069 split increased to 2 itime 731608 - itsplit 1 - acceleration/energy drift too large 4.58372514549138 - 11.5546377752536 split increased to 2 itime 732658 - itsplit 1 - acceleration/energy drift too large 6.12112685378053 - 18.0574184678024 split increased to 2 itime 732661 - itsplit 1 - acceleration/energy drift too large 4.63558059761805 - 16.0132457848208 split increased to 2 itime 733127 - itsplit 1 - acceleration/energy drift too large 4.95334629856386 - 11.7491351593690 split increased to 2 itime 733757 - itsplit 1 - acceleration/energy drift too large 7.13269906841022 - 27.3481393944862 split increased to 2 itime 733784 - itsplit 1 - acceleration/energy drift too large 5.34162759775089 - 10.3869080051152 split increased to 2 itime 733867 - itsplit 1 - acceleration/energy drift too large 8.02238040168975 - 12.2542596578837 split increased to 2 itime 735302 - itsplit 1 - acceleration/energy drift too large 9.12264549381156 - 19.6528535756718 split increased to 2 itime 735337 - itsplit 1 - acceleration/energy drift too large 5.02297643618615 - 25.3981467102304 split increased to 2 itime 736573 - itsplit 1 - acceleration/energy drift too large 2.88742437039917 - 10.7222733878431 split increased to 2 itime 736574 - itsplit 1 - acceleration/energy drift too large 4.97219204837219 - 12.3981382578386 split increased to 2 itime 737065 - itsplit 1 - acceleration/energy drift too large 3.72757055319022 - 10.1054772523544 split increased to 2 itime 737335 - itsplit 1 - acceleration/energy drift too large 2.81868967659850 - 11.2431565642037 split increased to 2 itime 737675 - itsplit 1 - acceleration/energy drift too large 6.50604436404839 - 16.6885463296399 split increased to 2 itime 738314 - itsplit 1 - acceleration/energy drift too large 8.70774623624325 - 18.2012777646865 split increased to 2 itime 738546 - itsplit 1 - acceleration/energy drift too large 2.47782988433004 - 10.0135387853222 split increased to 2 itime 738712 - itsplit 1 - acceleration/energy drift too large 9.65720027644816 - 24.6737706627431 split increased to 2 itime 739966 - itsplit 1 -Velocities reset to random values, time 147999.80 - acceleration/energy drift too large 5.83490275310682 - 17.2734500308748 split increased to 2 itime 740293 - itsplit 1 - acceleration/energy drift too large 2.41967888178194 - 16.5005673295931 split increased to 2 itime 740294 - itsplit 1 - acceleration/energy drift too large 5.92684639184068 - 15.7753993440322 split increased to 2 itime 740501 - itsplit 1 - acceleration/energy drift too large 12.2378054799971 - 59.1222401237592 split increased to 2 itime 740859 - itsplit 1 - acceleration/energy drift too large 4.71147203452646 - 15.9378132209512 split increased to 2 itime 742086 - itsplit 1 - acceleration/energy drift too large 10.1241154141147 - 49.5651476664475 split increased to 2 itime 742230 - itsplit 1 - acceleration/energy drift too large 8.55238928648374 - 38.8082947300162 split increased to 2 itime 742508 - itsplit 1 - acceleration/energy drift too large 4.63291759153817 - 11.1657627033866 split increased to 2 itime 743021 - itsplit 1 - acceleration/energy drift too large 6.13868702936043 - 15.0285456202743 split increased to 2 itime 744307 - itsplit 1 - acceleration/energy drift too large 12.3268103576927 - 71.5848824410426 split increased to 2 itime 745411 - itsplit 1 - acceleration/energy drift too large 6.43333392431065 - 25.1487072571966 split increased to 2 itime 745503 - itsplit 1 - acceleration/energy drift too large 4.42890359526283 - 28.2654360317681 split increased to 2 itime 745910 - itsplit 1 - acceleration/energy drift too large 7.42291403604513 - 24.8953925887195 split increased to 2 itime 746575 - itsplit 1 - acceleration/energy drift too large 6.35426872326548 - 27.2522682659169 split increased to 2 itime 746750 - itsplit 1 - acceleration/energy drift too large 9.94254704370798 - 47.4011936929260 split increased to 2 itime 747315 - itsplit 1 - acceleration/energy drift too large 1.86492680196737 - 16.1965681695899 split increased to 2 itime 747316 - itsplit 1 -Velocities reset to random values, time 149999.80 - acceleration/energy drift too large 9.18073560331282 - 40.8131448443545 split increased to 2 itime 750272 - itsplit 1 - acceleration/energy drift too large 8.02506036965276 - 27.3447807980334 split increased to 2 itime 750382 - itsplit 1 - acceleration/energy drift too large 5.60951223725942 - 35.9614690629819 split increased to 2 itime 750508 - itsplit 1 - acceleration/energy drift too large 4.95595725865051 - 17.4492818381553 split increased to 2 itime 751304 - itsplit 1 - acceleration/energy drift too large 3.73181631291966 - 10.4755639424838 split increased to 2 itime 752293 - itsplit 1 - acceleration/energy drift too large 6.90583579822753 - 24.6091661110682 split increased to 2 itime 752848 - itsplit 1 - acceleration/energy drift too large 5.24105425922398 - 11.9415380346706 split increased to 2 itime 753876 - itsplit 1 - acceleration/energy drift too large 8.52361774962486 - 32.4861818878236 split increased to 2 itime 754187 - itsplit 1 - acceleration/energy drift too large 2.73130154577056 - 18.1237370995500 split increased to 2 itime 755400 - itsplit 1 - acceleration/energy drift too large 6.70424968925215 - 16.4283046687343 split increased to 2 itime 755767 - itsplit 1 - acceleration/energy drift too large 3.33215995949377 - 16.4680278816705 split increased to 2 itime 756496 - itsplit 1 - acceleration/energy drift too large 5.33228968024792 - 17.3087721044395 split increased to 2 itime 757093 - itsplit 1 - acceleration/energy drift too large 6.14438587743912 - 38.1088809303817 split increased to 2 itime 757895 - itsplit 1 - acceleration/energy drift too large 4.50686292909664 - 20.9265187146252 split increased to 2 itime 757896 - itsplit 1 - acceleration/energy drift too large 4.75898405283910 - 24.3325506372013 split increased to 2 itime 757945 - itsplit 1 - acceleration/energy drift too large 4.13289930847467 - 15.3431473940614 split increased to 2 itime 759483 - itsplit 1 - acceleration/energy drift too large 4.61127655077977 - 17.4779517495459 split increased to 2 itime 759498 - itsplit 1 - acceleration/energy drift too large 8.71369381594099 - 49.7366412149935 split increased to 2 itime 759632 - itsplit 1 -Velocities reset to random values, time 151999.80 - acceleration/energy drift too large 6.43580397827309 - 16.4233096795613 split increased to 2 itime 760152 - itsplit 1 - acceleration/energy drift too large 11.3122136603536 - 56.1496273279264 split increased to 2 itime 760332 - itsplit 1 - acceleration/energy drift too large 10.5746997896608 - 54.3289665205038 split increased to 2 itime 761220 - itsplit 1 - acceleration/energy drift too large 2.41838248175020 - 10.4293443716903 split increased to 4 itime 761220 - itsplit 1 - acceleration/energy drift too large 4.98992831216492 - 27.6345901284655 split increased to 2 itime 761240 - itsplit 1 - acceleration/energy drift too large 6.41191990956657 - 12.9059647831487 split increased to 2 itime 761412 - itsplit 1 - acceleration/energy drift too large 5.39856174090225 - 13.6998856578941 split increased to 2 itime 761745 - itsplit 1 - acceleration/energy drift too large 10.9372724975527 - 52.1245815935940 split increased to 2 itime 762041 - itsplit 1 - acceleration/energy drift too large 0.871225091661636 - 17.5098023455650 split increased to 2 itime 762042 - itsplit 1 - acceleration/energy drift too large 2.66028331637075 - 17.1256845723536 split increased to 2 itime 762933 - itsplit 1 - acceleration/energy drift too large 1.99596918528786 - 10.1375597393198 split increased to 2 itime 764429 - itsplit 1 - acceleration/energy drift too large 4.76122578243500 - 33.2316986484702 split increased to 2 itime 765387 - itsplit 1 - acceleration/energy drift too large 2.20348187658971 - 13.1574881122650 split increased to 2 itime 765565 - itsplit 1 - acceleration/energy drift too large 6.73122130913325 - 20.3494918023678 split increased to 2 itime 765762 - itsplit 1 - acceleration/energy drift too large 4.05257069096200 - 13.7211572297740 split increased to 2 itime 766130 - itsplit 1 - acceleration/energy drift too large 5.29862556826967 - 18.6732141953551 split increased to 2 itime 766149 - itsplit 1 - acceleration/energy drift too large 7.34969421196595 - 28.4653834893784 split increased to 2 itime 766196 - itsplit 1 - acceleration/energy drift too large 4.10560066737414 - 13.9493792661245 split increased to 2 itime 766322 - itsplit 1 - acceleration/energy drift too large 6.88546908694253 - 26.3549059304166 split increased to 2 itime 766694 - itsplit 1 - acceleration/energy drift too large 4.98283677444414 - 26.9657731682248 split increased to 2 itime 766871 - itsplit 1 - acceleration/energy drift too large 5.26777550871686 - 20.4828325361774 split increased to 2 itime 768135 - itsplit 1 - acceleration/energy drift too large 4.11280396191990 - 11.1876323328568 split increased to 2 itime 768926 - itsplit 1 - acceleration/energy drift too large 8.82345757363100 - 36.5298472303389 split increased to 2 itime 769591 - itsplit 1 -Velocities reset to random values, time 153999.80 - acceleration/energy drift too large 11.1910424687684 - 40.7188092355586 split increased to 2 itime 770235 - itsplit 1 - acceleration/energy drift too large 10.5854544304928 - 25.9528329783793 split increased to 2 itime 770726 - itsplit 1 - acceleration/energy drift too large 4.69032627165788 - 11.5541667518256 split increased to 2 itime 770731 - itsplit 1 - acceleration/energy drift too large 4.80943699344173 - 23.1316211490282 split increased to 2 itime 771598 - itsplit 1 - acceleration/energy drift too large 2.17229198486053 - 13.6663633568850 split increased to 2 itime 772197 - itsplit 1 - acceleration/energy drift too large 7.76051794799924 - 29.0857784015039 split increased to 2 itime 774249 - itsplit 1 - acceleration/energy drift too large 3.20373989756117 - 18.6902964243555 split increased to 4 itime 774249 - itsplit 1 - acceleration/energy drift too large 3.79313504265284 - 11.8255465091502 split increased to 2 itime 774655 - itsplit 1 - acceleration/energy drift too large 7.91957039254655 - 22.6103948475217 split increased to 2 itime 774855 - itsplit 1 - acceleration/energy drift too large 9.35138659701622 - 40.1408374545245 split increased to 2 itime 774986 - itsplit 1 - acceleration/energy drift too large 4.10039017596775 - 12.0957930486731 split increased to 2 itime 775749 - itsplit 1 - acceleration/energy drift too large 4.40218727179321 - 15.4243037897106 split increased to 2 itime 776727 - itsplit 1 - acceleration/energy drift too large 6.20964998360838 - 13.9519295998203 split increased to 2 itime 776745 - itsplit 1 - acceleration/energy drift too large 8.14494633948772 - 31.1615276441521 split increased to 2 itime 776813 - itsplit 1 - acceleration/energy drift too large 6.80920668896092 - 18.1177734149848 split increased to 2 itime 777058 - itsplit 1 - acceleration/energy drift too large 3.42789236439444 - 10.5155884635245 split increased to 2 itime 779369 - itsplit 1 - acceleration/energy drift too large 5.32212115567097 - 13.4852111934292 split increased to 2 itime 779490 - itsplit 1 -Velocities reset to random values, time 155999.80 - acceleration/energy drift too large 7.89059523579495 - 29.7824564856205 split increased to 2 itime 780514 - itsplit 1 - acceleration/energy drift too large 2.71836043120833 - 16.4688426410573 split increased to 2 itime 781975 - itsplit 1 - acceleration/energy drift too large 5.42582174827306 - 16.8035911065003 split increased to 2 itime 782225 - itsplit 1 - acceleration/energy drift too large 8.79604114949452 - 29.9117030853523 split increased to 2 itime 784403 - itsplit 1 - acceleration/energy drift too large 4.34478328475579 - 13.0516309207492 split increased to 2 itime 785038 - itsplit 1 - acceleration/energy drift too large 12.0267992958826 - 64.9158377959301 split increased to 2 itime 785502 - itsplit 1 - acceleration/energy drift too large 2.86927783949805 - 15.0302174377880 split increased to 4 itime 785502 - itsplit 2 - acceleration/energy drift too large 6.74416749588866 - 24.7782896947259 split increased to 2 itime 785868 - itsplit 1 - acceleration/energy drift too large 3.99836343483443 - 24.2067372343023 split increased to 2 itime 785966 - itsplit 1 - acceleration/energy drift too large 8.82858130530756 - 25.5700047616842 split increased to 2 itime 786111 - itsplit 1 - acceleration/energy drift too large 5.26427715361465 - 12.6662623681970 split increased to 2 itime 786136 - itsplit 1 - acceleration/energy drift too large 9.96173353016672 - 43.6827276596895 split increased to 2 itime 786329 - itsplit 1 - acceleration/energy drift too large 4.52902428315935 - 25.9415672960537 split increased to 2 itime 786588 - itsplit 1 - acceleration/energy drift too large 4.92084190225243 - 17.8031580601729 split increased to 2 itime 786765 - itsplit 1 - acceleration/energy drift too large 1.35539646830949 - 10.3713693132301 split increased to 2 itime 786881 - itsplit 1 - acceleration/energy drift too large 2.27825760356459 - 13.3588520840026 split increased to 2 itime 787466 - itsplit 1 - acceleration/energy drift too large 5.19137047009736 - 11.9724768790205 split increased to 2 itime 788231 - itsplit 1 - acceleration/energy drift too large 4.15474330978859 - 11.3954412117450 split increased to 2 itime 789090 - itsplit 1 -Velocities reset to random values, time 157999.80 - acceleration/energy drift too large 2.07413870656877 - 10.0887247025908 split increased to 2 itime 790839 - itsplit 1 - acceleration/energy drift too large 7.03703398252484 - 20.9053438238816 split increased to 2 itime 791459 - itsplit 1 - acceleration/energy drift too large 3.34588286521393 - 15.5168908264045 split increased to 2 itime 792734 - itsplit 1 - acceleration/energy drift too large 5.12104252925255 - 28.0971337976728 split increased to 2 itime 792914 - itsplit 1 - acceleration/energy drift too large 3.86619542414277 - 12.7648498051125 split increased to 2 itime 793586 - itsplit 1 - acceleration/energy drift too large 4.55321589755684 - 11.3463573333294 split increased to 2 itime 793865 - itsplit 1 - acceleration/energy drift too large 5.71154648315159 - 16.3890263704544 split increased to 2 itime 794091 - itsplit 1 - acceleration/energy drift too large 4.10128754379293 - 11.1876083265659 split increased to 2 itime 794172 - itsplit 1 - acceleration/energy drift too large 5.10858270950534 - 10.3132624488177 split increased to 2 itime 794243 - itsplit 1 - acceleration/energy drift too large 4.09453632971990 - 12.0594182273070 split increased to 2 itime 794372 - itsplit 1 - acceleration/energy drift too large 10.4882739446551 - 55.2994676774204 split increased to 2 itime 794866 - itsplit 1 - acceleration/energy drift too large 3.14512498490513 - 18.4241954271156 split increased to 2 itime 796099 - itsplit 1 - acceleration/energy drift too large 7.67277000254915 - 22.4377690971799 split increased to 2 itime 796173 - itsplit 1 - acceleration/energy drift too large 5.90764020005741 - 14.3886987817941 split increased to 2 itime 796453 - itsplit 1 - acceleration/energy drift too large 2.36630146620928 - 13.2441099504989 split increased to 2 itime 796454 - itsplit 1 - acceleration/energy drift too large 5.75106229184658 - 14.6408888372617 split increased to 2 itime 796582 - itsplit 1 - acceleration/energy drift too large 4.89563322388087 - 16.2882302874806 split increased to 2 itime 796962 - itsplit 1 - acceleration/energy drift too large 4.39014934673668 - 18.8559177610733 split increased to 2 itime 797056 - itsplit 1 - acceleration/energy drift too large 6.45080488641976 - 15.9675085022738 split increased to 2 itime 797057 - itsplit 1 - acceleration/energy drift too large 8.70225101762707 - 29.8320767651172 split increased to 2 itime 797127 - itsplit 1 - acceleration/energy drift too large 4.77883556629849 - 12.6676495324686 split increased to 2 itime 797259 - itsplit 1 - acceleration/energy drift too large 3.97847034476097 - 17.9089733006466 split increased to 2 itime 797870 - itsplit 1 - acceleration/energy drift too large 13.9046206736496 - 82.0800534834106 split increased to 2 itime 799043 - itsplit 1 -Velocities reset to random values, time 159999.80 - REMD synchro at 800000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 330.421875000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.37500 16 -ACC 2 260.00000 0.31250 16 -ACC 3 270.00000 0.62500 16 -ACC 4 280.00000 0.68750 16 -ACC 5 290.00000 0.75000 16 -ACC 6 300.00000 0.75000 16 -ACC 7 310.00000 0.75000 16 -ACC 8 320.00000 0.56250 16 -ACC 9 330.00000 0.75000 16 -ACC 10 340.00000 0.56250 16 -ACC 11 350.00000 0.75000 16 -ACC 12 360.00000 0.87500 16 -ACC 13 370.00000 0.75000 16 -ACC 14 380.00000 1.00000 16 -ACC 15 390.00000 0.87500 16 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 10.1858531917160 - 49.9919055433977 split increased to 2 itime 800546 - itsplit 1 - acceleration/energy drift too large 6.61474356672286 - 18.3511876009471 split increased to 2 itime 802527 - itsplit 1 - acceleration/energy drift too large 5.21083478084351 - 10.3681522438434 split increased to 2 itime 804118 - itsplit 1 - acceleration/energy drift too large 4.36692923036785 - 25.4941574775791 split increased to 2 itime 805344 - itsplit 1 - acceleration/energy drift too large 4.79987247340460 - 11.6800415168608 split increased to 2 itime 805409 - itsplit 1 - acceleration/energy drift too large 3.30152052270426 - 14.7276305437980 split increased to 2 itime 805757 - itsplit 1 - acceleration/energy drift too large 4.00801745839127 - 28.3955531769657 split increased to 2 itime 807191 - itsplit 1 - acceleration/energy drift too large 5.21173836606324 - 12.2168054952948 split increased to 2 itime 808236 - itsplit 1 - acceleration/energy drift too large 2.76797011334551 - 11.2865727348839 split increased to 2 itime 808237 - itsplit 1 - acceleration/energy drift too large 11.0079970507706 - 52.8200178425537 split increased to 2 itime 808820 - itsplit 1 -Velocities reset to random values, time 161999.80 - acceleration/energy drift too large 3.35046415160692 - 10.4383116816673 split increased to 2 itime 811809 - itsplit 1 - acceleration/energy drift too large 4.55862164829432 - 12.5028868093941 split increased to 2 itime 812396 - itsplit 1 - acceleration/energy drift too large 6.27634706559778 - 35.6139263812836 split increased to 2 itime 812922 - itsplit 1 - acceleration/energy drift too large 3.83550076493065 - 11.6014717005044 split increased to 2 itime 812946 - itsplit 1 - acceleration/energy drift too large 4.61436679818368 - 23.1127673739172 split increased to 2 itime 813170 - itsplit 1 - acceleration/energy drift too large 6.39564402444074 - 40.2069995174404 split increased to 2 itime 814544 - itsplit 1 - acceleration/energy drift too large 4.10887449328207 - 10.8941575395608 split increased to 2 itime 815618 - itsplit 1 - acceleration/energy drift too large 11.7745541114932 - 72.0105161904506 split increased to 2 itime 815631 - itsplit 1 - acceleration/energy drift too large 2.28214975501604 - 11.8708049838113 split increased to 4 itime 815631 - itsplit 2 - acceleration/energy drift too large 4.75834098985964 - 28.5794833996746 split increased to 2 itime 815802 - itsplit 1 - acceleration/energy drift too large 6.44938426589426 - 26.3602793948603 split increased to 2 itime 816021 - itsplit 1 - acceleration/energy drift too large 3.72090282647722 - 11.1383410967662 split increased to 2 itime 816082 - itsplit 1 - acceleration/energy drift too large 4.80507441603727 - 12.2874470750706 split increased to 2 itime 816890 - itsplit 1 - acceleration/energy drift too large 5.59374898201894 - 14.1866285962887 split increased to 2 itime 817194 - itsplit 1 - acceleration/energy drift too large 4.29296785944024 - 10.3657773872582 split increased to 2 itime 817224 - itsplit 1 - acceleration/energy drift too large 3.84651600551193 - 12.7341021194992 split increased to 2 itime 818387 - itsplit 1 - acceleration/energy drift too large 2.22360495738591 - 14.0847637383396 split increased to 2 itime 818601 - itsplit 1 - acceleration/energy drift too large 5.16983473584117 - 11.2129225123064 split increased to 2 itime 818714 - itsplit 1 -Velocities reset to random values, time 163999.80 - acceleration/energy drift too large 8.97951013222568 - 14.8450933627680 split increased to 2 itime 821347 - itsplit 1 - acceleration/energy drift too large 10.7281184582967 - 44.0727871101872 split increased to 2 itime 821714 - itsplit 1 - acceleration/energy drift too large 4.51341949115924 - 16.7004237366531 split increased to 2 itime 821890 - itsplit 1 - acceleration/energy drift too large 5.52141665366594 - 23.8090023103709 split increased to 2 itime 822026 - itsplit 1 - acceleration/energy drift too large 4.42315563535048 - 20.4081954978863 split increased to 2 itime 822360 - itsplit 1 - acceleration/energy drift too large 4.43118357066480 - 17.6242038569295 split increased to 2 itime 822949 - itsplit 1 - acceleration/energy drift too large 4.45232538918048 - 22.7001080092999 split increased to 2 itime 823754 - itsplit 1 - acceleration/energy drift too large 4.31179799890165 - 21.8605874214936 split increased to 2 itime 823963 - itsplit 1 - acceleration/energy drift too large 6.27097032162734 - 17.3929106261447 split increased to 2 itime 825274 - itsplit 1 - acceleration/energy drift too large 16.1231050188181 - 88.9445794602708 split increased to 2 itime 825453 - itsplit 1 - acceleration/energy drift too large 5.06534911294876 - 30.7306392610330 split increased to 2 itime 826381 - itsplit 1 - acceleration/energy drift too large 6.66773689953335 - 21.1417291266588 split increased to 2 itime 828759 - itsplit 1 - acceleration/energy drift too large 4.69846345548895 - 14.2850723594923 split increased to 2 itime 828897 - itsplit 1 -Velocities reset to random values, time 165999.80 - acceleration/energy drift too large 9.10020872936095 - 36.8845664715708 split increased to 2 itime 833523 - itsplit 1 - acceleration/energy drift too large 2.10529538187782 - 10.3597285968010 split increased to 2 itime 834469 - itsplit 1 - acceleration/energy drift too large 5.10179818315932 - 21.0053173142724 split increased to 2 itime 835664 - itsplit 1 - acceleration/energy drift too large 4.10983826305805 - 24.6806120989868 split increased to 2 itime 835827 - itsplit 1 - acceleration/energy drift too large 5.15978255256110 - 18.4695534302812 split increased to 2 itime 835967 - itsplit 1 - acceleration/energy drift too large 5.80631599840364 - 25.3401051176140 split increased to 2 itime 836133 - itsplit 1 - acceleration/energy drift too large 3.76238538502701 - 10.6939381889576 split increased to 2 itime 836140 - itsplit 1 - acceleration/energy drift too large 4.71958085722966 - 15.9122227252988 split increased to 2 itime 839727 - itsplit 1 -Velocities reset to random values, time 167999.80 - acceleration/energy drift too large 4.26927082160644 - 15.5471866777299 split increased to 2 itime 840317 - itsplit 1 - acceleration/energy drift too large 4.71791412322011 - 14.1516194197991 split increased to 2 itime 841422 - itsplit 1 - acceleration/energy drift too large 7.80259106109826 - 38.9559636911525 split increased to 2 itime 843256 - itsplit 1 - acceleration/energy drift too large 6.24246610723308 - 23.1909798726841 split increased to 2 itime 846051 - itsplit 1 - acceleration/energy drift too large 5.42152683843393 - 36.4638939198863 split increased to 2 itime 846945 - itsplit 1 - acceleration/energy drift too large 2.72470774264122 - 10.1781621424218 split increased to 2 itime 848328 - itsplit 1 - acceleration/energy drift too large 2.98628975273830 - 11.5252323082825 split increased to 2 itime 848535 - itsplit 1 - acceleration/energy drift too large 7.59765432138732 - 36.0831963586074 split increased to 2 itime 849072 - itsplit 1 - acceleration/energy drift too large 7.11045682808745 - 16.0713168218446 split increased to 2 itime 849123 - itsplit 1 - acceleration/energy drift too large 1.76251954056545 - 10.6930352230154 split increased to 2 itime 849364 - itsplit 1 - acceleration/energy drift too large 9.39581665933674 - 47.1173070435289 split increased to 2 itime 849466 - itsplit 1 - acceleration/energy drift too large 2.48090034179985 - 11.0370189796659 split increased to 4 itime 849466 - itsplit 1 - acceleration/energy drift too large 4.85368603575384 - 26.1364330278783 split increased to 2 itime 849606 + acceleration/energy drift too large 5.37838485287153 + 20.6681682777983 split increased to 2 itime 985803 itsplit 1 - acceleration/energy drift too large 5.54226555254511 - 31.3092905996061 split increased to 2 itime 849695 + acceleration/energy drift too large 6.47786813756541 + 11.2236387252308 split increased to 2 itime 986211 itsplit 1 - acceleration/energy drift too large 3.70270590445924 - 10.3665933714424 split increased to 2 itime 849926 + acceleration/energy drift too large 4.50953117326919 + 10.2381949366250 split increased to 2 itime 988947 itsplit 1 -Velocities reset to random values, time 169999.80 - acceleration/energy drift too large 3.68185342994993 - 11.3821760217665 split increased to 2 itime 851041 - itsplit 1 - acceleration/energy drift too large 1.30272849302438 - 11.5255973493773 split increased to 2 itime 851510 - itsplit 1 - acceleration/energy drift too large 3.87880302633644 - 12.3183228758084 split increased to 2 itime 851778 - itsplit 1 - acceleration/energy drift too large 5.33004720940022 - 15.5440018808535 split increased to 2 itime 851819 - itsplit 1 - acceleration/energy drift too large 3.41304475117642 - 11.2777203505534 split increased to 2 itime 854377 - itsplit 1 - acceleration/energy drift too large 2.27500270613526 - 15.9377053001000 split increased to 2 itime 855018 - itsplit 1 - acceleration/energy drift too large 10.2867316676197 - 36.7553411283993 split increased to 2 itime 855060 - itsplit 1 - acceleration/energy drift too large 6.24895785298984 - 15.6085990016604 split increased to 2 itime 855349 - itsplit 1 - acceleration/energy drift too large 5.90725842630384 - 39.0462466429432 split increased to 2 itime 855571 - itsplit 1 - acceleration/energy drift too large 3.79779225813693 - 15.5739170626962 split increased to 2 itime 856361 - itsplit 1 - acceleration/energy drift too large 4.28449275870720 - 19.6576330725434 split increased to 2 itime 857531 - itsplit 1 - acceleration/energy drift too large 6.62333786343115 - 12.6131954903391 split increased to 2 itime 858035 - itsplit 1 - acceleration/energy drift too large 6.43179702188010 - 16.1897983967648 split increased to 2 itime 858155 - itsplit 1 - acceleration/energy drift too large 8.11650383037319 - 15.6602078767251 split increased to 2 itime 858432 - itsplit 1 - acceleration/energy drift too large 6.35903095929199 - 23.4297110756282 split increased to 2 itime 858761 - itsplit 1 - acceleration/energy drift too large 2.37405421642417 - 15.1472486608351 split increased to 2 itime 858924 - itsplit 1 - acceleration/energy drift too large 6.09358470738852 - 10.9077721929170 split increased to 2 itime 859471 - itsplit 1 -Velocities reset to random values, time 171999.80 - acceleration/energy drift too large 2.99205006305992 - 10.2350419819350 split increased to 2 itime 860018 - itsplit 1 - acceleration/energy drift too large 3.40837723928827 - 25.7902701486737 split increased to 2 itime 860135 - itsplit 1 - acceleration/energy drift too large 7.62635741992279 - 31.4351267351660 split increased to 2 itime 860901 - itsplit 1 - acceleration/energy drift too large 6.93431461412510 - 15.1613228587910 split increased to 2 itime 861303 - itsplit 1 - acceleration/energy drift too large 1.00987298164245 - 10.3397339799149 split increased to 2 itime 861995 - itsplit 1 - acceleration/energy drift too large 4.16853171169325 - 13.0027043121091 split increased to 2 itime 863287 - itsplit 1 - acceleration/energy drift too large 3.41312242463000 - 11.5196222844960 split increased to 2 itime 865038 - itsplit 1 - acceleration/energy drift too large 13.0330892078029 - 57.0795780246197 split increased to 2 itime 868783 - itsplit 1 - acceleration/energy drift too large 2.12413786848346 - 10.0067532313556 split increased to 2 itime 868784 - itsplit 1 -Velocities reset to random values, time 173999.80 - acceleration/energy drift too large 4.48316920487698 - 15.3642270727834 split increased to 2 itime 870014 - itsplit 1 - acceleration/energy drift too large 5.46663248460850 - 17.7620124333731 split increased to 2 itime 870462 - itsplit 1 - acceleration/energy drift too large 3.68493117330259 - 15.0465686409301 split increased to 2 itime 871407 - itsplit 1 - acceleration/energy drift too large 6.64682869143959 - 24.9070890424714 split increased to 2 itime 871529 - itsplit 1 - acceleration/energy drift too large 5.14654974865849 - 29.8324859553264 split increased to 2 itime 871817 - itsplit 1 - acceleration/energy drift too large 8.42810352971725 - 17.9736890336102 split increased to 2 itime 872861 - itsplit 1 - acceleration/energy drift too large 8.05814780717397 - 30.6379757016150 split increased to 2 itime 874388 - itsplit 1 - acceleration/energy drift too large 8.33355163012773 - 38.3922122885332 split increased to 2 itime 874537 - itsplit 1 - acceleration/energy drift too large 4.68644641701786 - 16.0673717023889 split increased to 2 itime 876317 - itsplit 1 - acceleration/energy drift too large 5.54838238836925 - 10.2436358313971 split increased to 2 itime 876597 - itsplit 1 - acceleration/energy drift too large 5.00469925291067 - 27.3154930108518 split increased to 2 itime 877533 - itsplit 1 - acceleration/energy drift too large 5.59046583329068 - 26.8590207082939 split increased to 2 itime 877548 - itsplit 1 - acceleration/energy drift too large 5.48771666783080 - 28.7019627916702 split increased to 2 itime 878543 - itsplit 1 - acceleration/energy drift too large 3.73201268096728 - 11.0757880270104 split increased to 2 itime 878693 - itsplit 1 - acceleration/energy drift too large 9.05475934756846 - 37.2516124384736 split increased to 2 itime 878702 - itsplit 1 - acceleration/energy drift too large 5.05447404120733 - 25.2698507175826 split increased to 2 itime 879010 - itsplit 1 -Velocities reset to random values, time 175999.80 - acceleration/energy drift too large 9.75728425299078 - 41.0870040318110 split increased to 2 itime 881324 - itsplit 1 - acceleration/energy drift too large 4.47116429398335 - 14.1341879857286 split increased to 2 itime 881606 - itsplit 1 - acceleration/energy drift too large 5.64122344751255 - 18.8058428574082 split increased to 2 itime 881685 - itsplit 1 - acceleration/energy drift too large 3.38201272748284 - 14.2758439607364 split increased to 2 itime 881738 - itsplit 1 - acceleration/energy drift too large 6.24012822934427 - 18.0100837224270 split increased to 2 itime 882462 - itsplit 1 - acceleration/energy drift too large 8.07778553109738 - 25.6531995482950 split increased to 2 itime 882553 - itsplit 1 - acceleration/energy drift too large 9.02012689384697 - 45.8986493682498 split increased to 2 itime 883151 - itsplit 1 - acceleration/energy drift too large 4.38698856093318 - 13.0492338203838 split increased to 2 itime 883152 - itsplit 1 - acceleration/energy drift too large 3.77344730739846 - 31.4190984399745 split increased to 2 itime 883483 - itsplit 1 - acceleration/energy drift too large 6.64034466081295 - 13.3128353634422 split increased to 2 itime 883906 - itsplit 1 - acceleration/energy drift too large 2.99139857812002 - 11.1499735253225 split increased to 2 itime 883907 - itsplit 1 - acceleration/energy drift too large 4.24537943309958 - 18.7215985233019 split increased to 2 itime 883926 - itsplit 1 - acceleration/energy drift too large 4.81741301780442 - 20.8858375981111 split increased to 2 itime 884371 - itsplit 1 - acceleration/energy drift too large 6.52081369720799 - 24.9620853130424 split increased to 2 itime 884974 - itsplit 1 - acceleration/energy drift too large 0.263370944738246 - 12.0317858012129 split increased to 2 itime 884975 - itsplit 1 - acceleration/energy drift too large 3.98878456038785 - 13.0035973568009 split increased to 2 itime 885542 - itsplit 1 - acceleration/energy drift too large 3.18261729071186 - 11.0608343884385 split increased to 2 itime 885578 - itsplit 1 - acceleration/energy drift too large 4.92939709666047 - 18.2408544479708 split increased to 2 itime 885837 - itsplit 1 - acceleration/energy drift too large 4.34515561364903 - 13.1606681215121 split increased to 2 itime 886867 - itsplit 1 - acceleration/energy drift too large 4.64805771470019 - 28.0828383580426 split increased to 2 itime 887096 - itsplit 1 - acceleration/energy drift too large 5.31018609394849 - 32.0949137523407 split increased to 2 itime 889001 - itsplit 1 - acceleration/energy drift too large 6.82513543801012 - 23.6627509990968 split increased to 2 itime 889901 - itsplit 1 - acceleration/energy drift too large 10.9629338214056 - 58.8838096980452 split increased to 2 itime 889927 - itsplit 1 -Velocities reset to random values, time 177999.80 - acceleration/energy drift too large 4.36779603957700 - 24.8966689634780 split increased to 2 itime 890498 - itsplit 1 - acceleration/energy drift too large 4.47372517857774 - 19.6760890913935 split increased to 2 itime 890596 - itsplit 1 - acceleration/energy drift too large 4.14351180458100 - 10.4511039981667 split increased to 2 itime 890712 - itsplit 1 - acceleration/energy drift too large 10.2963683940520 - 45.2861029725464 split increased to 2 itime 890950 - itsplit 1 - acceleration/energy drift too large 8.00597792217140 - 28.6236925691628 split increased to 2 itime 892274 - itsplit 1 - acceleration/energy drift too large 5.02319824980618 - 10.7412013842596 split increased to 2 itime 892567 - itsplit 1 - acceleration/energy drift too large 5.66486812447466 - 21.2749068812215 split increased to 2 itime 892592 - itsplit 1 - acceleration/energy drift too large 5.81284141455630 - 28.0663381368691 split increased to 2 itime 893061 - itsplit 1 - acceleration/energy drift too large 4.30815622737141 - 15.5949203230660 split increased to 2 itime 893492 - itsplit 1 - acceleration/energy drift too large 12.1819107276745 - 65.0361040217672 split increased to 2 itime 893925 - itsplit 1 - acceleration/energy drift too large 7.80254918281608 - 14.5743526834994 split increased to 2 itime 894184 - itsplit 1 - acceleration/energy drift too large 3.90420148861399 - 18.7112169089617 split increased to 2 itime 894537 - itsplit 1 - acceleration/energy drift too large 8.09224840033428 - 23.0036447957748 split increased to 2 itime 894588 - itsplit 1 - acceleration/energy drift too large 5.75108790283350 - 22.1618084409864 split increased to 2 itime 895492 - itsplit 1 - acceleration/energy drift too large 8.08098119782837 - 32.6098455266172 split increased to 2 itime 897411 - itsplit 1 - acceleration/energy drift too large 2.27046515056975 - 12.9209978044190 split increased to 2 itime 897412 - itsplit 1 - acceleration/energy drift too large 2.81204518953327 - 10.7801647430719 split increased to 2 itime 897898 - itsplit 1 - acceleration/energy drift too large 6.00422851541804 - 18.6321947426595 split increased to 2 itime 898369 - itsplit 1 - acceleration/energy drift too large 6.13140200018052 - 10.2266616808305 split increased to 2 itime 899966 - itsplit 1 -Velocities reset to random values, time 179999.80 - REMD synchro at 900000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 373.199218750000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.38889 18 -ACC 2 260.00000 0.27778 18 -ACC 3 270.00000 0.61111 18 -ACC 4 280.00000 0.66667 18 -ACC 5 290.00000 0.77778 18 -ACC 6 300.00000 0.72222 18 -ACC 7 310.00000 0.66667 18 -ACC 8 320.00000 0.61111 18 -ACC 9 330.00000 0.72222 18 -ACC 10 340.00000 0.55556 18 -ACC 11 350.00000 0.77778 18 -ACC 12 360.00000 0.88889 18 -ACC 13 370.00000 0.72222 18 -ACC 14 380.00000 1.00000 18 -ACC 15 390.00000 0.88889 18 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 4.93437115929913 - 15.0101778190027 split increased to 2 itime 901458 - itsplit 1 - acceleration/energy drift too large 6.23402609252654 - 14.4562536827666 split increased to 2 itime 902306 - itsplit 1 - acceleration/energy drift too large 2.99968056491140 - 20.4446159912064 split increased to 2 itime 902468 - itsplit 1 - acceleration/energy drift too large 3.58446877753617 - 10.2761800414219 split increased to 2 itime 904271 - itsplit 1 - acceleration/energy drift too large 4.00651805994318 - 22.1471642208457 split increased to 2 itime 906132 - itsplit 1 - acceleration/energy drift too large 4.85938913669745 - 14.5226291007124 split increased to 2 itime 906133 - itsplit 1 - acceleration/energy drift too large 4.80027462530083 - 16.3990832941431 split increased to 2 itime 906140 - itsplit 1 - acceleration/energy drift too large 4.29442321794351 - 17.7722159592652 split increased to 2 itime 906286 - itsplit 1 - acceleration/energy drift too large 3.08903550090499 - 12.5731053522371 split increased to 2 itime 906287 - itsplit 1 - acceleration/energy drift too large 6.80185232783696 - 27.1935372158233 split increased to 2 itime 907678 - itsplit 1 - acceleration/energy drift too large 3.87821223950876 - 22.7963857622274 split increased to 2 itime 908163 - itsplit 1 - acceleration/energy drift too large 3.83402775545744 - 11.3250287229579 split increased to 2 itime 908164 - itsplit 1 - acceleration/energy drift too large 3.35094012711318 - 16.4693126884373 split increased to 2 itime 908232 - itsplit 1 - acceleration/energy drift too large 6.30726425217768 - 19.7459594678826 split increased to 2 itime 908549 - itsplit 1 - acceleration/energy drift too large 5.07988741659012 - 17.6543755976998 split increased to 2 itime 908770 - itsplit 1 - acceleration/energy drift too large 2.30347111871892 - 10.3511918379433 split increased to 2 itime 909562 - itsplit 1 - acceleration/energy drift too large 4.22646771764469 - 20.1576902483019 split increased to 2 itime 909591 - itsplit 1 - acceleration/energy drift too large 5.47939704292618 - 22.8704872452274 split increased to 2 itime 909731 - itsplit 1 -Velocities reset to random values, time 181999.80 - acceleration/energy drift too large 5.09467054175795 - 26.3969122856032 split increased to 2 itime 910687 - itsplit 1 - acceleration/energy drift too large 5.67033361430972 - 25.6818534970529 split increased to 2 itime 910770 - itsplit 1 - acceleration/energy drift too large 4.99579558348459 - 24.0473705823683 split increased to 2 itime 910798 - itsplit 1 - acceleration/energy drift too large 3.86536720461861 - 21.5771872582344 split increased to 2 itime 913346 - itsplit 1 - acceleration/energy drift too large 3.44077645781660 - 10.2419034181596 split increased to 2 itime 913372 - itsplit 1 - acceleration/energy drift too large 5.28482377800547 - 32.3645650565124 split increased to 2 itime 913588 - itsplit 1 - acceleration/energy drift too large 13.4909664207648 - 69.4081346804915 split increased to 2 itime 915749 - itsplit 1 - acceleration/energy drift too large 12.1372326604667 - 65.6913078401244 split increased to 2 itime 916042 - itsplit 1 - acceleration/energy drift too large 4.40131450822704 - 22.1495751135271 split increased to 2 itime 916232 - itsplit 1 - acceleration/energy drift too large 10.2989448147296 - 51.9670279406022 split increased to 2 itime 917267 - itsplit 1 - acceleration/energy drift too large 3.88462128949334 - 12.4411002466979 split increased to 2 itime 917627 + acceleration/energy drift too large 6.74986184599623 + 38.1406487957218 split increased to 2 itime 989437 itsplit 1 - acceleration/energy drift too large 5.31411568143583 - 15.7333203477963 split increased to 2 itime 917720 - itsplit 1 - acceleration/energy drift too large 3.66157513459153 - 12.5476649583374 split increased to 2 itime 917968 - itsplit 1 - acceleration/energy drift too large 5.70706498520026 - 16.5581569994549 split increased to 2 itime 918387 - itsplit 1 -Velocities reset to random values, time 183999.80 - acceleration/energy drift too large 5.56429193417560 - 29.3175208962556 split increased to 2 itime 920148 - itsplit 1 - acceleration/energy drift too large 6.64284676109226 - 40.1256986281886 split increased to 2 itime 920893 - itsplit 1 - acceleration/energy drift too large 4.38787227250577 - 21.6276639104141 split increased to 2 itime 921366 - itsplit 1 - acceleration/energy drift too large 3.19740832964449 - 10.1014459500854 split increased to 2 itime 921375 - itsplit 1 - acceleration/energy drift too large 7.38527854588811 - 29.6312062575902 split increased to 2 itime 921552 - itsplit 1 - acceleration/energy drift too large 0.438305168966215 - 10.5232281253846 split increased to 2 itime 921553 - itsplit 1 - acceleration/energy drift too large 1.58109993029180 - 14.7565363565881 split increased to 2 itime 921769 - itsplit 1 - acceleration/energy drift too large 5.67760329803003 - 22.2165147218619 split increased to 2 itime 922374 - itsplit 1 - acceleration/energy drift too large 12.2130329960643 - 70.1010473279690 split increased to 2 itime 922481 - itsplit 1 - acceleration/energy drift too large 8.60481415122008 - 31.1592249184065 split increased to 2 itime 923609 - itsplit 1 - acceleration/energy drift too large 8.23813611453226 - 32.1689412432831 split increased to 2 itime 923896 - itsplit 1 - acceleration/energy drift too large 1.06703222250487 - 13.4953480246859 split increased to 2 itime 923897 - itsplit 1 - acceleration/energy drift too large 4.12304869493284 - 15.3307047070699 split increased to 2 itime 924596 - itsplit 1 - acceleration/energy drift too large 9.22935151192767 - 47.5203519308285 split increased to 2 itime 925930 - itsplit 1 - acceleration/energy drift too large 4.29060269682502 - 21.6584126945005 split increased to 2 itime 926384 - itsplit 1 - acceleration/energy drift too large 3.72724613327602 - 11.7006581107728 split increased to 2 itime 926784 - itsplit 1 - acceleration/energy drift too large 9.90482414129620 - 32.5056758649788 split increased to 2 itime 927004 - itsplit 1 - acceleration/energy drift too large 4.68488846071996 - 19.5894347673683 split increased to 2 itime 927131 - itsplit 1 - acceleration/energy drift too large 5.79449162997045 - 15.0490214221326 split increased to 2 itime 927860 - itsplit 1 - acceleration/energy drift too large 3.80198701355842 - 14.4179139400938 split increased to 2 itime 927922 - itsplit 1 - acceleration/energy drift too large 5.33716600225005 - 10.5087033948092 split increased to 2 itime 927964 - itsplit 1 - acceleration/energy drift too large 4.71105565978845 - 15.7922639658713 split increased to 2 itime 928961 - itsplit 1 - acceleration/energy drift too large 6.08600055206621 - 21.4112799856860 split increased to 2 itime 929176 - itsplit 1 -Velocities reset to random values, time 185999.80 - acceleration/energy drift too large 4.47317438085271 - 13.9918727493533 split increased to 2 itime 930716 - itsplit 1 - acceleration/energy drift too large 7.61542398160146 - 20.9377285698323 split increased to 2 itime 930936 - itsplit 1 - acceleration/energy drift too large 5.84231354053295 - 11.9979614683458 split increased to 2 itime 931112 - itsplit 1 - acceleration/energy drift too large 5.14036544416182 - 13.2956735478108 split increased to 2 itime 931812 - itsplit 1 - acceleration/energy drift too large 12.4085325018450 - 72.9235885011681 split increased to 2 itime 931956 - itsplit 1 - acceleration/energy drift too large 4.25445784132679 - 19.7286268432905 split increased to 2 itime 931988 - itsplit 1 - acceleration/energy drift too large 9.30921243877480 - 40.2095483022950 split increased to 2 itime 932199 - itsplit 1 - acceleration/energy drift too large 7.35008464542795 - 21.7813388810560 split increased to 2 itime 932200 - itsplit 1 - acceleration/energy drift too large 1.48243780969227 - 10.6102583561273 split increased to 2 itime 932201 - itsplit 1 - acceleration/energy drift too large 4.25633512692957 - 12.1440705603712 split increased to 2 itime 933754 - itsplit 1 - acceleration/energy drift too large 8.99919094893868 - 36.5826445520266 split increased to 2 itime 933767 - itsplit 1 - acceleration/energy drift too large 4.68498523088640 - 21.4274055628450 split increased to 2 itime 934373 - itsplit 1 - acceleration/energy drift too large 3.72150962358112 - 14.6551097639788 split increased to 2 itime 935499 - itsplit 1 - acceleration/energy drift too large 2.96165562232275 - 12.8539171781291 split increased to 2 itime 935923 - itsplit 1 - acceleration/energy drift too large 3.03855160784851 - 12.5300022063457 split increased to 2 itime 937073 - itsplit 1 - acceleration/energy drift too large 7.60834068261137 - 19.2801094092748 split increased to 2 itime 937329 - itsplit 1 - acceleration/energy drift too large 3.91825253642270 - 10.5284529658647 split increased to 2 itime 937379 - itsplit 1 - acceleration/energy drift too large 12.8377656694859 - 66.2483337549252 split increased to 2 itime 939014 - itsplit 1 - acceleration/energy drift too large 5.68191649703531 - 30.6533963098847 split increased to 2 itime 939506 - itsplit 1 -Velocities reset to random values, time 187999.80 - acceleration/energy drift too large 5.24740822173693 - 25.0947241812972 split increased to 2 itime 940152 - itsplit 1 - acceleration/energy drift too large 4.48255840922835 - 18.0958424953358 split increased to 2 itime 941590 - itsplit 1 - acceleration/energy drift too large 3.82879880331392 - 15.8016757913401 split increased to 2 itime 942863 - itsplit 1 - acceleration/energy drift too large 5.43918886244314 - 27.8890555309109 split increased to 2 itime 943738 - itsplit 1 - acceleration/energy drift too large 4.19823988057940 - 14.1900815764153 split increased to 2 itime 944063 - itsplit 1 - acceleration/energy drift too large 3.10258815927535 - 10.8904351399417 split increased to 2 itime 945234 - itsplit 1 - acceleration/energy drift too large 1.95775952733817 - 11.5335341263733 split increased to 2 itime 946027 - itsplit 1 - acceleration/energy drift too large 7.69451164938157 - 32.3971720271101 split increased to 2 itime 946129 - itsplit 1 - acceleration/energy drift too large 3.78812930180239 - 13.0566190076797 split increased to 2 itime 946137 - itsplit 1 - acceleration/energy drift too large 3.34611334403611 - 11.0468787276732 split increased to 2 itime 946168 - itsplit 1 - acceleration/energy drift too large 6.02605362164031 - 12.0312683397919 split increased to 2 itime 946722 - itsplit 1 - acceleration/energy drift too large 6.01642971241327 - 12.9319001467940 split increased to 2 itime 946801 - itsplit 1 - acceleration/energy drift too large 5.04887898131533 - 10.1685634966359 split increased to 2 itime 947009 - itsplit 1 - acceleration/energy drift too large 5.16001033979912 - 14.4744643571712 split increased to 2 itime 947612 - itsplit 1 - acceleration/energy drift too large 4.07991984644002 - 23.3995076657738 split increased to 2 itime 947620 - itsplit 1 - acceleration/energy drift too large 4.11639392149935 - 12.9072302676626 split increased to 2 itime 948104 - itsplit 1 - acceleration/energy drift too large 3.04719165085300 - 13.1226507930868 split increased to 2 itime 948317 - itsplit 1 - acceleration/energy drift too large 5.09789646580244 - 10.0500170251243 split increased to 2 itime 948393 - itsplit 1 - acceleration/energy drift too large 5.45734651817151 - 15.8517923503394 split increased to 2 itime 949390 - itsplit 1 - acceleration/energy drift too large 11.4665036224663 - 62.6447240694330 split increased to 2 itime 949453 - itsplit 1 - acceleration/energy drift too large 4.08603411271666 - 11.2556477421009 split increased to 2 itime 949465 - itsplit 1 -Velocities reset to random values, time 189999.80 - acceleration/energy drift too large 5.85287446296466 - 14.9991102514819 split increased to 2 itime 950305 - itsplit 1 - acceleration/energy drift too large 3.71477119655034 - 16.3182533353808 split increased to 2 itime 950339 - itsplit 1 - acceleration/energy drift too large 2.83743387635930 - 16.8383827088342 split increased to 2 itime 951329 - itsplit 1 - acceleration/energy drift too large 3.90670326374004 - 15.3220640230232 split increased to 2 itime 953690 - itsplit 1 - acceleration/energy drift too large 2.62861239174918 - 10.7410202238117 split increased to 2 itime 954006 - itsplit 1 - acceleration/energy drift too large 8.86715714960890 - 32.9070869824575 split increased to 2 itime 954055 - itsplit 1 - acceleration/energy drift too large 7.22473560415109 - 28.6103141790460 split increased to 2 itime 954440 - itsplit 1 - acceleration/energy drift too large 5.30416133201391 - 11.4141641246531 split increased to 2 itime 954673 - itsplit 1 - acceleration/energy drift too large 5.94109047559299 - 20.8563622923526 split increased to 2 itime 956224 - itsplit 1 - acceleration/energy drift too large 10.6676691962792 - 54.2823662230696 split increased to 2 itime 956372 - itsplit 1 - acceleration/energy drift too large 3.11409700438409 - 11.9370765376507 split increased to 2 itime 956373 - itsplit 1 - acceleration/energy drift too large 9.99337950790110 - 50.6344725381340 split increased to 2 itime 957377 - itsplit 1 - acceleration/energy drift too large 8.76686080597280 - 33.1394526880058 split increased to 2 itime 957624 - itsplit 1 - acceleration/energy drift too large 4.83868928694961 - 15.2407387496088 split increased to 2 itime 959250 - itsplit 1 -Velocities reset to random values, time 191999.80 - acceleration/energy drift too large 6.42933846314199 - 10.8511750843030 split increased to 2 itime 960109 - itsplit 1 - acceleration/energy drift too large 3.75593246380607 - 11.3652767625915 split increased to 2 itime 961040 - itsplit 1 - acceleration/energy drift too large 4.06342056085148 - 13.0522576387192 split increased to 2 itime 961573 - itsplit 1 - acceleration/energy drift too large 1.89710333313758 - 13.1122808625410 split increased to 2 itime 963062 - itsplit 1 - acceleration/energy drift too large 4.23920866831200 - 11.4845842268528 split increased to 2 itime 963422 - itsplit 1 - acceleration/energy drift too large 5.35973488462845 - 24.8876589245069 split increased to 2 itime 964362 - itsplit 1 - acceleration/energy drift too large 14.6799926241109 - 91.7903279572226 split increased to 2 itime 964694 - itsplit 1 - acceleration/energy drift too large 5.85462317938537 - 24.4728598938659 split increased to 2 itime 966087 - itsplit 1 - acceleration/energy drift too large 6.67269614419787 - 23.6469460395627 split increased to 2 itime 966156 - itsplit 1 - acceleration/energy drift too large 4.52312566278489 - 13.0889079479931 split increased to 2 itime 966325 - itsplit 1 - acceleration/energy drift too large 5.47356410412379 - 18.2121923372165 split increased to 2 itime 969072 - itsplit 1 - acceleration/energy drift too large 6.46212752820196 - 21.4560259385226 split increased to 2 itime 969115 - itsplit 1 -Velocities reset to random values, time 193999.80 - acceleration/energy drift too large 7.59783226207096 - 20.3838446732889 split increased to 2 itime 970164 - itsplit 1 - acceleration/energy drift too large 7.68605738823907 - 25.7785069050754 split increased to 2 itime 971406 - itsplit 1 - acceleration/energy drift too large 3.34888668030859 - 20.1752881212538 split increased to 2 itime 972465 - itsplit 1 - acceleration/energy drift too large 3.56399452097903 - 12.8160196910087 split increased to 2 itime 972736 - itsplit 1 - acceleration/energy drift too large 4.82836545198027 - 13.2089217090868 split increased to 2 itime 972779 - itsplit 1 - acceleration/energy drift too large 5.97141397664501 - 15.1370584478844 split increased to 2 itime 976108 - itsplit 1 - acceleration/energy drift too large 10.5923629945406 - 71.9190696934368 split increased to 2 itime 978542 - itsplit 1 - acceleration/energy drift too large 5.88501413398793 - 13.5630053549221 split increased to 2 itime 978603 - itsplit 1 - acceleration/energy drift too large 4.63888612685780 - 13.1342235544612 split increased to 2 itime 979238 - itsplit 1 -Velocities reset to random values, time 195999.80 - acceleration/energy drift too large 6.60743137668364 - 16.6153955908116 split increased to 2 itime 980986 - itsplit 1 - acceleration/energy drift too large 7.92518090623341 - 30.3280729314424 split increased to 2 itime 981068 - itsplit 1 - acceleration/energy drift too large 4.94810485676927 - 11.0035827892719 split increased to 2 itime 981132 - itsplit 1 - acceleration/energy drift too large 8.33704383212318 - 26.4873381265814 split increased to 2 itime 981351 - itsplit 1 - acceleration/energy drift too large 2.45411157116396 - 14.4319185810067 split increased to 2 itime 981392 - itsplit 1 - acceleration/energy drift too large 5.06038857354386 - 18.0610226812088 split increased to 2 itime 981581 - itsplit 1 - acceleration/energy drift too large 5.31079782616808 - 19.5726040559181 split increased to 2 itime 983607 - itsplit 1 - acceleration/energy drift too large 5.12211749847086 - 31.0571937142762 split increased to 2 itime 983656 - itsplit 1 - acceleration/energy drift too large 3.46727590646042 - 10.4410338698411 split increased to 2 itime 983719 - itsplit 1 - acceleration/energy drift too large 5.15745027275192 - 14.3517863433870 split increased to 2 itime 984132 - itsplit 1 - acceleration/energy drift too large 5.60382704448450 - 33.8135120505602 split increased to 2 itime 984205 - itsplit 1 - acceleration/energy drift too large 10.7354551007698 - 41.0754013691474 split increased to 2 itime 984760 - itsplit 1 - acceleration/energy drift too large 4.13227015195393 - 13.2763627139170 split increased to 2 itime 986890 - itsplit 1 - acceleration/energy drift too large 5.24773554968488 - 20.4821532794208 split increased to 2 itime 987203 - itsplit 1 - acceleration/energy drift too large 2.72906214504816 - 13.2112571800807 split increased to 2 itime 987553 - itsplit 1 - acceleration/energy drift too large 6.78875247695467 - 10.8197900661571 split increased to 2 itime 987865 - itsplit 1 - acceleration/energy drift too large 3.08908612570232 - 17.0662214989227 split increased to 2 itime 988663 - itsplit 1 - acceleration/energy drift too large 2.12819697520283 - 10.9914915667223 split increased to 2 itime 988970 + acceleration/energy drift too large 3.05586682844131 + 14.6533057846227 split increased to 2 itime 989465 itsplit 1 Velocities reset to random values, time 197999.80 - acceleration/energy drift too large 5.31336084563101 - 20.1247269319571 split increased to 2 itime 993048 - itsplit 1 - acceleration/energy drift too large 4.01904876552316 - 15.3342747479772 split increased to 2 itime 994096 - itsplit 1 - acceleration/energy drift too large 8.31183759775714 - 33.8268155226665 split increased to 2 itime 994111 - itsplit 1 - acceleration/energy drift too large 6.01317140278755 - 10.7920252565202 split increased to 2 itime 995266 + acceleration/energy drift too large 7.28658279620935 + 27.1283450743741 split increased to 2 itime 990299 itsplit 1 - acceleration/energy drift too large 5.12941728574690 - 11.8982786194202 split increased to 2 itime 995668 + acceleration/energy drift too large 5.74247445547823 + 15.5650690443904 split increased to 2 itime 991006 itsplit 1 - acceleration/energy drift too large 5.57555697467394 - 19.4554076874888 split increased to 2 itime 995915 + acceleration/energy drift too large 6.29556445663644 + 18.4170510383811 split increased to 2 itime 992407 itsplit 1 - acceleration/energy drift too large 3.63926980681538 - 10.4007927953560 split increased to 2 itime 996505 + acceleration/energy drift too large 8.47176310989947 + 28.6653055426449 split increased to 2 itime 995217 itsplit 1 - acceleration/energy drift too large 2.74788309447201 - 11.3400041220690 split increased to 2 itime 996905 + acceleration/energy drift too large 4.84497751633978 + 16.2830959517259 split increased to 2 itime 997879 itsplit 1 - acceleration/energy drift too large 7.53816938717903 - 12.3424458674330 split increased to 2 itime 997275 + acceleration/energy drift too large 3.61226458022945 + 10.7417405920948 split increased to 2 itime 998715 itsplit 1 - acceleration/energy drift too large 5.59712098102105 - 14.9258324621881 split increased to 2 itime 999687 + acceleration/energy drift too large 6.28375339113309 + 15.5533713623975 split increased to 2 itime 999578 itsplit 1 - acceleration/energy drift too large 13.7419429546435 - 88.2455049087783 split increased to 2 itime 999918 + acceleration/energy drift too large 4.86184466154491 + 14.1794175822057 split increased to 2 itime 999875 itsplit 1 Velocities reset to random values, time 199999.80 REMD synchro at 1000000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 writing restart at the end of run =================================== Timing =================================== - MD calculations setup: 7.81250E-03 - Energy & gradient evaluation: 3.73910E+02 + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 3.36117E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.14270E+02 + MD steps: 3.57406E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 414.292968750000 sec + Total wall clock time 357.441406250000 sec diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB000.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB000.stat index 57883ac..a361c9b 100644 --- a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB000.stat +++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB000.stat @@ -1,101 +1,101 @@ - 0 0.00 26.352 24.996 51.347 12.87 0.000 NaN NaN 0.711 239.075 250.000 15.552 0 - 10000 2000.00 22.203 -34.358 -12.156 5.74 0.143 0.800 0.355 1.330 201.435 250.000 8.639 0 - 20000 4000.00 30.840 -26.930 3.910 5.73 0.143 0.667 0.220 1.379 279.793 250.000 8.599 0 - 30000 6000.00 26.527 -54.844 -28.317 6.57 0.214 0.769 0.217 1.916 240.666 250.000 7.134 0 - 40000 8000.00 27.830 -43.167 -15.337 4.69 0.357 0.667 0.218 1.879 252.488 250.000 6.718 0 - 50000 10000.00 27.494 -43.577 -16.083 4.37 0.286 0.667 0.292 1.641 249.438 250.000 6.640 0 - 60000 12000.00 24.788 -50.373 -25.586 4.64 0.429 0.667 0.293 1.724 224.886 250.000 6.411 0 - 70000 14000.00 26.175 -54.587 -28.412 4.70 0.357 0.615 0.245 1.238 237.476 250.000 6.732 0 - 80000 16000.00 30.921 -45.917 -14.995 5.13 0.286 0.667 0.250 1.369 280.536 250.000 6.959 0 - 90000 18000.00 22.679 -55.173 -32.494 4.81 0.357 0.615 0.269 1.510 205.756 250.000 6.548 0 - 100000 20000.00 24.408 -50.728 -26.321 5.66 0.286 0.692 0.266 1.713 221.438 250.000 6.877 0 - 110000 22000.00 21.220 -56.139 -34.919 6.29 0.286 0.750 0.281 2.883 192.516 250.000 6.860 0 - 120000 24000.00 22.514 -49.899 -27.385 4.58 0.143 0.818 0.227 1.617 204.259 250.000 6.686 0 - 130000 26000.00 21.376 -44.095 -22.719 3.77 0.357 0.667 0.309 1.370 193.932 250.000 6.529 0 - 140000 28000.00 25.923 -43.716 -17.793 7.51 0.214 0.625 0.170 1.351 235.188 250.000 9.462 0 - 150000 30000.00 23.159 -53.540 -30.382 3.49 0.286 0.667 0.322 0.895 210.109 250.000 6.983 0 - 160000 32000.00 25.359 -50.494 -25.135 3.43 0.143 0.833 0.189 3.606 230.069 250.000 7.270 0 - 170000 34000.00 29.007 -53.048 -24.040 4.74 0.286 0.733 0.188 1.020 263.170 250.000 7.383 0 - 180000 36000.00 20.079 -55.242 -35.163 3.31 0.286 0.733 0.221 1.310 182.167 250.000 7.250 0 - 190000 38000.00 27.102 -55.310 -28.207 3.68 0.357 0.615 0.325 1.400 245.885 250.000 6.649 0 - 200000 40000.00 24.046 -51.481 -27.434 3.96 0.429 0.625 0.287 1.642 218.159 250.000 6.803 0 - 210000 42000.00 30.307 -50.581 -20.274 4.02 0.357 0.615 0.245 1.449 274.961 250.000 7.091 0 - 220000 44000.00 22.160 -55.691 -33.531 4.21 0.357 0.688 0.335 0.735 201.046 250.000 6.494 0 - 230000 46000.00 27.136 -56.699 -29.563 3.62 0.286 0.667 0.197 1.627 246.194 250.000 6.909 0 - 240000 48000.00 20.611 -59.699 -39.088 6.47 0.357 0.688 0.250 1.473 186.993 250.000 7.027 0 - 250000 50000.00 29.053 -49.166 -20.113 5.84 0.286 0.556 0.202 1.861 263.584 250.000 6.895 0 - 260000 52000.00 28.628 -50.922 -22.294 5.18 0.286 0.692 0.297 1.012 259.727 250.000 6.573 0 - 270000 54000.00 26.331 -49.343 -23.012 4.89 0.214 0.786 0.334 1.352 238.890 250.000 6.673 0 - 280000 56000.00 20.639 -57.677 -37.039 5.36 0.214 0.824 0.414 1.631 187.247 250.000 6.407 0 - 290000 58000.00 25.196 -48.130 -22.934 4.49 0.429 0.571 0.256 0.947 228.589 250.000 6.771 0 - 300000 60000.00 23.190 -52.209 -29.019 4.28 0.500 0.500 0.279 1.821 210.394 250.000 6.859 0 - 310000 62000.00 26.226 -47.246 -21.021 5.25 0.286 0.556 0.247 1.826 237.934 250.000 6.556 0 - 320000 64000.00 24.155 -54.393 -30.238 4.31 0.286 0.750 0.307 1.188 219.144 250.000 6.574 0 - 330000 66000.00 24.844 -58.698 -33.854 5.12 0.214 0.800 0.285 1.289 225.398 250.000 6.597 0 - 340000 68000.00 23.048 -54.865 -31.817 4.34 0.143 0.833 0.352 1.282 209.103 250.000 6.579 0 - 350000 70000.00 16.822 -51.434 -34.612 4.53 0.286 0.692 0.343 0.587 152.616 250.000 6.858 0 - 360000 72000.00 18.996 -52.792 -33.796 4.09 0.286 0.667 0.284 1.778 172.343 250.000 6.792 0 - 370000 74000.00 23.858 -45.786 -21.928 5.11 0.143 0.846 0.248 2.692 216.449 250.000 6.742 0 - 380000 76000.00 28.908 -56.890 -27.982 4.64 0.214 0.786 0.312 1.493 262.269 250.000 6.699 0 - 390000 78000.00 25.321 -55.885 -30.565 4.37 0.286 0.750 0.344 1.847 229.721 250.000 6.917 0 - 400000 80000.00 27.887 -53.964 -26.078 4.69 0.143 0.875 0.290 0.964 253.003 250.000 6.602 0 - 410000 82000.00 28.793 -28.785 0.007 4.68 0.357 0.444 0.192 1.592 261.222 270.000 7.663 0 - 420000 84000.00 27.958 -40.523 -12.565 3.96 0.357 0.545 0.256 1.453 253.649 270.000 7.076 0 - 430000 86000.00 21.669 -43.745 -22.076 4.16 0.214 0.727 0.306 1.725 196.593 270.000 6.859 0 - 440000 88000.00 31.673 -50.591 -18.917 4.70 0.214 0.842 0.330 2.567 287.358 270.000 6.495 0 - 450000 90000.00 31.590 -38.510 -6.920 3.72 0.214 0.727 0.236 1.745 286.604 270.000 7.350 0 - 460000 92000.00 25.294 -50.552 -25.258 2.21 0.429 0.250 0.250 1.956 229.480 270.000 6.743 0 - 470000 94000.00 26.116 -46.295 -20.179 4.85 0.286 0.556 0.187 0.828 236.939 270.000 8.008 0 - 480000 96000.00 30.187 -51.128 -20.941 5.87 0.357 0.667 0.230 1.596 273.871 270.000 7.585 0 - 490000 98000.00 19.496 -47.233 -27.737 5.06 0.286 0.692 0.294 1.768 176.877 270.000 6.940 0 - 500000 100000.00 22.737 -33.931 -11.194 3.36 0.214 0.786 0.354 1.531 206.279 270.000 6.682 0 - 510000 102000.00 22.163 -22.531 -0.368 6.25 0.214 0.500 0.167 1.815 201.074 290.000 8.705 0 - 520000 104000.00 26.957 -35.265 -8.308 4.56 0.286 0.636 0.372 1.079 244.566 290.000 6.534 0 - 530000 106000.00 31.231 -35.649 -4.418 3.75 0.143 0.800 0.245 2.734 283.344 290.000 7.445 0 - 540000 108000.00 25.541 -35.150 -9.609 5.33 0.143 0.500 0.205 2.500 231.725 290.000 7.091 0 - 550000 110000.00 32.027 -37.257 -5.230 5.44 0.143 0.846 0.301 0.632 290.569 290.000 6.838 0 - 560000 112000.00 36.437 -24.020 12.416 3.48 0.286 0.556 0.202 1.268 330.572 290.000 7.483 0 - 570000 114000.00 30.177 -34.749 -4.572 4.52 0.214 0.727 0.314 2.406 273.782 290.000 6.723 0 - 580000 116000.00 24.205 -34.089 -9.884 5.41 0.143 0.800 0.223 2.466 219.600 290.000 7.774 0 - 590000 118000.00 37.948 -32.553 5.395 6.11 0.214 0.700 0.218 1.548 344.283 290.000 7.410 0 - 600000 120000.00 32.353 -26.638 5.715 7.31 0.214 0.700 0.209 1.787 293.523 290.000 7.458 0 - 610000 122000.00 25.161 -25.394 -0.233 8.14 0.071 0.833 0.159 2.320 228.270 290.000 9.525 0 - 620000 124000.00 25.347 -11.529 13.818 9.67 0.071 0.500 0.182 1.295 229.960 290.000 13.633 0 - 630000 126000.00 29.937 -26.386 3.551 3.99 0.357 0.545 0.260 2.125 271.603 290.000 8.532 0 - 640000 128000.00 26.709 -26.243 0.466 5.29 0.214 0.700 0.436 2.475 242.316 290.000 8.445 0 - 650000 130000.00 28.225 -27.727 0.498 4.64 0.357 0.444 0.434 3.242 256.067 290.000 8.355 0 - 660000 132000.00 32.636 -20.694 11.942 6.35 0.071 0.889 0.369 1.922 296.092 290.000 6.905 0 - 670000 134000.00 26.726 -22.725 4.001 6.14 0.143 0.778 0.247 1.144 242.473 290.000 7.550 0 - 680000 136000.00 29.615 -18.651 10.964 6.59 0.143 0.818 0.355 1.393 268.682 290.000 6.615 0 - 690000 138000.00 30.459 -30.855 -0.397 4.54 0.071 0.800 0.309 1.564 276.339 290.000 7.475 0 - 700000 140000.00 34.443 -28.836 5.607 4.45 0.143 0.750 0.250 1.692 312.486 290.000 7.599 0 - 710000 142000.00 20.867 -30.998 -10.131 5.67 0.214 0.571 0.234 1.687 189.315 290.000 7.096 0 - 720000 144000.00 31.498 -26.475 5.023 4.37 0.286 0.636 0.364 1.665 285.764 290.000 7.098 0 - 730000 146000.00 31.210 -33.302 -2.092 4.16 0.214 0.700 0.250 2.250 283.152 290.000 7.426 0 - 740000 148000.00 24.315 -25.543 -1.228 7.71 0.214 0.500 0.167 1.068 220.600 290.000 9.711 0 - 750000 150000.00 30.750 -34.265 -3.514 4.40 0.286 0.500 0.182 0.889 278.982 290.000 8.403 0 - 760000 152000.00 25.630 -26.511 -0.882 4.28 0.214 0.769 0.392 1.194 232.526 290.000 6.781 0 - 770000 154000.00 23.752 -32.452 -8.701 6.52 0.143 0.750 0.170 1.000 215.488 290.000 8.671 0 - 780000 156000.00 24.527 -29.356 -4.830 5.07 0.143 0.600 0.209 1.766 222.519 290.000 7.205 0 - 790000 158000.00 26.831 -36.549 -9.718 5.59 0.357 0.643 0.282 1.984 243.424 290.000 6.973 0 - 800000 160000.00 32.071 -26.555 5.516 5.47 0.214 0.727 0.388 2.010 290.963 290.000 7.373 0 - 810000 162000.00 21.476 -27.358 -5.882 6.72 0.143 0.750 0.182 2.464 194.841 290.000 11.053 0 - 820000 164000.00 28.302 -35.788 -7.486 4.40 0.357 0.444 0.187 1.336 256.766 290.000 7.740 0 - 830000 166000.00 31.136 -22.992 8.144 4.00 0.357 0.444 0.278 1.097 282.482 290.000 7.045 0 - 840000 168000.00 26.081 -28.295 -2.213 3.20 0.143 0.818 0.343 1.830 236.625 290.000 7.242 0 - 850000 170000.00 31.286 -37.662 -6.376 3.38 0.429 0.571 0.312 1.742 283.845 290.000 6.817 0 - 860000 172000.00 29.727 -33.493 -3.766 3.56 0.429 0.600 0.312 1.352 269.700 290.000 6.926 0 - 870000 174000.00 30.274 -39.174 -8.900 3.77 0.286 0.500 0.409 1.517 274.661 290.000 7.275 0 - 880000 176000.00 32.128 -27.984 4.144 2.71 0.286 0.429 0.214 1.345 291.478 290.000 7.113 0 - 890000 178000.00 25.998 -39.253 -13.255 3.68 0.357 0.643 0.315 1.441 235.864 290.000 7.567 0 - 900000 180000.00 29.490 -35.058 -5.567 4.25 0.357 0.583 0.284 1.896 267.550 290.000 7.312 0 - 910000 182000.00 27.832 -36.696 -8.864 3.71 0.214 0.700 0.336 1.654 252.510 280.000 7.036 0 - 920000 184000.00 22.944 -34.388 -11.443 5.98 0.286 0.556 0.177 0.940 208.162 280.000 7.942 0 - 930000 186000.00 23.799 -35.282 -11.483 4.61 0.214 0.786 0.354 2.286 215.915 280.000 6.477 0 - 940000 188000.00 30.548 -41.822 -11.274 3.34 0.214 0.727 0.285 0.815 277.143 280.000 6.567 0 - 950000 190000.00 29.530 -32.786 -3.256 3.22 0.214 0.786 0.409 2.734 267.915 280.000 6.854 0 - 960000 192000.00 28.083 -41.526 -13.443 3.24 0.214 0.700 0.300 1.499 254.784 280.000 6.448 0 - 970000 194000.00 30.980 -42.226 -11.246 2.43 0.500 0.533 0.279 1.477 281.070 280.000 6.598 0 - 980000 196000.00 33.068 -34.869 -1.801 3.00 0.286 0.692 0.280 1.799 300.010 280.000 7.131 0 - 990000 198000.00 25.464 -28.671 -3.206 3.61 0.286 0.600 0.314 3.336 231.027 280.000 7.164 0 - 1000000 200000.00 28.743 -32.893 -4.151 4.35 0.071 0.909 0.331 1.848 260.770 280.000 7.480 0 + 0 0.00 26.352 22.641 48.993 12.87 0.000 NaN NaN 0.959 239.075 250.000 15.552 0 + 10000 2000.00 23.493 -64.018 -40.525 2.25 0.214 0.786 0.263 1.504 213.141 250.000 6.940 0 + 20000 4000.00 35.435 -62.078 -26.642 2.19 0.357 0.643 0.260 1.249 321.486 250.000 6.396 0 + 30000 6000.00 28.681 -51.139 -22.459 4.35 0.286 0.556 0.182 1.932 260.205 250.000 7.468 0 + 40000 8000.00 24.287 -63.390 -39.103 3.06 0.429 0.600 0.230 1.968 220.348 250.000 6.339 0 + 50000 10000.00 25.207 -58.464 -33.257 3.15 0.286 0.667 0.375 1.157 228.691 250.000 6.554 0 + 60000 12000.00 26.473 -63.961 -37.488 3.11 0.357 0.762 0.299 0.842 240.179 250.000 6.222 0 + 70000 14000.00 25.951 -60.289 -34.338 2.88 0.429 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a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB004.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB004.stat index 67c7d47..895b39a 100644 --- a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB004.stat +++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB004.stat @@ -1,101 +1,101 @@ - 0 0.00 25.457 24.969 50.427 12.87 0.000 NaN NaN 0.709 230.962 270.000 15.552 4 - 10000 2000.00 29.422 -40.620 -11.197 2.74 0.286 0.600 0.191 1.493 266.934 270.000 6.842 4 - 20000 4000.00 25.740 -43.944 -18.204 2.42 0.357 0.444 0.278 1.579 233.523 270.000 7.114 4 - 30000 6000.00 32.940 -45.967 -13.028 2.05 0.357 0.615 0.301 1.250 298.846 270.000 6.680 4 - 40000 8000.00 23.544 -32.401 -8.857 2.66 0.357 0.500 0.364 1.133 213.601 270.000 6.653 4 - 50000 10000.00 27.531 -39.629 -12.097 2.05 0.500 0.462 0.301 1.559 249.776 270.000 6.965 4 - 60000 12000.00 20.224 -42.715 -22.491 3.26 0.214 0.625 0.239 1.603 183.486 270.000 7.320 4 - 70000 14000.00 27.694 -38.426 -10.732 2.49 0.357 0.667 0.324 1.428 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226.639 280.000 6.537 7 + 100000 20000.00 26.154 -32.924 -6.770 6.24 0.214 0.667 0.197 1.756 237.282 280.000 7.224 7 + 110000 22000.00 25.580 -45.062 -19.482 5.57 0.214 0.750 0.223 1.287 232.079 280.000 7.659 7 + 120000 24000.00 25.331 -43.363 -18.031 2.06 0.500 0.364 0.194 2.536 229.820 280.000 7.062 7 + 130000 26000.00 26.421 -46.457 -20.035 3.79 0.214 0.786 0.214 1.284 239.709 280.000 6.994 7 + 140000 28000.00 26.246 -47.436 -21.191 1.92 0.643 0.471 0.291 1.822 238.116 280.000 6.701 7 + 150000 30000.00 23.324 -46.620 -23.296 3.56 0.286 0.733 0.294 1.330 211.605 280.000 6.416 7 + 160000 32000.00 23.229 -40.984 -17.755 2.36 0.429 0.538 0.290 1.484 210.744 280.000 6.818 7 + 170000 34000.00 19.514 -48.119 -28.605 2.96 0.429 0.571 0.289 1.600 177.045 280.000 7.012 7 + 180000 36000.00 28.500 -32.652 -4.152 4.17 0.214 0.667 0.192 1.351 258.563 280.000 6.976 7 + 190000 38000.00 25.135 -52.380 -27.246 3.06 0.429 0.538 0.196 0.971 228.035 280.000 7.328 7 + 200000 40000.00 24.985 -52.555 -27.570 1.90 0.643 0.500 0.260 2.285 226.681 280.000 6.605 7 + 210000 42000.00 30.526 -45.196 -14.670 2.92 0.357 0.500 0.195 2.476 276.945 270.000 7.154 7 + 220000 44000.00 26.220 -47.825 -21.604 3.01 0.429 0.500 0.254 2.292 237.883 270.000 6.318 7 + 230000 46000.00 26.416 -51.834 -25.418 2.17 0.500 0.533 0.394 2.684 239.658 270.000 6.832 7 + 240000 48000.00 25.616 -47.408 -21.792 1.97 0.429 0.500 0.261 1.822 232.404 270.000 6.641 7 + 250000 50000.00 34.831 -43.768 -8.937 6.35 0.143 0.800 0.214 1.064 316.006 270.000 7.176 7 + 260000 52000.00 29.011 -54.133 -25.122 4.96 0.357 0.688 0.216 1.700 263.202 270.000 6.901 7 + 270000 54000.00 28.836 -46.610 -17.775 4.93 0.357 0.545 0.182 1.056 261.612 270.000 8.519 7 + 280000 56000.00 23.909 -51.019 -27.109 1.84 0.571 0.529 0.273 3.003 216.917 270.000 6.775 7 + 290000 58000.00 34.745 -53.666 -18.921 2.03 0.571 0.500 0.273 1.501 315.227 270.000 6.780 7 + 300000 60000.00 27.631 -54.624 -26.993 1.85 0.500 0.562 0.290 1.860 250.686 270.000 6.519 7 + 310000 62000.00 24.579 -50.978 -26.399 2.62 0.571 0.500 0.236 1.877 222.989 260.000 6.726 7 + 320000 64000.00 24.122 -50.513 -26.391 2.19 0.357 0.615 0.259 2.465 218.844 260.000 6.771 7 + 330000 66000.00 28.332 -46.704 -18.372 5.29 0.357 0.583 0.197 1.810 257.043 260.000 7.784 7 + 340000 68000.00 26.902 -56.568 -29.665 2.10 0.357 0.583 0.258 0.572 244.072 260.000 6.728 7 + 350000 70000.00 20.256 -46.629 -26.373 2.79 0.429 0.500 0.193 1.157 183.774 260.000 6.963 7 + 360000 72000.00 32.463 -55.435 -22.972 1.88 0.571 0.556 0.275 1.460 294.525 260.000 6.390 7 + 370000 74000.00 31.914 -48.497 -16.583 3.71 0.214 0.667 0.273 1.427 289.544 260.000 7.964 7 + 380000 76000.00 39.890 -58.244 -18.354 3.16 0.429 0.600 0.218 1.844 361.904 260.000 7.082 7 + 390000 78000.00 16.090 -59.256 -43.165 3.08 0.214 0.769 0.343 1.415 145.981 260.000 6.816 7 + 400000 80000.00 22.897 -58.914 -36.017 3.12 0.357 0.706 0.356 0.965 207.733 260.000 6.992 7 + 410000 82000.00 18.758 -63.277 -44.519 3.44 0.357 0.706 0.289 1.198 170.184 250.000 6.920 7 + 420000 84000.00 23.780 -56.219 -32.439 3.50 0.214 0.769 0.276 1.564 215.742 250.000 7.156 7 + 430000 86000.00 24.380 -64.629 -40.249 2.87 0.357 0.667 0.312 1.386 221.190 250.000 6.701 7 + 440000 88000.00 24.203 -59.560 -35.357 3.25 0.429 0.647 0.270 1.265 219.578 250.000 6.663 7 + 450000 90000.00 26.706 -63.957 -37.251 2.95 0.429 0.600 0.291 1.900 242.290 250.000 6.802 7 + 460000 92000.00 25.434 -62.256 -36.822 3.25 0.429 0.647 0.321 1.144 230.748 250.000 6.797 7 + 470000 94000.00 21.467 -61.433 -39.966 3.69 0.500 0.588 0.235 0.864 194.760 250.000 7.105 7 + 480000 96000.00 25.642 -67.320 -41.678 3.33 0.357 0.667 0.248 2.331 232.636 250.000 6.826 7 + 490000 98000.00 25.448 -62.297 -36.850 2.87 0.286 0.636 0.314 1.391 230.873 250.000 7.082 7 + 500000 100000.00 26.862 -64.609 -37.747 2.97 0.429 0.684 0.297 1.204 243.703 250.000 6.696 7 + 510000 102000.00 25.749 -62.368 -36.619 3.27 0.357 0.706 0.321 2.461 233.609 250.000 6.832 7 + 520000 104000.00 29.856 -61.829 -31.973 3.35 0.429 0.647 0.283 1.674 270.870 250.000 6.670 7 + 530000 106000.00 23.195 -48.721 -25.527 3.24 0.286 0.600 0.200 3.288 210.435 250.000 7.417 7 + 540000 108000.00 24.546 -64.465 -39.919 2.80 0.429 0.625 0.312 2.145 222.695 250.000 6.711 7 + 550000 110000.00 24.773 -68.327 -43.554 3.21 0.429 0.625 0.284 0.906 224.752 250.000 6.892 7 + 560000 112000.00 19.008 -60.504 -41.496 2.90 0.500 0.588 0.275 3.100 172.452 250.000 6.582 7 + 570000 114000.00 30.419 -58.396 -27.977 3.17 0.357 0.615 0.203 3.203 275.980 250.000 6.913 7 + 580000 116000.00 25.025 -62.359 -37.334 3.05 0.286 0.692 0.266 1.035 227.040 250.000 6.862 7 + 590000 118000.00 27.674 -58.983 -31.309 2.57 0.571 0.429 0.295 2.611 251.074 250.000 6.828 7 + 600000 120000.00 35.451 -65.168 -29.717 3.15 0.429 0.571 0.234 2.699 321.625 250.000 6.878 7 + 610000 122000.00 24.146 -51.351 -27.204 2.78 0.357 0.545 0.256 1.711 219.068 260.000 7.259 7 + 620000 124000.00 23.574 -59.656 -36.082 4.52 0.357 0.667 0.236 1.146 213.874 260.000 6.668 7 + 630000 126000.00 23.441 -54.612 -31.170 4.11 0.214 0.667 0.232 2.239 212.672 260.000 6.641 7 + 640000 128000.00 22.802 -57.517 -34.715 3.46 0.286 0.733 0.303 1.759 206.869 260.000 6.950 7 + 650000 130000.00 33.300 -52.344 -19.044 4.48 0.143 0.833 0.201 1.557 302.114 260.000 7.078 7 + 660000 132000.00 30.350 -54.535 -24.185 4.22 0.286 0.667 0.398 1.155 275.349 260.000 6.705 7 + 670000 134000.00 25.481 -46.496 -21.015 6.61 0.286 0.500 0.165 3.553 231.178 260.000 8.153 7 + 680000 136000.00 24.564 -55.013 -30.450 2.57 0.500 0.650 0.345 1.800 222.854 260.000 6.398 7 + 690000 138000.00 27.799 -53.988 -26.189 5.23 0.429 0.571 0.188 2.183 252.211 260.000 7.691 7 + 700000 140000.00 23.689 -48.234 -24.545 2.74 0.357 0.545 0.281 4.174 214.917 260.000 6.589 7 + 710000 142000.00 25.900 -47.036 -21.135 2.10 0.429 0.538 0.206 1.561 234.981 270.000 7.092 7 + 720000 144000.00 26.557 -56.234 -29.677 2.71 0.214 0.727 0.248 2.389 240.939 270.000 6.518 7 + 730000 146000.00 29.131 -56.347 -27.215 2.25 0.429 0.571 0.279 2.235 264.295 270.000 6.673 7 + 740000 148000.00 28.303 -47.923 -19.620 3.56 0.357 0.667 0.312 1.206 256.777 270.000 6.758 7 + 750000 150000.00 25.804 -59.124 -33.320 2.36 0.357 0.615 0.224 2.298 234.109 270.000 6.936 7 + 760000 152000.00 26.325 -52.653 -26.328 2.79 0.286 0.556 0.268 1.236 238.834 270.000 7.013 7 + 770000 154000.00 24.194 -56.459 -32.265 3.50 0.500 0.533 0.291 0.974 219.498 270.000 6.708 7 + 780000 156000.00 25.060 -46.398 -21.338 2.33 0.357 0.667 0.252 2.627 227.357 270.000 6.720 7 + 790000 158000.00 22.238 -55.132 -32.894 7.06 0.214 0.727 0.244 1.529 201.758 270.000 7.314 7 + 800000 160000.00 23.880 -41.976 -18.097 5.12 0.429 0.600 0.282 1.699 216.648 270.000 6.821 7 + 810000 162000.00 24.792 -50.055 -25.263 4.95 0.143 0.875 0.261 1.829 224.928 270.000 6.595 7 + 820000 164000.00 26.936 -48.517 -21.581 4.52 0.286 0.692 0.325 1.148 244.373 270.000 6.728 7 + 830000 166000.00 26.885 -49.419 -22.534 5.77 0.214 0.750 0.288 2.292 243.918 270.000 7.213 7 + 840000 168000.00 31.052 -46.214 -15.162 5.51 0.286 0.636 0.273 1.198 281.722 270.000 6.604 7 + 850000 170000.00 27.373 -57.392 -30.019 5.18 0.214 0.812 0.341 1.970 248.343 270.000 6.598 7 + 860000 172000.00 26.250 -46.081 -19.831 6.91 0.071 0.923 0.245 1.608 238.156 270.000 6.837 7 + 870000 174000.00 31.637 -42.495 -10.858 1.81 0.571 0.429 0.231 2.181 287.029 270.000 6.655 7 + 880000 176000.00 30.643 -47.801 -17.159 3.04 0.357 0.688 0.349 1.846 278.007 270.000 6.232 7 + 890000 178000.00 20.144 -37.446 -17.302 3.37 0.429 0.538 0.301 2.323 182.755 270.000 6.574 7 + 900000 180000.00 31.630 -47.572 -15.942 3.14 0.357 0.667 0.415 2.610 286.964 270.000 6.657 7 + 910000 182000.00 26.854 -45.401 -18.547 1.83 0.571 0.429 0.305 2.021 243.630 270.000 6.675 7 + 920000 184000.00 22.237 -50.000 -27.763 2.90 0.429 0.625 0.335 1.405 201.741 270.000 6.501 7 + 930000 186000.00 23.567 -60.660 -37.093 2.78 0.357 0.667 0.315 1.716 213.808 270.000 6.166 7 + 940000 188000.00 23.614 -46.901 -23.287 2.28 0.571 0.385 0.248 2.116 214.240 270.000 7.106 7 + 950000 190000.00 27.132 -56.449 -29.316 1.86 0.500 0.500 0.286 1.028 246.156 270.000 7.121 7 + 960000 192000.00 26.841 -34.468 -7.627 2.66 0.429 0.538 0.262 1.998 243.513 270.000 6.523 7 + 970000 194000.00 21.125 -54.337 -33.213 2.09 0.429 0.625 0.259 1.077 191.653 270.000 6.526 7 + 980000 196000.00 28.082 -57.108 -29.026 3.22 0.357 0.643 0.240 1.830 254.773 270.000 6.883 7 + 990000 198000.00 26.747 -53.195 -26.448 3.36 0.571 0.556 0.321 2.785 242.665 270.000 6.160 7 + 1000000 200000.00 23.884 -55.816 -31.933 2.70 0.429 0.684 0.294 2.294 216.685 270.000 6.393 7 diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_MD000.cx b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_MD000.cx index 41fd365..a8b9a44 100644 Binary files a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_MD000.cx and b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_MD000.cx differ diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_mremd.rst b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_mremd.rst index ceb9f11..0d9552a 100644 Binary files a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_mremd.rst and b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_mremd.rst differ diff --git a/examples/unres/MREMD/ff_gab/start.mat b/examples/unres/MREMD/ff_gab/start.mat index 48a400a..a84234b 100755 --- a/examples/unres/MREMD/ff_gab/start.mat +++ b/examples/unres/MREMD/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N MREMD-gab +#PBS -N Ber-gab-MREMD #PBS -q dque -#PBS -l nodes=4:ppn=8 -# #PBS -l mem=2gb +#PBS -l nodes=1:ppn=8 #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/MREMD/ff_gab/unres.csh b/examples/unres/MREMD/ff_gab/unres.csh index 68077d8..0221f72 100755 --- a/examples/unres/MREMD/ff_gab/unres.csh +++ b/examples/unres/MREMD/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_MREMD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 index d098b8a..3442311 100644 --- a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 +++ b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_REMD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -170,7 +159,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -302,12 +292,10 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 16 time before 2.343750000000000E-002 + MREMD 8 time before 3.515625000000000E-002 NREP= 16 - i2rep 1 2 3 4 5 6 7 8 9 10 - 11 12 13 14 15 16 - i2set 1 1 1 1 1 1 1 1 1 1 - 1 1 1 1 1 1 + i2rep 1 2 3 4 5 6 7 8 + i2set 1 1 1 1 1 1 1 1 i,j,il,il1,i_index(i,j,il,il1) ifirst 1 nupa 1: 2 @@ -326,22 +314,6 @@ ndowna 6: 5 ndowna 7: 6 nupa 8: 9 ndowna 8: 7 - nupa 9: 10 -ndowna 9: 8 - nupa 10: 11 -ndowna 10: 9 - nupa 11: 12 -ndowna 11: 10 - nupa 12: 13 -ndowna 12: 11 - nupa 13: 14 -ndowna 13: 12 - nupa 14: 15 -ndowna 14: 13 - nupa 15: 16 -ndowna 15: 14 - nupa 16: -ndowna 16: 15 REMD Temperature: 250.00000 ====================MD calculation start==================== Initial velocities randomly generated @@ -371,7 +343,7 @@ ndowna 16: 15 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 + 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017 alpha-carbon coordinates centroid coordinates @@ -411,2906 +383,2567 @@ TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 -GLY 11 3.800 90.000 180.000 0.000 180.000 180.000 -GLY 12 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 11 3.800 90.000 180.000 0.000 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 -GLY 16 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 16 3.800 90.000 180.000 0.000 0.000 180.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 -D 22 3.800 90.000 180.000 0.000 180.000 180.000 +D 22 3.800 90.000 180.000 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p) -EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending) -ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional) -ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local) -ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order) -ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 2.499553E+01 (total) +ETOT= 2.264125E+01 (total) Initial: Kinetic energy 2.63515E+01 - potential energy 2.49955E+01 - total energy 5.13470E+01 + potential energy 2.26412E+01 + total energy 4.89928E+01 - maximum acceleration 7.10627E-01 + maximum acceleration 9.59318E-01 - Setup time 6.250000000000000E-002 - acceleration/energy drift too large 6.01872884623843 - 20.2592193941127 split increased to 2 itime 139 + Setup time 4.687500000000000E-002 + acceleration/energy drift too large 5.52096223627373 + 30.2576481198290 split increased to 2 itime 776 itsplit 1 - acceleration/energy drift too large 5.27112114968694 - 24.5947094282993 split increased to 2 itime 811 + acceleration/energy drift too large 6.12996191669062 + 32.7489836221582 split increased to 2 itime 1557 itsplit 1 - acceleration/energy drift too large 4.11749741993015 - 10.0233573756981 split increased to 2 itime 812 + acceleration/energy drift too large 1.61312447719228 + 12.8203730755910 split increased to 2 itime 1558 itsplit 1 - acceleration/energy drift too large 6.78156239205624 - 46.6376162381685 split increased to 2 itime 1036 + acceleration/energy drift too large 4.83988204146452 + 26.1575411467794 split increased to 2 itime 1882 itsplit 1 - acceleration/energy drift too large 9.31079499697821 - 31.7226708145899 split increased to 2 itime 2891 + acceleration/energy drift too large 5.31757823843249 + 12.4132005220493 split increased to 2 itime 2744 itsplit 1 - acceleration/energy drift too large 6.21988967563635 - 16.7074784854902 split increased to 2 itime 3759 + acceleration/energy drift too large 7.48441836177942 + 25.8427082755808 split increased to 2 itime 2746 itsplit 1 - acceleration/energy drift too large 1.80361188606243 - 12.1415737284860 split increased to 2 itime 4945 + acceleration/energy drift too large 5.35377496364137 + 20.9663754072443 split increased to 2 itime 3003 itsplit 1 - acceleration/energy drift too large 5.12402735643209 - 29.4650551506901 split increased to 2 itime 5095 + acceleration/energy drift too large 5.50794024693835 + 25.0973051653464 split increased to 2 itime 3683 itsplit 1 - acceleration/energy drift too large 2.83404312115991 - 14.2652706563271 split increased to 2 itime 5279 + acceleration/energy drift too large 3.93695275049900 + 14.1563168146069 split increased to 2 itime 4070 itsplit 1 - acceleration/energy drift too large 3.34004923031108 - 13.9147219048335 split increased to 2 itime 5456 + acceleration/energy drift too large 3.16855002137921 + 10.4425934720914 split increased to 2 itime 4336 itsplit 1 - acceleration/energy drift too large 3.94199203323793 - 14.7105414366802 split increased to 2 itime 5684 + acceleration/energy drift too large 3.76534924891489 + 12.4403582429723 split increased to 2 itime 4387 itsplit 1 - acceleration/energy drift too large 4.58176126929386 - 18.9652642544041 split increased to 2 itime 6659 + acceleration/energy drift too large 7.02374296836291 + 22.3132100132628 split increased to 2 itime 4920 itsplit 1 - acceleration/energy drift too large 4.23308137134488 - 20.0605747926315 split increased to 2 itime 7737 + acceleration/energy drift too large 5.35765520601897 + 17.1331535005298 split increased to 2 itime 6240 itsplit 1 - acceleration/energy drift too large 5.69874662777226 - 13.1487157869994 split increased to 2 itime 8176 + acceleration/energy drift too large 5.53265707247039 + 13.2880826398223 split increased to 2 itime 6938 itsplit 1 - acceleration/energy drift too large 8.80799290368255 - 36.1731351413900 split increased to 2 itime 8328 + acceleration/energy drift too large 1.84195209388677 + 11.3077078270368 split increased to 2 itime 7633 itsplit 1 - acceleration/energy drift too large 4.83324003078720 - 10.4766940200828 split increased to 2 itime 8736 + acceleration/energy drift too large 11.2547094213224 + 43.6487677599973 split increased to 2 itime 7655 itsplit 1 - acceleration/energy drift too large 2.74481026144746 - 15.5635977279567 split increased to 2 itime 9154 + acceleration/energy drift too large 2.43312411510038 + 11.0394351026467 split increased to 2 itime 7656 itsplit 1 -Velocities reset to random values, time 1999.80 - acceleration/energy drift too large 14.0404045922975 - 68.7798479910309 split increased to 2 itime 10160 - itsplit 1 - acceleration/energy drift too large 1.50316818806266 - 10.5002113048853 split increased to 2 itime 10590 - itsplit 1 - acceleration/energy drift too large 5.43166515803004 - 13.9130864336143 split increased to 2 itime 11052 - itsplit 1 - acceleration/energy drift too large 4.18833595053208 - 22.5560767264168 split increased to 2 itime 12025 - itsplit 1 - acceleration/energy drift too large 5.05652196479640 - 14.4921485139768 split increased to 2 itime 13325 + acceleration/energy drift too large 4.81803111291750 + 21.0032130702992 split increased to 2 itime 8920 itsplit 1 - acceleration/energy drift too large 4.45939796981960 - 16.5366763212833 split increased to 2 itime 15176 + acceleration/energy drift too large 4.07939616361409 + 10.0790452176611 split increased to 2 itime 9380 itsplit 1 - acceleration/energy drift too large 2.65463078527267 - 16.4090157418096 split increased to 2 itime 16444 +Velocities reset to random values, time 1999.80 + acceleration/energy drift too large 6.66418420870744 + 21.5938845286491 split increased to 2 itime 10016 itsplit 1 - acceleration/energy drift too large 4.83718887683354 - 14.1174528410817 split increased to 2 itime 17097 + acceleration/energy drift too large 3.68095200707226 + 15.5586218340265 split increased to 2 itime 10666 itsplit 1 - acceleration/energy drift too large 6.31119970893411 - 16.8460396165817 split increased to 2 itime 19697 + acceleration/energy drift too large 5.90599793572996 + 13.0354665280818 split increased to 2 itime 11486 itsplit 1 - acceleration/energy drift too large 4.02987312329386 - 10.3471546915559 split increased to 2 itime 19819 + acceleration/energy drift too large 10.9724591435648 + 74.4265540758012 split increased to 2 itime 14539 itsplit 1 - acceleration/energy drift too large 3.99202782706859 - 10.0203344095428 split increased to 2 itime 19834 + acceleration/energy drift too large 2.71641283601661 + 12.1179379049655 split increased to 2 itime 14939 itsplit 1 Velocities reset to random values, time 3999.80 - acceleration/energy drift too large 6.16108168523388 - 17.6884977232375 split increased to 2 itime 22438 - itsplit 1 - acceleration/energy drift too large 2.32814200502473 - 10.4235372979880 split increased to 4 itime 22438 - itsplit 1 - acceleration/energy drift too large 6.04820859670261 - 17.2116778245396 split increased to 2 itime 22949 + acceleration/energy drift too large 10.3473093872846 + 34.5543008831488 split increased to 2 itime 21143 itsplit 1 - acceleration/energy drift too large 9.39321822080475 - 40.3009380499136 split increased to 2 itime 24190 + acceleration/energy drift too large 4.68050809807107 + 14.9223730931786 split increased to 2 itime 22069 itsplit 1 - acceleration/energy drift too large 12.2349397254060 - 65.3702132086642 split increased to 2 itime 25430 + acceleration/energy drift too large 2.18059890033971 + 10.4944818570833 split increased to 2 itime 24403 itsplit 1 - acceleration/energy drift too large 3.56592545350488 - 18.7333147770938 split increased to 2 itime 26054 + acceleration/energy drift too large 4.67257083293288 + 13.5113109246212 split increased to 2 itime 26612 itsplit 1 - acceleration/energy drift too large 4.94539499627627 - 11.7236757967914 split increased to 2 itime 27422 + acceleration/energy drift too large 3.99957559021391 + 11.1625010410242 split increased to 2 itime 27854 itsplit 1 - acceleration/energy drift too large 6.34859604644822 - 15.8808952575016 split increased to 2 itime 28830 - itsplit 1 - acceleration/energy drift too large 7.97849023708925 - 18.7636280341567 split increased to 2 itime 29314 + acceleration/energy drift too large 2.91621212795126 + 10.0823093572567 split increased to 2 itime 28931 itsplit 1 Velocities reset to random values, time 5999.80 - acceleration/energy drift too large 5.71322468319090 - 13.0840605575853 split increased to 2 itime 30269 + acceleration/energy drift too large 4.42898215413087 + 13.4608010060474 split increased to 2 itime 30695 itsplit 1 - acceleration/energy drift too large 6.08204819236797 - 11.5030063880184 split increased to 2 itime 32467 + acceleration/energy drift too large 6.94379103724230 + 12.6426713865156 split increased to 2 itime 31253 itsplit 1 - acceleration/energy drift too large 4.62814684819236 - 15.4269491395818 split increased to 2 itime 33071 + acceleration/energy drift too large 4.62747477734365 + 11.5083593947958 split increased to 2 itime 34085 itsplit 1 - acceleration/energy drift too large 4.70153961675083 - 13.2205867635956 split increased to 2 itime 37548 + acceleration/energy drift too large 4.68897141839130 + 13.8326552337759 split increased to 2 itime 35096 itsplit 1 - acceleration/energy drift too large 4.25311269514877 - 12.1931048233601 split increased to 2 itime 37870 + acceleration/energy drift too large 5.97103225143252 + 16.8958878466461 split increased to 2 itime 36427 itsplit 1 -Velocities reset to random values, time 7999.80 - acceleration/energy drift too large 3.85720530076065 - 10.7533701949358 split increased to 2 itime 40923 + acceleration/energy drift too large 2.83361041343637 + 10.1870138704729 split increased to 2 itime 38962 itsplit 1 - acceleration/energy drift too large 4.70796821872959 - 10.0261038188810 split increased to 2 itime 42324 + acceleration/energy drift too large 5.43761141917189 + 28.6215916436732 split increased to 2 itime 39573 itsplit 1 - acceleration/energy drift too large 3.96818438961114 - 10.8885252102699 split increased to 2 itime 42612 +Velocities reset to random values, time 7999.80 + acceleration/energy drift too large 6.71618202835124 + 21.8484426773590 split increased to 2 itime 40048 itsplit 1 - acceleration/energy drift too large 4.09393162352054 - 11.5790376309746 split increased to 2 itime 43050 + acceleration/energy drift too large 4.78839206313862 + 11.3186039976041 split increased to 2 itime 44667 itsplit 1 - acceleration/energy drift too large 4.11712862523380 - 11.0072201435151 split increased to 2 itime 44766 + acceleration/energy drift too large 5.61549338972115 + 13.7712955586614 split increased to 2 itime 45584 itsplit 1 - acceleration/energy drift too large 2.35382036918792 - 13.3099228493673 split increased to 2 itime 45474 + acceleration/energy drift too large 4.88112923518931 + 18.1839033671836 split increased to 2 itime 47542 itsplit 1 - acceleration/energy drift too large 1.94630935135251 - 10.9177661801165 split increased to 2 itime 46476 + acceleration/energy drift too large 4.18508498426990 + 12.0984587147884 split increased to 2 itime 49978 itsplit 1 - acceleration/energy drift too large 2.06980925461797 - 11.8933888628329 split increased to 2 itime 47581 +Velocities reset to random values, time 9999.80 + acceleration/energy drift too large 4.75712658213339 + 12.8868383152177 split increased to 2 itime 53072 itsplit 1 - acceleration/energy drift too large 9.10461204955003 - 26.4122572834987 split increased to 2 itime 47995 + acceleration/energy drift too large 3.47876306053008 + 13.5970323416962 split increased to 2 itime 53659 itsplit 1 - acceleration/energy drift too large 7.65514960946350 - 16.0520658295329 split increased to 2 itime 48706 + acceleration/energy drift too large 12.5497073475896 + 59.5476242197771 split increased to 2 itime 54295 itsplit 1 - acceleration/energy drift too large 5.00524961909485 - 15.1658758532439 split increased to 2 itime 48825 + acceleration/energy drift too large 2.79298033614550 + 14.6471800667417 split increased to 2 itime 55902 itsplit 1 -Velocities reset to random values, time 9999.80 - acceleration/energy drift too large 4.96256603098756 - 18.3691428119523 split increased to 2 itime 51876 + acceleration/energy drift too large 5.69793261864804 + 29.8524758090115 split increased to 2 itime 56302 itsplit 1 - acceleration/energy drift too large 6.17016796366666 - 21.0175151708704 split increased to 2 itime 53149 + acceleration/energy drift too large 3.99009589011978 + 11.5529703605789 split increased to 2 itime 56569 itsplit 1 - acceleration/energy drift too large 5.29951934386337 - 31.9533628880177 split increased to 2 itime 53272 + acceleration/energy drift too large 10.3352019178341 + 47.4155341563090 split increased to 2 itime 57296 itsplit 1 - acceleration/energy drift too large 4.68375061639108 - 12.7060473695889 split increased to 2 itime 53395 + acceleration/energy drift too large 5.20266465897687 + 25.8988823584993 split increased to 2 itime 57497 itsplit 1 - acceleration/energy drift too large 3.20466394431315 - 19.7717416088959 split increased to 2 itime 53446 + acceleration/energy drift too large 4.11983845869502 + 12.3783760780201 split increased to 2 itime 59062 itsplit 1 - acceleration/energy drift too large 4.85961281423604 - 11.0926402202715 split increased to 2 itime 54681 + acceleration/energy drift too large 11.9920958913642 + 50.6698470165182 split increased to 2 itime 59118 itsplit 1 - acceleration/energy drift too large 4.14153258922024 - 12.0395465482629 split increased to 2 itime 56699 + acceleration/energy drift too large 3.61921495016199 + 21.0327786523077 split increased to 4 itime 59118 itsplit 1 - acceleration/energy drift too large 2.72601920768183 - 12.3525016323719 split increased to 2 itime 58003 + acceleration/energy drift too large 3.79669885939645 + 27.9339931572120 split increased to 2 itime 59398 itsplit 1 - acceleration/energy drift too large 6.55696556129599 - 14.2429255435316 split increased to 2 itime 58834 + acceleration/energy drift too large 2.77673368418901 + 15.6216150622078 split increased to 2 itime 59734 itsplit 1 Velocities reset to random values, time 11999.80 - acceleration/energy drift too large 7.12474949730125 - 22.0427565925556 split increased to 2 itime 61766 - itsplit 1 - acceleration/energy drift too large 4.57337960000594 - 13.0230047455612 split increased to 2 itime 61925 - itsplit 1 - acceleration/energy drift too large 5.02909377016599 - 11.6681422766353 split increased to 2 itime 62314 + acceleration/energy drift too large 11.6977569997741 + 63.2873247084235 split increased to 2 itime 61205 itsplit 1 - acceleration/energy drift too large 6.35545410294304 - 13.7955727228278 split increased to 2 itime 62315 - itsplit 1 - acceleration/energy drift too large 3.84637140197231 - 15.8731664253529 split increased to 2 itime 62390 + acceleration/energy drift too large 2.46975302483821 + 11.7868981408189 split increased to 4 itime 61205 + itsplit 2 + acceleration/energy drift too large 4.53441825631752 + 10.9190885782135 split increased to 2 itime 61359 itsplit 1 - acceleration/energy drift too large 7.51463114258450 - 37.0097708173328 split increased to 2 itime 62628 + acceleration/energy drift too large 4.86699382584374 + 17.0301858457051 split increased to 2 itime 61727 itsplit 1 - acceleration/energy drift too large 2.74527858013029 - 18.5089597227240 split increased to 2 itime 63937 + acceleration/energy drift too large 9.80988749733368 + 42.3732888734135 split increased to 2 itime 62697 itsplit 1 - acceleration/energy drift too large 3.02629594123442 - 15.2557094699447 split increased to 2 itime 67453 + acceleration/energy drift too large 7.85116578210938 + 35.9930639017263 split increased to 2 itime 66455 itsplit 1 - acceleration/energy drift too large 4.88402970109660 - 12.8773440495137 split increased to 2 itime 67756 + acceleration/energy drift too large 4.60912609144356 + 19.3357209928814 split increased to 2 itime 69220 itsplit 1 Velocities reset to random values, time 13999.80 - acceleration/energy drift too large 4.64262254089198 - 12.9253616962702 split increased to 2 itime 70092 + acceleration/energy drift too large 4.55975676190419 + 24.4710192583568 split increased to 2 itime 70260 itsplit 1 - acceleration/energy drift too large 6.53041013165571 - 25.3486436718531 split increased to 2 itime 70359 + acceleration/energy drift too large 7.80846468417423 + 40.3800904563876 split increased to 2 itime 70553 itsplit 1 - acceleration/energy drift too large 7.57807972570140 - 25.2793900559892 split increased to 2 itime 72857 + acceleration/energy drift too large 3.64034174015583 + 11.1920434422640 split increased to 2 itime 70723 itsplit 1 - acceleration/energy drift too large 9.29548902353072 - 42.5960306524631 split increased to 2 itime 72991 + acceleration/energy drift too large 6.41647323325635 + 17.9807285521450 split increased to 2 itime 73456 itsplit 1 - acceleration/energy drift too large 5.75244529897706 - 10.9510885251213 split increased to 2 itime 73642 + acceleration/energy drift too large 5.47215788047627 + 12.4059118011065 split increased to 2 itime 75099 itsplit 1 - acceleration/energy drift too large 11.4395965515086 - 60.0948035321383 split increased to 2 itime 74388 + acceleration/energy drift too large 4.51710859123275 + 27.8246337959767 split increased to 2 itime 76406 itsplit 1 - acceleration/energy drift too large 2.22631705367035 - 11.4713659959425 split increased to 2 itime 76683 + acceleration/energy drift too large 4.73984297887243 + 14.9194988064925 split increased to 2 itime 76872 itsplit 1 - acceleration/energy drift too large 9.84608215173027 - 34.3450966126282 split increased to 2 itime 77552 + acceleration/energy drift too large 6.00920853395200 + 16.1779705288285 split increased to 2 itime 77735 itsplit 1 - acceleration/energy drift too large 4.20929349125431 - 17.9775830371482 split increased to 2 itime 79436 + acceleration/energy drift too large 5.99517005323580 + 13.5412080404750 split increased to 2 itime 78579 itsplit 1 - acceleration/energy drift too large 4.61379006684879 - 20.2989056521177 split increased to 2 itime 79589 + acceleration/energy drift too large 4.09979171532423 + 11.1189570526687 split increased to 2 itime 78581 itsplit 1 -Velocities reset to random values, time 15999.80 - acceleration/energy drift too large 5.50108596343538 - 10.6878119019872 split increased to 2 itime 80008 + acceleration/energy drift too large 4.60921688688787 + 14.6775966561977 split increased to 2 itime 78740 + itsplit 1 + acceleration/energy drift too large 3.73747665057647 + 11.0307445827144 split increased to 2 itime 78959 itsplit 1 - acceleration/energy drift too large 2.37118338977475 - 10.3256968971107 split increased to 2 itime 81194 + acceleration/energy drift too large 5.65573169060239 + 18.0894782004693 split increased to 2 itime 79329 itsplit 1 - acceleration/energy drift too large 4.31667605360844 - 15.2052353631072 split increased to 2 itime 83700 + acceleration/energy drift too large 2.79813940370635 + 11.3110696771280 split increased to 2 itime 79740 itsplit 1 - acceleration/energy drift too large 4.82637085599304 - 23.3381873707151 split increased to 2 itime 84232 + acceleration/energy drift too large 6.86540355807712 + 32.0187502316872 split increased to 2 itime 79913 itsplit 1 - acceleration/energy drift too large 4.96954630655769 - 30.7957769669266 split increased to 2 itime 84269 +Velocities reset to random values, time 15999.80 + acceleration/energy drift too large 7.16413888935177 + 19.9345951368944 split increased to 2 itime 81293 itsplit 1 - acceleration/energy drift too large 3.85455979578227 - 13.9604757007354 split increased to 2 itime 84376 + acceleration/energy drift too large 5.27812212634208 + 10.2693135846209 split increased to 2 itime 82876 itsplit 1 - acceleration/energy drift too large 2.67927691395306 - 12.2165085498758 split increased to 2 itime 86011 + acceleration/energy drift too large 11.9363698049352 + 59.3189559290204 split increased to 2 itime 83141 itsplit 1 - acceleration/energy drift too large 2.91031747948615 - 13.1206077770531 split increased to 2 itime 86348 + acceleration/energy drift too large 6.14705387814686 + 11.0648999977016 split increased to 2 itime 85055 itsplit 1 - acceleration/energy drift too large 6.77072466643258 - 18.4549273126829 split increased to 2 itime 88337 + acceleration/energy drift too large 3.52652014997376 + 12.1125084506798 split increased to 2 itime 88885 itsplit 1 - acceleration/energy drift too large 5.03953151137243 - 12.7177514592325 split increased to 2 itime 89436 + acceleration/energy drift too large 3.31124587517360 + 27.8877432233392 split increased to 2 itime 89949 itsplit 1 Velocities reset to random values, time 17999.80 - acceleration/energy drift too large 2.11777019420856 - 10.7749222926264 split increased to 2 itime 92164 + acceleration/energy drift too large 4.24485277081510 + 10.2516723831682 split increased to 2 itime 95709 itsplit 1 - acceleration/energy drift too large 1.90319180289364 - 10.2714078201419 split increased to 2 itime 94344 + acceleration/energy drift too large 5.97480262204672 + 17.4683720416003 split increased to 2 itime 98117 itsplit 1 - acceleration/energy drift too large 4.49449982744576 - 16.6526232289962 split increased to 2 itime 98465 + acceleration/energy drift too large 5.91600565384317 + 18.3171449176164 split increased to 2 itime 99745 itsplit 1 Velocities reset to random values, time 19999.80 REMD synchro at 100000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 40.7031250000000 0.000000000000000E+000 + REMD gather times= 36.2500000000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 1.00000 1 -ACC 2 260.00000 0.00000 1 -ACC 3 270.00000 1.00000 1 +ACC 1 250.00000 0.00000 1 +ACC 2 260.00000 1.00000 1 +ACC 3 270.00000 0.00000 1 ACC 4 280.00000 1.00000 1 -ACC 5 290.00000 1.00000 1 +ACC 5 290.00000 0.00000 1 ACC 6 300.00000 1.00000 1 ACC 7 310.00000 0.00000 1 -ACC 8 320.00000 1.00000 1 -ACC 9 330.00000 1.00000 1 -ACC 10 340.00000 0.00000 1 -ACC 11 350.00000 1.00000 1 -ACC 12 360.00000 1.00000 1 -ACC 13 370.00000 1.00000 1 -ACC 14 380.00000 1.00000 1 -ACC 15 390.00000 1.00000 1 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 4.35448070508831 - 13.8446433589411 split increased to 2 itime 100323 - itsplit 1 - acceleration/energy drift too large 9.10122520864291 - 38.0141323325797 split increased to 2 itime 103166 - itsplit 1 - acceleration/energy drift too large 7.33321494991676 - 17.4365905621355 split increased to 2 itime 103334 + acceleration/energy drift too large 4.17934371249592 + 10.2087980556613 split increased to 2 itime 101423 itsplit 1 - acceleration/energy drift too large 4.03416178930275 - 14.7407403165802 split increased to 2 itime 104813 + acceleration/energy drift too large 6.71902465393580 + 21.3954448227706 split increased to 2 itime 103088 itsplit 1 - acceleration/energy drift too large 5.07776178961767 - 24.5089488434180 split increased to 2 itime 107051 + acceleration/energy drift too large 4.14212052145930 + 10.2477771121734 split increased to 2 itime 103265 itsplit 1 - acceleration/energy drift too large 5.83433628505584 - 11.0882735379548 split increased to 2 itime 107519 + acceleration/energy drift too large 2.86270849799843 + 16.9928188701110 split increased to 2 itime 106414 itsplit 1 - acceleration/energy drift too large 2.58209681131064 - 16.9909667876258 split increased to 2 itime 107763 + acceleration/energy drift too large 4.53177559730538 + 11.4104194143493 split increased to 2 itime 106443 itsplit 1 - acceleration/energy drift too large 4.83068352453098 - 17.4988377320686 split increased to 2 itime 107878 + acceleration/energy drift too large 4.18378287308024 + 14.5005011242331 split increased to 2 itime 108779 itsplit 1 - acceleration/energy drift too large 4.32781910400729 - 19.6525957626685 split increased to 2 itime 108393 + acceleration/energy drift too large 3.22598315055832 + 12.6610528117019 split increased to 2 itime 108794 itsplit 1 - acceleration/energy drift too large 4.92725474578742 - 27.3936140459521 split increased to 2 itime 108690 + acceleration/energy drift too large 6.46842098075620 + 29.2446490055127 split increased to 2 itime 109179 itsplit 1 - acceleration/energy drift too large 6.04694829592555 - 14.0820008455919 split increased to 2 itime 108824 + acceleration/energy drift too large 7.33198987418711 + 23.8784665864745 split increased to 2 itime 109588 itsplit 1 Velocities reset to random values, time 21999.80 - acceleration/energy drift too large 2.31334984161789 - 11.0510007802944 split increased to 2 itime 113675 - itsplit 1 - acceleration/energy drift too large 9.08574561915987 - 36.2334279426986 split increased to 2 itime 113795 - itsplit 1 - acceleration/energy drift too large 2.85772593867820 - 20.5985997257337 split increased to 2 itime 115172 + acceleration/energy drift too large 12.5936324735008 + 87.4904660594213 split increased to 2 itime 113586 itsplit 1 - acceleration/energy drift too large 5.63586016608634 - 13.3027742623851 split increased to 2 itime 115983 + acceleration/energy drift too large 9.96659194231295 + 46.1392240601901 split increased to 2 itime 116192 itsplit 1 - acceleration/energy drift too large 6.20811917219129 - 16.7692644070182 split increased to 2 itime 117311 + acceleration/energy drift too large 11.8914785394874 + 59.8677405548742 split increased to 2 itime 116349 itsplit 1 - acceleration/energy drift too large 7.62107699311359 - 30.3679961139096 split increased to 2 itime 117654 + acceleration/energy drift too large 5.74898746466435 + 19.5388584806490 split increased to 2 itime 116536 itsplit 1 Velocities reset to random values, time 23999.80 - acceleration/energy drift too large 3.13359422976402 - 16.7704903423790 split increased to 2 itime 122162 + acceleration/energy drift too large 5.27745777452504 + 31.1714351371525 split increased to 2 itime 120098 itsplit 1 - acceleration/energy drift too large 5.39673707607405 - 12.4650082655816 split increased to 2 itime 125438 + acceleration/energy drift too large 3.74543181540312 + 11.4501789286516 split increased to 2 itime 121372 itsplit 1 - acceleration/energy drift too large 5.68067325824305 - 19.5477835104925 split increased to 2 itime 125841 + acceleration/energy drift too large 3.42803679687951 + 10.4959823465339 split increased to 2 itime 122933 itsplit 1 - acceleration/energy drift too large 5.28867228957150 - 12.8872218727007 split increased to 2 itime 126987 + acceleration/energy drift too large 3.49991890383070 + 10.5249566301708 split increased to 2 itime 125013 itsplit 1 - acceleration/energy drift too large 5.23392675566275 - 15.8307586052208 split increased to 2 itime 127635 + acceleration/energy drift too large 1.62769767300833 + 10.2654135133016 split increased to 2 itime 125778 itsplit 1 - acceleration/energy drift too large 4.22226038060222 - 11.4869896794526 split increased to 2 itime 128683 + acceleration/energy drift too large 8.02663035272936 + 28.7121451621578 split increased to 2 itime 127472 + itsplit 1 + acceleration/energy drift too large 5.76835440350828 + 16.2551352006392 split increased to 2 itime 128267 itsplit 1 Velocities reset to random values, time 25999.80 - acceleration/energy drift too large 10.2897108060629 - 47.2655773405908 split increased to 2 itime 131897 + acceleration/energy drift too large 4.26687635787808 + 21.0554157683873 split increased to 2 itime 130149 + itsplit 1 + acceleration/energy drift too large 5.75196353669746 + 21.0282115191182 split increased to 2 itime 131582 itsplit 1 - acceleration/energy drift too large 4.63961305374192 - 19.7877922019811 split increased to 2 itime 132475 + acceleration/energy drift too large 5.71225739264991 + 17.4431655364789 split increased to 2 itime 134927 itsplit 1 - acceleration/energy drift too large 3.79191474848373 - 11.2296364330073 split increased to 2 itime 133469 + acceleration/energy drift too large 5.19150413007089 + 12.5228239503872 split increased to 2 itime 136152 itsplit 1 - acceleration/energy drift too large 5.55808496076198 - 13.0888388315887 split increased to 2 itime 134208 + acceleration/energy drift too large 4.10344093002948 + 10.1974794364621 split increased to 2 itime 136201 itsplit 1 - acceleration/energy drift too large 3.40324385673822 - 10.9946173158140 split increased to 2 itime 135224 + acceleration/energy drift too large 8.33484155957757 + 32.3010736264777 split increased to 2 itime 138680 itsplit 1 - acceleration/energy drift too large 2.40033467565452 - 14.5839349222692 split increased to 2 itime 135587 + acceleration/energy drift too large 9.95247089094314 + 48.7767668973380 split increased to 2 itime 139931 itsplit 1 - acceleration/energy drift too large 2.20051529212891 - 12.1343147458011 split increased to 2 itime 137113 + acceleration/energy drift too large 5.38344665405407 + 14.7640285789114 split increased to 2 itime 139971 itsplit 1 Velocities reset to random values, time 27999.80 - acceleration/energy drift too large 1.51243590564560 - 10.4125643397107 split increased to 2 itime 141421 + acceleration/energy drift too large 6.92454139115629 + 21.1486706765611 split increased to 2 itime 145643 itsplit 1 - acceleration/energy drift too large 2.24851777080701 - 12.8862673504551 split increased to 2 itime 142525 + acceleration/energy drift too large 4.86579607797770 + 10.9031578146394 split increased to 2 itime 145684 itsplit 1 - acceleration/energy drift too large 1.86181300710243 - 11.9943618375029 split increased to 2 itime 143745 + acceleration/energy drift too large 10.4049227474072 + 50.4461596058441 split increased to 2 itime 146872 itsplit 1 - acceleration/energy drift too large 3.34931468736467 - 13.1747705305961 split increased to 2 itime 144553 + acceleration/energy drift too large 9.66912720741505 + 40.2511172663848 split increased to 2 itime 146885 itsplit 1 - acceleration/energy drift too large 5.45961170533437 - 16.3411696913215 split increased to 2 itime 145648 + acceleration/energy drift too large 4.10603477183141 + 10.2592827770631 split increased to 2 itime 147851 itsplit 1 - acceleration/energy drift too large 5.03682432677429 - 13.1728740518157 split increased to 2 itime 147537 + acceleration/energy drift too large 3.32786560673785 + 11.4343977501449 split increased to 2 itime 148254 itsplit 1 - acceleration/energy drift too large 2.94172430796647 - 10.6658719607246 split increased to 2 itime 148657 + acceleration/energy drift too large 7.13366226502833 + 19.3187834113476 split increased to 2 itime 149157 itsplit 1 Velocities reset to random values, time 29999.80 - acceleration/energy drift too large 3.36012645724516 - 18.2415358505736 split increased to 2 itime 150136 - itsplit 1 - acceleration/energy drift too large 4.50367798267562 - 10.9513549551997 split increased to 2 itime 152854 + acceleration/energy drift too large 8.61253430854444 + 27.5853218013283 split increased to 2 itime 150109 itsplit 1 - acceleration/energy drift too large 6.64432852014870 - 23.2809343576262 split increased to 2 itime 154938 + acceleration/energy drift too large 3.70094843167902 + 11.1574520571740 split increased to 2 itime 150644 itsplit 1 - acceleration/energy drift too large 9.68701714425696 - 27.7131509314324 split increased to 2 itime 157526 + acceleration/energy drift too large 9.27954411997396 + 42.8271931527937 split increased to 2 itime 152413 itsplit 1 - acceleration/energy drift too large 5.02180381636210 - 15.2005372941025 split increased to 2 itime 158091 + acceleration/energy drift too large 9.07358342527929 + 39.9592125188052 split increased to 2 itime 152606 itsplit 1 - acceleration/energy drift too large 9.98212667355771 - 40.9197199265875 split increased to 2 itime 158606 + acceleration/energy drift too large 12.3840314146633 + 80.9091265722396 split increased to 2 itime 152976 itsplit 1 - acceleration/energy drift too large 5.92400546526831 - 10.8486740550381 split increased to 2 itime 158607 - itsplit 1 -Velocities reset to random values, time 31999.80 - acceleration/energy drift too large 6.63677126385129 - 13.4519710405256 split increased to 2 itime 161183 + acceleration/energy drift too large 8.03674716703662 + 19.0423791109267 split increased to 2 itime 153496 itsplit 1 - acceleration/energy drift too large 9.02309977671454 - 43.4743141599911 split increased to 2 itime 162685 + acceleration/energy drift too large 10.9441731490924 + 70.7969532343361 split increased to 2 itime 154322 itsplit 1 - acceleration/energy drift too large 10.7477627647307 - 56.5206090523827 split increased to 2 itime 164614 + acceleration/energy drift too large 5.63538934002938 + 16.8810313722527 split increased to 2 itime 155330 itsplit 1 - acceleration/energy drift too large 4.37339566286833 - 11.9320848031680 split increased to 2 itime 164825 + acceleration/energy drift too large 9.12413362358831 + 38.5879973413810 split increased to 2 itime 156278 itsplit 1 - acceleration/energy drift too large 6.31903118179166 - 27.2735446963399 split increased to 2 itime 166474 + acceleration/energy drift too large 3.54884909974270 + 13.7105045875476 split increased to 2 itime 157041 itsplit 1 - acceleration/energy drift too large 9.56855466219324 - 41.3133616825764 split increased to 2 itime 166745 + acceleration/energy drift too large 5.59432418771144 + 21.9515384306560 split increased to 2 itime 157516 itsplit 1 - acceleration/energy drift too large 3.29687662847975 - 10.3954562349500 split increased to 2 itime 167046 + acceleration/energy drift too large 4.62578893816751 + 10.2865537213298 split increased to 2 itime 158062 itsplit 1 - acceleration/energy drift too large 9.29598597418801 - 41.1802372258857 split increased to 2 itime 167521 + acceleration/energy drift too large 4.11565656426364 + 12.0791912207021 split increased to 2 itime 158284 itsplit 1 - acceleration/energy drift too large 2.42206525721097 - 13.4448009896313 split increased to 2 itime 168510 - itsplit 1 - acceleration/energy drift too large 2.55136709205292 - 15.5962530869405 split increased to 2 itime 169889 - itsplit 1 -Velocities reset to random values, time 33999.80 - acceleration/energy drift too large 8.83122990483117 - 22.6521215967247 split increased to 2 itime 170303 - itsplit 1 - acceleration/energy drift too large 9.21009913786138 - 37.6561438646460 split increased to 2 itime 170521 - itsplit 1 - acceleration/energy drift too large 3.48739909254491 - 10.1034471242695 split increased to 2 itime 171396 +Velocities reset to random values, time 31999.80 + acceleration/energy drift too large 7.53829684111133 + 23.7138416238186 split increased to 2 itime 162661 itsplit 1 - acceleration/energy drift too large 6.98696370027955 - 23.8374696957620 split increased to 2 itime 171515 + acceleration/energy drift too large 3.68039447986369 + 10.8493549903618 split increased to 2 itime 163128 itsplit 1 - acceleration/energy drift too large 3.35531610328897 - 10.9981633001393 split increased to 2 itime 171580 + acceleration/energy drift too large 4.73375232142101 + 22.3426085113575 split increased to 2 itime 164229 itsplit 1 - acceleration/energy drift too large 8.07241169933481 - 39.9957178029709 split increased to 2 itime 172646 + acceleration/energy drift too large 4.98108202510207 + 10.2970808837868 split increased to 2 itime 166483 itsplit 1 - acceleration/energy drift too large 3.74425066749434 - 10.7421718827410 split increased to 2 itime 173898 + acceleration/energy drift too large 2.38771188924716 + 12.4938234695248 split increased to 2 itime 169248 itsplit 1 - acceleration/energy drift too large 4.09077031120363 - 20.4138189459720 split increased to 2 itime 174085 + acceleration/energy drift too large 6.03612678738474 + 14.7485673123609 split increased to 2 itime 169388 itsplit 1 - acceleration/energy drift too large 6.26747919763318 - 19.3655660658169 split increased to 2 itime 174385 + acceleration/energy drift too large 4.81614016976549 + 13.3459720364540 split increased to 2 itime 169904 itsplit 1 - acceleration/energy drift too large 5.12079076084499 - 19.8211658321753 split increased to 2 itime 174408 +Velocities reset to random values, time 33999.80 + acceleration/energy drift too large 11.1863120783663 + 59.7648057491176 split increased to 2 itime 170272 itsplit 1 - acceleration/energy drift too large 11.6070059234368 - 56.7944264555530 split increased to 2 itime 174542 + acceleration/energy drift too large 4.22635634892026 + 12.4173810129555 split increased to 2 itime 171250 itsplit 1 - acceleration/energy drift too large 5.64271108431878 - 16.1575599927218 split increased to 2 itime 177089 + acceleration/energy drift too large 6.51075905485718 + 29.3370933336613 split increased to 2 itime 172422 itsplit 1 - acceleration/energy drift too large 5.92551738900429 - 26.4343943067627 split increased to 2 itime 177561 + acceleration/energy drift too large 3.72436301158339 + 13.1813497433787 split increased to 2 itime 175901 itsplit 1 - acceleration/energy drift too large 4.99199180829665 - 13.7084327060582 split increased to 2 itime 177843 + acceleration/energy drift too large 6.49242466246178 + 22.4643419565737 split increased to 2 itime 177269 itsplit 1 - acceleration/energy drift too large 4.32576336099416 - 12.1621048922766 split increased to 2 itime 178120 + acceleration/energy drift too large 4.84403091443775 + 11.9269929781721 split increased to 2 itime 177607 itsplit 1 - acceleration/energy drift too large 4.94170430783359 - 11.9934943440670 split increased to 2 itime 178559 + acceleration/energy drift too large 5.45918271497128 + 14.6298238815097 split increased to 2 itime 178006 itsplit 1 - acceleration/energy drift too large 4.63063674500056 - 15.2037357814957 split increased to 2 itime 179629 + acceleration/energy drift too large 2.47703475420302 + 13.0691738661979 split increased to 2 itime 178182 itsplit 1 Velocities reset to random values, time 35999.80 - acceleration/energy drift too large 2.40543951143176 - 13.6095987658594 split increased to 2 itime 183487 + acceleration/energy drift too large 2.15267743115097 + 10.1387265435545 split increased to 2 itime 180802 itsplit 1 - acceleration/energy drift too large 7.59166874978070 - 16.9312036859759 split increased to 2 itime 185431 + acceleration/energy drift too large 6.00127006621709 + 21.4834057073722 split increased to 2 itime 181683 itsplit 1 - acceleration/energy drift too large 4.73780332337024 - 11.9427673447535 split increased to 2 itime 189811 - itsplit 1 -Velocities reset to random values, time 37999.80 - acceleration/energy drift too large 4.51385244779712 - 13.3188888785989 split increased to 2 itime 190291 + acceleration/energy drift too large 2.97774842526374 + 10.2972718822312 split increased to 2 itime 185454 itsplit 1 - acceleration/energy drift too large 5.43517833888924 - 13.1128761945997 split increased to 2 itime 190475 + acceleration/energy drift too large 8.33842833469842 + 35.4392209638254 split increased to 2 itime 187234 itsplit 1 - acceleration/energy drift too large 6.61543911793257 - 18.7309363335260 split increased to 2 itime 191542 - itsplit 1 - acceleration/energy drift too large 10.2079615199183 - 55.0917389987583 split increased to 2 itime 191713 - itsplit 1 - acceleration/energy drift too large 9.54919131748580 - 53.1830142226373 split increased to 2 itime 193417 - itsplit 1 - acceleration/energy drift too large 5.22498373776129 - 13.9161593831138 split increased to 2 itime 193823 - itsplit 1 - acceleration/energy drift too large 4.90175789355778 - 17.9210202820440 split increased to 2 itime 195121 +Velocities reset to random values, time 37999.80 + acceleration/energy drift too large 2.11847635439945 + 12.5035198858907 split increased to 2 itime 191238 itsplit 1 - acceleration/energy drift too large 5.02477140817033 - 15.0376588234653 split increased to 2 itime 195906 + acceleration/energy drift too large 4.77203498579132 + 10.4110744029588 split increased to 2 itime 191912 itsplit 1 - acceleration/energy drift too large 7.29923138334724 - 23.1812204832951 split increased to 2 itime 195965 + acceleration/energy drift too large 4.54453027233017 + 10.0356167131970 split increased to 2 itime 196957 itsplit 1 - acceleration/energy drift too large 5.71234101740440 - 28.1120096098226 split increased to 2 itime 196182 + acceleration/energy drift too large 6.68580290496276 + 13.9181720836976 split increased to 2 itime 198376 itsplit 1 Velocities reset to random values, time 39999.80 REMD synchro at 200000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 81.4960937500000 0.000000000000000E+000 + REMD gather times= 71.6328125000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.50000 2 -ACC 2 260.00000 0.00000 2 -ACC 3 270.00000 1.00000 2 +ACC 2 260.00000 0.50000 2 +ACC 3 270.00000 0.50000 2 ACC 4 280.00000 0.50000 2 -ACC 5 290.00000 1.00000 2 +ACC 5 290.00000 0.50000 2 ACC 6 300.00000 1.00000 2 ACC 7 310.00000 0.00000 2 -ACC 8 320.00000 1.00000 2 -ACC 9 330.00000 1.00000 2 -ACC 10 340.00000 0.50000 2 -ACC 11 350.00000 0.50000 2 -ACC 12 360.00000 1.00000 2 -ACC 13 370.00000 1.00000 2 -ACC 14 380.00000 1.00000 2 -ACC 15 390.00000 1.00000 2 - REMD scatter time= 3.906250000000000E-003 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 3.64029108679463 - 11.5808204189943 split increased to 2 itime 200127 - itsplit 1 - acceleration/energy drift too large 7.84893539743313 - 20.2866410836206 split increased to 2 itime 200971 - itsplit 1 - acceleration/energy drift too large 8.61828598982526 - 31.2234501134643 split increased to 2 itime 200991 - itsplit 1 - acceleration/energy drift too large 3.90898684769792 - 12.8182943612382 split increased to 2 itime 201106 - itsplit 1 - acceleration/energy drift too large 4.99620821795401 - 31.4141118797693 split increased to 2 itime 202501 - itsplit 1 - acceleration/energy drift too large 4.11614735585937 - 12.1594147833547 split increased to 2 itime 203548 - itsplit 1 - acceleration/energy drift too large 8.21142321791518 - 27.3137190575929 split increased to 2 itime 203955 - itsplit 1 - acceleration/energy drift too large 4.08842412054590 - 11.4467897768593 split increased to 2 itime 204624 - itsplit 1 - acceleration/energy drift too large 2.91511126819742 - 10.4004748089627 split increased to 2 itime 204625 - itsplit 1 - acceleration/energy drift too large 7.97609970177051 - 17.0341262811947 split increased to 2 itime 206420 - itsplit 1 - acceleration/energy drift too large 3.93332263000041 - 10.8824839165261 split increased to 2 itime 206962 - itsplit 1 - acceleration/energy drift too large 2.11294819353670 - 14.7854318315743 split increased to 2 itime 207256 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 4.28824679374231 + 15.9024345396924 split increased to 2 itime 203955 itsplit 1 - acceleration/energy drift too large 4.44706169021173 - 14.5530567176186 split increased to 2 itime 208568 + acceleration/energy drift too large 11.5070215187700 + 49.0944611940841 split increased to 2 itime 206633 itsplit 1 - acceleration/energy drift too large 5.01020364970164 - 12.6036747656131 split increased to 2 itime 208643 + acceleration/energy drift too large 4.25420846851809 + 19.2618974919655 split increased to 2 itime 208677 itsplit 1 Velocities reset to random values, time 41999.80 - acceleration/energy drift too large 5.78150176725295 - 33.3137796486345 split increased to 2 itime 212347 + acceleration/energy drift too large 4.42756160603751 + 12.1432104892410 split increased to 2 itime 211054 itsplit 1 - acceleration/energy drift too large 2.48833566613545 - 10.2949905328240 split increased to 2 itime 214105 + acceleration/energy drift too large 3.93803017668554 + 12.9995639284346 split increased to 2 itime 211548 itsplit 1 - acceleration/energy drift too large 3.64618927235946 - 18.7503821421103 split increased to 2 itime 214302 + acceleration/energy drift too large 3.98219757951759 + 11.4387219238157 split increased to 2 itime 211794 itsplit 1 - acceleration/energy drift too large 3.07400599095336 - 11.3383323166579 split increased to 2 itime 215814 + acceleration/energy drift too large 6.74562724450386 + 23.7269067121340 split increased to 2 itime 211853 itsplit 1 - acceleration/energy drift too large 4.42973008487847 - 20.3411262897984 split increased to 2 itime 216252 + acceleration/energy drift too large 3.33375053166125 + 13.4060503272758 split increased to 2 itime 212010 itsplit 1 - acceleration/energy drift too large 5.62920671173806 - 32.2983009905205 split increased to 2 itime 218037 + acceleration/energy drift too large 5.54655824249891 + 13.6861742700047 split increased to 2 itime 212655 itsplit 1 - acceleration/energy drift too large 5.45527892756425 - 21.9773808882954 split increased to 2 itime 219345 + acceleration/energy drift too large 8.65875252931396 + 31.0592471454060 split increased to 2 itime 215653 itsplit 1 - acceleration/energy drift too large 4.15721010187859 - 20.5697747905902 split increased to 2 itime 219966 + acceleration/energy drift too large 2.38868921064322 + 11.8732731355337 split increased to 4 itime 215653 itsplit 1 - acceleration/energy drift too large 5.33603019769579 - 30.3679010229435 split increased to 2 itime 219983 + acceleration/energy drift too large 4.13861739703409 + 15.0393024187417 split increased to 2 itime 216215 itsplit 1 -Velocities reset to random values, time 43999.80 - acceleration/energy drift too large 7.86255698363788 - 24.2910471349705 split increased to 2 itime 221224 - itsplit 1 - acceleration/energy drift too large 4.63244311550015 - 18.0541134191384 split increased to 2 itime 221403 + acceleration/energy drift too large 13.0824596115316 + 87.3487656723842 split increased to 2 itime 216987 itsplit 1 - acceleration/energy drift too large 13.1527124335790 - 77.1748219974411 split increased to 2 itime 222333 + acceleration/energy drift too large 3.68471318880415 + 11.6022525949795 split increased to 2 itime 217361 itsplit 1 - acceleration/energy drift too large 2.56016933409559 - 17.6552737911425 split increased to 2 itime 222334 + acceleration/energy drift too large 4.29742192919371 + 11.8243734314081 split increased to 2 itime 219180 itsplit 1 - acceleration/energy drift too large 7.40887283834941 - 30.7362315013208 split increased to 2 itime 222409 + acceleration/energy drift too large 3.60721449790466 + 23.9150932473967 split increased to 2 itime 219681 itsplit 1 - acceleration/energy drift too large 3.83870075950039 - 13.5024094254713 split increased to 2 itime 222526 +Velocities reset to random values, time 43999.80 + acceleration/energy drift too large 3.33627355546214 + 13.2219234916190 split increased to 2 itime 222420 itsplit 1 - acceleration/energy drift too large 2.97288409075136 - 12.0415711331916 split increased to 2 itime 223341 + acceleration/energy drift too large 3.31828441589017 + 29.9913316610760 split increased to 2 itime 223066 itsplit 1 - acceleration/energy drift too large 4.83229449875740 - 21.6789948138393 split increased to 2 itime 223849 + acceleration/energy drift too large 6.76979229732437 + 21.5348739163739 split increased to 2 itime 223479 itsplit 1 - acceleration/energy drift too large 6.29460704954891 - 45.4627654416730 split increased to 2 itime 224172 + acceleration/energy drift too large 5.16129457674116 + 20.3965539824570 split increased to 2 itime 224693 itsplit 1 - acceleration/energy drift too large 4.41765622249369 - 11.2907156327815 split increased to 2 itime 225102 + acceleration/energy drift too large 5.94345605345744 + 25.0442084158658 split increased to 2 itime 225774 itsplit 1 - acceleration/energy drift too large 4.17195687990816 - 16.4423114033335 split increased to 2 itime 225108 + acceleration/energy drift too large 2.19690875631684 + 10.3337725856093 split increased to 2 itime 226933 itsplit 1 - acceleration/energy drift too large 4.97740142086614 - 10.4943627686938 split increased to 2 itime 228677 + acceleration/energy drift too large 4.91983141507266 + 15.9760155346718 split increased to 2 itime 228380 itsplit 1 Velocities reset to random values, time 45999.80 - acceleration/energy drift too large 4.27127350688728 - 16.0133778665926 split increased to 2 itime 230839 - itsplit 1 - acceleration/energy drift too large 3.84238305207740 - 15.3160425709751 split increased to 2 itime 233269 - itsplit 1 - acceleration/energy drift too large 5.96490424978640 - 35.8849072535118 split increased to 2 itime 233417 - itsplit 1 - acceleration/energy drift too large 0.969965490275774 - 15.0758079154002 split increased to 2 itime 233418 - itsplit 1 - acceleration/energy drift too large 7.37427950936088 - 53.9441579641732 split increased to 2 itime 233886 - itsplit 1 - acceleration/energy drift too large 9.41795446120100 - 46.6923483267551 split increased to 2 itime 234145 - itsplit 1 - acceleration/energy drift too large 5.72509711572049 - 31.9842401234587 split increased to 2 itime 234299 - itsplit 1 - acceleration/energy drift too large 5.04462270994681 - 11.9549114696995 split increased to 2 itime 236561 - itsplit 1 - acceleration/energy drift too large 4.77591180817061 - 15.8503289913584 split increased to 2 itime 236970 - itsplit 1 - acceleration/energy drift too large 9.56031823597878 - 38.5355027802804 split increased to 2 itime 237148 - itsplit 1 - acceleration/energy drift too large 2.55298889382046 - 10.1810238981961 split increased to 4 itime 237148 - itsplit 1 - acceleration/energy drift too large 5.07272249032121 - 16.1665416130016 split increased to 2 itime 237638 - itsplit 1 - acceleration/energy drift too large 5.27519412971984 - 24.3386506952302 split increased to 2 itime 237641 - itsplit 1 - acceleration/energy drift too large 3.76916747155580 - 19.3249777140934 split increased to 2 itime 238007 - itsplit 1 - acceleration/energy drift too large 9.50976115289862 - 35.9477138344235 split increased to 2 itime 238272 - itsplit 1 - acceleration/energy drift too large 8.52032923205173 - 36.0891822567616 split increased to 2 itime 238339 + acceleration/energy drift too large 3.81815743649710 + 22.9885068902762 split increased to 2 itime 232168 itsplit 1 - acceleration/energy drift too large 4.37531723947444 - 28.2163048638802 split increased to 2 itime 238549 + acceleration/energy drift too large 14.6280804283543 + 77.6150816283755 split increased to 2 itime 233797 itsplit 1 - acceleration/energy drift too large 5.83050845840029 - 62.0343502726120 split increased to 2 itime 238652 + acceleration/energy drift too large 4.46407916101272 + 14.0220478447880 split increased to 2 itime 234624 itsplit 1 - acceleration/energy drift too large 2.94147085871858 - 18.3006940499288 split increased to 2 itime 238653 + acceleration/energy drift too large 8.38669704340697 + 30.6877914748705 split increased to 2 itime 237454 itsplit 1 - acceleration/energy drift too large 5.10273834765773 - 13.3326960926028 split increased to 2 itime 238936 + acceleration/energy drift too large 5.83294203262514 + 15.7113320404459 split increased to 2 itime 238225 itsplit 1 - acceleration/energy drift too large 4.23402871458675 - 18.9050545180794 split increased to 2 itime 239782 + acceleration/energy drift too large 5.16593393898979 + 15.0638815553982 split increased to 2 itime 239998 itsplit 1 Velocities reset to random values, time 47999.80 - acceleration/energy drift too large 3.23999938998729 - 12.9551205421106 split increased to 2 itime 240340 + acceleration/energy drift too large 2.60154319186082 + 13.9937996177110 split increased to 2 itime 241531 itsplit 1 - acceleration/energy drift too large 11.2944817033609 - 62.9989006860680 split increased to 2 itime 240342 + acceleration/energy drift too large 10.7411187511044 + 60.8617920579092 split increased to 2 itime 246833 itsplit 1 - acceleration/energy drift too large 3.60501336178358 - 11.5827695216757 split increased to 2 itime 240549 + acceleration/energy drift too large 6.24387015903579 + 15.0026009999250 split increased to 2 itime 247612 itsplit 1 - acceleration/energy drift too large 8.24479107287119 - 24.3249867142891 split increased to 2 itime 240788 - itsplit 1 - acceleration/energy drift too large 5.78210270383508 - 16.4390937845794 split increased to 2 itime 241766 - itsplit 1 - acceleration/energy drift too large 5.38095702852528 - 30.8541250240317 split increased to 2 itime 242631 - itsplit 1 - acceleration/energy drift too large 3.17985646556209 - 10.6175984679630 split increased to 2 itime 242632 - itsplit 1 - acceleration/energy drift too large 5.61402658474446 - 29.2120104128018 split increased to 2 itime 242875 - itsplit 1 - acceleration/energy drift too large 4.43724922702687 - 22.4636384195783 split increased to 2 itime 246160 - itsplit 1 - acceleration/energy drift too large 8.81223496649992 - 108.925008665967 split increased to 2 itime 246191 - itsplit 1 - acceleration/energy drift too large 7.98152961526920 - 30.4264224879624 split increased to 2 itime 247522 + acceleration/energy drift too large 5.68019416880620 + 13.2409009172324 split increased to 2 itime 248111 itsplit 1 Velocities reset to random values, time 49999.80 - acceleration/energy drift too large 5.05546510683783 - 15.9312413868997 split increased to 2 itime 250021 - itsplit 1 - acceleration/energy drift too large 4.52138789692115 - 19.8559420953666 split increased to 2 itime 250499 - itsplit 1 - acceleration/energy drift too large 9.60363704417643 - 41.0002241451348 split increased to 2 itime 250515 - itsplit 1 - acceleration/energy drift too large 6.81843958352194 - 61.9698421949207 split increased to 2 itime 251527 - itsplit 1 - acceleration/energy drift too large 5.01191955199218 - 18.1865685157832 split increased to 2 itime 251799 - itsplit 1 - acceleration/energy drift too large 7.14483123137104 - 20.7932850361492 split increased to 2 itime 252226 - itsplit 1 - acceleration/energy drift too large 5.31798110030693 - 31.6961813232419 split increased to 2 itime 252461 - itsplit 1 - acceleration/energy drift too large 4.15365906319537 - 12.2946056996686 split increased to 2 itime 252486 - itsplit 1 - acceleration/energy drift too large 3.61167752280191 - 10.1913311809426 split increased to 2 itime 252748 - itsplit 1 - acceleration/energy drift too large 4.40362732277444 - 11.6782656860820 split increased to 2 itime 253114 - itsplit 1 - acceleration/energy drift too large 6.18158963135055 - 46.7178019167412 split increased to 2 itime 253512 - itsplit 1 - acceleration/energy drift too large 5.03393247180098 - 11.3332578439481 split increased to 2 itime 253844 - itsplit 1 - acceleration/energy drift too large 5.30979425206005 - 29.1936964522308 split increased to 2 itime 254633 + acceleration/energy drift too large 8.78619142759571 + 31.2519959089914 split increased to 2 itime 254205 itsplit 1 - acceleration/energy drift too large 3.19686669697974 - 12.9021212289249 split increased to 2 itime 254634 + acceleration/energy drift too large 3.85159761224106 + 10.7656417127982 split increased to 2 itime 254594 itsplit 1 - acceleration/energy drift too large 4.79260254924054 - 28.5667905576579 split increased to 2 itime 255478 + acceleration/energy drift too large 9.17368974856211 + 36.4206673556135 split increased to 2 itime 254895 itsplit 1 - acceleration/energy drift too large 4.65602354960583 - 17.7759492210056 split increased to 2 itime 255953 + acceleration/energy drift too large 4.84456685867435 + 13.8725326375493 split increased to 2 itime 255628 itsplit 1 - acceleration/energy drift too large 11.3169090224622 - 161.243959808749 split increased to 2 itime 257193 + acceleration/energy drift too large 6.54801860403636 + 18.1380505630310 split increased to 2 itime 256835 itsplit 1 - acceleration/energy drift too large 8.06907814347340 - 32.2475694627116 split increased to 2 itime 257260 + acceleration/energy drift too large 8.47620465513786 + 26.8763395361816 split increased to 2 itime 257154 itsplit 1 - acceleration/energy drift too large 2.60388286259137 - 12.1280694685579 split increased to 2 itime 259399 - itsplit 1 - acceleration/energy drift too large 6.45796619230735 - 47.5864464837099 split increased to 2 itime 259484 - itsplit 1 - acceleration/energy drift too large 7.94273027558313 - 66.5456672752248 split increased to 2 itime 259959 + acceleration/energy drift too large 6.77275200180386 + 20.3934307444220 split increased to 2 itime 257781 itsplit 1 Velocities reset to random values, time 51999.80 - acceleration/energy drift too large 3.88797891070357 - 26.3442062749857 split increased to 2 itime 260276 - itsplit 1 - acceleration/energy drift too large 6.99349480011820 - 47.7837841253383 split increased to 2 itime 260301 - itsplit 1 - acceleration/energy drift too large 1.57731869998459 - 11.8990813440203 split increased to 4 itime 260301 - itsplit 1 - acceleration/energy drift too large 4.61447338962169 - 22.9151619947389 split increased to 2 itime 260776 - itsplit 1 - acceleration/energy drift too large 7.17899670696612 - 26.4749022442379 split increased to 2 itime 260862 - itsplit 1 - acceleration/energy drift too large 5.46685601351314 - 17.8321954757611 split increased to 2 itime 261818 - itsplit 1 - acceleration/energy drift too large 8.37501437872455 - 89.1916118826271 split increased to 2 itime 262814 - itsplit 1 - acceleration/energy drift too large 5.22467116630451 - 17.0237090007236 split increased to 2 itime 263665 + acceleration/energy drift too large 5.38455873049256 + 18.6281786760858 split increased to 2 itime 260481 itsplit 1 - acceleration/energy drift too large 5.71210911345283 - 21.1408707305939 split increased to 2 itime 263901 + acceleration/energy drift too large 9.39511280682128 + 38.9938405024220 split increased to 2 itime 261950 itsplit 1 - acceleration/energy drift too large 6.10003549896224 - 23.5490643132228 split increased to 2 itime 263994 + acceleration/energy drift too large 12.1890674484274 + 57.8722579331973 split increased to 2 itime 262599 itsplit 1 - acceleration/energy drift too large 8.20268850051587 - 23.1777812019148 split increased to 2 itime 264177 + acceleration/energy drift too large 2.87448492185831 + 13.0565962684112 split increased to 4 itime 262599 itsplit 1 - acceleration/energy drift too large 3.88188908844422 - 13.9856854971536 split increased to 2 itime 264691 + acceleration/energy drift too large 7.13695485613170 + 21.5710000974874 split increased to 2 itime 263935 itsplit 1 - acceleration/energy drift too large 3.59644744767693 - 23.4348027889077 split increased to 2 itime 265041 + acceleration/energy drift too large 7.22276103168808 + 34.4181620907440 split increased to 2 itime 265504 itsplit 1 - acceleration/energy drift too large 5.85747097230420 - 18.3512257605687 split increased to 2 itime 266239 + acceleration/energy drift too large 6.32478469629741 + 23.2737874831383 split increased to 2 itime 266930 itsplit 1 - acceleration/energy drift too large 2.55022222561286 - 12.8061798642678 split increased to 2 itime 268645 + acceleration/energy drift too large 6.84338505557957 + 19.9395841277614 split increased to 2 itime 267639 itsplit 1 - acceleration/energy drift too large 4.49085679966644 - 16.3684860363880 split increased to 2 itime 269570 + acceleration/energy drift too large 4.63024762192930 + 13.7573093042517 split increased to 2 itime 269217 itsplit 1 Velocities reset to random values, time 53999.80 - acceleration/energy drift too large 5.25274366751194 - 18.4603368822076 split increased to 2 itime 270538 + acceleration/energy drift too large 2.25320397614127 + 11.8478041527716 split increased to 2 itime 270220 itsplit 1 - acceleration/energy drift too large 6.23882492153760 - 17.5633522160038 split increased to 2 itime 272608 + acceleration/energy drift too large 7.00685372699434 + 25.9882440028013 split increased to 2 itime 274882 itsplit 1 - acceleration/energy drift too large 3.85640416013364 - 11.2906373571186 split increased to 2 itime 274105 + acceleration/energy drift too large 7.22794474084599 + 25.1829590397158 split increased to 2 itime 275899 itsplit 1 - acceleration/energy drift too large 2.27744594892197 - 12.2783170997514 split increased to 2 itime 274415 + acceleration/energy drift too large 3.65858900880943 + 10.6803027612343 split increased to 2 itime 278246 itsplit 1 - acceleration/energy drift too large 5.47426144025225 - 36.0315271901256 split increased to 2 itime 276125 - itsplit 1 - acceleration/energy drift too large 3.50232950588160 - 19.7353095226570 split increased to 2 itime 276304 - itsplit 1 - acceleration/energy drift too large 8.17273252379029 - 22.0871395331734 split increased to 2 itime 276917 - itsplit 1 - acceleration/energy drift too large 2.69832241928415 - 11.4024695909039 split increased to 2 itime 276920 - itsplit 1 - acceleration/energy drift too large 5.19830199417168 - 19.2870506887228 split increased to 2 itime 278296 - itsplit 1 - acceleration/energy drift too large 4.06193721784993 - 17.8967177753917 split increased to 2 itime 278400 - itsplit 1 - acceleration/energy drift too large 4.76262838690433 - 16.8576361345615 split increased to 2 itime 279030 - itsplit 1 - acceleration/energy drift too large 6.32215556102713 - 18.6070140960166 split increased to 2 itime 279400 + acceleration/energy drift too large 3.17624689500790 + 10.9690809353355 split increased to 2 itime 279502 itsplit 1 Velocities reset to random values, time 55999.80 - acceleration/energy drift too large 9.53183291554470 - 38.8386245693009 split increased to 2 itime 280549 - itsplit 1 - acceleration/energy drift too large 6.25186221347915 - 24.9729745449266 split increased to 2 itime 284519 - itsplit 1 - acceleration/energy drift too large 3.65361022732287 - 16.6195900592584 split increased to 2 itime 285728 + acceleration/energy drift too large 1.79863713154959 + 12.4632069041500 split increased to 2 itime 281270 itsplit 1 - acceleration/energy drift too large 5.33403394746487 - 26.1281201328799 split increased to 2 itime 285760 + acceleration/energy drift too large 3.16595928584978 + 10.6735486856110 split increased to 2 itime 281293 itsplit 1 - acceleration/energy drift too large 2.62165596395872 - 13.1436333511659 split increased to 2 itime 285761 + acceleration/energy drift too large 2.37565360724797 + 13.6376214050826 split increased to 2 itime 283255 itsplit 1 - acceleration/energy drift too large 5.15436874113173 - 11.9231750150784 split increased to 2 itime 285768 + acceleration/energy drift too large 3.04916527479840 + 26.9480351432954 split increased to 2 itime 283981 itsplit 1 - acceleration/energy drift too large 7.16533442633403 - 20.0645867637737 split increased to 2 itime 287397 + acceleration/energy drift too large 13.5680119696879 + 76.3612786268209 split increased to 2 itime 284175 itsplit 1 - acceleration/energy drift too large 1.91625130967802 - 11.5153196792092 split increased to 2 itime 287722 - itsplit 1 - acceleration/energy drift too large 8.82931554738403 - 34.5773118577314 split increased to 2 itime 287851 - itsplit 1 - acceleration/energy drift too large 3.50626692461012 - 11.9416730995477 split increased to 2 itime 287870 - itsplit 1 - acceleration/energy drift too large 5.24492781059974 - 21.5243431484944 split increased to 2 itime 289264 + acceleration/energy drift too large 3.00470407019815 + 11.0972901074148 split increased to 2 itime 288750 itsplit 1 Velocities reset to random values, time 57999.80 - acceleration/energy drift too large 4.05468605190852 - 10.8682178066819 split increased to 2 itime 290191 - itsplit 1 - acceleration/energy drift too large 9.29502144483686 - 39.1096035695160 split increased to 2 itime 290298 - itsplit 1 - acceleration/energy drift too large 2.31173117760042 - 12.0622389720738 split increased to 2 itime 290299 - itsplit 1 - acceleration/energy drift too large 3.54261923057887 - 13.1195576565950 split increased to 2 itime 290506 - itsplit 1 - acceleration/energy drift too large 5.79536333255481 - 23.5741534507117 split increased to 2 itime 292647 - itsplit 1 - acceleration/energy drift too large 5.99924730273468 - 20.0698313414361 split increased to 2 itime 292718 - itsplit 1 - acceleration/energy drift too large 6.35924310780247 - 16.2280087407269 split increased to 2 itime 292911 - itsplit 1 - acceleration/energy drift too large 5.82423666300645 - 17.4629347582618 split increased to 2 itime 293751 + acceleration/energy drift too large 4.02454396691891 + 21.6905692442210 split increased to 2 itime 291083 itsplit 1 - acceleration/energy drift too large 7.24553177111816 - 32.5662412451276 split increased to 2 itime 294774 + acceleration/energy drift too large 7.42776923705686 + 24.0722374593027 split increased to 2 itime 291941 itsplit 1 - acceleration/energy drift too large 6.36445641210212 - 13.9138433683522 split increased to 2 itime 295849 + acceleration/energy drift too large 4.92124715284875 + 18.1955474023390 split increased to 2 itime 294963 itsplit 1 - acceleration/energy drift too large 4.56658437011661 - 14.1075785477974 split increased to 2 itime 296826 + acceleration/energy drift too large 3.93874682963256 + 11.5113196332049 split increased to 2 itime 296918 itsplit 1 - acceleration/energy drift too large 4.54062199257411 - 10.0371432287181 split increased to 2 itime 297975 + acceleration/energy drift too large 12.6205498963897 + 68.9121432190759 split increased to 2 itime 299075 itsplit 1 - acceleration/energy drift too large 2.58573152638697 - 10.5501840834612 split increased to 2 itime 298375 - itsplit 1 - acceleration/energy drift too large 11.5891608933544 - 64.8807244383626 split increased to 2 itime 298484 - itsplit 1 - acceleration/energy drift too large 6.52639196492389 - 15.5757699308264 split increased to 2 itime 298951 - itsplit 1 - acceleration/energy drift too large 7.79986462023410 - 23.8326950552251 split increased to 2 itime 299991 + acceleration/energy drift too large 9.45492544046721 + 39.0681713386836 split increased to 2 itime 299526 itsplit 1 Velocities reset to random values, time 59999.80 REMD synchro at 300000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 122.675781250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 107.058593750000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.66667 3 -ACC 2 260.00000 0.00000 3 -ACC 3 270.00000 1.00000 3 -ACC 4 280.00000 0.33333 3 -ACC 5 290.00000 1.00000 3 -ACC 6 300.00000 1.00000 3 +ACC 2 260.00000 0.33333 3 +ACC 3 270.00000 0.66667 3 +ACC 4 280.00000 0.66667 3 +ACC 5 290.00000 0.33333 3 +ACC 6 300.00000 0.66667 3 ACC 7 310.00000 0.33333 3 -ACC 8 320.00000 0.66667 3 -ACC 9 330.00000 0.66667 3 -ACC 10 340.00000 0.66667 3 -ACC 11 350.00000 0.33333 3 -ACC 12 360.00000 1.00000 3 -ACC 13 370.00000 1.00000 3 -ACC 14 380.00000 1.00000 3 -ACC 15 390.00000 1.00000 3 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 6.07766675587740 - 10.8241477766531 split increased to 2 itime 300133 - itsplit 1 - acceleration/energy drift too large 4.75846444841410 - 14.5604650991464 split increased to 2 itime 303934 - itsplit 1 - acceleration/energy drift too large 5.22647671248841 - 10.6215557321656 split increased to 2 itime 304175 - itsplit 1 - acceleration/energy drift too large 4.12123751922885 - 10.4884747829284 split increased to 2 itime 304241 + acceleration/energy drift too large 5.76936544439912 + 19.0838779435693 split increased to 2 itime 307292 itsplit 1 - acceleration/energy drift too large 3.44221399788850 - 12.5272103618110 split increased to 2 itime 305570 - itsplit 1 - acceleration/energy drift too large 4.76812859718214 - 11.9262480965619 split increased to 2 itime 306955 - itsplit 1 - acceleration/energy drift too large 4.05763667676570 - 11.6018843772727 split increased to 2 itime 307011 - itsplit 1 - acceleration/energy drift too large 8.57919462477725 - 33.3581529060793 split increased to 2 itime 307097 + acceleration/energy drift too large 6.90305132390753 + 21.4154144608130 split increased to 2 itime 308276 itsplit 1 Velocities reset to random values, time 61999.80 - acceleration/energy drift too large 6.92603373546451 - 23.0425935316238 split increased to 2 itime 311284 + acceleration/energy drift too large 2.94760885377171 + 15.4386292243471 split increased to 2 itime 311360 itsplit 1 - acceleration/energy drift too large 5.69419384421165 - 10.6518772866196 split increased to 2 itime 311518 + acceleration/energy drift too large 2.41165370598991 + 12.2434141324663 split increased to 2 itime 311480 itsplit 1 - acceleration/energy drift too large 4.36921418148261 - 10.5453353318495 split increased to 2 itime 311609 + acceleration/energy drift too large 6.99410584472067 + 22.9808829676835 split increased to 2 itime 313342 itsplit 1 - acceleration/energy drift too large 7.66272761309504 - 27.8487547661130 split increased to 2 itime 312257 + acceleration/energy drift too large 7.07969477121063 + 16.1706180624546 split increased to 2 itime 314959 itsplit 1 - acceleration/energy drift too large 2.63617479536375 - 16.8144269054514 split increased to 2 itime 315902 + acceleration/energy drift too large 6.25608762218935 + 12.4250953051804 split increased to 2 itime 315459 itsplit 1 - acceleration/energy drift too large 5.79319186200584 - 10.1007897717378 split increased to 2 itime 316703 + acceleration/energy drift too large 5.56716554942433 + 23.4944162459756 split increased to 2 itime 317171 itsplit 1 - acceleration/energy drift too large 5.27985600934854 - 18.1388084599452 split increased to 2 itime 319001 + acceleration/energy drift too large 5.55987485028062 + 23.3193498631511 split increased to 2 itime 317258 itsplit 1 - acceleration/energy drift too large 3.16937329679056 - 24.1620605719490 split increased to 2 itime 319172 + acceleration/energy drift too large 7.95163098391601 + 40.2389761023746 split increased to 2 itime 317622 + itsplit 1 + acceleration/energy drift too large 5.63336932172296 + 14.1127001767200 split increased to 2 itime 318926 itsplit 1 Velocities reset to random values, time 63999.80 - acceleration/energy drift too large 3.79058375708654 - 10.4544440528750 split increased to 2 itime 321177 + acceleration/energy drift too large 5.91299826508205 + 11.1698792473658 split increased to 2 itime 321219 itsplit 1 - acceleration/energy drift too large 3.59098679493595 - 12.6293077222021 split increased to 2 itime 325605 + acceleration/energy drift too large 4.46986495027927 + 10.0465175664051 split increased to 2 itime 321974 itsplit 1 - acceleration/energy drift too large 4.83128899002368 - 13.5463157451227 split increased to 2 itime 325964 + acceleration/energy drift too large 10.0063886163363 + 47.2945489425439 split increased to 2 itime 322064 itsplit 1 - acceleration/energy drift too large 2.73760723337011 - 14.6765139285750 split increased to 2 itime 326989 + acceleration/energy drift too large 4.50368925438594 + 28.3856583459787 split increased to 2 itime 323844 itsplit 1 - acceleration/energy drift too large 3.44172973932176 - 13.9426206532177 split increased to 2 itime 328675 + acceleration/energy drift too large 5.98933767527289 + 40.0269385902408 split increased to 2 itime 324390 itsplit 1 - acceleration/energy drift too large 6.06097052407765 - 14.8954531282660 split increased to 2 itime 329720 + acceleration/energy drift too large 6.82610788042039 + 26.0006192592772 split increased to 2 itime 324871 itsplit 1 -Velocities reset to random values, time 65999.80 - acceleration/energy drift too large 5.11344591654875 - 10.8060672290211 split increased to 2 itime 332612 + acceleration/energy drift too large 10.4708996204285 + 52.4128002579814 split increased to 2 itime 325665 itsplit 1 - acceleration/energy drift too large 3.42383979993469 - 22.5718390049174 split increased to 2 itime 332634 + acceleration/energy drift too large 7.66818408696277 + 16.0814352939357 split increased to 2 itime 326117 itsplit 1 - acceleration/energy drift too large 2.67433160861011 - 13.6487718252882 split increased to 2 itime 333274 + acceleration/energy drift too large 5.09447694358737 + 23.3205308830654 split increased to 2 itime 327162 itsplit 1 - acceleration/energy drift too large 5.23068412448105 - 21.0344405516192 split increased to 2 itime 335082 + acceleration/energy drift too large 4.93335429189260 + 28.8587935558088 split increased to 2 itime 327292 itsplit 1 - acceleration/energy drift too large 7.75048509436381 - 27.2706652588561 split increased to 2 itime 338775 + acceleration/energy drift too large 2.61057471904166 + 12.6833086117503 split increased to 2 itime 327539 itsplit 1 -Velocities reset to random values, time 67999.80 - acceleration/energy drift too large 4.19274336283247 - 11.2992188723966 split increased to 2 itime 342384 + acceleration/energy drift too large 5.47936496964578 + 13.8272217570640 split increased to 2 itime 328487 itsplit 1 -Velocities reset to random values, time 69999.80 - acceleration/energy drift too large 2.62179598425635 - 16.2468969877411 split increased to 2 itime 351204 + acceleration/energy drift too large 5.88643914782038 + 16.0333947116943 split increased to 2 itime 328830 itsplit 1 - acceleration/energy drift too large 4.40465975334449 - 13.1137697025318 split increased to 2 itime 351240 + acceleration/energy drift too large 10.2075117133927 + 51.4760148862040 split increased to 2 itime 329328 itsplit 1 - acceleration/energy drift too large 5.03507271155133 - 10.4560271961448 split increased to 2 itime 351249 +Velocities reset to random values, time 65999.80 + acceleration/energy drift too large 4.43428343074383 + 12.9512056957455 split increased to 2 itime 331742 itsplit 1 - acceleration/energy drift too large 4.86608746470851 - 25.0922468819268 split increased to 2 itime 353281 + acceleration/energy drift too large 3.19664744121289 + 11.7239798004026 split increased to 2 itime 334953 itsplit 1 - acceleration/energy drift too large 8.74985933109997 - 34.9316148544256 split increased to 2 itime 356677 + acceleration/energy drift too large 5.20284873405150 + 11.9361018491522 split increased to 2 itime 336287 itsplit 1 - acceleration/energy drift too large 3.56406207258775 - 10.4752887031890 split increased to 2 itime 356989 + acceleration/energy drift too large 2.66363685028578 + 14.6017396565994 split increased to 2 itime 337083 itsplit 1 - acceleration/energy drift too large 5.61153750176249 - 18.0620612870272 split increased to 2 itime 358116 + acceleration/energy drift too large 4.95109641698009 + 11.2154636116168 split increased to 2 itime 338537 itsplit 1 - acceleration/energy drift too large 4.43861446085209 - 22.0272133050345 split increased to 2 itime 358147 +Velocities reset to random values, time 67999.80 + acceleration/energy drift too large 5.44026267651332 + 14.3496217561171 split increased to 2 itime 340047 itsplit 1 - acceleration/energy drift too large 5.91201889244300 - 15.3791076086729 split increased to 2 itime 358737 + acceleration/energy drift too large 2.01263067386562 + 10.8671532628262 split increased to 2 itime 342581 itsplit 1 - acceleration/energy drift too large 3.97160701871715 - 10.8784136909497 split increased to 2 itime 358848 + acceleration/energy drift too large 8.61317898527398 + 30.6235392704475 split increased to 2 itime 349269 itsplit 1 -Velocities reset to random values, time 71999.80 - acceleration/energy drift too large 4.76083594317882 - 12.0414034238304 split increased to 2 itime 361313 + acceleration/energy drift too large 9.89420317315765 + 51.0051269275753 split increased to 2 itime 349526 itsplit 1 - acceleration/energy drift too large 5.37586761620795 - 17.5370386894735 split increased to 2 itime 364179 + acceleration/energy drift too large 5.03302738459632 + 18.8368804523889 split increased to 2 itime 349815 itsplit 1 - acceleration/energy drift too large 6.22744230012241 - 23.9264878326282 split increased to 2 itime 364666 +Velocities reset to random values, time 69999.80 + acceleration/energy drift too large 6.59606917482428 + 17.2536517404267 split increased to 2 itime 350100 itsplit 1 - acceleration/energy drift too large 5.37849423933318 - 28.7599246015068 split increased to 2 itime 365051 + acceleration/energy drift too large 4.78053039774665 + 10.4274173864602 split increased to 2 itime 351970 itsplit 1 - acceleration/energy drift too large 5.15684759541444 - 16.8220738832904 split increased to 2 itime 365749 + acceleration/energy drift too large 6.95067850904211 + 24.7393044179405 split increased to 2 itime 353518 itsplit 1 - acceleration/energy drift too large 6.58153491584516 - 23.5751270385877 split increased to 2 itime 366549 + acceleration/energy drift too large 4.03958386714046 + 11.4286935292646 split increased to 2 itime 356217 itsplit 1 - acceleration/energy drift too large 1.88564641261838 - 16.5285514906273 split increased to 2 itime 366550 + acceleration/energy drift too large 4.61912784738001 + 23.3572369875912 split increased to 2 itime 356886 itsplit 1 -Velocities reset to random values, time 73999.80 - acceleration/energy drift too large 6.42819413746919 - 19.2022623719648 split increased to 2 itime 370308 + acceleration/energy drift too large 3.61505872305969 + 19.4455036672013 split increased to 2 itime 356944 itsplit 1 - acceleration/energy drift too large 7.68849979005426 - 26.3712365349223 split increased to 2 itime 370741 + acceleration/energy drift too large 2.83276363057936 + 15.6321662877459 split increased to 2 itime 357001 itsplit 1 - acceleration/energy drift too large 6.64359258953225 - 17.6780292942082 split increased to 2 itime 373653 + acceleration/energy drift too large 8.37568266882538 + 32.2777779822318 split increased to 2 itime 358558 itsplit 1 - acceleration/energy drift too large 5.36387204093286 - 24.1448352998582 split increased to 2 itime 374632 + acceleration/energy drift too large 7.18185132323563 + 20.6675131489680 split increased to 2 itime 359143 itsplit 1 - acceleration/energy drift too large 3.67087598742650 - 10.5305977688170 split increased to 2 itime 375474 + acceleration/energy drift too large 6.20671776204437 + 19.0013985308463 split increased to 2 itime 359787 itsplit 1 - acceleration/energy drift too large 11.1226298201210 - 56.5640202913500 split increased to 2 itime 377670 +Velocities reset to random values, time 71999.80 + acceleration/energy drift too large 9.45728833755205 + 37.1229530509369 split increased to 2 itime 360555 itsplit 1 - acceleration/energy drift too large 1.89087148150809 - 11.4267198153424 split increased to 2 itime 378000 + acceleration/energy drift too large 8.52665102263523 + 35.2060697481260 split increased to 2 itime 361206 itsplit 1 -Velocities reset to random values, time 75999.80 - acceleration/energy drift too large 8.98850266681585 - 43.2493594683055 split increased to 2 itime 380523 + acceleration/energy drift too large 4.12644521151061 + 10.2869258408174 split increased to 2 itime 364669 itsplit 1 - acceleration/energy drift too large 2.06816876996664 - 12.9220015497403 split increased to 2 itime 380524 +Velocities reset to random values, time 73999.80 + acceleration/energy drift too large 8.11105027161355 + 32.5438994345134 split increased to 2 itime 371011 itsplit 1 - acceleration/energy drift too large 9.60567614855503 - 58.3210666213169 split increased to 2 itime 380836 + acceleration/energy drift too large 5.00890145259808 + 16.5721000703201 split increased to 2 itime 371176 itsplit 1 - acceleration/energy drift too large 2.39090374777370 - 17.0632962590724 split increased to 2 itime 380837 + acceleration/energy drift too large 6.99009012371602 + 31.7627073991357 split increased to 2 itime 373248 itsplit 1 - acceleration/energy drift too large 3.29853904398010 - 20.5214337491257 split increased to 2 itime 383563 + acceleration/energy drift too large 4.56844413801394 + 14.3264534407604 split increased to 2 itime 373927 itsplit 1 - acceleration/energy drift too large 4.73880464773287 - 13.5663174112965 split increased to 2 itime 383652 + acceleration/energy drift too large 6.44664479643949 + 24.4205951656303 split increased to 2 itime 375613 itsplit 1 - acceleration/energy drift too large 7.29111174454555 - 24.4818690256853 split increased to 2 itime 384278 + acceleration/energy drift too large 7.40484306493608 + 22.5021513642006 split increased to 2 itime 378056 itsplit 1 - acceleration/energy drift too large 6.56997907179818 - 22.8522790571525 split increased to 2 itime 384279 + acceleration/energy drift too large 1.56122811670391 + 10.5209018794363 split increased to 2 itime 378689 itsplit 1 - acceleration/energy drift too large 2.70981536196542 - 12.3358659913794 split increased to 2 itime 386253 + acceleration/energy drift too large 2.35861964979222 + 15.0654990189912 split increased to 2 itime 379566 itsplit 1 - acceleration/energy drift too large 2.32102484710323 - 17.0682482993278 split increased to 2 itime 387254 +Velocities reset to random values, time 75999.80 + acceleration/energy drift too large 4.50462543022606 + 17.5960110834887 split increased to 2 itime 383751 itsplit 1 - acceleration/energy drift too large 2.66021524061225 - 14.4614031356135 split increased to 2 itime 387298 + acceleration/energy drift too large 4.05389495213893 + 13.0961707200764 split increased to 2 itime 384500 itsplit 1 - acceleration/energy drift too large 4.15397784121815 - 12.3232270734992 split increased to 2 itime 388801 + acceleration/energy drift too large 7.19255522414618 + 22.4386816310292 split increased to 2 itime 385696 itsplit 1 - acceleration/energy drift too large 4.75798586317919 - 17.2318019328056 split increased to 2 itime 389015 + acceleration/energy drift too large 3.24954463103647 + 13.1039123071908 split increased to 2 itime 385824 itsplit 1 - acceleration/energy drift too large 3.48376008575851 - 27.0920657733166 split increased to 2 itime 389071 + acceleration/energy drift too large 12.6920705333984 + 73.5606911144577 split increased to 2 itime 387745 itsplit 1 Velocities reset to random values, time 77999.80 - acceleration/energy drift too large 9.34132822233123 - 14.1299459352593 split increased to 2 itime 393325 + acceleration/energy drift too large 2.81572366950123 + 19.1846829792189 split increased to 2 itime 394020 itsplit 1 - acceleration/energy drift too large 3.53975057094461 - 29.3105358293453 split increased to 2 itime 397100 + acceleration/energy drift too large 2.44020589120495 + 12.4770843894376 split increased to 2 itime 394578 itsplit 1 - acceleration/energy drift too large 10.0049920273749 - 50.2397248626102 split increased to 2 itime 399388 + acceleration/energy drift too large 2.38480239342895 + 13.1199752968779 split increased to 2 itime 395603 itsplit 1 - acceleration/energy drift too large 2.54711262704641 - 12.6910927337916 split increased to 4 itime 399388 - itsplit 2 - acceleration/energy drift too large 5.46262086552822 - 17.9983230473407 split increased to 2 itime 399797 + acceleration/energy drift too large 2.14106471026809 + 11.1634238685845 split increased to 2 itime 399654 + itsplit 1 + acceleration/energy drift too large 3.87420983662142 + 11.2328469509242 split increased to 2 itime 399688 itsplit 1 Velocities reset to random values, time 79999.80 REMD synchro at 400000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 164.062500000000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 142.460937500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.75000 4 -ACC 2 260.00000 0.00000 4 +ACC 1 250.00000 0.50000 4 +ACC 2 260.00000 0.25000 4 ACC 3 270.00000 0.75000 4 -ACC 4 280.00000 0.25000 4 -ACC 5 290.00000 1.00000 4 +ACC 4 280.00000 0.50000 4 +ACC 5 290.00000 0.50000 4 ACC 6 300.00000 0.75000 4 -ACC 7 310.00000 0.50000 4 -ACC 8 320.00000 0.50000 4 -ACC 9 330.00000 0.75000 4 -ACC 10 340.00000 0.75000 4 -ACC 11 350.00000 0.50000 4 -ACC 12 360.00000 1.00000 4 -ACC 13 370.00000 0.75000 4 -ACC 14 380.00000 1.00000 4 -ACC 15 390.00000 1.00000 4 +ACC 7 310.00000 0.25000 4 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 5.71207132172949 - 12.9463594619800 split increased to 2 itime 400099 + acceleration/energy drift too large 3.62879063489745 + 11.3726879107341 split increased to 2 itime 401911 itsplit 1 - acceleration/energy drift too large 8.34850791190807 - 29.9277564895180 split increased to 2 itime 403073 + acceleration/energy drift too large 3.83128005380851 + 18.8527185980173 split increased to 2 itime 404738 itsplit 1 - acceleration/energy drift too large 5.19373752054904 - 15.6040608505331 split increased to 2 itime 403881 + acceleration/energy drift too large 6.84876763576455 + 18.3076197665273 split increased to 2 itime 406320 itsplit 1 - acceleration/energy drift too large 7.46832581423188 - 18.2111880301842 split increased to 2 itime 405282 + acceleration/energy drift too large 6.23893737344456 + 29.7665884764159 split increased to 2 itime 409693 itsplit 1 - acceleration/energy drift too large 5.46596215770641 - 10.3789247750593 split increased to 2 itime 405288 +Velocities reset to random values, time 81999.80 + acceleration/energy drift too large 6.94317789931435 + 24.1562724402242 split increased to 2 itime 410157 itsplit 1 - acceleration/energy drift too large 2.38438004043562 - 10.2868368387867 split increased to 2 itime 405927 + acceleration/energy drift too large 4.75038198608123 + 12.6878147054932 split increased to 2 itime 413441 itsplit 1 - acceleration/energy drift too large 7.03732193903913 - 18.2129980711924 split increased to 2 itime 407200 + acceleration/energy drift too large 5.00532861237243 + 18.9801598917239 split increased to 2 itime 414423 itsplit 1 -Velocities reset to random values, time 81999.80 - acceleration/energy drift too large 5.03153305452181 - 21.4339115048159 split increased to 2 itime 410151 + acceleration/energy drift too large 5.18387383172627 + 21.5088212365371 split increased to 2 itime 416564 itsplit 1 - acceleration/energy drift too large 3.75853376985387 - 14.5703104070751 split increased to 2 itime 411244 + acceleration/energy drift too large 2.09427561159459 + 14.1458062716582 split increased to 2 itime 416565 itsplit 1 - acceleration/energy drift too large 6.02099667872600 - 19.0143764076154 split increased to 2 itime 413063 + acceleration/energy drift too large 5.30026512972403 + 20.3879466711402 split increased to 2 itime 416953 itsplit 1 - acceleration/energy drift too large 5.86298045495196 - 34.6096099685146 split increased to 2 itime 416955 + acceleration/energy drift too large 4.94713599932680 + 15.0961607089128 split increased to 2 itime 419770 itsplit 1 - acceleration/energy drift too large 5.14258718020759 - 21.8064241015623 split increased to 2 itime 417013 +Velocities reset to random values, time 83999.80 + acceleration/energy drift too large 6.06698386898860 + 41.4235383078940 split increased to 2 itime 422395 itsplit 1 - acceleration/energy drift too large 6.22110687087945 - 10.2035958611021 split increased to 2 itime 417248 + acceleration/energy drift too large 4.83478667771307 + 10.3982241143725 split increased to 2 itime 428203 itsplit 1 - acceleration/energy drift too large 3.09918909289270 - 11.7704523921461 split increased to 2 itime 417583 +Velocities reset to random values, time 85999.80 + acceleration/energy drift too large 3.33031499015028 + 12.3712866868007 split increased to 2 itime 431263 itsplit 1 - acceleration/energy drift too large 1.50679512475557 - 13.3303051257955 split increased to 4 itime 417583 + acceleration/energy drift too large 3.63731165868643 + 10.5860117716555 split increased to 2 itime 431264 itsplit 1 - acceleration/energy drift too large 6.70250994097654 - 24.1937697163829 split increased to 2 itime 419896 + acceleration/energy drift too large 3.43252418253940 + 19.3120911306159 split increased to 2 itime 431520 itsplit 1 -Velocities reset to random values, time 83999.80 - acceleration/energy drift too large 4.22194690913700 - 13.8332714924942 split increased to 2 itime 423520 + acceleration/energy drift too large 6.19089250439513 + 24.6808493067568 split increased to 2 itime 431888 itsplit 1 - acceleration/energy drift too large 5.82232540138945 - 16.3663344713537 split increased to 2 itime 424037 + acceleration/energy drift too large 5.94335260798323 + 24.5640816556562 split increased to 2 itime 434899 itsplit 1 - acceleration/energy drift too large 3.99607050498344 - 14.9605798269824 split increased to 2 itime 424718 + acceleration/energy drift too large 5.06849058361980 + 10.4508618168476 split increased to 2 itime 435111 itsplit 1 - acceleration/energy drift too large 4.91701955234869 - 28.6639978719811 split increased to 2 itime 424908 + acceleration/energy drift too large 5.19278424714480 + 10.0713148849589 split increased to 2 itime 436049 itsplit 1 - acceleration/energy drift too large 4.25128758035625 - 21.6899946168418 split increased to 2 itime 427208 + acceleration/energy drift too large 2.53687049910824 + 11.1471566685503 split increased to 2 itime 437055 itsplit 1 - acceleration/energy drift too large 3.71294185839611 - 16.5713878139662 split increased to 2 itime 427255 +Velocities reset to random values, time 87999.80 + acceleration/energy drift too large 9.00832456281566 + 39.0244773752017 split increased to 2 itime 444806 itsplit 1 -Velocities reset to random values, time 85999.80 - acceleration/energy drift too large 2.96462232888096 - 10.0834846412296 split increased to 2 itime 430253 + acceleration/energy drift too large 5.27497464376322 + 11.8638833534489 split increased to 2 itime 447593 itsplit 1 - acceleration/energy drift too large 5.59487437996206 - 27.9843237756155 split increased to 2 itime 430869 + acceleration/energy drift too large 3.47720917348186 + 25.8790276910957 split increased to 2 itime 447691 itsplit 1 - acceleration/energy drift too large 5.13294587815154 - 24.4546885548349 split increased to 2 itime 432617 + acceleration/energy drift too large 2.60017122428666 + 20.5146486423323 split increased to 2 itime 448342 itsplit 1 - acceleration/energy drift too large 5.29659024530973 - 26.5201387412203 split increased to 2 itime 433343 + acceleration/energy drift too large 9.48862639957749 + 40.4154214791140 split increased to 2 itime 448442 itsplit 1 - acceleration/energy drift too large 3.00501816602540 - 12.9375428237120 split increased to 2 itime 433344 + acceleration/energy drift too large 4.48830883065839 + 11.6300831685520 split increased to 2 itime 448501 itsplit 1 - acceleration/energy drift too large 3.73365910015374 - 14.5351590386227 split increased to 2 itime 433390 + acceleration/energy drift too large 5.13540906115893 + 11.5240066649228 split increased to 2 itime 449227 itsplit 1 - acceleration/energy drift too large 4.32293666268891 - 19.6627409949905 split increased to 2 itime 433709 + acceleration/energy drift too large 2.22565326747554 + 11.1672103491839 split increased to 2 itime 449455 itsplit 1 - acceleration/energy drift too large 6.52465870186193 - 29.9768949391426 split increased to 2 itime 434694 + acceleration/energy drift too large 4.39111613417782 + 12.0713376880061 split increased to 2 itime 449690 itsplit 1 - acceleration/energy drift too large 5.37484028193743 - 14.7511999134078 split increased to 2 itime 435178 +Velocities reset to random values, time 89999.80 + acceleration/energy drift too large 5.36445562509416 + 19.4441121126973 split increased to 2 itime 451379 itsplit 1 - acceleration/energy drift too large 4.07129818583356 - 13.8266906513137 split increased to 2 itime 436408 + acceleration/energy drift too large 6.95633249178906 + 29.7182246326064 split increased to 2 itime 452476 itsplit 1 - acceleration/energy drift too large 5.30288671343334 - 16.5228103301032 split increased to 2 itime 437200 + acceleration/energy drift too large 3.67108792857462 + 12.7522429307410 split increased to 2 itime 452653 itsplit 1 - acceleration/energy drift too large 3.61185926503092 - 11.4760999284788 split increased to 2 itime 437348 + acceleration/energy drift too large 8.22307936059203 + 31.4645878160414 split increased to 2 itime 452706 itsplit 1 - acceleration/energy drift too large 7.09496473299269 - 22.1762007359791 split increased to 2 itime 437960 + acceleration/energy drift too large 6.51825635532967 + 19.5578562273435 split increased to 2 itime 456623 itsplit 1 - acceleration/energy drift too large 3.36766165064590 - 13.1774297629055 split increased to 2 itime 439688 + acceleration/energy drift too large 6.78884708645836 + 19.4472101617543 split increased to 2 itime 459684 itsplit 1 -Velocities reset to random values, time 87999.80 - acceleration/energy drift too large 6.00287588822552 - 25.4985104983943 split increased to 2 itime 440793 +Velocities reset to random values, time 91999.80 + acceleration/energy drift too large 4.19885871418896 + 10.5858589940348 split increased to 2 itime 462258 itsplit 1 - acceleration/energy drift too large 6.89476470137271 - 19.3185433577334 split increased to 2 itime 440802 + acceleration/energy drift too large 2.92341896885146 + 10.7983323065448 split increased to 2 itime 462937 itsplit 1 - acceleration/energy drift too large 4.84382504494316 - 25.1129951350233 split increased to 2 itime 440829 + acceleration/energy drift too large 5.15589362211029 + 18.3776262233828 split increased to 2 itime 464260 itsplit 1 - acceleration/energy drift too large 3.98818766405409 - 19.1643710214830 split increased to 2 itime 441861 + acceleration/energy drift too large 2.62737385810479 + 10.1077466483483 split increased to 2 itime 467577 itsplit 1 - acceleration/energy drift too large 4.31561243948357 - 11.6071671658382 split increased to 2 itime 442409 +Velocities reset to random values, time 93999.80 + acceleration/energy drift too large 9.10591682178211 + 38.8790210821244 split increased to 2 itime 470167 itsplit 1 - acceleration/energy drift too large 7.75629182316262 - 30.6715202558308 split increased to 2 itime 443145 + acceleration/energy drift too large 5.54950864457635 + 12.0935023038862 split increased to 2 itime 471426 itsplit 1 - acceleration/energy drift too large 8.10905156776023 - 31.7586078839683 split increased to 2 itime 443526 + acceleration/energy drift too large 9.61052374144209 + 46.9876451162806 split increased to 2 itime 471744 itsplit 1 - acceleration/energy drift too large 5.61722516667647 - 18.4211097751804 split increased to 2 itime 443804 + acceleration/energy drift too large 4.51650063737859 + 12.7384117412545 split increased to 2 itime 473056 itsplit 1 - acceleration/energy drift too large 2.98849428189056 - 11.7024416616717 split increased to 2 itime 445676 + acceleration/energy drift too large 4.70799033408715 + 15.5766361938741 split increased to 2 itime 474164 itsplit 1 - acceleration/energy drift too large 4.60323295168567 - 28.0008959564913 split increased to 2 itime 445720 + acceleration/energy drift too large 3.09210997329972 + 10.4977372579611 split increased to 2 itime 475852 itsplit 1 - acceleration/energy drift too large 2.00135401562538 - 10.1340731634422 split increased to 2 itime 445967 + acceleration/energy drift too large 4.50570283602948 + 18.1087511162190 split increased to 2 itime 476809 itsplit 1 - acceleration/energy drift too large 6.79474589439384 - 22.2844299570468 split increased to 2 itime 446222 + acceleration/energy drift too large 5.52211524590005 + 14.0838327876463 split increased to 2 itime 476988 itsplit 1 - acceleration/energy drift too large 6.05841335495080 - 22.7832718425835 split increased to 2 itime 447086 + acceleration/energy drift too large 5.95622977674675 + 15.0147314011965 split increased to 2 itime 477585 itsplit 1 - acceleration/energy drift too large 5.47025757241198 - 21.1806063967866 split increased to 2 itime 447413 +Velocities reset to random values, time 95999.80 + acceleration/energy drift too large 9.38485624893340 + 41.8068523479410 split increased to 2 itime 480663 itsplit 1 - acceleration/energy drift too large 6.28227899298396 - 17.4067619201100 split increased to 2 itime 447775 + acceleration/energy drift too large 7.36508291333001 + 22.3162344905527 split increased to 2 itime 483142 itsplit 1 - acceleration/energy drift too large 2.58664406879878 - 19.3284809823980 split increased to 2 itime 449608 + acceleration/energy drift too large 8.34760290628875 + 23.7910379685211 split increased to 2 itime 483145 itsplit 1 -Velocities reset to random values, time 89999.80 - acceleration/energy drift too large 5.20953815531127 - 18.6396952186743 split increased to 2 itime 450890 + acceleration/energy drift too large 8.86066980158030 + 14.1228364413708 split increased to 2 itime 483146 itsplit 1 - acceleration/energy drift too large 3.32712756977863 - 12.1814485829973 split increased to 2 itime 452449 + acceleration/energy drift too large 6.11327549291102 + 21.7358547121937 split increased to 2 itime 485855 itsplit 1 - acceleration/energy drift too large 4.69457675801215 - 11.0673247789955 split increased to 2 itime 452609 + acceleration/energy drift too large 4.09466359201451 + 12.6956503200943 split increased to 2 itime 487185 itsplit 1 - acceleration/energy drift too large 4.20155102300153 - 25.4388516898503 split increased to 2 itime 453514 +Velocities reset to random values, time 97999.80 + acceleration/energy drift too large 3.26034275292186 + 21.3641759015587 split increased to 2 itime 490702 itsplit 1 - acceleration/energy drift too large 7.58441117674498 - 26.9112795896092 split increased to 2 itime 455123 + acceleration/energy drift too large 4.43367129244187 + 26.4213769321996 split increased to 2 itime 490784 itsplit 1 - acceleration/energy drift too large 6.67456474609787 - 14.6651365023740 split increased to 2 itime 456098 + acceleration/energy drift too large 7.79181572774895 + 32.2772462047394 split increased to 2 itime 491603 itsplit 1 - acceleration/energy drift too large 6.68289405989964 - 11.6684158997720 split increased to 2 itime 456842 + acceleration/energy drift too large 1.92582148610853 + 11.7245513224044 split increased to 2 itime 491604 itsplit 1 - acceleration/energy drift too large 4.33883048944411 - 12.6286251816921 split increased to 2 itime 457257 + acceleration/energy drift too large 2.30333369906865 + 11.0329965349217 split increased to 2 itime 492409 itsplit 1 - acceleration/energy drift too large 4.13463669355379 - 10.9748535478564 split increased to 2 itime 457280 + acceleration/energy drift too large 4.24220102180116 + 14.7825495861750 split increased to 2 itime 494352 itsplit 1 - acceleration/energy drift too large 3.43849825159746 - 12.8110401398300 split increased to 2 itime 457621 + acceleration/energy drift too large 5.97163138457609 + 19.7249168034969 split increased to 2 itime 499315 itsplit 1 - acceleration/energy drift too large 3.62053743236681 - 15.6078027805415 split increased to 2 itime 459207 +Velocities reset to random values, time 99999.80 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 177.890625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.60000 5 +ACC 2 260.00000 0.20000 5 +ACC 3 270.00000 0.80000 5 +ACC 4 280.00000 0.60000 5 +ACC 5 290.00000 0.40000 5 +ACC 6 300.00000 0.80000 5 +ACC 7 310.00000 0.40000 5 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 3.54654993979794 + 10.1294432920121 split increased to 2 itime 501814 itsplit 1 - acceleration/energy drift too large 5.25937279029496 - 34.4016809009295 split increased to 2 itime 459934 + acceleration/energy drift too large 2.88368437521047 + 17.9740207617585 split increased to 2 itime 502248 itsplit 1 -Velocities reset to random values, time 91999.80 - acceleration/energy drift too large 5.12353780297772 - 36.8983886338051 split increased to 2 itime 460113 + acceleration/energy drift too large 7.26855159994730 + 21.5375041319412 split increased to 2 itime 503023 itsplit 1 - acceleration/energy drift too large 6.80772422237991 - 26.2283834026153 split increased to 2 itime 462999 + acceleration/energy drift too large 6.07904638165784 + 16.0765386608201 split increased to 2 itime 503731 itsplit 1 - acceleration/energy drift too large 2.77741493051902 - 10.1092428033650 split increased to 2 itime 463566 + acceleration/energy drift too large 5.69478758956183 + 15.8636472274129 split increased to 2 itime 503924 itsplit 1 - acceleration/energy drift too large 5.24187751196089 - 11.8194547437371 split increased to 2 itime 463576 + acceleration/energy drift too large 10.1517184206382 + 43.0925825052526 split increased to 2 itime 503966 itsplit 1 - acceleration/energy drift too large 4.01428360568487 - 13.8739675118642 split increased to 2 itime 464141 + acceleration/energy drift too large 2.47781717835146 + 12.6369948743116 split increased to 2 itime 508606 itsplit 1 - acceleration/energy drift too large 5.69419784607206 - 38.3764478752122 split increased to 2 itime 465976 + acceleration/energy drift too large 2.67012964683161 + 19.6419431994866 split increased to 2 itime 508664 itsplit 1 - acceleration/energy drift too large 13.2042929316216 - 58.6271951177432 split increased to 2 itime 466636 + acceleration/energy drift too large 8.50516245159043 + 34.1747543965554 split increased to 2 itime 508884 itsplit 1 - acceleration/energy drift too large 2.63567633549479 - 11.6403508601015 split increased to 2 itime 467472 + acceleration/energy drift too large 4.13620135294329 + 13.4805834430507 split increased to 2 itime 508886 itsplit 1 -Velocities reset to random values, time 93999.80 - acceleration/energy drift too large 5.10546285865149 - 16.4005552628492 split increased to 2 itime 472599 +Velocities reset to random values, time 101999.80 + acceleration/energy drift too large 4.23150575951494 + 12.5536747021630 split increased to 2 itime 512900 itsplit 1 - acceleration/energy drift too large 5.75447062513305 - 20.8641855559396 split increased to 2 itime 475800 + acceleration/energy drift too large 8.18391125568681 + 29.6931699220623 split increased to 2 itime 513094 itsplit 1 - acceleration/energy drift too large 3.74766873335163 - 11.7735913214451 split increased to 2 itime 478245 + acceleration/energy drift too large 2.41319507479394 + 13.5625796681227 split increased to 2 itime 513485 itsplit 1 - acceleration/energy drift too large 8.06562039215200 - 23.3925671940576 split increased to 2 itime 478525 + acceleration/energy drift too large 1.96611909692508 + 13.4623239783597 split increased to 2 itime 513486 itsplit 1 -Velocities reset to random values, time 95999.80 - acceleration/energy drift too large 6.84343729725816 - 32.9079266535098 split increased to 2 itime 481310 + acceleration/energy drift too large 4.01402222912094 + 10.0045183126524 split increased to 2 itime 516948 itsplit 1 - acceleration/energy drift too large 9.17581477500274 - 41.0853030940486 split increased to 2 itime 482963 + acceleration/energy drift too large 4.78774367378956 + 12.0221480935469 split increased to 2 itime 517105 itsplit 1 - acceleration/energy drift too large 6.28070625966611 - 17.7302519675813 split increased to 2 itime 483046 +Velocities reset to random values, time 103999.80 + acceleration/energy drift too large 6.43392778749176 + 30.6535820665798 split increased to 2 itime 520536 itsplit 1 - acceleration/energy drift too large 4.21710733803607 - 18.4115697520822 split increased to 2 itime 485275 + acceleration/energy drift too large 2.37030054151480 + 14.9183851901714 split increased to 2 itime 522416 itsplit 1 - acceleration/energy drift too large 4.80342092214674 - 16.0980679382606 split increased to 2 itime 487662 + acceleration/energy drift too large 5.45933894403845 + 14.0328995490404 split increased to 2 itime 522972 itsplit 1 - acceleration/energy drift too large 4.32570920881215 - 10.4742493037187 split increased to 2 itime 488983 + acceleration/energy drift too large 8.13904495291572 + 31.1855034483679 split increased to 2 itime 523169 itsplit 1 - acceleration/energy drift too large 6.12506048028423 - 20.7106424959836 split increased to 2 itime 489936 + acceleration/energy drift too large 5.51917086691740 + 13.0274334973776 split increased to 2 itime 523170 itsplit 1 -Velocities reset to random values, time 97999.80 - acceleration/energy drift too large 8.44801155346415 - 34.2112031501455 split increased to 2 itime 490094 + acceleration/energy drift too large 5.30830497228993 + 12.4517872663502 split increased to 2 itime 523732 itsplit 1 - acceleration/energy drift too large 5.29713693828657 - 12.9308979369603 split increased to 2 itime 494036 + acceleration/energy drift too large 8.86575855584762 + 32.8820262851625 split increased to 2 itime 524144 itsplit 1 - acceleration/energy drift too large 3.40748426011928 - 13.6193321782272 split increased to 2 itime 494332 + acceleration/energy drift too large 5.95112699870173 + 22.9514294170722 split increased to 2 itime 524300 itsplit 1 - acceleration/energy drift too large 5.10659605191796 - 12.7078219685672 split increased to 2 itime 496332 + acceleration/energy drift too large 2.45427060917275 + 10.5823226666443 split increased to 2 itime 524966 itsplit 1 - acceleration/energy drift too large 5.15881023967515 - 10.2174486428275 split increased to 2 itime 497933 + acceleration/energy drift too large 7.36867132337760 + 17.6015884792587 split increased to 2 itime 525376 itsplit 1 - acceleration/energy drift too large 3.30927059995153 - 11.2460850499674 split increased to 2 itime 498076 + acceleration/energy drift too large 4.10055252504299 + 16.7212432431455 split increased to 2 itime 526936 itsplit 1 - acceleration/energy drift too large 2.55086427188497 - 14.8923659481319 split increased to 2 itime 498133 + acceleration/energy drift too large 6.25697723237914 + 46.1790723352563 split increased to 2 itime 528267 itsplit 1 - acceleration/energy drift too large 3.51134911349549 - 10.9459869404619 split increased to 2 itime 498326 +Velocities reset to random values, time 105999.80 + acceleration/energy drift too large 7.00217970555907 + 24.9364648849732 split increased to 2 itime 530241 itsplit 1 - acceleration/energy drift too large 8.79102005154873 - 20.9653351508991 split increased to 2 itime 498933 + acceleration/energy drift too large 4.88746332619350 + 14.1904404801229 split increased to 2 itime 531808 itsplit 1 -Velocities reset to random values, time 99999.80 - REMD synchro at 500000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 205.101562500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.80000 5 -ACC 2 260.00000 0.00000 5 -ACC 3 270.00000 0.80000 5 -ACC 4 280.00000 0.40000 5 -ACC 5 290.00000 0.80000 5 -ACC 6 300.00000 0.60000 5 -ACC 7 310.00000 0.60000 5 -ACC 8 320.00000 0.60000 5 -ACC 9 330.00000 0.60000 5 -ACC 10 340.00000 0.80000 5 -ACC 11 350.00000 0.60000 5 -ACC 12 360.00000 1.00000 5 -ACC 13 370.00000 0.80000 5 -ACC 14 380.00000 1.00000 5 -ACC 15 390.00000 1.00000 5 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 8.32256653578622 - 34.6181709004767 split increased to 2 itime 500413 + acceleration/energy drift too large 6.32739540759335 + 10.2185677610189 split increased to 2 itime 535391 itsplit 1 - acceleration/energy drift too large 2.82305846646002 - 21.4499384719614 split increased to 2 itime 502501 + acceleration/energy drift too large 5.54834625182724 + 21.5047293749282 split increased to 2 itime 535612 itsplit 1 - acceleration/energy drift too large 4.30266502961531 - 30.1477348065987 split increased to 2 itime 504960 + acceleration/energy drift too large 2.51451342054439 + 13.8155316839765 split increased to 2 itime 536631 itsplit 1 -Velocities reset to random values, time 101999.80 - acceleration/energy drift too large 3.64222416352689 - 11.4110799135266 split increased to 2 itime 510653 + acceleration/energy drift too large 1.92687141889596 + 10.7287727804255 split increased to 2 itime 537826 itsplit 1 - acceleration/energy drift too large 4.61414259403940 - 10.9733112610136 split increased to 2 itime 514159 + acceleration/energy drift too large 4.73306036237058 + 11.2973421313719 split increased to 2 itime 539414 itsplit 1 - acceleration/energy drift too large 5.97565686882792 - 25.9069867717770 split increased to 2 itime 516855 + acceleration/energy drift too large 3.13086907713985 + 13.0322806533096 split increased to 2 itime 539833 itsplit 1 -Velocities reset to random values, time 103999.80 - acceleration/energy drift too large 4.01640846294708 - 11.7117082466496 split increased to 2 itime 521660 +Velocities reset to random values, time 107999.80 + acceleration/energy drift too large 6.13901090925326 + 16.6214672472706 split increased to 2 itime 540688 itsplit 1 -Velocities reset to random values, time 105999.80 - acceleration/energy drift too large 2.91066343325500 - 18.5242751047258 split increased to 2 itime 532895 + acceleration/energy drift too large 4.89057930391504 + 10.6467485205639 split increased to 2 itime 541382 itsplit 1 - acceleration/energy drift too large 4.73136076427247 - 11.4004636651319 split increased to 2 itime 534289 + acceleration/energy drift too large 2.67983949492230 + 10.2739115654202 split increased to 2 itime 542068 itsplit 1 - acceleration/energy drift too large 4.02742079827788 - 12.3340182529647 split increased to 2 itime 535238 + acceleration/energy drift too large 3.95429020620563 + 11.3589796386975 split increased to 2 itime 543809 itsplit 1 - acceleration/energy drift too large 4.18548686661115 - 11.0246835252392 split increased to 2 itime 535281 + acceleration/energy drift too large 5.14807463247646 + 12.8381638082321 split increased to 2 itime 544207 itsplit 1 - acceleration/energy drift too large 7.26372518172864 - 36.2219230160685 split increased to 2 itime 537079 + acceleration/energy drift too large 5.00192717208461 + 24.0124266753582 split increased to 2 itime 545448 itsplit 1 - acceleration/energy drift too large 5.14035389938236 - 11.7327691344663 split increased to 2 itime 538689 + acceleration/energy drift too large 3.79751637323649 + 11.0080432174300 split increased to 2 itime 546472 itsplit 1 -Velocities reset to random values, time 107999.80 - acceleration/energy drift too large 4.51563341206380 - 18.2265785388783 split increased to 2 itime 543148 + acceleration/energy drift too large 5.83773224203629 + 12.9933661936715 split increased to 2 itime 546603 itsplit 1 - acceleration/energy drift too large 6.98600930187806 - 22.0281616780724 split increased to 2 itime 546150 + acceleration/energy drift too large 4.64078225548791 + 16.3552003222609 split increased to 2 itime 549011 itsplit 1 - acceleration/energy drift too large 9.44138902436643 - 42.8546790236988 split increased to 2 itime 547997 + acceleration/energy drift too large 4.89754292898799 + 18.8058533552943 split increased to 2 itime 549072 itsplit 1 Velocities reset to random values, time 109999.80 - acceleration/energy drift too large 7.33555091066331 - 21.2409581249673 split increased to 2 itime 553375 + acceleration/energy drift too large 2.72842946824660 + 10.1066686786438 split increased to 2 itime 552166 itsplit 1 - acceleration/energy drift too large 8.40346215240483 - 34.6060139412084 split increased to 2 itime 555425 + acceleration/energy drift too large 2.45995995288942 + 15.7745790477996 split increased to 2 itime 552578 itsplit 1 - acceleration/energy drift too large 5.08160965493349 - 26.5305101209948 split increased to 2 itime 555449 + acceleration/energy drift too large 2.91324123250213 + 10.3382167147394 split increased to 2 itime 553546 itsplit 1 - acceleration/energy drift too large 2.19775154762170 - 11.6997216870408 split increased to 2 itime 557387 + acceleration/energy drift too large 5.72593577009804 + 12.2178025953519 split increased to 2 itime 553742 itsplit 1 - acceleration/energy drift too large 1.47915811498575 - 11.4181550998662 split increased to 2 itime 558458 + acceleration/energy drift too large 2.32348447860099 + 12.8832003562691 split increased to 2 itime 554728 itsplit 1 - acceleration/energy drift too large 7.40674688751249 - 25.7980250531580 split increased to 2 itime 558603 + acceleration/energy drift too large 2.65345228154351 + 11.9350568091264 split increased to 2 itime 556097 itsplit 1 - acceleration/energy drift too large 2.48970509995056 - 17.5507929255567 split increased to 2 itime 559965 + acceleration/energy drift too large 5.40593823492931 + 18.0591145434685 split increased to 2 itime 556237 itsplit 1 -Velocities reset to random values, time 111999.80 - acceleration/energy drift too large 5.86918439243631 - 12.4501797213461 split increased to 2 itime 562926 + acceleration/energy drift too large 2.48044627707574 + 13.3451732568760 split increased to 2 itime 557523 + itsplit 1 + acceleration/energy drift too large 7.17238817481010 + 20.8597683535904 split increased to 2 itime 558861 itsplit 1 - acceleration/energy drift too large 4.94862795250665 - 17.1223079582701 split increased to 2 itime 563105 + acceleration/energy drift too large 4.16440538206498 + 16.8634965495816 split increased to 2 itime 558958 itsplit 1 - acceleration/energy drift too large 3.34733629114778 - 22.1435474310822 split increased to 2 itime 563904 +Velocities reset to random values, time 111999.80 + acceleration/energy drift too large 8.50162782931830 + 34.4242066338458 split increased to 2 itime 560531 itsplit 1 - acceleration/energy drift too large 3.49793975071332 - 15.0572661539993 split increased to 2 itime 565582 + acceleration/energy drift too large 5.96129782693190 + 10.7992012905561 split increased to 2 itime 561508 itsplit 1 - acceleration/energy drift too large 4.94365652341386 - 10.8167815942916 split increased to 2 itime 565600 + acceleration/energy drift too large 7.19540861290523 + 14.9834344175174 split increased to 2 itime 561659 itsplit 1 - acceleration/energy drift too large 2.13497412849550 - 12.5559497501989 split increased to 2 itime 567167 + acceleration/energy drift too large 2.55062521633187 + 10.8182879824186 split increased to 2 itime 561938 itsplit 1 - acceleration/energy drift too large 6.29262639367615 - 10.7149302190480 split increased to 2 itime 568237 + acceleration/energy drift too large 6.40921110041772 + 19.6864190050583 split increased to 2 itime 563940 itsplit 1 - acceleration/energy drift too large 3.90945429151435 - 15.2573143048390 split increased to 2 itime 568542 + acceleration/energy drift too large 3.07089535596161 + 17.0208663558253 split increased to 2 itime 564149 itsplit 1 - acceleration/energy drift too large 5.20493539487758 - 10.7128442098068 split increased to 2 itime 568849 + acceleration/energy drift too large 7.70813081060118 + 24.9084979112389 split increased to 2 itime 565114 itsplit 1 - acceleration/energy drift too large 2.54095273602809 - 16.3004797274468 split increased to 2 itime 569406 + acceleration/energy drift too large 9.51478299117786 + 37.1779929889402 split increased to 2 itime 569115 itsplit 1 Velocities reset to random values, time 113999.80 - acceleration/energy drift too large 9.17742326968023 - 29.0544029524750 split increased to 2 itime 570936 + acceleration/energy drift too large 2.11338207942155 + 14.4933323760914 split increased to 2 itime 570658 + itsplit 1 + acceleration/energy drift too large 1.44701745243612 + 12.7158276311942 split increased to 2 itime 570659 + itsplit 1 + acceleration/energy drift too large 5.42855806390507 + 10.8742475267334 split increased to 2 itime 570884 itsplit 1 - acceleration/energy drift too large 6.54840608785262 - 13.9759503442289 split increased to 2 itime 571056 + acceleration/energy drift too large 4.40750343344509 + 12.8537564003751 split increased to 2 itime 571770 itsplit 1 - acceleration/energy drift too large 2.80492652769202 - 12.3897453587319 split increased to 2 itime 574135 + acceleration/energy drift too large 2.60357457143584 + 12.0172387558219 split increased to 2 itime 572645 itsplit 1 - acceleration/energy drift too large 7.95827299688954 - 27.0970890315635 split increased to 2 itime 574629 + acceleration/energy drift too large 4.28848790118803 + 22.9797536450850 split increased to 2 itime 574630 itsplit 1 - acceleration/energy drift too large 4.58484924675718 - 10.2462644251674 split increased to 2 itime 575745 + acceleration/energy drift too large 2.94107489869127 + 14.7461231819051 split increased to 2 itime 575116 itsplit 1 - acceleration/energy drift too large 2.25332404536768 - 12.8302912384764 split increased to 2 itime 577521 + acceleration/energy drift too large 4.76183281721667 + 17.5066907884071 split increased to 2 itime 576450 itsplit 1 - acceleration/energy drift too large 10.4563882258878 - 69.0682147756401 split increased to 2 itime 577843 + acceleration/energy drift too large 3.00658263891984 + 16.5577826207041 split increased to 2 itime 576907 + itsplit 1 + acceleration/energy drift too large 4.02716639838540 + 18.8375298065064 split increased to 2 itime 578113 + itsplit 1 + acceleration/energy drift too large 6.14155914498378 + 21.8450504531363 split increased to 2 itime 578639 + itsplit 1 + acceleration/energy drift too large 3.25974255858672 + 12.0624313444593 split increased to 2 itime 578938 itsplit 1 Velocities reset to random values, time 115999.80 - acceleration/energy drift too large 2.94382091468212 - 15.2183446455799 split increased to 2 itime 587079 + acceleration/energy drift too large 5.40949717213146 + 10.9479542465665 split increased to 2 itime 580478 + itsplit 1 + acceleration/energy drift too large 4.32405326738603 + 13.5297983710899 split increased to 2 itime 581250 itsplit 1 - acceleration/energy drift too large 9.72831816375565 - 40.5767003244547 split increased to 2 itime 588820 + acceleration/energy drift too large 3.51821471873107 + 21.2232918901982 split increased to 2 itime 581474 itsplit 1 - acceleration/energy drift too large 5.29814542992048 - 16.3104778243298 split increased to 2 itime 588879 + acceleration/energy drift too large 5.15572924184785 + 13.0842442905218 split increased to 2 itime 583124 itsplit 1 - acceleration/energy drift too large 4.86769954611960 - 33.4984288460723 split increased to 2 itime 589038 + acceleration/energy drift too large 7.47881219708562 + 20.8939361685842 split increased to 2 itime 584573 itsplit 1 - acceleration/energy drift too large 1.48259598710568 - 11.5791942939149 split increased to 2 itime 589160 + acceleration/energy drift too large 2.61158613580691 + 15.2064485792440 split increased to 2 itime 584705 itsplit 1 - acceleration/energy drift too large 5.99904653062700 - 42.6177655926637 split increased to 2 itime 589366 + acceleration/energy drift too large 9.66270529177386 + 47.1687598825487 split increased to 2 itime 585247 + itsplit 1 + acceleration/energy drift too large 3.99636043375173 + 10.2474209124221 split increased to 2 itime 586145 + itsplit 1 + acceleration/energy drift too large 4.45149824304881 + 11.7627802907390 split increased to 2 itime 586557 + itsplit 1 + acceleration/energy drift too large 2.27782238712532 + 13.7626577018592 split increased to 2 itime 586858 + itsplit 1 + acceleration/energy drift too large 5.70052323789646 + 20.0999924867676 split increased to 2 itime 589054 itsplit 1 Velocities reset to random values, time 117999.80 - acceleration/energy drift too large 2.53215878853365 - 10.7678049460087 split increased to 2 itime 591046 + acceleration/energy drift too large 4.25643984581520 + 17.2027984357466 split increased to 2 itime 592670 + itsplit 1 + acceleration/energy drift too large 3.62273908146870 + 10.2434900330675 split increased to 2 itime 592748 itsplit 1 - acceleration/energy drift too large 6.04885358313373 - 16.3385215728903 split increased to 2 itime 594530 + acceleration/energy drift too large 7.01786000262888 + 15.7131867482425 split increased to 2 itime 593138 itsplit 1 - acceleration/energy drift too large 3.21143097147966 - 17.4828366698872 split increased to 2 itime 595187 + acceleration/energy drift too large 4.64471840380518 + 11.4043754227864 split increased to 2 itime 593187 itsplit 1 - acceleration/energy drift too large 5.82613753161231 - 14.5700923952942 split increased to 2 itime 596338 + acceleration/energy drift too large 5.18130550482570 + 13.9974558926156 split increased to 2 itime 593233 itsplit 1 - acceleration/energy drift too large 8.09167763309047 - 30.6607984676892 split increased to 2 itime 597454 + acceleration/energy drift too large 5.31136065250286 + 11.0875910905249 split increased to 2 itime 594024 itsplit 1 - acceleration/energy drift too large 5.06490467569374 - 15.1352963669831 split increased to 2 itime 597655 + acceleration/energy drift too large 6.29846923578178 + 16.4509275451319 split increased to 2 itime 595029 itsplit 1 - acceleration/energy drift too large 5.95798811350407 - 13.7152227253521 split increased to 2 itime 599854 + acceleration/energy drift too large 5.57681569412490 + 14.1562832302298 split increased to 2 itime 598476 itsplit 1 Velocities reset to random values, time 119999.80 REMD synchro at 600000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 246.597656250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 213.578125000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.66667 6 +ACC 1 250.00000 0.50000 6 ACC 2 260.00000 0.16667 6 -ACC 3 270.00000 0.66667 6 -ACC 4 280.00000 0.33333 6 -ACC 5 290.00000 0.83333 6 -ACC 6 300.00000 0.50000 6 -ACC 7 310.00000 0.50000 6 -ACC 8 320.00000 0.66667 6 -ACC 9 330.00000 0.66667 6 -ACC 10 340.00000 0.66667 6 -ACC 11 350.00000 0.66667 6 -ACC 12 360.00000 1.00000 6 -ACC 13 370.00000 0.83333 6 -ACC 14 380.00000 1.00000 6 -ACC 15 390.00000 0.83333 6 +ACC 3 270.00000 0.83333 6 +ACC 4 280.00000 0.50000 6 +ACC 5 290.00000 0.33333 6 +ACC 6 300.00000 0.83333 6 +ACC 7 310.00000 0.33333 6 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 9.71715874518612 - 59.8032874173844 split increased to 2 itime 607171 - itsplit 1 - acceleration/energy drift too large 4.40624250666789 - 12.4735464516614 split increased to 2 itime 608452 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 10.1826697391455 + 41.7912454451226 split increased to 2 itime 605679 itsplit 1 - acceleration/energy drift too large 4.92471626019456 - 12.8749967985790 split increased to 2 itime 608619 + acceleration/energy drift too large 2.08191847532473 + 16.0499589327684 split increased to 2 itime 605806 itsplit 1 - acceleration/energy drift too large 2.92638293351378 - 17.2687629694548 split increased to 2 itime 608847 + acceleration/energy drift too large 4.36542313451260 + 11.1842159532898 split increased to 2 itime 607158 itsplit 1 -Velocities reset to random values, time 121999.80 - acceleration/energy drift too large 6.76222420680634 - 20.4787665723596 split increased to 2 itime 610526 + acceleration/energy drift too large 4.05636278565401 + 10.4811795051820 split increased to 2 itime 607409 itsplit 1 - acceleration/energy drift too large 5.35938999590726 - 15.7494533417325 split increased to 2 itime 611332 + acceleration/energy drift too large 6.00755839767339 + 22.7194391885864 split increased to 2 itime 609689 itsplit 1 - acceleration/energy drift too large 5.33524414069573 - 10.9140893048528 split increased to 2 itime 612114 +Velocities reset to random values, time 121999.80 + acceleration/energy drift too large 5.26702643319799 + 21.0188876596244 split increased to 2 itime 610980 itsplit 1 - acceleration/energy drift too large 2.85977337754126 - 17.0767507163904 split increased to 2 itime 612265 + acceleration/energy drift too large 3.49993517070752 + 14.9208667751879 split increased to 2 itime 611902 itsplit 1 - acceleration/energy drift too large 3.01761334880526 - 11.9009045695825 split increased to 2 itime 615109 + acceleration/energy drift too large 5.30787101647502 + 17.3073284456886 split increased to 2 itime 612610 itsplit 1 - acceleration/energy drift too large 5.76895029471224 - 14.0020953103614 split increased to 2 itime 616290 + acceleration/energy drift too large 4.93408758467702 + 13.8414734468874 split increased to 2 itime 614457 itsplit 1 -Velocities reset to random values, time 123999.80 - acceleration/energy drift too large 5.00627731892210 - 15.9344036924909 split increased to 2 itime 620150 + acceleration/energy drift too large 5.81231821842087 + 13.2703779255864 split increased to 2 itime 614584 itsplit 1 - acceleration/energy drift too large 5.30241147190562 - 11.3698028078059 split increased to 2 itime 621072 + acceleration/energy drift too large 4.28429651093703 + 11.0344302507079 split increased to 2 itime 615238 itsplit 1 - acceleration/energy drift too large 12.7833135883039 - 67.1337457993802 split increased to 2 itime 621304 + acceleration/energy drift too large 6.11019596537981 + 18.3339914707745 split increased to 2 itime 617134 itsplit 1 - acceleration/energy drift too large 2.32973725771269 - 10.2049498086886 split increased to 4 itime 621304 - itsplit 2 - acceleration/energy drift too large 3.29420355352208 - 12.3258359780711 split increased to 2 itime 622091 + acceleration/energy drift too large 2.88663199403542 + 18.6840947697553 split increased to 2 itime 617177 itsplit 1 - acceleration/energy drift too large 5.71930806506670 - 15.7387058099748 split increased to 2 itime 623030 +Velocities reset to random values, time 123999.80 + acceleration/energy drift too large 7.06655452772110 + 20.7340333908513 split increased to 2 itime 620114 itsplit 1 - acceleration/energy drift too large 6.15119168429779 - 17.2693746264671 split increased to 2 itime 624095 + acceleration/energy drift too large 4.10846101780947 + 11.2753675354034 split increased to 2 itime 626157 itsplit 1 - acceleration/energy drift too large 4.93999527772330 - 13.3315197418524 split increased to 2 itime 625495 + acceleration/energy drift too large 1.29598157690236 + 10.3491236642465 split increased to 2 itime 627305 itsplit 1 - acceleration/energy drift too large 4.60198952011376 - 15.9485900764603 split increased to 2 itime 625821 + acceleration/energy drift too large 6.65521836251923 + 34.5084464911337 split increased to 2 itime 627811 itsplit 1 - acceleration/energy drift too large 12.0556188261804 - 69.8860709807945 split increased to 2 itime 626286 + acceleration/energy drift too large 4.99877099232653 + 16.9679027324202 split increased to 2 itime 628698 itsplit 1 - acceleration/energy drift too large 6.27665329714280 - 26.6759763933355 split increased to 2 itime 627929 + acceleration/energy drift too large 7.01432377711968 + 16.6107616474003 split increased to 2 itime 629441 itsplit 1 - acceleration/energy drift too large 5.16841085528000 - 25.5642572830610 split increased to 2 itime 628484 + acceleration/energy drift too large 3.07969288257490 + 13.9505957060182 split increased to 2 itime 629648 itsplit 1 - acceleration/energy drift too large 5.50937764328620 - 19.4157357197023 split increased to 2 itime 628606 +Velocities reset to random values, time 125999.80 + acceleration/energy drift too large 5.41015268510765 + 13.2926677539453 split increased to 2 itime 633434 itsplit 1 - acceleration/energy drift too large 3.05591740403203 - 24.4386443236678 split increased to 2 itime 629539 + acceleration/energy drift too large 8.13336972974411 + 26.3613037135260 split increased to 2 itime 633598 itsplit 1 - acceleration/energy drift too large 2.76462414439163 - 10.4596700568920 split increased to 2 itime 629713 + acceleration/energy drift too large 6.19913371792766 + 16.5623538038670 split increased to 2 itime 633797 itsplit 1 -Velocities reset to random values, time 125999.80 - acceleration/energy drift too large 5.04120310602140 - 12.6078173736158 split increased to 2 itime 631644 + acceleration/energy drift too large 3.55405865323335 + 10.9466488262826 split increased to 2 itime 633951 itsplit 1 - acceleration/energy drift too large 2.39949902546027 - 17.0504778937893 split increased to 2 itime 632769 + acceleration/energy drift too large 5.91222396039697 + 38.5389846391381 split increased to 2 itime 634129 itsplit 1 - acceleration/energy drift too large 3.34177919588478 - 28.0613572847578 split increased to 2 itime 635478 + acceleration/energy drift too large 8.41007722233682 + 33.8489690773965 split increased to 2 itime 634882 itsplit 1 - acceleration/energy drift too large 5.39761527381098 - 18.3093460100015 split increased to 2 itime 636093 + acceleration/energy drift too large 5.50281701867223 + 11.6766803988950 split increased to 2 itime 635205 itsplit 1 - acceleration/energy drift too large 4.54932031628597 - 13.8642384182678 split increased to 2 itime 639646 + acceleration/energy drift too large 2.54220302850923 + 14.5312745778162 split increased to 2 itime 637020 itsplit 1 Velocities reset to random values, time 127999.80 - acceleration/energy drift too large 6.91273824347971 - 35.1469077072675 split increased to 2 itime 640532 + acceleration/energy drift too large 6.57732641563244 + 30.9490136704118 split increased to 2 itime 642327 itsplit 1 - acceleration/energy drift too large 2.65603008549948 - 13.4475672506537 split increased to 2 itime 642883 + acceleration/energy drift too large 2.25341650320517 + 11.9688353824046 split increased to 2 itime 642675 itsplit 1 - acceleration/energy drift too large 4.39385041471738 - 11.0331370806649 split increased to 2 itime 645983 + acceleration/energy drift too large 5.10118204447355 + 17.2848132575282 split increased to 2 itime 644932 itsplit 1 - acceleration/energy drift too large 7.11392505819986 - 21.3984211886317 split increased to 2 itime 647683 + acceleration/energy drift too large 1.97854392557908 + 11.3176474866967 split increased to 2 itime 645723 itsplit 1 - acceleration/energy drift too large 2.59892604791826 - 10.7126511335512 split increased to 2 itime 649346 + acceleration/energy drift too large 4.69449860319236 + 16.8170439706153 split increased to 2 itime 647485 itsplit 1 - acceleration/energy drift too large 8.43553973350020 - 37.9038255467908 split increased to 2 itime 649675 +Velocities reset to random values, time 129999.80 + acceleration/energy drift too large 2.32708578468694 + 12.1877761595727 split increased to 2 itime 651757 itsplit 1 - acceleration/energy drift too large 2.30066816759875 - 27.7993441832080 split increased to 2 itime 649676 + acceleration/energy drift too large 6.95884308815614 + 20.6067157789001 split increased to 2 itime 652326 itsplit 1 -Velocities reset to random values, time 129999.80 - acceleration/energy drift too large 3.83954662955577 - 10.5153298841480 split increased to 2 itime 651801 + acceleration/energy drift too large 6.54617246651483 + 14.1981421851662 split increased to 2 itime 655794 itsplit 1 - acceleration/energy drift too large 3.76427566550022 - 10.9121844353233 split increased to 2 itime 652185 + acceleration/energy drift too large 7.04776117156244 + 19.0312841917958 split increased to 2 itime 655987 itsplit 1 - acceleration/energy drift too large 2.86185143034784 - 20.4232202744548 split increased to 2 itime 652275 + acceleration/energy drift too large 6.35310973070588 + 17.3514414665284 split increased to 2 itime 656002 itsplit 1 - acceleration/energy drift too large 4.29396444820257 - 10.1068911404815 split increased to 2 itime 654113 + acceleration/energy drift too large 8.10615608132612 + 24.5054745339687 split increased to 2 itime 657169 itsplit 1 - acceleration/energy drift too large 5.76822631513329 - 25.6356596718263 split increased to 2 itime 655791 +Velocities reset to random values, time 131999.80 + acceleration/energy drift too large 7.92456459725167 + 29.9204664741467 split increased to 2 itime 662268 itsplit 1 - acceleration/energy drift too large 1.92256810542904 - 17.0238302079479 split increased to 2 itime 655792 + acceleration/energy drift too large 4.68401598803802 + 14.1284272673549 split increased to 2 itime 662269 itsplit 1 - acceleration/energy drift too large 3.90414522769411 - 13.6878200408195 split increased to 2 itime 657293 + acceleration/energy drift too large 5.66997471279058 + 12.9172560980604 split increased to 2 itime 662517 itsplit 1 - acceleration/energy drift too large 4.73886927221301 - 22.3124043189652 split increased to 2 itime 658104 + acceleration/energy drift too large 4.42091752728146 + 21.3600989437071 split increased to 2 itime 662518 itsplit 1 - acceleration/energy drift too large 5.61217960662995 - 20.8143472632252 split increased to 2 itime 659317 + acceleration/energy drift too large 2.92242286571764 + 10.1222064510257 split increased to 2 itime 662546 itsplit 1 - acceleration/energy drift too large 5.27624729087840 - 11.3642346101039 split increased to 2 itime 659927 + acceleration/energy drift too large 2.40251819154470 + 10.0155988389765 split increased to 2 itime 662554 itsplit 1 -Velocities reset to random values, time 131999.80 - acceleration/energy drift too large 7.27138544505715 - 22.0522021734202 split increased to 2 itime 661344 + acceleration/energy drift too large 4.13888655550485 + 10.2073235737841 split increased to 2 itime 662564 itsplit 1 - acceleration/energy drift too large 6.76997060492267 - 18.7689454989263 split increased to 2 itime 663264 + acceleration/energy drift too large 4.07277182187866 + 12.7474719501635 split increased to 2 itime 664125 itsplit 1 - acceleration/energy drift too large 1.89498881590130 - 11.6924984697133 split increased to 2 itime 663265 + acceleration/energy drift too large 6.38090765019453 + 19.1191742433534 split increased to 2 itime 666765 itsplit 1 - acceleration/energy drift too large 4.71012071753865 - 24.7361124863986 split increased to 2 itime 665990 + acceleration/energy drift too large 6.11219526753053 + 17.8098594205163 split increased to 2 itime 667516 itsplit 1 - acceleration/energy drift too large 4.25256813735382 - 16.7266556658472 split increased to 2 itime 668575 + acceleration/energy drift too large 5.63757747609390 + 19.2680341424867 split increased to 2 itime 669523 itsplit 1 Velocities reset to random values, time 133999.80 - acceleration/energy drift too large 2.97028645724151 - 15.4115514672812 split increased to 2 itime 670170 + acceleration/energy drift too large 3.43226426251918 + 14.6021826966332 split increased to 2 itime 671150 itsplit 1 - acceleration/energy drift too large 4.71276635535120 - 13.9001211104302 split increased to 2 itime 670546 + acceleration/energy drift too large 12.2954901721432 + 79.3717978001933 split increased to 2 itime 671813 itsplit 1 - acceleration/energy drift too large 4.05665159859389 - 13.6518927915944 split increased to 2 itime 670791 + acceleration/energy drift too large 5.95052503323907 + 14.1723596494248 split increased to 2 itime 674212 itsplit 1 - acceleration/energy drift too large 4.81382067786864 - 10.7371078384639 split increased to 2 itime 671360 + acceleration/energy drift too large 7.88411043575611 + 25.5247921278167 split increased to 2 itime 675776 itsplit 1 - acceleration/energy drift too large 2.35211449692875 - 16.1371186919273 split increased to 2 itime 674269 + acceleration/energy drift too large 0.372480997022055 + 14.8861655663944 split increased to 2 itime 675777 itsplit 1 - acceleration/energy drift too large 3.45858212223954 - 10.6453284092327 split increased to 2 itime 676102 + acceleration/energy drift too large 8.95457109688312 + 36.4279299888510 split increased to 2 itime 676854 itsplit 1 - acceleration/energy drift too large 3.18069158781499 - 10.5184494090905 split increased to 2 itime 677010 + acceleration/energy drift too large 4.65139313435401 + 13.8851308471196 split increased to 2 itime 679541 itsplit 1 - acceleration/energy drift too large 8.27044292755897 - 17.8680409062391 split increased to 2 itime 677100 + acceleration/energy drift too large 6.62564046877236 + 20.2017265780920 split increased to 2 itime 679619 itsplit 1 Velocities reset to random values, time 135999.80 - acceleration/energy drift too large 3.81821696054580 - 24.2526821441175 split increased to 2 itime 681744 + acceleration/energy drift too large 5.01735617679267 + 10.9208452140704 split increased to 2 itime 681524 itsplit 1 - acceleration/energy drift too large 6.99061182290122 - 24.7359107735812 split increased to 2 itime 684913 + acceleration/energy drift too large 5.41271132497750 + 17.5846672840452 split increased to 2 itime 683351 itsplit 1 - acceleration/energy drift too large 3.98290241303336 - 11.7275853703771 split increased to 2 itime 686533 + acceleration/energy drift too large 5.78507915999790 + 25.7078840278376 split increased to 2 itime 684644 itsplit 1 - acceleration/energy drift too large 4.86885150597400 - 15.2934903355320 split increased to 2 itime 686885 + acceleration/energy drift too large 1.82286914072632 + 12.0173232854089 split increased to 2 itime 684645 itsplit 1 - acceleration/energy drift too large 4.71754649980239 - 12.8462508471881 split increased to 2 itime 687700 + acceleration/energy drift too large 6.60474337292753 + 14.9237180084655 split increased to 2 itime 684768 itsplit 1 - acceleration/energy drift too large 4.57767748221234 - 11.0000678006552 split increased to 2 itime 688084 + acceleration/energy drift too large 7.45696695677698 + 19.8958136395302 split increased to 2 itime 686851 + itsplit 1 + acceleration/energy drift too large 9.00412483112036 + 37.8041172989329 split increased to 2 itime 687712 itsplit 1 Velocities reset to random values, time 137999.80 - acceleration/energy drift too large 13.2997689068681 - 94.4635984333734 split increased to 2 itime 692228 + acceleration/energy drift too large 5.42042513785700 + 10.9847664127414 split increased to 2 itime 690057 + itsplit 1 + acceleration/energy drift too large 6.37635022065840 + 16.1386143111427 split increased to 2 itime 693484 itsplit 1 - acceleration/energy drift too large 8.77309310113610 - 19.8602818129925 split increased to 2 itime 693015 + acceleration/energy drift too large 3.81401772570808 + 12.4526391448514 split increased to 2 itime 693634 itsplit 1 - acceleration/energy drift too large 3.71047698450896 - 21.9360083048692 split increased to 2 itime 694769 + acceleration/energy drift too large 2.94644550321027 + 16.6975362010955 split increased to 2 itime 694582 + itsplit 1 + acceleration/energy drift too large 6.36073906302701 + 17.3368459504827 split increased to 2 itime 696406 + itsplit 1 + acceleration/energy drift too large 2.21343915119910 + 12.0894867567105 split increased to 2 itime 697437 + itsplit 1 + acceleration/energy drift too large 7.17585688050955 + 20.2696080350779 split increased to 2 itime 697999 + itsplit 1 + acceleration/energy drift too large 7.26916911969444 + 33.7825686222350 split increased to 2 itime 698424 itsplit 1 Velocities reset to random values, time 139999.80 REMD synchro at 700000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 287.238281250000 0.000000000000000E+000 + REMD gather times= 249.257812500000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.57143 7 -ACC 2 260.00000 0.14286 7 -ACC 3 270.00000 0.57143 7 -ACC 4 280.00000 0.42857 7 -ACC 5 290.00000 0.85714 7 -ACC 6 300.00000 0.42857 7 -ACC 7 310.00000 0.57143 7 -ACC 8 320.00000 0.57143 7 -ACC 9 330.00000 0.57143 7 -ACC 10 340.00000 0.71429 7 -ACC 11 350.00000 0.71429 7 -ACC 12 360.00000 1.00000 7 -ACC 13 370.00000 0.85714 7 -ACC 14 380.00000 1.00000 7 -ACC 15 390.00000 0.71429 7 +ACC 1 250.00000 0.42857 7 +ACC 2 260.00000 0.28571 7 +ACC 3 270.00000 0.71429 7 +ACC 4 280.00000 0.57143 7 +ACC 5 290.00000 0.42857 7 +ACC 6 300.00000 0.85714 7 +ACC 7 310.00000 0.42857 7 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 10.3778105513077 - 45.5705698821442 split increased to 2 itime 700713 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 2.98030284213297 + 15.1625602762865 split increased to 2 itime 700751 itsplit 1 - acceleration/energy drift too large 7.27573280681885 - 24.9773549123473 split increased to 2 itime 701689 + acceleration/energy drift too large 5.71090383793302 + 37.3191778288062 split increased to 2 itime 701505 itsplit 1 - acceleration/energy drift too large 6.95000881352936 - 21.0349886412081 split increased to 2 itime 703581 + acceleration/energy drift too large 5.47028002333940 + 11.1668265589130 split increased to 2 itime 705012 itsplit 1 - acceleration/energy drift too large 5.69628876858718 - 23.8161175695906 split increased to 2 itime 704264 + acceleration/energy drift too large 9.24381737363695 + 27.4756289788624 split increased to 2 itime 705930 itsplit 1 - acceleration/energy drift too large 3.93928634771575 - 10.1940724001607 split increased to 2 itime 704705 + acceleration/energy drift too large 3.07612046218623 + 11.3688275786235 split increased to 2 itime 707032 itsplit 1 - acceleration/energy drift too large 6.27973560454849 - 14.9305840329817 split increased to 2 itime 707585 + acceleration/energy drift too large 3.16344110320531 + 15.8654053534958 split increased to 2 itime 708083 itsplit 1 - acceleration/energy drift too large 6.31623307196396 - 19.7653590101662 split increased to 2 itime 707795 +Velocities reset to random values, time 141999.80 + acceleration/energy drift too large 4.31813701557933 + 11.0040763052800 split increased to 2 itime 714449 itsplit 1 - acceleration/energy drift too large 5.64308742094512 - 16.3528520241839 split increased to 2 itime 708635 + acceleration/energy drift too large 6.15219731653343 + 16.2775778065772 split increased to 2 itime 714513 itsplit 1 - acceleration/energy drift too large 4.64674972802479 - 18.9843998879432 split increased to 2 itime 709649 + acceleration/energy drift too large 5.62602409791245 + 15.3081702771435 split increased to 2 itime 714970 itsplit 1 -Velocities reset to random values, time 141999.80 - acceleration/energy drift too large 9.57199415528501 - 44.9230058722958 split increased to 2 itime 710918 + acceleration/energy drift too large 10.3337553633305 + 60.6317231587854 split increased to 2 itime 717330 itsplit 1 - acceleration/energy drift too large 6.27829155238554 - 20.2094809942395 split increased to 2 itime 712410 + acceleration/energy drift too large 11.8189391522868 + 45.9471319802159 split increased to 2 itime 717463 itsplit 1 - acceleration/energy drift too large 4.94108339671913 - 16.2454096534851 split increased to 2 itime 714916 + acceleration/energy drift too large 5.23165544000571 + 19.7176326964173 split increased to 2 itime 718683 itsplit 1 - acceleration/energy drift too large 1.58139072088629 - 11.3134504660929 split increased to 2 itime 717821 +Velocities reset to random values, time 143999.80 + acceleration/energy drift too large 4.25044698354245 + 12.1658595264425 split increased to 2 itime 720033 itsplit 1 - acceleration/energy drift too large 5.62619364680017 - 19.0758211139970 split increased to 2 itime 719701 + acceleration/energy drift too large 3.93007472495615 + 10.6593026675390 split increased to 2 itime 721778 itsplit 1 -Velocities reset to random values, time 143999.80 - acceleration/energy drift too large 8.90664511810799 - 30.7245742938004 split increased to 2 itime 720639 + acceleration/energy drift too large 2.65567495445656 + 15.0880133447686 split increased to 2 itime 722094 itsplit 1 - acceleration/energy drift too large 4.18101659782279 - 14.5463771146216 split increased to 2 itime 721665 + acceleration/energy drift too large 2.16350490198909 + 11.4767823983636 split increased to 2 itime 722428 itsplit 1 - acceleration/energy drift too large 6.31798074268771 - 18.6648250851177 split increased to 2 itime 723347 + acceleration/energy drift too large 2.15690707487652 + 11.3328956959234 split increased to 2 itime 722967 itsplit 1 - acceleration/energy drift too large 5.45922533867425 - 12.5303171763889 split increased to 2 itime 724356 + acceleration/energy drift too large 5.97179433211245 + 40.5769848113480 split increased to 2 itime 723118 itsplit 1 - acceleration/energy drift too large 3.66629266475106 - 14.9568924600617 split increased to 2 itime 727915 + acceleration/energy drift too large 2.03192581473556 + 12.3029425492832 split increased to 2 itime 723298 itsplit 1 - acceleration/energy drift too large 9.13010064304933 - 37.8993733018647 split increased to 2 itime 728265 + acceleration/energy drift too large 4.37978608946097 + 13.0289485268622 split increased to 2 itime 725763 itsplit 1 - acceleration/energy drift too large 5.32719379476917 - 19.3222371399577 split increased to 2 itime 729233 + acceleration/energy drift too large 4.70746540846082 + 19.4115332750815 split increased to 2 itime 729651 itsplit 1 Velocities reset to random values, time 145999.80 - acceleration/energy drift too large 7.21564885130355 - 18.1218745084352 split increased to 2 itime 733183 + acceleration/energy drift too large 5.67933642369643 + 27.5545898543466 split increased to 2 itime 731182 itsplit 1 - acceleration/energy drift too large 4.18084418088015 - 11.0738642328025 split increased to 2 itime 733427 + acceleration/energy drift too large 4.91044429163533 + 11.0650290855092 split increased to 2 itime 732689 itsplit 1 - acceleration/energy drift too large 5.87958189450254 - 24.7461867274068 split increased to 2 itime 735277 + acceleration/energy drift too large 12.9313349885834 + 100.855055605818 split increased to 2 itime 732859 itsplit 1 - acceleration/energy drift too large 6.18748492772104 - 14.9326830525905 split increased to 2 itime 735435 + acceleration/energy drift too large 5.40047850955713 + 21.0988120024570 split increased to 2 itime 734056 itsplit 1 - acceleration/energy drift too large 6.83995181617502 - 16.7581154678553 split increased to 2 itime 737989 + acceleration/energy drift too large 5.95903448404934 + 17.2289731746325 split increased to 2 itime 737306 itsplit 1 - acceleration/energy drift too large 1.67490689483482 - 10.7839989694902 split increased to 2 itime 737990 - itsplit 1 - acceleration/energy drift too large 6.79184559076221 - 15.8180365298599 split increased to 2 itime 739398 + acceleration/energy drift too large 6.10195582226718 + 15.5496311020804 split increased to 2 itime 739478 itsplit 1 Velocities reset to random values, time 147999.80 - acceleration/energy drift too large 3.30831403126013 - 11.1859602450591 split increased to 2 itime 742022 - itsplit 1 - acceleration/energy drift too large 4.07888915912230 - 13.2748829366573 split increased to 2 itime 742027 + acceleration/energy drift too large 3.29104758174081 + 14.9752252848966 split increased to 2 itime 741883 itsplit 1 - acceleration/energy drift too large 5.72499011188089 - 15.3263852424929 split increased to 2 itime 742738 + acceleration/energy drift too large 6.83006285721295 + 22.3448230630498 split increased to 2 itime 744246 itsplit 1 - acceleration/energy drift too large 7.83185407579471 - 19.4951971527134 split increased to 2 itime 743233 + acceleration/energy drift too large 5.20318600541056 + 16.5943072177434 split increased to 2 itime 748159 itsplit 1 - acceleration/energy drift too large 6.52887497863429 - 21.4564475249590 split increased to 2 itime 749310 + acceleration/energy drift too large 4.91874754998559 + 16.9446576882692 split increased to 2 itime 748611 itsplit 1 Velocities reset to random values, time 149999.80 - acceleration/energy drift too large 4.94921375391011 - 12.2242079505662 split increased to 2 itime 750276 + acceleration/energy drift too large 4.90632846478618 + 12.3860408695595 split increased to 2 itime 751255 itsplit 1 - acceleration/energy drift too large 11.1679888745769 - 62.0550631922757 split increased to 2 itime 752053 + acceleration/energy drift too large 2.13094731061705 + 11.6376590061327 split increased to 2 itime 751297 itsplit 1 - acceleration/energy drift too large 4.89572586133282 - 10.7894332258531 split increased to 2 itime 755735 + acceleration/energy drift too large 3.14145091217738 + 10.5515283532828 split increased to 2 itime 752267 itsplit 1 - acceleration/energy drift too large 4.63367814375340 - 16.0053753500892 split increased to 2 itime 755990 + acceleration/energy drift too large 3.20054215997908 + 10.2709420079259 split increased to 2 itime 754025 itsplit 1 - acceleration/energy drift too large 6.70881450263157 - 21.9401424860544 split increased to 2 itime 756758 + acceleration/energy drift too large 4.36258999523956 + 10.6268256606986 split increased to 2 itime 754800 itsplit 1 - acceleration/energy drift too large 2.59574291918531 - 15.1827344266691 split increased to 2 itime 757037 + acceleration/energy drift too large 4.89841056859108 + 11.0970275163120 split increased to 2 itime 758419 itsplit 1 -Velocities reset to random values, time 151999.80 - acceleration/energy drift too large 7.32034953554721 - 19.8162048344026 split increased to 2 itime 760706 + acceleration/energy drift too large 6.50686821938340 + 24.8598229314704 split increased to 2 itime 759009 itsplit 1 - acceleration/energy drift too large 7.48416048631258 - 27.1719402067542 split increased to 2 itime 762342 + acceleration/energy drift too large 4.87447668097329 + 15.2778211283157 split increased to 2 itime 759796 itsplit 1 - acceleration/energy drift too large 4.18588105437259 - 15.4932857043460 split increased to 2 itime 762864 +Velocities reset to random values, time 151999.80 + acceleration/energy drift too large 7.55516668868715 + 26.1276470926576 split increased to 2 itime 760111 itsplit 1 - acceleration/energy drift too large 6.54325795200421 - 20.9453564287120 split increased to 2 itime 763167 + acceleration/energy drift too large 4.38657781232892 + 12.3918964220736 split increased to 2 itime 762997 itsplit 1 - acceleration/energy drift too large 1.45408992370410 - 10.6691353890354 split increased to 2 itime 763168 + acceleration/energy drift too large 5.44902172386597 + 25.2894990201077 split increased to 2 itime 764814 itsplit 1 - acceleration/energy drift too large 2.82344793669962 - 14.7804760111857 split increased to 2 itime 764078 + acceleration/energy drift too large 4.17481262091874 + 14.5503151767629 split increased to 2 itime 765159 itsplit 1 - acceleration/energy drift too large 8.31820693210541 - 33.9992073588097 split increased to 2 itime 766434 + acceleration/energy drift too large 7.10709340958972 + 20.8273817741899 split increased to 2 itime 766245 itsplit 1 - acceleration/energy drift too large 2.96568614245952 - 11.4882593662374 split increased to 2 itime 767142 + acceleration/energy drift too large 1.99202461567939 + 11.5165242173635 split increased to 2 itime 766944 itsplit 1 -Velocities reset to random values, time 153999.80 - acceleration/energy drift too large 6.97846234309328 - 21.1599471495579 split increased to 2 itime 770104 + acceleration/energy drift too large 10.7704259176221 + 59.1151013026033 split increased to 2 itime 768829 itsplit 1 - acceleration/energy drift too large 6.07186105990665 - 17.0411709570779 split increased to 2 itime 772282 +Velocities reset to random values, time 153999.80 + acceleration/energy drift too large 5.56734469738377 + 11.8985602662016 split increased to 2 itime 772340 itsplit 1 - acceleration/energy drift too large 4.13149609079361 - 16.1542632063644 split increased to 2 itime 773044 + acceleration/energy drift too large 6.87876777297084 + 13.4702023046572 split increased to 2 itime 772588 itsplit 1 - acceleration/energy drift too large 3.58024752183285 - 10.9986196865224 split increased to 2 itime 774074 + acceleration/energy drift too large 3.12887624603101 + 23.8560634665886 split increased to 2 itime 774152 itsplit 1 - acceleration/energy drift too large 4.65933869631464 - 11.3020894912283 split increased to 2 itime 775762 + acceleration/energy drift too large 8.13171328729888 + 21.1590630147549 split increased to 2 itime 777549 itsplit 1 - acceleration/energy drift too large 6.64324453541183 - 23.8329909845452 split increased to 2 itime 777131 + acceleration/energy drift too large 5.66291753397399 + 13.1637639245027 split increased to 2 itime 778844 itsplit 1 -Velocities reset to random values, time 155999.80 - acceleration/energy drift too large 6.21725848487174 - 25.5192016738765 split increased to 2 itime 781969 + acceleration/energy drift too large 3.03009952632132 + 10.0947303704778 split increased to 2 itime 779555 itsplit 1 - acceleration/energy drift too large 5.28482788139553 - 11.5832453886868 split increased to 2 itime 782431 + acceleration/energy drift too large 6.24453833384427 + 16.5653679697955 split increased to 2 itime 779924 itsplit 1 - acceleration/energy drift too large 5.41197131488078 - 20.5645222904982 split increased to 2 itime 785602 - itsplit 1 - acceleration/energy drift too large 4.21617607792446 - 12.4151289744401 split increased to 2 itime 785662 +Velocities reset to random values, time 155999.80 + acceleration/energy drift too large 5.34219953382690 + 21.4856701496654 split increased to 2 itime 783634 itsplit 1 - acceleration/energy drift too large 5.65334441539085 - 19.8128836173558 split increased to 2 itime 785798 + acceleration/energy drift too large 4.93612441773943 + 16.6268415803952 split increased to 2 itime 783995 itsplit 1 - acceleration/energy drift too large 6.83070723864076 - 19.6384142278756 split increased to 2 itime 786290 + acceleration/energy drift too large 7.04852799570965 + 28.1098831525805 split increased to 2 itime 784894 itsplit 1 - acceleration/energy drift too large 5.46846480378341 - 13.6903747152896 split increased to 2 itime 786291 + acceleration/energy drift too large 10.5130498736519 + 39.7610736528728 split increased to 2 itime 785437 itsplit 1 - acceleration/energy drift too large 13.0371271915984 - 83.8643176917916 split increased to 2 itime 786459 + acceleration/energy drift too large 3.32516950419957 + 10.2036419622450 split increased to 2 itime 786886 itsplit 1 - acceleration/energy drift too large 2.53750747410760 - 13.1257901957793 split increased to 4 itime 786459 + acceleration/energy drift too large 2.94948989509331 + 12.4765753196234 split increased to 2 itime 786963 itsplit 1 - acceleration/energy drift too large 5.05341198342882 - 18.6910663504077 split increased to 2 itime 786526 + acceleration/energy drift too large 4.32448863635818 + 11.8264753727095 split increased to 2 itime 788845 itsplit 1 - acceleration/energy drift too large 5.54498610041270 - 10.1127896865556 split increased to 2 itime 788113 + acceleration/energy drift too large 4.52540042756541 + 12.6614827064288 split increased to 2 itime 789268 itsplit 1 - acceleration/energy drift too large 2.90616231253841 - 17.3750446284212 split increased to 2 itime 788363 +Velocities reset to random values, time 157999.80 + acceleration/energy drift too large 5.62149948857307 + 12.2612513625804 split increased to 2 itime 793341 itsplit 1 - acceleration/energy drift too large 5.71484421940178 - 14.9752755984658 split increased to 2 itime 788521 + acceleration/energy drift too large 5.11499748938699 + 12.4045664173420 split increased to 2 itime 794942 itsplit 1 -Velocities reset to random values, time 157999.80 - acceleration/energy drift too large 3.48438872244240 - 11.0277705412612 split increased to 2 itime 791053 + acceleration/energy drift too large 13.9429346987763 + 90.5408992953032 split increased to 2 itime 795090 itsplit 1 - acceleration/energy drift too large 7.28480866116712 - 21.8225684294232 split increased to 2 itime 793001 + acceleration/energy drift too large 9.02888476170483 + 37.5845641189447 split increased to 2 itime 795311 itsplit 1 - acceleration/energy drift too large 3.15715745140506 - 17.8421191129000 split increased to 2 itime 793953 + acceleration/energy drift too large 6.94264289745198 + 29.5273436000324 split increased to 2 itime 796331 itsplit 1 - acceleration/energy drift too large 3.15369662510729 - 11.0968276137573 split increased to 2 itime 794883 + acceleration/energy drift too large 6.24721694829120 + 18.8469619626446 split increased to 2 itime 798177 itsplit 1 - acceleration/energy drift too large 7.72057481913265 - 24.8835100133885 split increased to 2 itime 798908 + acceleration/energy drift too large 3.80713794876263 + 16.5316594353654 split increased to 2 itime 799235 itsplit 1 Velocities reset to random values, time 159999.80 REMD synchro at 800000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 328.550781250000 0.000000000000000E+000 + REMD gather times= 284.714843750000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.50000 8 -ACC 2 260.00000 0.12500 8 +ACC 1 250.00000 0.37500 8 +ACC 2 260.00000 0.37500 8 ACC 3 270.00000 0.62500 8 -ACC 4 280.00000 0.37500 8 -ACC 5 290.00000 0.87500 8 -ACC 6 300.00000 0.50000 8 -ACC 7 310.00000 0.50000 8 -ACC 8 320.00000 0.62500 8 -ACC 9 330.00000 0.62500 8 -ACC 10 340.00000 0.75000 8 -ACC 11 350.00000 0.62500 8 -ACC 12 360.00000 0.87500 8 -ACC 13 370.00000 0.87500 8 -ACC 14 380.00000 1.00000 8 -ACC 15 390.00000 0.62500 8 +ACC 4 280.00000 0.50000 8 +ACC 5 290.00000 0.37500 8 +ACC 6 300.00000 0.87500 8 +ACC 7 310.00000 0.37500 8 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 3.38237005481425 - 13.0177372503329 split increased to 2 itime 800382 - itsplit 1 - acceleration/energy drift too large 3.68687740502707 - 13.1131661952979 split increased to 2 itime 800387 - itsplit 1 - acceleration/energy drift too large 6.62429806890289 - 12.2670178116433 split increased to 2 itime 800938 - itsplit 1 - acceleration/energy drift too large 6.00459371892473 - 15.9760740580868 split increased to 2 itime 802758 - itsplit 1 - acceleration/energy drift too large 4.17606065745418 - 10.2323470782529 split increased to 2 itime 803761 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 10.0144928350343 + 46.0587983630557 split increased to 2 itime 800184 itsplit 1 - acceleration/energy drift too large 7.14104757757157 - 20.7982096617325 split increased to 2 itime 804047 + acceleration/energy drift too large 9.67913428379612 + 34.6125778474216 split increased to 2 itime 801078 itsplit 1 - acceleration/energy drift too large 2.83314361087813 - 12.8493895575084 split increased to 4 itime 804047 + acceleration/energy drift too large 9.21822915315924 + 38.5430256778914 split increased to 2 itime 801252 itsplit 1 - acceleration/energy drift too large 3.33130572746387 - 14.4036278564385 split increased to 2 itime 806263 + acceleration/energy drift too large 3.67098221682610 + 10.8190379030996 split increased to 2 itime 801610 itsplit 1 - acceleration/energy drift too large 12.1916474879637 - 56.5697056781182 split increased to 2 itime 807235 + acceleration/energy drift too large 7.46207851205996 + 21.8674945487901 split increased to 2 itime 801703 itsplit 1 - acceleration/energy drift too large 6.24713930055895 - 18.6589292216253 split increased to 2 itime 808243 + acceleration/energy drift too large 4.22127223841129 + 10.6341862990473 split increased to 2 itime 802426 itsplit 1 - acceleration/energy drift too large 6.03295922073790 - 40.7623276865984 split increased to 2 itime 808686 + acceleration/energy drift too large 5.92361270627371 + 20.5542569512312 split increased to 2 itime 802493 itsplit 1 - acceleration/energy drift too large 3.76743568790769 - 14.6040332829347 split increased to 2 itime 809142 + acceleration/energy drift too large 3.67889473156751 + 17.9970430020042 split increased to 2 itime 803169 itsplit 1 - acceleration/energy drift too large 4.13754874438400 - 18.2337725436080 split increased to 2 itime 809623 + acceleration/energy drift too large 4.84987462231309 + 22.0695578112414 split increased to 2 itime 803170 itsplit 1 -Velocities reset to random values, time 161999.80 - acceleration/energy drift too large 4.61915591810941 - 15.2083008276129 split increased to 2 itime 812048 + acceleration/energy drift too large 2.80880270899010 + 11.6125877540408 split increased to 2 itime 803173 itsplit 1 - acceleration/energy drift too large 6.67026259160006 - 16.1113234821336 split increased to 2 itime 813913 + acceleration/energy drift too large 2.20069399925816 + 11.7540052799904 split increased to 2 itime 803175 itsplit 1 - acceleration/energy drift too large 5.58387686436455 - 34.9327419785173 split increased to 2 itime 815133 + acceleration/energy drift too large 1.93841311218965 + 10.9673103458157 split increased to 2 itime 803188 itsplit 1 - acceleration/energy drift too large 4.08276807715154 - 19.0777719391742 split increased to 2 itime 816262 + acceleration/energy drift too large 3.74890290266633 + 10.5486545721318 split increased to 2 itime 804154 itsplit 1 - acceleration/energy drift too large 5.27950585884284 - 24.6189440909066 split increased to 2 itime 816612 + acceleration/energy drift too large 2.02720356783407 + 10.7992613063375 split increased to 2 itime 804449 itsplit 1 - acceleration/energy drift too large 6.81190392531213 - 24.6797017641099 split increased to 2 itime 816866 + acceleration/energy drift too large 3.98562293117618 + 11.7553732630033 split increased to 2 itime 809902 itsplit 1 - acceleration/energy drift too large 2.93320265977883 - 21.3972634743811 split increased to 2 itime 817074 +Velocities reset to random values, time 161999.80 + acceleration/energy drift too large 4.87096072638309 + 11.0529459915446 split increased to 2 itime 810039 itsplit 1 - acceleration/energy drift too large 7.48598917794396 - 32.6082284070652 split increased to 2 itime 817318 + acceleration/energy drift too large 8.68373774528801 + 36.1761213781448 split increased to 2 itime 810230 itsplit 1 - acceleration/energy drift too large 8.26129258186401 - 30.6228226158735 split increased to 2 itime 817966 + acceleration/energy drift too large 2.57542470724827 + 13.8931363367199 split increased to 2 itime 810750 itsplit 1 - acceleration/energy drift too large 4.77570704216971 - 22.0248529530527 split increased to 2 itime 818008 + acceleration/energy drift too large 6.00809410175134 + 16.9402968357086 split increased to 2 itime 811054 itsplit 1 - acceleration/energy drift too large 5.35228511113650 - 15.6578021514609 split increased to 2 itime 818163 + acceleration/energy drift too large 8.44652581265838 + 36.5064080816514 split increased to 2 itime 815721 itsplit 1 - acceleration/energy drift too large 4.46753689895765 - 24.3214321902305 split increased to 2 itime 818329 + acceleration/energy drift too large 4.33950604697843 + 15.5786657428535 split increased to 2 itime 815935 itsplit 1 - acceleration/energy drift too large 8.65704282458737 - 35.8732029872120 split increased to 2 itime 819528 + acceleration/energy drift too large 5.11413516920619 + 14.0176182280197 split increased to 2 itime 816204 itsplit 1 - acceleration/energy drift too large 5.78007710800197 - 22.0861024992975 split increased to 2 itime 819529 + acceleration/energy drift too large 4.19454483712278 + 13.9354615863791 split increased to 2 itime 818031 itsplit 1 - acceleration/energy drift too large 4.87823055857814 - 29.8210517689087 split increased to 2 itime 819530 + acceleration/energy drift too large 4.91974594897374 + 13.7280143898247 split increased to 2 itime 818611 itsplit 1 - acceleration/energy drift too large 5.74715504704695 - 25.1059119223681 split increased to 2 itime 819900 + acceleration/energy drift too large 9.87312029791632 + 47.4730941113071 split increased to 2 itime 819993 itsplit 1 Velocities reset to random values, time 163999.80 - acceleration/energy drift too large 7.76147643858833 - 29.4585233985278 split increased to 2 itime 821760 - itsplit 1 - acceleration/energy drift too large 3.83798515116589 - 13.2033374964672 split increased to 2 itime 821770 + acceleration/energy drift too large 15.9377741735990 + 109.981516963496 split increased to 2 itime 821120 itsplit 1 - acceleration/energy drift too large 2.49919679902956 - 14.0079057484298 split increased to 2 itime 822357 + acceleration/energy drift too large 6.63074424140523 + 18.0853507699415 split increased to 2 itime 823678 itsplit 1 - acceleration/energy drift too large 5.82407528491353 - 25.3257064881128 split increased to 2 itime 824671 + acceleration/energy drift too large 10.9591344221380 + 47.1431574731655 split increased to 2 itime 824191 itsplit 1 - acceleration/energy drift too large 5.32627469315376 - 27.4006405978295 split increased to 2 itime 825001 + acceleration/energy drift too large 9.25693752368486 + 39.1341075826864 split increased to 2 itime 824789 itsplit 1 - acceleration/energy drift too large 2.33214372413994 - 14.2912364737723 split increased to 2 itime 825739 + acceleration/energy drift too large 8.71849456054369 + 48.4489544063948 split increased to 2 itime 824966 itsplit 1 - acceleration/energy drift too large 6.22466386010683 - 17.9960686598819 split increased to 2 itime 826578 + acceleration/energy drift too large 3.08827201160116 + 11.0151583449631 split increased to 2 itime 825055 itsplit 1 - acceleration/energy drift too large 5.40935382198015 - 12.1564640761943 split increased to 2 itime 827613 + acceleration/energy drift too large 4.56866495478599 + 10.8991465341668 split increased to 2 itime 825258 itsplit 1 - acceleration/energy drift too large 6.86826673909432 - 29.2659566477914 split increased to 2 itime 827895 + acceleration/energy drift too large 5.25658901429289 + 12.4805350901147 split increased to 2 itime 825714 itsplit 1 - acceleration/energy drift too large 1.84483561906871 - 10.2687803467267 split increased to 2 itime 827906 + acceleration/energy drift too large 4.39111907265103 + 14.4790466575285 split increased to 2 itime 825921 itsplit 1 - acceleration/energy drift too large 4.41335974905746 - 13.2407898890004 split increased to 2 itime 828514 + acceleration/energy drift too large 3.24206116704603 + 11.3722546117671 split increased to 2 itime 827097 itsplit 1 - acceleration/energy drift too large 3.02034561393073 - 16.6338408090693 split increased to 2 itime 829946 + acceleration/energy drift too large 8.51993720113998 + 30.6829649707022 split increased to 2 itime 828015 itsplit 1 Velocities reset to random values, time 165999.80 - acceleration/energy drift too large 3.08452972545759 - 10.5044340844618 split increased to 2 itime 830652 + acceleration/energy drift too large 6.42081101076982 + 13.0099269447534 split increased to 2 itime 830819 itsplit 1 - acceleration/energy drift too large 4.25104832653793 - 23.6020327369768 split increased to 2 itime 831232 + acceleration/energy drift too large 1.80776064873616 + 12.7339395517631 split increased to 2 itime 832377 itsplit 1 - acceleration/energy drift too large 3.85856743565436 - 17.0170700739114 split increased to 2 itime 831257 + acceleration/energy drift too large 4.38988888384274 + 10.5957972553764 split increased to 2 itime 835491 itsplit 1 - acceleration/energy drift too large 5.83119008389862 - 17.2210768793317 split increased to 2 itime 831821 + acceleration/energy drift too large 5.89014982060224 + 19.0520818918456 split increased to 2 itime 837427 itsplit 1 - acceleration/energy drift too large 2.72811395369507 - 12.2677516099127 split increased to 2 itime 832689 + acceleration/energy drift too large 4.50201334973297 + 13.8031191957497 split increased to 2 itime 838631 itsplit 1 - acceleration/energy drift too large 6.59370874136313 - 28.4885900900972 split increased to 2 itime 835818 + acceleration/energy drift too large 5.35229876809666 + 16.2490178645464 split increased to 2 itime 838981 itsplit 1 - acceleration/energy drift too large 2.43937127054156 - 15.7146173182305 split increased to 2 itime 836053 + acceleration/energy drift too large 4.34739476454139 + 12.0288458334222 split increased to 2 itime 839489 itsplit 1 - acceleration/energy drift too large 6.92352713455002 - 22.3954301350214 split increased to 2 itime 836152 + acceleration/energy drift too large 3.52465961063615 + 29.2643078228743 split increased to 2 itime 839626 itsplit 1 - acceleration/energy drift too large 10.3377921290485 - 65.7154067717737 split increased to 2 itime 836657 +Velocities reset to random values, time 167999.80 + acceleration/energy drift too large 5.31246185846708 + 13.2134611432005 split increased to 2 itime 844267 itsplit 1 - acceleration/energy drift too large 6.19757696466051 - 20.0374099530676 split increased to 2 itime 836994 + acceleration/energy drift too large 4.22856339790588 + 14.1090669451684 split increased to 2 itime 844314 itsplit 1 - acceleration/energy drift too large 2.92297915921742 - 10.2742942501505 split increased to 2 itime 838306 + acceleration/energy drift too large 4.49850003855273 + 12.9163836747232 split increased to 2 itime 845704 itsplit 1 - acceleration/energy drift too large 2.40425053490664 - 10.9015965976524 split increased to 2 itime 838561 + acceleration/energy drift too large 6.30249494047512 + 28.5434324617584 split increased to 2 itime 846302 itsplit 1 - acceleration/energy drift too large 4.97086160917120 - 12.5812660991000 split increased to 2 itime 839160 + acceleration/energy drift too large 6.16627206706531 + 16.1676641049598 split increased to 2 itime 848318 itsplit 1 -Velocities reset to random values, time 167999.80 - acceleration/energy drift too large 4.42382407486215 - 20.5996592580773 split increased to 2 itime 840102 + acceleration/energy drift too large 6.66465120740014 + 12.4535768412289 split increased to 2 itime 848319 itsplit 1 - acceleration/energy drift too large 4.35570287778676 - 12.7768539335291 split increased to 2 itime 840130 + acceleration/energy drift too large 2.60168164857416 + 10.4093413097888 split increased to 2 itime 848695 itsplit 1 - acceleration/energy drift too large 11.9814639271485 - 70.1879084920940 split increased to 2 itime 841497 + acceleration/energy drift too large 5.26486794470177 + 18.9598815595068 split increased to 2 itime 849188 itsplit 1 - acceleration/energy drift too large 3.68225950799101 - 15.1774100075725 split increased to 2 itime 842027 +Velocities reset to random values, time 169999.80 + acceleration/energy drift too large 13.0298598742974 + 81.2739308835526 split increased to 2 itime 852754 itsplit 1 - acceleration/energy drift too large 5.52356101604260 - 21.6925019980335 split increased to 2 itime 842475 + acceleration/energy drift too large 2.67524326156509 + 10.4738163225106 split increased to 2 itime 853951 itsplit 1 - acceleration/energy drift too large 4.84176523358378 - 20.1892075942597 split increased to 2 itime 843439 + acceleration/energy drift too large 8.11850618245344 + 29.5064693231293 split increased to 2 itime 854001 itsplit 1 - acceleration/energy drift too large 4.34206175859455 - 20.2417658406234 split increased to 2 itime 844110 + acceleration/energy drift too large 4.33256648949501 + 15.1909652602891 split increased to 2 itime 854838 itsplit 1 - acceleration/energy drift too large 5.39278510422845 - 11.7355225791856 split increased to 2 itime 847857 + acceleration/energy drift too large 4.89987181187006 + 13.3045706312367 split increased to 2 itime 855379 itsplit 1 - acceleration/energy drift too large 9.32972240718352 - 42.9981090151215 split increased to 2 itime 848216 + acceleration/energy drift too large 5.21325164170653 + 13.6051554895195 split increased to 2 itime 856375 itsplit 1 - acceleration/energy drift too large 2.45326740453658 - 10.4502112328651 split increased to 2 itime 848663 +Velocities reset to random values, time 171999.80 + acceleration/energy drift too large 5.62253943151261 + 12.0553154785889 split increased to 2 itime 861835 itsplit 1 -Velocities reset to random values, time 169999.80 - acceleration/energy drift too large 4.01177317857258 - 15.4009906152363 split increased to 2 itime 852663 + acceleration/energy drift too large 11.5098905658010 + 64.1297798385964 split increased to 2 itime 864256 itsplit 1 - acceleration/energy drift too large 5.32832053515490 - 12.1204317802878 split increased to 2 itime 852686 + acceleration/energy drift too large 5.95422846572068 + 24.4111412286555 split increased to 2 itime 864867 itsplit 1 - acceleration/energy drift too large 3.98636743684713 - 15.6031059097922 split increased to 2 itime 852761 + acceleration/energy drift too large 10.0059611936565 + 48.6694628288689 split increased to 2 itime 864939 itsplit 1 - acceleration/energy drift too large 6.09133283299758 - 19.8555633563983 split increased to 2 itime 854979 + acceleration/energy drift too large 6.07239160356396 + 18.1367592963171 split increased to 2 itime 864943 itsplit 1 - acceleration/energy drift too large 3.29060199291763 - 13.0109398182878 split increased to 2 itime 856327 + acceleration/energy drift too large 6.79703251635262 + 28.0780028472701 split increased to 2 itime 864997 itsplit 1 - acceleration/energy drift too large 5.42684472176758 - 15.2348467137553 split increased to 2 itime 857245 + acceleration/energy drift too large 6.44054448083824 + 25.6458618868649 split increased to 2 itime 865365 itsplit 1 - acceleration/energy drift too large 6.58400124516784 - 20.3796919761434 split increased to 2 itime 859603 + acceleration/energy drift too large 12.8479733705808 + 82.3356861497736 split increased to 2 itime 865795 itsplit 1 -Velocities reset to random values, time 171999.80 - acceleration/energy drift too large 4.80220914999480 - 10.1339151576946 split increased to 2 itime 860051 + acceleration/energy drift too large 5.67198100582150 + 14.3635669094613 split increased to 2 itime 867993 itsplit 1 - acceleration/energy drift too large 5.61406210317378 - 13.1287090195770 split increased to 2 itime 862241 + acceleration/energy drift too large 2.55873507151801 + 13.5959987744691 split increased to 4 itime 867993 itsplit 1 - acceleration/energy drift too large 8.68857308572128 - 35.3468372891964 split increased to 2 itime 862544 + acceleration/energy drift too large 6.66925046678723 + 20.7174585512437 split increased to 2 itime 868118 itsplit 1 - acceleration/energy drift too large 7.72016803392450 - 34.0202217339789 split increased to 2 itime 863102 + acceleration/energy drift too large 4.85842984150068 + 13.7407619414036 split increased to 2 itime 868119 itsplit 1 - acceleration/energy drift too large 4.46722802391829 - 20.6389178636878 split increased to 2 itime 864411 + acceleration/energy drift too large 6.18123136936699 + 21.0148994320121 split increased to 2 itime 868502 itsplit 1 - acceleration/energy drift too large 4.26167219403029 - 17.7515715413730 split increased to 2 itime 865334 +Velocities reset to random values, time 173999.80 + acceleration/energy drift too large 4.09960289409584 + 11.6845142764567 split increased to 2 itime 870938 itsplit 1 - acceleration/energy drift too large 4.22973432515897 - 15.7119262696159 split increased to 2 itime 865360 + acceleration/energy drift too large 11.8856629740383 + 55.6837205809688 split increased to 2 itime 871743 itsplit 1 - acceleration/energy drift too large 3.42514822772696 - 28.5112804028908 split increased to 2 itime 865600 + acceleration/energy drift too large 2.77141098975897 + 18.7426992074569 split increased to 2 itime 872184 itsplit 1 - acceleration/energy drift too large 7.56665436731381 - 13.8427274354859 split increased to 2 itime 866445 + acceleration/energy drift too large 5.58055059921596 + 21.5082750442444 split increased to 2 itime 876225 itsplit 1 - acceleration/energy drift too large 5.75578779139162 - 16.2833218762952 split increased to 2 itime 866518 + acceleration/energy drift too large 7.07838364728875 + 23.3185474257782 split increased to 2 itime 879149 itsplit 1 - acceleration/energy drift too large 14.1661847765509 - 76.8908589401424 split increased to 2 itime 866547 +Velocities reset to random values, time 175999.80 + acceleration/energy drift too large 6.06450737161128 + 13.8408393935212 split increased to 2 itime 880213 itsplit 1 - acceleration/energy drift too large 4.76568051040051 - 17.5682634591496 split increased to 2 itime 866640 + acceleration/energy drift too large 2.44083328422809 + 12.1873872312791 split increased to 2 itime 880617 itsplit 1 - acceleration/energy drift too large 3.61741601860296 - 14.7319553745138 split increased to 2 itime 866664 + acceleration/energy drift too large 5.70632419071672 + 22.5344102485511 split increased to 2 itime 881321 itsplit 1 - acceleration/energy drift too large 4.23149370106149 - 11.2728063972302 split increased to 2 itime 867981 + acceleration/energy drift too large 11.1364225980696 + 52.9374407554207 split increased to 2 itime 882624 itsplit 1 - acceleration/energy drift too large 4.37261015614908 - 16.2752457006339 split increased to 2 itime 868277 + acceleration/energy drift too large 2.69404868633411 + 25.0314716667771 split increased to 2 itime 882625 itsplit 1 - acceleration/energy drift too large 5.39311996656503 - 14.8284667670240 split increased to 2 itime 868886 + acceleration/energy drift too large 4.07903262043377 + 15.9981522958248 split increased to 2 itime 882991 itsplit 1 - acceleration/energy drift too large 6.42637114225298 - 25.3752062598473 split increased to 2 itime 869480 + acceleration/energy drift too large 2.37776622328486 + 14.9803005430461 split increased to 2 itime 883565 itsplit 1 - acceleration/energy drift too large 3.61218759810998 - 10.1041583750837 split increased to 2 itime 869842 + acceleration/energy drift too large 4.49678843943006 + 16.5047470689385 split increased to 2 itime 883611 itsplit 1 -Velocities reset to random values, time 173999.80 - acceleration/energy drift too large 5.26224574508002 - 13.9609489980110 split increased to 2 itime 870684 + acceleration/energy drift too large 3.78563460593629 + 10.1430873009548 split increased to 2 itime 884211 itsplit 1 - acceleration/energy drift too large 4.58902038030952 - 15.1875174577019 split increased to 2 itime 873573 + acceleration/energy drift too large 7.01878127577334 + 25.0847236387067 split increased to 2 itime 886074 itsplit 1 - acceleration/energy drift too large 13.9613658556561 - 89.6770171184682 split increased to 2 itime 876474 + acceleration/energy drift too large 3.80158872123838 + 10.2068109271512 split increased to 2 itime 886373 itsplit 1 - acceleration/energy drift too large 5.19745848633278 - 13.5552548236322 split increased to 2 itime 876664 + acceleration/energy drift too large 4.28239650572156 + 11.2597787978187 split increased to 2 itime 886596 itsplit 1 - acceleration/energy drift too large 7.21262992004234 - 26.1162178372731 split increased to 2 itime 878940 + acceleration/energy drift too large 5.40465436969291 + 28.6547312076001 split increased to 2 itime 887871 itsplit 1 - acceleration/energy drift too large 3.19181255264547 - 26.8749444803355 split increased to 2 itime 879426 + acceleration/energy drift too large 4.31923143103046 + 24.3273951567461 split increased to 2 itime 888818 itsplit 1 -Velocities reset to random values, time 175999.80 - acceleration/energy drift too large 3.06977792748143 - 10.9931982294421 split increased to 2 itime 880666 + acceleration/energy drift too large 4.72528147016538 + 12.9551567293694 split increased to 2 itime 889722 itsplit 1 - acceleration/energy drift too large 2.75694849461784 - 11.7667639269563 split increased to 2 itime 882687 + acceleration/energy drift too large 5.46098934370341 + 20.6799348266644 split increased to 2 itime 889962 itsplit 1 - acceleration/energy drift too large 2.09375992110116 - 12.8053419691018 split increased to 2 itime 882743 +Velocities reset to random values, time 177999.80 + acceleration/energy drift too large 7.51819480280164 + 29.1817566363804 split increased to 2 itime 892426 itsplit 1 - acceleration/energy drift too large 7.06028544458109 - 23.8162294557140 split increased to 2 itime 884464 + acceleration/energy drift too large 5.97703001722951 + 23.9506153447269 split increased to 2 itime 892798 itsplit 1 - acceleration/energy drift too large 4.64639653219010 - 17.7407870408273 split increased to 2 itime 884469 + acceleration/energy drift too large 5.60817642161658 + 14.9382905827300 split increased to 2 itime 893794 itsplit 1 - acceleration/energy drift too large 7.70312672473051 - 16.5990540034600 split increased to 2 itime 885812 + acceleration/energy drift too large 4.67524066026650 + 22.3634233745264 split increased to 2 itime 894416 itsplit 1 - acceleration/energy drift too large 10.5966941671069 - 56.4906800020849 split increased to 2 itime 887024 + acceleration/energy drift too large 3.60360993414457 + 10.3499576745828 split increased to 2 itime 894474 itsplit 1 - acceleration/energy drift too large 4.52503097126906 - 10.1162669551670 split increased to 2 itime 887317 + acceleration/energy drift too large 5.34485999833850 + 15.9867071301139 split increased to 2 itime 894852 itsplit 1 -Velocities reset to random values, time 177999.80 - acceleration/energy drift too large 8.69619961973597 - 34.2998760748367 split increased to 2 itime 893460 + acceleration/energy drift too large 2.16109195155465 + 11.7355654251027 split increased to 2 itime 895621 + itsplit 1 + acceleration/energy drift too large 7.31402839055161 + 24.9696298679990 split increased to 2 itime 896353 itsplit 1 - acceleration/energy drift too large 4.81374567429138 - 21.4606246013860 split increased to 2 itime 894160 + acceleration/energy drift too large 3.99662110447582 + 11.7729831903406 split increased to 2 itime 897081 itsplit 1 - acceleration/energy drift too large 6.40577581382601 - 18.0537684065880 split increased to 2 itime 895597 + acceleration/energy drift too large 2.62587035061923 + 10.5111213158179 split increased to 2 itime 897608 itsplit 1 - acceleration/energy drift too large 8.92645731056566 - 41.9458186500683 split increased to 2 itime 896355 + acceleration/energy drift too large 3.30003708238771 + 13.2445009837186 split increased to 2 itime 897702 itsplit 1 - acceleration/energy drift too large 7.61581689275868 - 20.6076007994704 split increased to 2 itime 898012 + acceleration/energy drift too large 6.88890173447555 + 23.3801083945728 split increased to 2 itime 899814 itsplit 1 Velocities reset to random values, time 179999.80 REMD synchro at 900000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 369.171875000000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 320.140625000000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.44444 9 -ACC 2 260.00000 0.11111 9 +ACC 2 260.00000 0.33333 9 ACC 3 270.00000 0.66667 9 -ACC 4 280.00000 0.33333 9 -ACC 5 290.00000 0.88889 9 -ACC 6 300.00000 0.55556 9 +ACC 4 280.00000 0.44444 9 +ACC 5 290.00000 0.33333 9 +ACC 6 300.00000 0.88889 9 ACC 7 310.00000 0.44444 9 -ACC 8 320.00000 0.55556 9 -ACC 9 330.00000 0.55556 9 -ACC 10 340.00000 0.77778 9 -ACC 11 350.00000 0.55556 9 -ACC 12 360.00000 0.88889 9 -ACC 13 370.00000 0.88889 9 -ACC 14 380.00000 1.00000 9 -ACC 15 390.00000 0.66667 9 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 8.05481103337943 - 31.1250684426175 split increased to 2 itime 900965 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 4.02102462039751 + 15.5158845418606 split increased to 2 itime 900017 itsplit 1 - acceleration/energy drift too large 2.61701571818722 - 11.2523407808492 split increased to 2 itime 901069 + acceleration/energy drift too large 9.95066889248625 + 38.2856474988534 split increased to 2 itime 900631 itsplit 1 - acceleration/energy drift too large 5.02527464245620 - 30.8075250634187 split increased to 2 itime 902459 + acceleration/energy drift too large 7.26772023845555 + 19.7873137722317 split increased to 2 itime 901933 itsplit 1 - acceleration/energy drift too large 3.63754398330254 - 13.0323950177681 split increased to 2 itime 905694 + acceleration/energy drift too large 5.53284030360315 + 14.9272744165065 split increased to 2 itime 904350 itsplit 1 - acceleration/energy drift too large 5.15769862220467 - 20.1188377501454 split increased to 2 itime 909430 + acceleration/energy drift too large 5.92931777397568 + 12.2224770238185 split increased to 2 itime 904769 itsplit 1 - acceleration/energy drift too large 7.64897381808747 - 43.5816957290465 split increased to 2 itime 909945 + acceleration/energy drift too large 3.61806117379579 + 11.2035566868003 split increased to 2 itime 905337 itsplit 1 -Velocities reset to random values, time 181999.80 - acceleration/energy drift too large 6.43965794544967 - 19.4895452720833 split increased to 2 itime 915325 + acceleration/energy drift too large 3.65666446572350 + 12.0245910820428 split increased to 2 itime 905566 + itsplit 1 + acceleration/energy drift too large 4.81188412293407 + 27.1815982405668 split increased to 2 itime 905770 itsplit 1 - acceleration/energy drift too large 3.57245023717684 - 12.2804834660481 split increased to 2 itime 917812 + acceleration/energy drift too large 9.44011008821913 + 44.6930462719070 split increased to 2 itime 907564 + itsplit 1 +Velocities reset to random values, time 181999.80 + acceleration/energy drift too large 3.47935913884670 + 10.9130364521585 split increased to 2 itime 910167 itsplit 1 - acceleration/energy drift too large 2.76618512052184 - 16.0797115374640 split increased to 2 itime 918571 + acceleration/energy drift too large 5.86804986697991 + 19.7405569363795 split increased to 2 itime 911148 itsplit 1 - acceleration/energy drift too large 3.93706142966390 - 13.8735354497499 split increased to 2 itime 918967 + acceleration/energy drift too large 7.39829212836566 + 29.5947845868958 split increased to 2 itime 911179 itsplit 1 - acceleration/energy drift too large 5.55311303360152 - 10.7282234186528 split increased to 2 itime 919348 + acceleration/energy drift too large 4.74640450390593 + 14.6558230328883 split increased to 2 itime 916329 itsplit 1 Velocities reset to random values, time 183999.80 - acceleration/energy drift too large 2.69169427088324 - 11.0914612938132 split increased to 2 itime 920811 + acceleration/energy drift too large 8.33768525225879 + 26.7601376909023 split increased to 2 itime 923259 itsplit 1 - acceleration/energy drift too large 6.22566156787866 - 15.1582361098060 split increased to 2 itime 921276 + acceleration/energy drift too large 5.00286295485396 + 12.2284963291578 split increased to 2 itime 924468 itsplit 1 - acceleration/energy drift too large 2.98890256972757 - 11.1881202362247 split increased to 2 itime 921277 + acceleration/energy drift too large 4.36210392322541 + 11.1720820582765 split increased to 2 itime 924764 itsplit 1 - acceleration/energy drift too large 5.27814141151621 - 10.6341631584489 split increased to 2 itime 925823 + acceleration/energy drift too large 4.80276280133636 + 10.0655805737303 split increased to 2 itime 924779 itsplit 1 - acceleration/energy drift too large 5.81284524109278 - 24.5891252197165 split increased to 2 itime 927653 + acceleration/energy drift too large 4.73355568731303 + 11.0876632017267 split increased to 2 itime 927814 itsplit 1 - acceleration/energy drift too large 5.48119060386932 - 10.8480485065602 split increased to 2 itime 927898 + acceleration/energy drift too large 4.52771871998047 + 15.7437500710010 split increased to 2 itime 928160 itsplit 1 - acceleration/energy drift too large 8.51979883796464 - 42.4999980680505 split increased to 2 itime 928346 + acceleration/energy drift too large 5.88902423847263 + 13.7197167541697 split increased to 2 itime 928574 itsplit 1 -Velocities reset to random values, time 185999.80 - acceleration/energy drift too large 4.80529118356420 - 25.2031100504070 split increased to 2 itime 930834 + acceleration/energy drift too large 2.52971815358813 + 10.5499573088917 split increased to 2 itime 928749 itsplit 1 - acceleration/energy drift too large 5.02860584553965 - 12.7568458295912 split increased to 2 itime 931692 + acceleration/energy drift too large 4.42766245048050 + 13.6332822550316 split increased to 2 itime 928938 itsplit 1 - acceleration/energy drift too large 4.89229708246707 - 12.5377126475266 split increased to 2 itime 932447 +Velocities reset to random values, time 185999.80 + acceleration/energy drift too large 5.78894535827073 + 16.5242636974396 split increased to 2 itime 930990 itsplit 1 - acceleration/energy drift too large 4.55470478641012 - 12.4519867462869 split increased to 2 itime 934346 + acceleration/energy drift too large 5.46936648282992 + 10.8571743406201 split increased to 2 itime 934518 itsplit 1 - acceleration/energy drift too large 4.69468097998586 - 11.9087258610449 split increased to 2 itime 934689 + acceleration/energy drift too large 11.1896592795188 + 63.2275259316027 split increased to 2 itime 935252 itsplit 1 - acceleration/energy drift too large 3.18264593449796 - 11.0633353061993 split increased to 2 itime 934793 + acceleration/energy drift too large 5.58366120202778 + 12.3270695292112 split increased to 2 itime 936712 itsplit 1 - acceleration/energy drift too large 4.53434968843685 - 24.6277881599707 split increased to 2 itime 935343 + acceleration/energy drift too large 4.87183193633604 + 15.3028708793998 split increased to 2 itime 937239 itsplit 1 - acceleration/energy drift too large 4.90733753505980 - 10.5255027704337 split increased to 2 itime 935641 + acceleration/energy drift too large 5.35894933532379 + 15.5574215129715 split increased to 2 itime 939834 itsplit 1 - acceleration/energy drift too large 2.75682345103759 - 19.4700407057487 split increased to 2 itime 936307 +Velocities reset to random values, time 187999.80 + acceleration/energy drift too large 8.75652205516846 + 42.3448020237503 split increased to 2 itime 940032 itsplit 1 - acceleration/energy drift too large 4.60486379485938 - 10.2498467363683 split increased to 2 itime 936429 + acceleration/energy drift too large 4.16581971210663 + 12.0111211699114 split increased to 2 itime 940312 itsplit 1 - acceleration/energy drift too large 5.79733375322079 - 24.1610180437751 split increased to 2 itime 937093 + acceleration/energy drift too large 9.09327995154482 + 44.3598102183579 split increased to 2 itime 941006 itsplit 1 - acceleration/energy drift too large 5.51725381536469 - 32.0439873409124 split increased to 2 itime 937975 + acceleration/energy drift too large 9.79209629953121 + 34.4151974769309 split increased to 2 itime 944800 itsplit 1 - acceleration/energy drift too large 6.51073858825441 - 28.7804807643715 split increased to 2 itime 939602 + acceleration/energy drift too large 4.79085823006709 + 15.3570669671860 split increased to 2 itime 945143 itsplit 1 -Velocities reset to random values, time 187999.80 - acceleration/energy drift too large 4.69124760082540 - 18.9492456626369 split increased to 2 itime 940209 + acceleration/energy drift too large 5.62119810150331 + 11.4946190870664 split increased to 2 itime 947983 itsplit 1 - acceleration/energy drift too large 6.74917361811743 - 26.4067228155295 split increased to 2 itime 940552 +Velocities reset to random values, time 189999.80 + acceleration/energy drift too large 9.01260765622814 + 36.8040462033477 split increased to 2 itime 952088 itsplit 1 - acceleration/energy drift too large 2.30403830889995 - 11.0353766604116 split increased to 2 itime 940553 + acceleration/energy drift too large 4.28631414665599 + 10.9544997348908 split increased to 2 itime 953933 itsplit 1 - acceleration/energy drift too large 7.58938092984247 - 22.9615923802984 split increased to 2 itime 942358 + acceleration/energy drift too large 5.88006558337162 + 21.0222544784692 split increased to 2 itime 954315 itsplit 1 - acceleration/energy drift too large 2.76641659989110 - 14.3964130983322 split increased to 2 itime 942788 + acceleration/energy drift too large 12.5318100842654 + 64.0937037898180 split increased to 2 itime 954517 itsplit 1 -Velocities reset to random values, time 189999.80 - acceleration/energy drift too large 6.58530653390531 - 22.4859420632773 split increased to 2 itime 953719 + acceleration/energy drift too large 7.61431887221103 + 32.9230559357062 split increased to 2 itime 956060 itsplit 1 - acceleration/energy drift too large 2.20946495883106 - 11.2370277953960 split increased to 2 itime 953862 + acceleration/energy drift too large 6.83413599917343 + 21.8122442133075 split increased to 2 itime 957034 itsplit 1 - acceleration/energy drift too large 5.02444840583848 - 16.0241584872741 split increased to 2 itime 955055 + acceleration/energy drift too large 4.57167773729675 + 13.7163921298763 split increased to 2 itime 957164 itsplit 1 -Velocities reset to random values, time 191999.80 - acceleration/energy drift too large 2.10299074366612 - 19.5004738340991 split increased to 2 itime 960574 + acceleration/energy drift too large 5.93638867619750 + 24.2036767077889 split increased to 2 itime 958494 itsplit 1 - acceleration/energy drift too large 5.41995275991857 - 17.5218697503181 split increased to 2 itime 961110 + acceleration/energy drift too large 3.73557581742689 + 10.6697998114572 split increased to 2 itime 959669 itsplit 1 - acceleration/energy drift too large 11.9102885387065 - 71.0034174953536 split increased to 2 itime 965692 +Velocities reset to random values, time 191999.80 + acceleration/energy drift too large 4.95370891254555 + 14.5871931769989 split increased to 2 itime 966265 itsplit 1 - acceleration/energy drift too large 11.1274389276124 - 65.4047394032986 split increased to 2 itime 966331 + acceleration/energy drift too large 5.14283888419026 + 11.6176509719937 split increased to 2 itime 968672 itsplit 1 - acceleration/energy drift too large 4.24867145405369 - 12.0764923969973 split increased to 2 itime 966904 +Velocities reset to random values, time 193999.80 + acceleration/energy drift too large 2.54722250202266 + 14.7736679081352 split increased to 2 itime 970031 itsplit 1 - acceleration/energy drift too large 3.82817695875608 - 10.1489345125422 split increased to 2 itime 966955 + acceleration/energy drift too large 5.90736879035105 + 17.6400505547968 split increased to 2 itime 970191 itsplit 1 - acceleration/energy drift too large 7.47896016748512 - 27.6262383698179 split increased to 2 itime 968640 + acceleration/energy drift too large 4.12138474641927 + 11.2089675568162 split increased to 2 itime 970527 itsplit 1 -Velocities reset to random values, time 193999.80 - acceleration/energy drift too large 3.94393782285029 - 10.5862614622132 split increased to 2 itime 972125 + acceleration/energy drift too large 6.35086336317172 + 17.7636912400641 split increased to 2 itime 972353 itsplit 1 - acceleration/energy drift too large 5.76091206616941 - 11.5268674559521 split increased to 2 itime 975965 + acceleration/energy drift too large 2.80461369830794 + 17.3370195842921 split increased to 2 itime 974770 itsplit 1 - acceleration/energy drift too large 5.71679793282402 - 14.0795604230499 split increased to 2 itime 977564 + acceleration/energy drift too large 5.99120168771684 + 17.1668066777551 split increased to 2 itime 975322 itsplit 1 - acceleration/energy drift too large 3.62396320322734 - 28.6225936301255 split increased to 2 itime 979056 + acceleration/energy drift too large 4.78121785476616 + 14.8037195282929 split increased to 2 itime 977016 itsplit 1 Velocities reset to random values, time 195999.80 - acceleration/energy drift too large 4.18453503321953 - 11.0635650122307 split increased to 2 itime 980017 + acceleration/energy drift too large 5.09403158216797 + 11.1473384486920 split increased to 2 itime 982021 + itsplit 1 + acceleration/energy drift too large 12.7596230209904 + 81.6811570703305 split increased to 2 itime 983781 itsplit 1 - acceleration/energy drift too large 7.73835889693810 - 24.2414778992307 split increased to 2 itime 980985 + acceleration/energy drift too large 4.32252378337932 + 12.2900658605979 split increased to 2 itime 984232 itsplit 1 - acceleration/energy drift too large 12.3730317994160 - 71.8787411639125 split increased to 2 itime 981576 + acceleration/energy drift too large 5.23070207836692 + 12.8880537984517 split increased to 2 itime 988098 itsplit 1 - acceleration/energy drift too large 1.75743579269170 - 12.6933438961326 split increased to 2 itime 983419 + acceleration/energy drift too large 4.96756691083512 + 15.0476790121644 split increased to 2 itime 988443 itsplit 1 - acceleration/energy drift too large 6.32615527831737 - 17.2147332675926 split increased to 2 itime 985069 + acceleration/energy drift too large 5.78320807262524 + 15.1155532952766 split increased to 2 itime 989460 itsplit 1 Velocities reset to random values, time 197999.80 - acceleration/energy drift too large 6.26052207476379 - 18.1020521060995 split increased to 2 itime 991330 + acceleration/energy drift too large 10.1399894277332 + 45.3787328975799 split increased to 2 itime 990530 + itsplit 1 + acceleration/energy drift too large 6.88354063519417 + 20.6503767723630 split increased to 2 itime 990706 + itsplit 1 + acceleration/energy drift too large 7.20759831085889 + 20.0281551376275 split increased to 2 itime 991951 itsplit 1 - acceleration/energy drift too large 4.67394120722699 - 10.8622066679894 split increased to 2 itime 994289 + acceleration/energy drift too large 5.95745404256432 + 17.9047913882102 split increased to 2 itime 993004 itsplit 1 - acceleration/energy drift too large 5.22911240035505 - 12.3138345895850 split increased to 2 itime 995212 + acceleration/energy drift too large 4.12246249496279 + 14.0634875512511 split increased to 2 itime 993765 itsplit 1 - acceleration/energy drift too large 6.33230397412798 - 16.8702364297813 split increased to 2 itime 996909 + acceleration/energy drift too large 8.15505785233677 + 31.0777528362094 split increased to 2 itime 998681 itsplit 1 - acceleration/energy drift too large 4.53146621264599 - 18.1733607039933 split increased to 2 itime 998421 + acceleration/energy drift too large 3.10210845850870 + 14.5772770062321 split increased to 2 itime 998682 itsplit 1 Velocities reset to random values, time 199999.80 REMD synchro at 1000000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 writing restart at the end of run @@ -3318,12 +2951,12 @@ Velocities reset to random values, time 199999.80 =================================== Timing =================================== MD calculations setup: 1.17188E-02 - Energy & gradient evaluation: 3.75598E+02 + Energy & gradient evaluation: 3.33598E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.09824E+02 + MD steps: 3.55590E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 409.886718750000 sec + Total wall clock time 355.636718750000 sec diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB000.stat b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB000.stat index 194da08..b42f7ad 100644 --- a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB000.stat +++ b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB000.stat @@ -1,101 +1,101 @@ - 0 0.00 26.352 24.996 51.347 12.87 0.000 NaN NaN 0.711 239.075 250.000 15.552 0 - 10000 2000.00 22.203 -34.358 -12.156 5.74 0.143 0.800 0.355 1.330 201.435 250.000 8.639 0 - 20000 4000.00 30.840 -26.930 3.910 5.73 0.143 0.667 0.220 1.379 279.793 250.000 8.599 0 - 30000 6000.00 26.527 -54.844 -28.317 6.57 0.214 0.769 0.217 1.916 240.666 250.000 7.134 0 - 40000 8000.00 27.830 -43.167 -15.337 4.69 0.357 0.667 0.218 1.879 252.488 250.000 6.718 0 - 50000 10000.00 27.494 -43.577 -16.083 4.37 0.286 0.667 0.292 1.641 249.438 250.000 6.640 0 - 60000 12000.00 24.788 -50.373 -25.586 4.64 0.429 0.667 0.293 1.724 224.886 250.000 6.411 0 - 70000 14000.00 26.175 -54.587 -28.412 4.70 0.357 0.615 0.245 1.238 237.476 250.000 6.732 0 - 80000 16000.00 30.921 -45.917 -14.995 5.13 0.286 0.667 0.250 1.369 280.536 250.000 6.959 0 - 90000 18000.00 22.679 -55.173 -32.494 4.81 0.357 0.615 0.269 1.510 205.756 250.000 6.548 0 - 100000 20000.00 24.408 -50.728 -26.321 5.66 0.286 0.692 0.266 1.713 221.438 250.000 6.877 0 - 110000 22000.00 30.089 -54.669 -24.580 5.19 0.500 0.588 0.318 2.310 272.986 260.000 6.700 0 - 120000 24000.00 26.458 -35.253 -8.795 6.07 0.286 0.556 0.187 1.460 240.040 260.000 7.415 0 - 130000 26000.00 25.670 -44.563 -18.894 4.42 0.429 0.625 0.315 1.159 232.888 260.000 6.313 0 - 140000 28000.00 23.876 -43.699 -19.822 4.42 0.429 0.500 0.303 2.242 216.617 260.000 6.825 0 - 150000 30000.00 29.003 -44.179 -15.176 4.83 0.286 0.692 0.304 1.720 263.129 260.000 6.779 0 - 160000 32000.00 25.578 -49.286 -23.708 4.93 0.214 0.786 0.263 1.455 232.056 260.000 6.668 0 - 170000 34000.00 35.122 -46.624 -11.501 4.90 0.286 0.667 0.258 1.695 318.648 260.000 6.992 0 - 180000 36000.00 20.125 -56.016 -35.890 6.17 0.286 0.800 0.366 2.939 182.585 260.000 6.497 0 - 190000 38000.00 21.034 -47.351 -26.317 5.23 0.286 0.692 0.297 1.210 190.831 260.000 6.749 0 - 200000 40000.00 23.352 -43.119 -19.768 4.19 0.286 0.692 0.297 1.891 211.858 260.000 7.083 0 - 210000 42000.00 27.931 -45.268 -17.337 6.12 0.286 0.789 0.297 1.794 253.406 260.000 6.533 0 - 220000 44000.00 25.308 -47.685 -22.377 4.12 0.357 0.722 0.311 2.115 229.605 260.000 6.415 0 - 230000 46000.00 24.227 -54.132 -29.906 4.61 0.357 0.706 0.361 1.126 219.797 260.000 6.559 0 - 240000 48000.00 17.866 -38.734 -20.868 4.95 0.214 0.786 0.383 1.201 162.089 260.000 7.105 0 - 250000 50000.00 27.084 -37.631 -10.547 4.95 0.214 0.769 0.325 2.563 245.717 260.000 7.080 0 - 260000 52000.00 28.201 -31.792 -3.592 5.27 0.143 0.833 0.318 1.362 255.851 260.000 7.509 0 - 270000 54000.00 25.891 -43.770 -17.879 4.27 0.286 0.765 0.340 1.990 234.897 260.000 7.153 0 - 280000 56000.00 22.714 -54.003 -31.289 4.33 0.286 0.714 0.377 1.718 206.074 260.000 6.965 0 - 290000 58000.00 18.612 -40.447 -21.835 4.89 0.143 0.818 0.380 1.597 168.855 260.000 7.210 0 - 300000 60000.00 28.528 -43.104 -14.577 4.35 0.286 0.600 0.232 3.888 258.817 260.000 7.119 0 - 310000 62000.00 23.392 -57.993 -34.601 4.55 0.357 0.667 0.333 2.259 212.226 250.000 6.939 0 - 320000 64000.00 18.534 -54.018 -35.484 4.69 0.357 0.688 0.230 1.452 168.146 250.000 7.042 0 - 330000 66000.00 20.324 -48.383 -28.060 4.65 0.286 0.714 0.273 1.125 184.386 250.000 6.911 0 - 340000 68000.00 22.969 -62.026 -39.057 2.42 0.500 0.611 0.293 1.217 208.384 250.000 6.465 0 - 350000 70000.00 23.711 -61.337 -37.626 1.57 0.643 0.400 0.355 1.473 215.115 250.000 6.523 0 - 360000 72000.00 21.700 -52.118 -30.417 3.15 0.429 0.538 0.189 0.970 196.877 250.000 7.069 0 - 370000 74000.00 20.800 -61.892 -41.093 2.47 0.357 0.643 0.302 0.937 188.705 250.000 6.409 0 - 380000 76000.00 19.073 -57.598 -38.525 2.30 0.286 0.733 0.279 0.889 173.038 250.000 6.394 0 - 390000 78000.00 21.766 -58.237 -36.471 3.46 0.357 0.667 0.230 1.834 197.474 250.000 6.765 0 - 400000 80000.00 17.557 -42.029 -24.472 2.08 0.429 0.500 0.227 1.417 159.286 250.000 6.776 0 - 410000 82000.00 25.572 -42.031 -16.458 2.21 0.357 0.615 0.248 1.138 232.006 260.000 6.613 0 - 420000 84000.00 26.338 -42.179 -15.841 7.57 0.214 0.625 0.199 2.438 238.954 260.000 8.335 0 - 430000 86000.00 31.405 -54.469 -23.064 3.97 0.214 0.750 0.189 2.043 284.924 260.000 7.444 0 - 440000 88000.00 27.496 -52.964 -25.468 3.39 0.214 0.800 0.221 3.606 249.459 260.000 7.002 0 - 450000 90000.00 27.188 -54.816 -27.629 3.36 0.286 0.714 0.208 1.378 246.661 260.000 6.667 0 - 460000 92000.00 30.453 -58.621 -28.169 3.42 0.357 0.667 0.258 2.288 276.283 260.000 6.787 0 - 470000 94000.00 24.998 -53.274 -28.277 4.32 0.071 0.900 0.191 1.943 226.792 260.000 7.646 0 - 480000 96000.00 22.888 -56.697 -33.809 3.02 0.357 0.762 0.251 0.909 207.651 260.000 6.756 0 - 490000 98000.00 29.178 -49.922 -20.744 3.08 0.214 0.786 0.221 1.637 264.719 260.000 6.389 0 - 500000 100000.00 17.594 -54.051 -36.457 3.46 0.429 0.625 0.188 0.961 159.619 260.000 7.191 0 - 510000 102000.00 25.874 -63.547 -37.674 2.98 0.214 0.750 0.231 0.887 234.738 250.000 6.775 0 - 520000 104000.00 30.122 -59.116 -28.994 3.20 0.357 0.688 0.250 1.215 273.278 250.000 6.546 0 - 530000 106000.00 26.807 -63.515 -36.708 3.14 0.429 0.647 0.209 1.373 243.206 250.000 6.699 0 - 540000 108000.00 29.448 -59.897 -30.449 3.08 0.357 0.750 0.236 2.182 267.167 250.000 6.598 0 - 550000 110000.00 27.653 -62.397 -34.744 3.39 0.286 0.765 0.262 1.253 250.881 250.000 6.784 0 - 560000 112000.00 24.103 -60.152 -36.049 3.34 0.429 0.647 0.209 1.463 218.679 250.000 6.776 0 - 570000 114000.00 23.610 -60.469 -36.859 2.96 0.429 0.647 0.214 1.086 214.206 250.000 6.723 0 - 580000 116000.00 21.736 -67.387 -45.651 3.23 0.286 0.765 0.259 1.617 197.203 250.000 6.641 0 - 590000 118000.00 24.960 -52.487 -27.527 3.35 0.286 0.600 0.209 1.001 226.449 250.000 7.217 0 - 600000 120000.00 23.685 -61.112 -37.427 3.10 0.429 0.667 0.197 1.058 214.882 250.000 6.561 0 - 610000 122000.00 23.214 -59.542 -36.328 3.22 0.357 0.750 0.286 2.830 210.612 250.000 6.401 0 - 620000 124000.00 19.479 -64.955 -45.476 3.23 0.214 0.800 0.239 1.139 176.720 250.000 6.802 0 - 630000 126000.00 24.150 -58.914 -34.764 2.85 0.286 0.765 0.193 1.377 219.101 250.000 6.587 0 - 640000 128000.00 26.238 -64.017 -37.779 3.19 0.357 0.737 0.220 1.383 238.047 250.000 6.645 0 - 650000 130000.00 21.962 -64.147 -42.185 3.01 0.429 0.647 0.243 0.978 199.251 250.000 6.449 0 - 660000 132000.00 30.149 -68.250 -38.101 3.31 0.429 0.714 0.219 2.205 273.531 250.000 6.741 0 - 670000 134000.00 25.508 -60.903 -35.395 3.14 0.286 0.765 0.233 1.270 231.421 250.000 6.829 0 - 680000 136000.00 24.046 -55.684 -31.638 3.11 0.500 0.611 0.212 1.566 218.156 250.000 6.809 0 - 690000 138000.00 20.132 -62.676 -42.543 2.87 0.357 0.706 0.267 2.334 182.651 250.000 6.640 0 - 700000 140000.00 27.426 -59.640 -32.214 3.06 0.214 0.750 0.197 1.481 248.821 250.000 6.890 0 - 710000 142000.00 25.666 -57.390 -31.724 3.45 0.214 0.769 0.245 1.223 232.856 250.000 7.070 0 - 720000 144000.00 30.439 -66.835 -36.395 3.36 0.429 0.684 0.218 1.448 276.160 250.000 6.623 0 - 730000 146000.00 23.238 -57.144 -33.905 3.40 0.500 0.588 0.235 1.566 210.831 250.000 6.610 0 - 740000 148000.00 23.459 -57.669 -34.210 2.95 0.286 0.714 0.247 1.641 212.830 250.000 6.506 0 - 750000 150000.00 25.900 -53.164 -27.264 3.24 0.429 0.625 0.219 2.724 234.979 250.000 6.649 0 - 760000 152000.00 20.852 -71.496 -50.645 3.20 0.429 0.750 0.269 0.894 189.178 250.000 6.469 0 - 770000 154000.00 25.340 -66.499 -41.159 3.08 0.357 0.706 0.227 1.502 229.899 250.000 6.782 0 - 780000 156000.00 23.260 -62.370 -39.110 3.00 0.429 0.727 0.271 1.874 211.023 250.000 6.612 0 - 790000 158000.00 22.995 -65.495 -42.501 3.24 0.357 0.750 0.234 1.061 208.618 250.000 6.560 0 - 800000 160000.00 24.795 -57.526 -32.730 3.56 0.214 0.800 0.324 1.314 224.956 250.000 6.630 0 - 810000 162000.00 27.402 -64.356 -36.954 3.34 0.429 0.700 0.255 1.311 248.604 250.000 6.207 0 - 820000 164000.00 27.651 -62.780 -35.129 3.04 0.214 0.824 0.235 2.019 250.865 250.000 6.326 0 - 830000 166000.00 22.214 -59.099 -36.885 3.16 0.286 0.765 0.227 0.909 201.539 250.000 6.935 0 - 840000 168000.00 24.978 -62.081 -37.103 3.32 0.500 0.588 0.230 1.364 226.612 250.000 6.687 0 - 850000 170000.00 28.624 -56.166 -27.541 3.26 0.286 0.692 0.213 1.564 259.694 250.000 6.823 0 - 860000 172000.00 20.301 -57.552 -37.251 3.65 0.357 0.706 0.235 1.067 184.180 250.000 6.577 0 - 870000 174000.00 25.095 -51.366 -26.271 4.20 0.429 0.600 0.203 0.671 227.674 250.000 7.357 0 - 880000 176000.00 23.601 -63.182 -39.581 3.19 0.429 0.684 0.251 1.001 214.118 250.000 6.591 0 - 890000 178000.00 23.501 -59.455 -35.954 3.31 0.357 0.688 0.222 2.350 213.214 250.000 6.783 0 - 900000 180000.00 24.840 -66.913 -42.073 3.15 0.429 0.700 0.218 1.350 225.359 250.000 6.665 0 - 910000 182000.00 19.377 -61.309 -41.931 2.98 0.357 0.750 0.234 1.012 175.799 250.000 6.601 0 - 920000 184000.00 19.483 -63.434 -43.951 2.97 0.429 0.684 0.225 1.195 176.764 250.000 6.760 0 - 930000 186000.00 27.816 -55.045 -27.229 3.39 0.357 0.688 0.230 1.439 252.362 250.000 6.642 0 - 940000 188000.00 24.527 -66.881 -42.353 3.33 0.286 0.750 0.253 0.973 222.523 250.000 6.934 0 - 950000 190000.00 26.836 -59.823 -32.988 3.07 0.571 0.600 0.209 2.153 243.470 250.000 6.653 0 - 960000 192000.00 22.120 -70.385 -48.265 3.15 0.286 0.750 0.230 1.186 200.688 250.000 6.791 0 - 970000 194000.00 31.020 -61.305 -30.285 3.07 0.500 0.650 0.264 1.376 281.430 250.000 6.353 0 - 980000 196000.00 21.325 -57.325 -36.000 2.75 0.500 0.632 0.297 1.138 193.471 250.000 6.435 0 - 990000 198000.00 26.351 -58.938 -32.587 3.31 0.429 0.647 0.241 1.316 239.073 250.000 6.783 0 - 1000000 200000.00 33.718 -58.075 -24.357 3.30 0.286 0.733 0.203 1.478 305.904 250.000 6.566 0 + 0 0.00 26.352 22.641 48.993 12.87 0.000 NaN NaN 0.959 239.075 250.000 15.552 0 + 10000 2000.00 23.493 -64.018 -40.525 2.25 0.214 0.786 0.263 1.504 213.141 250.000 6.940 0 + 20000 4000.00 35.435 -62.078 -26.642 2.19 0.357 0.643 0.260 1.249 321.486 250.000 6.396 0 + 30000 6000.00 28.681 -51.139 -22.459 4.35 0.286 0.556 0.182 1.932 260.205 250.000 7.468 0 + 40000 8000.00 24.287 -63.390 -39.103 3.06 0.429 0.600 0.230 1.968 220.348 250.000 6.339 0 + 50000 10000.00 25.207 -58.464 -33.257 3.15 0.286 0.667 0.375 1.157 228.691 250.000 6.554 0 + 60000 12000.00 26.473 -63.961 -37.488 3.11 0.357 0.762 0.299 0.842 240.179 250.000 6.222 0 + 70000 14000.00 25.951 -60.289 -34.338 2.88 0.429 0.500 0.322 2.085 235.437 250.000 6.451 0 + 80000 16000.00 30.374 -56.150 -25.776 2.40 0.429 0.600 0.270 2.215 275.567 250.000 6.434 0 + 90000 18000.00 22.894 -65.754 -42.860 2.14 0.500 0.611 0.260 0.801 207.705 250.000 6.341 0 + 100000 20000.00 22.722 -61.911 -39.189 2.15 0.429 0.600 0.218 1.305 206.142 250.000 7.011 0 + 110000 22000.00 24.386 -59.223 -34.838 2.39 0.214 0.800 0.233 1.472 221.239 250.000 6.404 0 + 120000 24000.00 28.788 -53.552 -24.764 3.06 0.286 0.667 0.216 1.427 261.181 250.000 6.989 0 + 130000 26000.00 27.268 -61.155 -33.887 1.99 0.429 0.600 0.273 1.842 247.391 250.000 6.363 0 + 140000 28000.00 25.340 -61.810 -36.470 2.38 0.357 0.667 0.242 1.523 229.902 250.000 6.536 0 + 150000 30000.00 28.532 -47.129 -18.597 2.69 0.286 0.500 0.244 2.598 258.854 250.000 6.684 0 + 160000 32000.00 24.271 -58.009 -33.738 2.35 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178.045 250.000 6.887 0 + 380000 76000.00 18.465 -65.619 -47.154 2.43 0.286 0.667 0.261 1.535 167.528 250.000 6.451 0 + 390000 78000.00 23.165 -53.542 -30.377 5.53 0.286 0.667 0.197 1.418 210.168 250.000 7.153 0 + 400000 80000.00 24.001 -69.256 -45.255 2.24 0.643 0.591 0.331 0.952 217.751 250.000 6.458 0 + 410000 82000.00 26.665 -53.206 -26.541 1.81 0.500 0.533 0.258 1.622 241.916 250.000 6.826 0 + 420000 84000.00 26.560 -58.881 -32.321 2.91 0.571 0.529 0.289 2.321 240.965 250.000 6.395 0 + 430000 86000.00 22.767 -53.446 -30.679 2.38 0.500 0.462 0.220 1.605 206.555 250.000 6.863 0 + 440000 88000.00 27.439 -59.040 -31.601 2.08 0.571 0.556 0.303 0.780 248.937 250.000 6.411 0 + 450000 90000.00 25.521 -60.878 -35.356 2.92 0.429 0.600 0.227 0.764 231.541 250.000 6.886 0 + 460000 92000.00 29.794 -57.094 -27.300 2.57 0.286 0.667 0.205 1.830 270.305 250.000 6.712 0 + 470000 94000.00 23.522 -48.536 -25.013 2.90 0.214 0.750 0.170 2.068 213.406 250.000 7.542 0 + 480000 96000.00 20.864 -66.119 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diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB001.stat b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB001.stat index 77de3da..8aeaf58 100644 --- a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB001.stat +++ b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_GB001.stat @@ -1,101 +1,101 @@ - 0 0.00 26.348 24.992 51.340 12.87 0.000 NaN NaN 0.710 239.041 260.000 15.552 1 - 10000 2000.00 23.328 -51.421 -28.093 4.53 0.143 0.846 0.402 0.940 211.647 260.000 7.026 1 - 20000 4000.00 26.461 -43.793 -17.331 5.06 0.500 0.562 0.318 1.159 240.069 260.000 6.868 1 - 30000 6000.00 26.847 -50.268 -23.421 4.14 0.143 0.867 0.248 0.783 243.571 260.000 7.305 1 - 40000 8000.00 24.283 -51.104 -26.821 4.06 0.214 0.786 0.269 1.231 220.309 260.000 6.706 1 - 50000 10000.00 26.878 -44.496 -17.618 5.53 0.286 0.667 0.371 1.190 243.854 260.000 6.617 1 - 60000 12000.00 24.119 -38.595 -14.476 5.16 0.143 0.800 0.395 1.800 218.821 260.000 6.592 1 - 70000 14000.00 25.977 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0.692 0.315 1.803 228.656 250.000 6.665 1 - 290000 58000.00 27.316 -53.741 -26.425 4.60 0.214 0.727 0.298 1.032 247.823 250.000 6.822 1 - 300000 60000.00 23.999 -48.901 -24.902 5.51 0.214 0.800 0.315 3.498 217.731 250.000 6.516 1 - 310000 62000.00 26.905 -50.203 -23.298 5.64 0.214 0.727 0.277 1.538 244.098 260.000 6.482 1 - 320000 64000.00 22.752 -42.456 -19.704 6.11 0.286 0.692 0.294 1.761 206.415 260.000 6.925 1 - 330000 66000.00 21.567 -39.679 -18.111 3.78 0.286 0.636 0.244 1.348 195.671 260.000 7.222 1 - 340000 68000.00 25.836 -46.373 -20.537 4.08 0.214 0.667 0.263 1.543 234.396 260.000 7.698 1 - 350000 70000.00 24.638 -40.320 -15.682 6.03 0.286 0.692 0.255 1.263 223.531 260.000 6.538 1 - 360000 72000.00 26.859 -51.978 -25.119 6.06 0.357 0.667 0.327 0.802 243.680 260.000 6.800 1 - 370000 74000.00 35.969 -48.571 -12.601 6.07 0.286 0.750 0.307 0.971 326.332 260.000 6.905 1 - 380000 76000.00 26.613 -34.177 -7.564 5.67 0.214 0.667 0.308 2.008 241.449 260.000 6.742 1 - 390000 78000.00 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-17.786 13.309 4.93 0.143 0.600 0.409 2.479 282.110 330.000 7.301 7 - 960000 192000.00 28.859 -2.128 26.731 6.32 0.071 0.500 0.227 1.468 261.820 330.000 10.666 7 - 970000 194000.00 21.383 -9.309 12.075 5.24 0.143 0.500 0.386 1.154 194.001 330.000 9.082 7 - 980000 196000.00 28.414 -2.483 25.931 5.82 0.143 0.714 0.234 3.351 257.786 330.000 7.789 7 - 990000 198000.00 29.718 -1.560 28.157 10.53 0.143 0.500 0.170 1.704 269.615 330.000 13.282 7 - 1000000 200000.00 33.444 0.810 34.254 12.00 0.143 0.333 0.152 3.445 303.417 330.000 15.168 7 + 0 0.00 39.801 22.363 62.163 12.87 0.000 NaN NaN 0.955 361.091 320.000 15.552 7 + 10000 2000.00 32.302 -20.021 12.281 5.82 0.000 1.000 0.394 1.415 293.061 320.000 6.958 7 + 20000 4000.00 31.769 -27.352 4.417 4.97 0.143 0.714 0.377 1.675 288.225 320.000 8.581 7 + 30000 6000.00 25.632 -12.853 12.779 4.32 0.071 0.875 0.381 2.290 232.547 320.000 7.069 7 + 40000 8000.00 35.357 -26.203 9.154 4.96 0.143 0.800 0.327 1.266 320.773 320.000 7.852 7 + 50000 10000.00 28.678 -37.855 -9.177 3.79 0.357 0.643 0.334 1.760 260.180 320.000 6.652 7 + 60000 12000.00 27.201 -23.784 3.418 4.47 0.357 0.500 0.386 1.154 246.784 320.000 8.409 7 + 70000 14000.00 29.182 -28.711 0.471 4.82 0.071 0.833 0.220 0.784 264.754 320.000 7.723 7 + 80000 16000.00 33.605 -23.124 10.481 5.02 0.071 0.875 0.364 1.953 304.883 320.000 7.967 7 + 90000 18000.00 32.118 -27.807 4.311 6.36 0.143 0.750 0.284 2.011 291.390 320.000 7.376 7 + 100000 20000.00 29.506 -19.116 10.390 6.20 0.214 0.571 0.234 1.403 267.690 320.000 7.217 7 + 110000 22000.00 33.213 -27.158 6.055 5.06 0.286 0.500 0.267 0.996 301.325 320.000 7.294 7 + 120000 24000.00 28.896 -21.285 7.612 5.24 0.214 0.700 0.218 1.712 262.164 320.000 7.194 7 + 130000 26000.00 35.522 -26.637 8.885 4.89 0.143 0.818 0.426 1.759 322.275 320.000 8.289 7 + 140000 28000.00 37.055 -28.048 9.007 6.45 0.071 0.800 0.264 0.975 336.180 320.000 8.005 7 + 150000 30000.00 28.003 -15.905 12.098 5.54 0.071 0.800 0.200 0.962 254.059 320.000 8.304 7 + 160000 32000.00 27.313 -26.169 1.144 5.00 0.143 0.800 0.355 1.352 247.800 320.000 8.378 7 + 170000 34000.00 22.501 -19.697 2.803 6.70 0.071 0.900 0.364 2.769 204.139 320.000 7.003 7 + 180000 36000.00 38.152 -32.376 5.777 6.77 0.000 1.000 0.429 1.800 346.136 320.000 8.083 7 + 190000 38000.00 31.693 -26.568 5.125 8.14 0.286 0.333 0.174 1.410 287.536 320.000 9.439 7 + 200000 40000.00 34.075 -15.563 18.512 3.70 0.286 0.333 0.333 1.570 309.146 320.000 8.095 7 + 210000 42000.00 29.921 -20.175 9.746 5.20 0.214 0.625 0.233 3.164 271.462 320.000 8.344 7 + 220000 44000.00 28.692 -11.456 17.237 5.33 0.000 NaN NaN 1.751 260.311 320.000 9.220 7 + 230000 46000.00 28.130 -21.780 6.351 6.34 0.071 0.833 0.311 1.447 255.212 320.000 8.558 7 + 240000 48000.00 31.812 -36.443 -4.630 5.16 0.071 0.889 0.444 1.663 288.619 320.000 6.925 7 + 250000 50000.00 45.049 -35.774 9.276 6.12 0.214 0.800 0.285 1.537 408.711 320.000 6.944 7 + 260000 52000.00 38.339 -31.272 7.067 6.19 0.286 0.750 0.335 1.598 347.829 320.000 6.815 7 + 270000 54000.00 35.784 -17.282 18.502 4.38 0.071 0.833 0.273 2.178 324.654 320.000 8.102 7 + 280000 56000.00 28.101 -24.108 3.993 5.07 0.214 0.625 0.267 1.720 254.947 320.000 7.876 7 + 290000 58000.00 41.437 -39.274 2.163 6.08 0.143 0.818 0.236 2.336 375.938 320.000 7.836 7 + 300000 60000.00 33.295 -26.640 6.655 4.26 0.143 0.600 0.300 1.879 302.065 320.000 7.928 7 + 310000 62000.00 30.376 -30.008 0.369 6.85 0.357 0.545 0.223 2.437 275.589 310.000 7.321 7 + 320000 64000.00 31.127 -25.556 5.571 5.40 0.071 0.800 0.191 0.370 282.397 310.000 7.525 7 + 330000 66000.00 33.954 -26.915 7.040 7.04 0.071 0.857 0.201 1.260 308.051 310.000 8.783 7 + 340000 68000.00 33.290 -33.678 -0.388 4.54 0.286 0.500 0.250 1.151 302.021 310.000 7.229 7 + 350000 70000.00 26.261 -32.019 -5.758 4.68 0.286 0.429 0.188 1.075 238.257 310.000 9.147 7 + 360000 72000.00 35.165 -43.012 -7.846 4.32 0.286 0.750 0.278 1.500 319.037 310.000 6.693 7 + 370000 74000.00 36.296 -22.628 13.668 5.93 0.214 0.571 0.208 1.613 329.299 310.000 7.659 7 + 380000 76000.00 46.281 -36.457 9.823 4.08 0.143 0.833 0.295 2.509 419.884 310.000 7.484 7 + 390000 78000.00 22.380 -40.297 -17.917 5.46 0.071 0.833 0.250 1.889 203.045 310.000 7.561 7 + 400000 80000.00 27.628 -32.505 -4.877 6.29 0.357 0.583 0.314 1.725 250.654 310.000 6.744 7 + 410000 82000.00 28.517 -28.828 -0.311 5.32 0.214 0.667 0.253 1.324 258.720 300.000 7.339 7 + 420000 84000.00 29.004 -40.976 -11.972 5.68 0.214 0.727 0.306 1.632 263.141 300.000 6.904 7 + 430000 86000.00 26.372 -33.612 -7.240 7.31 0.214 0.625 0.193 1.388 239.258 300.000 8.948 7 + 440000 88000.00 27.130 -32.536 -5.406 6.48 0.143 0.750 0.227 0.985 246.138 300.000 7.902 7 + 450000 90000.00 27.709 -24.645 3.064 5.46 0.286 0.600 0.177 1.927 251.393 300.000 8.397 7 + 460000 92000.00 29.147 -36.538 -7.392 4.78 0.429 0.455 0.298 1.417 264.436 300.000 6.844 7 + 470000 94000.00 27.349 -41.269 -13.920 2.50 0.500 0.533 0.355 2.288 248.121 300.000 6.270 7 + 480000 96000.00 28.145 -38.064 -9.919 3.14 0.286 0.636 0.364 0.917 255.345 300.000 6.543 7 + 490000 98000.00 28.215 -39.497 -11.283 6.84 0.357 0.615 0.199 1.496 255.979 300.000 7.623 7 + 500000 100000.00 33.041 -19.682 13.359 4.72 0.214 0.500 0.227 2.669 299.767 300.000 7.268 7 + 510000 102000.00 39.548 -8.343 31.206 5.40 0.071 0.889 0.414 1.132 358.804 320.000 7.928 7 + 520000 104000.00 35.564 -27.076 8.488 5.69 0.214 0.625 0.506 2.186 322.654 320.000 7.704 7 + 530000 106000.00 30.592 -11.946 18.646 5.64 0.071 0.800 0.400 5.986 277.548 320.000 7.905 7 + 540000 108000.00 28.973 -29.891 -0.918 6.42 0.071 0.889 0.364 1.957 262.856 320.000 6.864 7 + 550000 110000.00 27.268 -24.579 2.690 4.83 0.071 0.800 0.409 1.520 247.393 320.000 7.434 7 + 560000 112000.00 26.387 -27.976 -1.589 6.09 0.286 0.667 0.352 2.376 239.394 320.000 7.190 7 + 570000 114000.00 31.217 -27.001 4.217 5.46 0.143 0.750 0.375 2.182 283.221 320.000 8.140 7 + 580000 116000.00 32.706 -16.943 15.762 4.96 0.071 0.800 0.436 2.149 296.721 320.000 8.255 7 + 590000 118000.00 34.913 -8.925 25.988 5.37 0.143 0.750 0.273 2.873 316.748 320.000 6.733 7 + 600000 120000.00 45.977 -16.163 29.815 10.25 0.000 1.000 0.205 0.933 417.130 320.000 13.297 7 + 610000 122000.00 34.420 -28.560 5.860 4.90 0.071 0.857 0.279 2.360 312.276 320.000 6.795 7 + 620000 124000.00 26.450 -19.779 6.671 4.51 0.143 0.714 0.344 1.685 239.968 320.000 8.092 7 + 630000 126000.00 26.847 -20.878 5.969 4.61 0.214 0.700 0.445 1.480 243.568 320.000 7.455 7 + 640000 128000.00 27.339 -17.236 10.102 5.76 0.071 0.833 0.159 1.636 248.030 320.000 9.047 7 + 650000 130000.00 44.474 -21.462 23.011 6.30 0.214 0.700 0.173 2.405 403.489 320.000 8.640 7 + 660000 132000.00 34.907 -15.454 19.454 5.02 0.071 0.667 0.182 2.471 316.697 320.000 7.378 7 + 670000 134000.00 34.925 -14.445 20.480 5.49 0.143 0.600 0.327 1.432 316.857 320.000 8.675 7 + 680000 136000.00 36.415 -23.127 13.288 6.29 0.286 0.556 0.283 0.734 330.380 320.000 6.942 7 + 690000 138000.00 33.022 -29.846 3.176 4.41 0.286 0.000 0.239 4.116 299.597 320.000 8.860 7 + 700000 140000.00 30.664 -42.421 -11.757 3.30 0.500 0.588 0.356 1.439 278.197 320.000 6.943 7 + 710000 142000.00 34.367 -27.843 6.524 3.29 0.286 0.429 0.247 1.572 311.792 310.000 7.572 7 + 720000 144000.00 27.020 -23.998 3.022 5.47 0.214 0.250 0.170 1.333 245.139 310.000 8.867 7 + 730000 146000.00 30.766 -25.240 5.526 3.96 0.214 0.700 0.186 1.516 279.128 310.000 8.271 7 + 740000 148000.00 32.472 -20.821 11.650 10.40 0.357 0.444 0.172 2.227 294.599 310.000 12.841 7 + 750000 150000.00 26.681 -15.639 11.042 7.29 0.214 0.400 0.164 1.488 242.061 310.000 9.324 7 + 760000 152000.00 32.355 -28.147 4.209 4.27 0.214 0.500 0.189 1.743 293.543 310.000 7.805 7 + 770000 154000.00 26.892 -33.624 -6.732 4.16 0.286 0.600 0.373 2.494 243.976 310.000 7.045 7 + 780000 156000.00 26.431 -16.739 9.692 7.04 0.214 0.500 0.182 2.795 239.797 310.000 8.472 7 + 790000 158000.00 25.089 -25.831 -0.742 7.10 0.000 1.000 0.216 1.829 227.618 310.000 8.441 7 + 800000 160000.00 42.318 -29.620 12.698 2.55 0.357 0.444 0.172 0.267 383.935 310.000 7.418 7 + 810000 162000.00 27.771 -40.039 -12.268 5.28 0.357 0.444 0.192 1.846 251.952 300.000 7.836 7 + 820000 164000.00 33.339 -18.674 14.665 4.80 0.071 0.875 0.267 2.080 302.472 300.000 8.533 7 + 830000 166000.00 27.980 -52.588 -24.608 2.29 0.500 0.533 0.321 1.622 253.850 300.000 6.792 7 + 840000 168000.00 36.562 -26.023 10.539 2.77 0.357 0.583 0.337 3.211 331.706 300.000 6.915 7 + 850000 170000.00 33.039 -33.352 -0.313 3.69 0.143 0.818 0.512 1.593 299.750 300.000 6.414 7 + 860000 172000.00 30.865 -43.569 -12.704 4.01 0.429 0.500 0.447 1.411 280.025 300.000 7.217 7 + 870000 174000.00 34.922 -29.342 5.580 8.03 0.357 0.286 0.162 3.226 316.830 300.000 10.610 7 + 880000 176000.00 34.264 -24.728 9.536 5.90 0.286 0.600 0.282 0.952 310.859 300.000 6.959 7 + 890000 178000.00 27.136 -35.355 -8.219 3.49 0.286 0.600 0.205 2.275 246.188 300.000 7.076 7 + 900000 180000.00 30.983 -23.105 7.878 4.66 0.214 0.700 0.268 1.605 281.097 300.000 7.568 7 + 910000 182000.00 35.423 -23.364 12.059 5.25 0.071 0.833 0.318 2.771 321.373 320.000 8.314 7 + 920000 184000.00 28.411 -35.696 -7.285 5.26 0.286 0.556 0.288 1.154 257.758 320.000 7.045 7 + 930000 186000.00 26.726 -23.924 2.802 5.11 0.143 0.600 0.164 2.180 242.471 320.000 8.039 7 + 940000 188000.00 26.071 -23.274 2.797 5.71 0.357 0.545 0.223 2.125 236.528 320.000 7.052 7 + 950000 190000.00 33.679 -28.420 5.259 4.12 0.071 0.875 0.244 1.000 305.549 320.000 8.552 7 + 960000 192000.00 29.438 -15.150 14.288 5.94 0.214 0.625 0.216 1.882 267.073 320.000 8.347 7 + 970000 194000.00 22.225 -27.944 -5.719 6.00 0.286 0.556 0.394 1.408 201.639 320.000 7.665 7 + 980000 196000.00 31.174 -11.423 19.751 5.00 0.071 0.857 0.494 1.627 282.829 320.000 7.172 7 + 990000 198000.00 30.108 -24.602 5.506 4.73 0.143 0.778 0.313 1.312 273.154 320.000 7.904 7 + 1000000 200000.00 29.620 -18.342 11.278 5.53 0.214 0.625 0.284 2.291 268.724 320.000 6.887 7 diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_MD000.cx b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_MD000.cx index 2d4acc6..8f711a1 100644 Binary files a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_MD000.cx and b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_MD000.cx differ diff --git a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_mremd.rst b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_mremd.rst index 6f5c318..e6b9e9e 100644 Binary files a/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_mremd.rst and b/examples/unres/REMD/Berendsen/ff_gab/outputs/1L2Y_REMD_mremd.rst differ diff --git a/examples/unres/REMD/Berendsen/ff_gab/start.mat b/examples/unres/REMD/Berendsen/ff_gab/start.mat index 838fbc8..07242bc 100755 --- a/examples/unres/REMD/Berendsen/ff_gab/start.mat +++ b/examples/unres/REMD/Berendsen/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N Ber-gab +#PBS -N Ber-gab-REMD #PBS -q dque -#PBS -l nodes=2:ppn=8 -# #PBS -l mem=2gb +#PBS -l nodes=1:ppn=8 #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/REMD/Berendsen/ff_gab/unres.csh b/examples/unres/REMD/Berendsen/ff_gab/unres.csh index bf4dafe..78c7f20 100755 --- a/examples/unres/REMD/Berendsen/ff_gab/unres.csh +++ b/examples/unres/REMD/Berendsen/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_REMD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 index b9420a0..4b77e51 100644 --- a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 +++ b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_REMD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -197,7 +186,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -329,12 +319,10 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 16 time before 2.343750000000000E-002 + MREMD 8 time before 4.687500000000000E-002 NREP= 16 - i2rep 1 2 3 4 5 6 7 8 9 10 - 11 12 13 14 15 16 - i2set 1 1 1 1 1 1 1 1 1 1 - 1 1 1 1 1 1 + i2rep 1 2 3 4 5 6 7 8 + i2set 1 1 1 1 1 1 1 1 i,j,il,il1,i_index(i,j,il,il1) ifirst 1 nupa 1: 2 @@ -353,22 +341,6 @@ ndowna 6: 5 ndowna 7: 6 nupa 8: 9 ndowna 8: 7 - nupa 9: 10 -ndowna 9: 8 - nupa 10: 11 -ndowna 10: 9 - nupa 11: 12 -ndowna 11: 10 - nupa 12: 13 -ndowna 12: 11 - nupa 13: 14 -ndowna 13: 12 - nupa 14: 15 -ndowna 14: 13 - nupa 15: 16 -ndowna 15: 14 - nupa 16: -ndowna 16: 15 REMD Temperature: 250.00000 ====================MD calculation start==================== Initial velocities randomly generated @@ -398,7 +370,7 @@ ndowna 16: 15 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 + 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017 alpha-carbon coordinates centroid coordinates @@ -438,5531 +410,2873 @@ TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 -GLY 11 3.800 90.000 180.000 0.000 180.000 180.000 -GLY 12 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 11 3.800 90.000 180.000 0.000 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 -GLY 16 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 16 3.800 90.000 180.000 0.000 0.000 180.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 -D 22 3.800 90.000 180.000 0.000 180.000 180.000 +D 22 3.800 90.000 180.000 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p) -EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending) -ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional) -ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local) -ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order) -ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 2.499553E+01 (total) +ETOT= 2.264125E+01 (total) Initial: Kinetic energy 2.63515E+01 - potential energy 2.49955E+01 - total energy 5.13470E+01 + potential energy 2.26412E+01 + total energy 4.89928E+01 - maximum acceleration 7.10627E-01 + maximum acceleration 9.59318E-01 - Setup time 2.734375000000000E-002 - acceleration/energy drift too large 8.26334384637421 - 26.7750041557367 split increased to 2 itime 719 + Setup time 6.250000000000000E-002 + acceleration/energy drift too large 5.63918106737272 + 35.3571855162741 split increased to 2 itime 1028 itsplit 1 - acceleration/energy drift too large 4.61869349236768 - 11.5940884147131 split increased to 2 itime 724 + acceleration/energy drift too large 10.8729823992228 + 52.3145846329672 split increased to 2 itime 1056 itsplit 1 - acceleration/energy drift too large 2.88576319612688 - 10.0025926580557 split increased to 2 itime 792 + acceleration/energy drift too large 3.28536102197664 + 11.7411501261499 split increased to 2 itime 1284 itsplit 1 - acceleration/energy drift too large 5.10759683559973 - 25.3079609183639 split increased to 2 itime 3382 + acceleration/energy drift too large 5.14796605170366 + 25.5944222483776 split increased to 2 itime 1464 itsplit 1 - acceleration/energy drift too large 2.90692413684614 - 21.9440903067037 split increased to 2 itime 3974 + acceleration/energy drift too large 4.30555535081426 + 12.0515261611403 split increased to 2 itime 1613 itsplit 1 - acceleration/energy drift too large 8.14549314472849 - 30.3388519180544 split increased to 2 itime 4484 + acceleration/energy drift too large 5.94717809136189 + 10.3896136034960 split increased to 2 itime 1652 itsplit 1 - acceleration/energy drift too large 5.07631645279015 - 30.2063670557820 split increased to 2 itime 4604 + acceleration/energy drift too large 10.2204359471954 + 24.1891695096049 split increased to 2 itime 1662 itsplit 1 - acceleration/energy drift too large 11.5987028347798 - 48.6460600947056 split increased to 2 itime 4697 + acceleration/energy drift too large 2.44352174824906 + 15.1453549172462 split increased to 2 itime 1880 itsplit 1 - acceleration/energy drift too large 2.65685222113156 - 10.2983630336477 split increased to 4 itime 4697 - itsplit 2 - acceleration/energy drift too large 10.7029694651655 - 44.5942350915888 split increased to 2 itime 5106 + acceleration/energy drift too large 4.70471505415219 + 14.3697900658259 split increased to 2 itime 2169 + itsplit 1 + acceleration/energy drift too large 2.36696298044121 + 11.5481023464904 split increased to 2 itime 2988 + itsplit 1 + acceleration/energy drift too large 3.11001725079099 + 11.6433912909899 split increased to 2 itime 2989 + itsplit 1 + acceleration/energy drift too large 3.63283289763953 + 13.5411725430095 split increased to 2 itime 3193 itsplit 1 - acceleration/energy drift too large 6.38932592483277 - 22.0569805922871 split increased to 2 itime 5128 + acceleration/energy drift too large 4.47921557608526 + 11.9938670711319 split increased to 2 itime 3425 itsplit 1 - acceleration/energy drift too large 6.30278336386210 - 16.0033535111208 split increased to 2 itime 5410 + acceleration/energy drift too large 8.91525490425866 + 42.6973845999645 split increased to 2 itime 3662 itsplit 1 - acceleration/energy drift too large 6.61753175822789 - 13.7712700686941 split increased to 2 itime 6768 + acceleration/energy drift too large 7.05435429203365 + 19.2288496136548 split increased to 2 itime 3663 itsplit 1 - acceleration/energy drift too large 3.37029049581790 - 12.4641624365663 split increased to 2 itime 6965 + acceleration/energy drift too large 4.68246766404941 + 25.4676990523523 split increased to 2 itime 3937 itsplit 1 - acceleration/energy drift too large 7.04725995500587 - 23.6005304144775 split increased to 2 itime 7115 + acceleration/energy drift too large 4.49544109901394 + 28.2205277759573 split increased to 2 itime 4350 itsplit 1 - acceleration/energy drift too large 2.31738192585043 - 10.0124025188188 split increased to 2 itime 7208 + acceleration/energy drift too large 3.84092228572669 + 19.3324496146227 split increased to 2 itime 4951 itsplit 1 - acceleration/energy drift too large 5.48971569151628 - 37.5818416518357 split increased to 2 itime 8589 + acceleration/energy drift too large 4.64153203464570 + 10.1801404441808 split increased to 2 itime 6769 itsplit 1 - acceleration/energy drift too large 4.02343135233133 - 14.0475755909893 split increased to 2 itime 8811 + acceleration/energy drift too large 5.07796478963469 + 13.2741701023061 split increased to 2 itime 6931 itsplit 1 - acceleration/energy drift too large 4.84526479075250 - 32.3550694177225 split increased to 2 itime 8869 + acceleration/energy drift too large 4.18814303625074 + 27.1119625402691 split increased to 2 itime 7842 itsplit 1 - acceleration/energy drift too large 7.20091197705991 - 18.7496668928797 split increased to 2 itime 9735 + acceleration/energy drift too large 3.39169805531536 + 10.3324838871765 split increased to 2 itime 8797 itsplit 1 - acceleration/energy drift too large 2.19319531147200 - 16.1563778365408 split increased to 2 itime 10635 + acceleration/energy drift too large 3.50043607321272 + 25.7966304934517 split increased to 2 itime 9616 itsplit 1 - acceleration/energy drift too large 3.19824717418546 - 10.0028967513894 split increased to 2 itime 10998 + acceleration/energy drift too large 2.62285471235274 + 11.8319450262330 split increased to 2 itime 10764 itsplit 1 - acceleration/energy drift too large 3.34825712937002 - 11.1594771354202 split increased to 2 itime 11002 + acceleration/energy drift too large 2.16115195113438 + 11.0979197640116 split increased to 2 itime 11010 itsplit 1 - acceleration/energy drift too large 4.10413204548455 - 10.1591751402532 split increased to 2 itime 11014 + acceleration/energy drift too large 3.07932134835063 + 22.8366668952950 split increased to 2 itime 11241 itsplit 1 - acceleration/energy drift too large 7.27893808484307 - 19.3206237242882 split increased to 2 itime 11221 + acceleration/energy drift too large 6.89071594777647 + 16.6274454383628 split increased to 2 itime 13539 itsplit 1 - acceleration/energy drift too large 3.84370905023851 - 13.2448377005877 split increased to 2 itime 11372 + acceleration/energy drift too large 8.04340932794725 + 21.3639306285702 split increased to 2 itime 14319 itsplit 1 - acceleration/energy drift too large 7.87266245617727 - 15.8254254651018 split increased to 2 itime 11779 + acceleration/energy drift too large 13.4467048311970 + 70.5032897793779 split increased to 2 itime 14346 itsplit 1 - acceleration/energy drift too large 3.07075432401339 - 16.5692649375406 split increased to 2 itime 12430 + acceleration/energy drift too large 3.85144891410892 + 22.4563961669407 split increased to 2 itime 14390 itsplit 1 - acceleration/energy drift too large 3.36049632733531 - 19.3047104938715 split increased to 2 itime 12757 + acceleration/energy drift too large 5.49359064817051 + 18.3214897780854 split increased to 2 itime 14701 itsplit 1 - acceleration/energy drift too large 5.60381185909200 - 18.6477351478962 split increased to 2 itime 12946 + acceleration/energy drift too large 2.63347046167346 + 10.8011272807313 split increased to 2 itime 16123 itsplit 1 - acceleration/energy drift too large 1.54984928195195 - 10.2125344770836 split increased to 2 itime 13078 + acceleration/energy drift too large 2.37252164101140 + 10.0208029603040 split increased to 2 itime 16148 itsplit 1 - acceleration/energy drift too large 2.29472482371803 - 11.7631152409337 split increased to 2 itime 14399 + acceleration/energy drift too large 6.81894093676270 + 25.1133974477313 split increased to 2 itime 16666 itsplit 1 - acceleration/energy drift too large 4.64899892559597 - 26.0288302088623 split increased to 2 itime 16030 + acceleration/energy drift too large 5.02639672515953 + 38.5450806123208 split increased to 2 itime 16957 itsplit 1 - acceleration/energy drift too large 2.86579135507228 - 10.0249595392576 split increased to 2 itime 16741 + acceleration/energy drift too large 3.29230213990233 + 12.8682786761299 split increased to 2 itime 18553 itsplit 1 - acceleration/energy drift too large 4.79733365314638 - 20.9304044141132 split increased to 2 itime 16779 + acceleration/energy drift too large 5.58321685105274 + 13.0721496773453 split increased to 2 itime 19557 itsplit 1 - acceleration/energy drift too large 5.11072548409924 - 33.4643407870369 split increased to 2 itime 16945 + acceleration/energy drift too large 11.4141101491608 + 57.3686331453835 split increased to 2 itime 19636 itsplit 1 - acceleration/energy drift too large 7.39790118073690 - 19.3339247708666 split increased to 2 itime 17829 + acceleration/energy drift too large 2.72191053725797 + 13.3423503274378 split increased to 4 itime 19636 + itsplit 2 + acceleration/energy drift too large 3.43807708156927 + 12.8108481669393 split increased to 2 itime 20554 itsplit 1 - acceleration/energy drift too large 5.74124464804356 - 21.6613363796507 split increased to 2 itime 19069 + acceleration/energy drift too large 4.01017110729673 + 11.6262771507421 split increased to 2 itime 21590 itsplit 1 - acceleration/energy drift too large 2.68617334940497 - 14.5761142155794 split increased to 2 itime 19507 + acceleration/energy drift too large 3.15493106749717 + 19.3017873000702 split increased to 2 itime 21638 itsplit 1 - acceleration/energy drift too large 3.26772102126463 - 10.2871167284916 split increased to 2 itime 19870 + acceleration/energy drift too large 4.99772490386704 + 13.0993452444689 split increased to 2 itime 22369 itsplit 1 - acceleration/energy drift too large 3.16331380819689 - 11.5063938877650 split increased to 2 itime 19942 + acceleration/energy drift too large 3.75783880578601 + 10.2013700416861 split increased to 2 itime 22562 itsplit 1 - acceleration/energy drift too large 5.20323962762652 - 17.1695181357142 split increased to 2 itime 20270 + acceleration/energy drift too large 4.80981678325877 + 11.9977359761756 split increased to 2 itime 24031 itsplit 1 - acceleration/energy drift too large 15.2873752399313 - 84.5846816992344 split increased to 2 itime 20276 + acceleration/energy drift too large 2.47732674467058 + 10.8948782515287 split increased to 2 itime 24847 itsplit 1 - acceleration/energy drift too large 7.16001686299731 - 22.3955892836373 split increased to 2 itime 20336 + acceleration/energy drift too large 13.4640950242825 + 125.047283850475 split increased to 2 itime 25440 itsplit 1 - acceleration/energy drift too large 5.86989661254096 - 19.0474532269753 split increased to 2 itime 20634 + acceleration/energy drift too large 3.58314504573760 + 14.4500196135448 split increased to 4 itime 25440 itsplit 1 - acceleration/energy drift too large 4.34435398222800 - 16.3468269714644 split increased to 2 itime 20764 + acceleration/energy drift too large 5.04824018885210 + 15.8361545775069 split increased to 2 itime 26725 itsplit 1 - acceleration/energy drift too large 4.96825645964055 - 14.9694726571255 split increased to 2 itime 21808 + acceleration/energy drift too large 4.36035907773934 + 10.6716890009158 split increased to 2 itime 26866 itsplit 1 - acceleration/energy drift too large 7.77975700537938 - 33.9618870135372 split increased to 2 itime 23360 + acceleration/energy drift too large 12.6663032769869 + 56.9234494407235 split increased to 2 itime 27001 itsplit 1 - acceleration/energy drift too large 3.74670074824093 - 10.0537930648378 split increased to 2 itime 23979 + acceleration/energy drift too large 2.64325020681395 + 12.3491706106436 split increased to 4 itime 27001 itsplit 1 - acceleration/energy drift too large 3.01681624062663 - 10.6180469919115 split increased to 2 itime 24290 + acceleration/energy drift too large 6.41512050094965 + 15.1041870349427 split increased to 2 itime 27035 itsplit 1 - acceleration/energy drift too large 4.20163218807467 - 10.4333728953428 split increased to 2 itime 24661 + acceleration/energy drift too large 3.74516194471741 + 11.5017789098039 split increased to 2 itime 27125 itsplit 1 - acceleration/energy drift too large 3.14106142774949 - 10.0363276570512 split increased to 2 itime 25251 + acceleration/energy drift too large 6.29261702853444 + 16.7293063203290 split increased to 2 itime 27647 itsplit 1 - acceleration/energy drift too large 3.07096828675019 - 10.2044751439592 split increased to 2 itime 25434 + acceleration/energy drift too large 7.47098605918827 + 23.8508160077668 split increased to 2 itime 28803 itsplit 1 - acceleration/energy drift too large 21.9910863425765 - 153.524454726087 split increased to 2 itime 25810 + acceleration/energy drift too large 6.30271162717393 + 12.7628672754401 split increased to 2 itime 29991 itsplit 1 - acceleration/energy drift too large 3.48219338729091 - 12.6544384392749 split increased to 2 itime 26722 + acceleration/energy drift too large 5.54986684291316 + 19.4528888820941 split increased to 2 itime 30047 itsplit 1 - acceleration/energy drift too large 2.91437522960170 - 11.6071049142778 split increased to 2 itime 26756 + acceleration/energy drift too large 6.34572216646319 + 12.4653243392076 split increased to 2 itime 30049 itsplit 1 - acceleration/energy drift too large 5.25853260740836 - 12.3572773566583 split increased to 2 itime 27842 + acceleration/energy drift too large 5.55482687422360 + 13.6199842088656 split increased to 2 itime 30057 itsplit 1 - acceleration/energy drift too large 5.60991619895774 - 12.5738626275850 split increased to 2 itime 27847 + acceleration/energy drift too large 6.95060901150181 + 13.6408588613389 split increased to 2 itime 30059 itsplit 1 - acceleration/energy drift too large 3.86997890833284 - 11.8757564018147 split increased to 2 itime 29211 + acceleration/energy drift too large 5.73954928734024 + 12.1213607224673 split increased to 2 itime 30071 itsplit 1 - acceleration/energy drift too large 3.97115744865603 - 11.3453629412571 split increased to 2 itime 30021 + acceleration/energy drift too large 2.84073418788950 + 10.1139425826687 split increased to 2 itime 30820 itsplit 1 - acceleration/energy drift too large 5.36692949498821 - 13.3046224291952 split increased to 2 itime 30032 + acceleration/energy drift too large 5.86409442748216 + 22.6716503125443 split increased to 2 itime 31189 itsplit 1 - acceleration/energy drift too large 3.38812310875308 - 11.9502290673888 split increased to 2 itime 30110 + acceleration/energy drift too large 10.9541895939377 + 51.8985245073042 split increased to 2 itime 31530 itsplit 1 - acceleration/energy drift too large 6.24236999428264 - 12.5572165235265 split increased to 2 itime 30738 + acceleration/energy drift too large 2.59770862061949 + 11.8706998198693 split increased to 4 itime 31530 + itsplit 2 + acceleration/energy drift too large 4.22864557277935 + 21.7239295763887 split increased to 2 itime 32547 itsplit 1 - acceleration/energy drift too large 4.57919270241505 - 26.0086243068041 split increased to 2 itime 31165 + acceleration/energy drift too large 13.8438279263302 + 106.191166832147 split increased to 2 itime 32909 itsplit 1 - acceleration/energy drift too large 4.81066264104271 - 22.5142770441446 split increased to 2 itime 32662 + acceleration/energy drift too large 6.54942310822148 + 23.0654746132271 split increased to 2 itime 33631 itsplit 1 - acceleration/energy drift too large 2.88193637074247 - 10.6033805573380 split increased to 2 itime 32675 + acceleration/energy drift too large 12.1939973661612 + 87.6826735717594 split increased to 2 itime 33635 itsplit 1 - acceleration/energy drift too large 5.33208938530336 - 10.3235535987134 split increased to 2 itime 32745 + acceleration/energy drift too large 7.27570857673955 + 23.2112289421643 split increased to 2 itime 33962 itsplit 1 - acceleration/energy drift too large 6.96691037205768 - 17.6294318750729 split increased to 2 itime 32938 + acceleration/energy drift too large 3.85553746116164 + 15.4451093356813 split increased to 2 itime 34184 itsplit 1 - acceleration/energy drift too large 4.99228862615127 - 26.5198613525872 split increased to 2 itime 32978 + acceleration/energy drift too large 4.14576824322283 + 13.4350031698828 split increased to 2 itime 34201 itsplit 1 - acceleration/energy drift too large 5.35080896964098 - 16.3519564462600 split increased to 2 itime 33077 + acceleration/energy drift too large 6.93816987403713 + 15.0855934532604 split increased to 2 itime 34363 itsplit 1 - acceleration/energy drift too large 2.59964162501218 - 10.6111567483417 split increased to 2 itime 33155 + acceleration/energy drift too large 4.47954255680826 + 17.4722735906525 split increased to 2 itime 34530 itsplit 1 - acceleration/energy drift too large 2.46891631802749 - 11.4929951312212 split increased to 2 itime 35973 + acceleration/energy drift too large 1.44179325647977 + 12.9249136682216 split increased to 4 itime 34530 itsplit 1 - acceleration/energy drift too large 5.62893266528692 - 20.0750661230255 split increased to 2 itime 37012 + acceleration/energy drift too large 2.62285837341333 + 15.0000428149156 split increased to 2 itime 34606 itsplit 1 - acceleration/energy drift too large 3.00970907097162 - 10.4160856752064 split increased to 2 itime 37811 + acceleration/energy drift too large 5.61369312635986 + 17.7320034406705 split increased to 2 itime 34671 itsplit 1 - acceleration/energy drift too large 5.96013816785022 - 31.3499257999342 split increased to 2 itime 38244 + acceleration/energy drift too large 3.76717711157113 + 13.3052357716413 split increased to 2 itime 35409 itsplit 1 - acceleration/energy drift too large 17.0266582803678 - 101.545962094238 split increased to 2 itime 38252 + acceleration/energy drift too large 4.48808286292798 + 12.2726670400669 split increased to 2 itime 35686 itsplit 1 - acceleration/energy drift too large 2.59418767821969 - 15.3654846348293 split increased to 2 itime 38253 + acceleration/energy drift too large 5.93308215003441 + 15.6469473964777 split increased to 2 itime 35841 itsplit 1 - acceleration/energy drift too large 4.96708828965584 - 11.4230586432237 split increased to 2 itime 38667 + acceleration/energy drift too large 5.33636814429521 + 12.9138167925720 split increased to 2 itime 37165 itsplit 1 - acceleration/energy drift too large 6.46887182036707 - 33.7652642425329 split increased to 2 itime 39967 + acceleration/energy drift too large 2.72290810352853 + 10.7189912450791 split increased to 2 itime 37876 itsplit 1 - acceleration/energy drift too large 4.22646390186154 - 12.1679566048607 split increased to 2 itime 40366 + acceleration/energy drift too large 7.14868437520244 + 29.3379921896970 split increased to 2 itime 38499 itsplit 1 - acceleration/energy drift too large 2.80326700677473 - 13.4270647185819 split increased to 2 itime 40660 + acceleration/energy drift too large 4.59020477605162 + 23.8834530863281 split increased to 2 itime 39032 itsplit 1 - acceleration/energy drift too large 4.89400137251626 - 29.3575529980383 split increased to 2 itime 40882 + acceleration/energy drift too large 5.99735856564086 + 16.7413538069089 split increased to 2 itime 39105 itsplit 1 - acceleration/energy drift too large 2.93851292201581 - 10.0937796199883 split increased to 2 itime 40926 + acceleration/energy drift too large 5.34150761973903 + 13.6252361360669 split increased to 2 itime 39266 itsplit 1 - acceleration/energy drift too large 7.45627456584421 - 18.1339817054322 split increased to 2 itime 44347 + acceleration/energy drift too large 6.17660191694107 + 15.6196409080652 split increased to 2 itime 39670 itsplit 1 - acceleration/energy drift too large 6.33910321811285 - 23.6356049851875 split increased to 2 itime 47792 + acceleration/energy drift too large 9.06174203657497 + 29.5191425043196 split increased to 2 itime 39952 itsplit 1 - acceleration/energy drift too large 10.2699380292030 - 64.7419306596570 split increased to 2 itime 47912 + acceleration/energy drift too large 2.41321173108030 + 12.2013160755494 split increased to 2 itime 40171 itsplit 1 - acceleration/energy drift too large 4.90847622509243 - 19.2777904160953 split increased to 2 itime 49411 + acceleration/energy drift too large 5.39337308151622 + 19.4706537380226 split increased to 2 itime 40295 itsplit 1 - acceleration/energy drift too large 4.67945629667793 - 10.8751176344442 split increased to 2 itime 50301 + acceleration/energy drift too large 4.56774578611308 + 15.4860881951383 split increased to 2 itime 40618 itsplit 1 - acceleration/energy drift too large 3.71793502447027 - 10.1359910658172 split increased to 2 itime 50306 + acceleration/energy drift too large 2.95868181634345 + 11.1487862718852 split increased to 2 itime 42247 itsplit 1 - acceleration/energy drift too large 6.96094772655256 - 35.3922676839770 split increased to 2 itime 50620 + acceleration/energy drift too large 4.69495367211433 + 12.9812938213575 split increased to 2 itime 42314 itsplit 1 - acceleration/energy drift too large 3.67545086992960 - 20.8783966205385 split increased to 2 itime 50621 + acceleration/energy drift too large 11.0980476650334 + 45.8866926444603 split increased to 2 itime 42924 itsplit 1 - acceleration/energy drift too large 2.98308446635235 - 10.0246272771143 split increased to 2 itime 51678 + acceleration/energy drift too large 6.85293779517124 + 30.2115658818096 split increased to 2 itime 42959 itsplit 1 - acceleration/energy drift too large 2.73752309018835 - 10.2177838973972 split increased to 2 itime 52044 + acceleration/energy drift too large 5.57286922741466 + 18.8623681561010 split increased to 2 itime 42992 itsplit 1 - acceleration/energy drift too large 2.16135244343742 - 11.9394205886957 split increased to 2 itime 52049 + acceleration/energy drift too large 7.90781967798329 + 23.1367757227237 split increased to 2 itime 43128 itsplit 1 - acceleration/energy drift too large 5.55939174065976 - 42.7504962536516 split increased to 2 itime 53275 + acceleration/energy drift too large 4.34196457651407 + 12.9784414641500 split increased to 2 itime 43332 itsplit 1 - acceleration/energy drift too large 8.31602257994133 - 27.0204632403143 split increased to 2 itime 53279 + acceleration/energy drift too large 4.77705582667231 + 13.9256602698986 split increased to 2 itime 43333 itsplit 1 - acceleration/energy drift too large 5.12993728456870 - 29.7101491669279 split increased to 2 itime 54377 + acceleration/energy drift too large 9.21726196517588 + 20.4160826997983 split increased to 2 itime 43350 itsplit 1 - acceleration/energy drift too large 8.04268163105500 - 30.4173084908962 split increased to 2 itime 54529 + acceleration/energy drift too large 3.64701890979240 + 10.4384760773738 split increased to 2 itime 43707 itsplit 1 - acceleration/energy drift too large 2.44655139350099 - 15.9372039127301 split increased to 2 itime 54992 + acceleration/energy drift too large 4.55666857674334 + 23.9126897432624 split increased to 2 itime 46091 itsplit 1 - acceleration/energy drift too large 21.1616773235411 - 143.869680430404 split increased to 2 itime 55870 + acceleration/energy drift too large 8.17219825739599 + 20.5859229021717 split increased to 2 itime 47798 itsplit 1 - acceleration/energy drift too large 5.14389275171951 - 31.8773135122805 split increased to 4 itime 55870 + acceleration/energy drift too large 4.70691925484453 + 27.4918862013750 split increased to 2 itime 48601 itsplit 1 - acceleration/energy drift too large 2.35029000902736 - 10.9620626598902 split increased to 2 itime 58269 + acceleration/energy drift too large 6.81664441642112 + 36.6802050022921 split increased to 2 itime 48846 itsplit 1 - acceleration/energy drift too large 3.20228378844777 - 10.3468642764988 split increased to 2 itime 58500 + acceleration/energy drift too large 4.50855971749213 + 17.8670925252033 split increased to 2 itime 51410 itsplit 1 - acceleration/energy drift too large 4.65765807655101 - 14.8892026530080 split increased to 2 itime 59830 + acceleration/energy drift too large 8.63002241735634 + 26.6137085188155 split increased to 2 itime 51421 itsplit 1 - acceleration/energy drift too large 3.59974977281701 - 13.1533925270847 split increased to 2 itime 60665 + acceleration/energy drift too large 3.93485080699537 + 11.3177827069448 split increased to 2 itime 53340 itsplit 1 - acceleration/energy drift too large 2.78761896976678 - 10.0727991553736 split increased to 2 itime 60670 + acceleration/energy drift too large 2.71319576501072 + 12.6841154182645 split increased to 2 itime 57655 itsplit 1 - acceleration/energy drift too large 5.65851202540563 - 17.7763467802020 split increased to 2 itime 60797 + acceleration/energy drift too large 3.28866921197398 + 11.1219189501471 split increased to 2 itime 57715 itsplit 1 - acceleration/energy drift too large 2.96501917308459 - 11.7839219613644 split increased to 2 itime 61001 + acceleration/energy drift too large 5.15915432944909 + 35.5962403316739 split increased to 2 itime 59198 itsplit 1 - acceleration/energy drift too large 2.60236041213474 - 11.0617063835897 split increased to 2 itime 61010 + acceleration/energy drift too large 10.6814875042828 + 52.8372656768800 split increased to 2 itime 59318 itsplit 1 - acceleration/energy drift too large 1.95912690953350 - 10.8382893481673 split increased to 2 itime 61024 + acceleration/energy drift too large 2.51286079612546 + 10.2505226181714 split increased to 2 itime 59458 itsplit 1 - acceleration/energy drift too large 5.06000461956855 - 16.8902696214017 split increased to 2 itime 61855 + acceleration/energy drift too large 5.41425056152957 + 29.5141317587388 split increased to 2 itime 62029 itsplit 1 - acceleration/energy drift too large 4.67426255200319 - 12.3067339319547 split increased to 2 itime 62525 + acceleration/energy drift too large 6.05550280158633 + 19.4682803761979 split increased to 2 itime 62759 itsplit 1 - acceleration/energy drift too large 3.95587620814648 - 10.7828950156177 split increased to 2 itime 62543 + acceleration/energy drift too large 6.24107069025594 + 17.7800627311053 split increased to 2 itime 62813 itsplit 1 - acceleration/energy drift too large 3.22582181253650 - 10.3690991928743 split increased to 2 itime 62545 + acceleration/energy drift too large 4.32323973696410 + 19.8338093099893 split increased to 2 itime 63177 itsplit 1 - acceleration/energy drift too large 3.22639837481331 - 12.8807587338880 split increased to 2 itime 62548 + acceleration/energy drift too large 4.65611730036295 + 15.1899104880647 split increased to 2 itime 63255 itsplit 1 - acceleration/energy drift too large 4.37147441067814 - 11.4720078160626 split increased to 2 itime 62574 + acceleration/energy drift too large 4.16036111525709 + 10.0593067222064 split increased to 2 itime 63345 itsplit 1 - acceleration/energy drift too large 3.99945626625168 - 10.9581149108782 split increased to 2 itime 62612 + acceleration/energy drift too large 3.92377906931795 + 16.8028456812701 split increased to 2 itime 63604 itsplit 1 - acceleration/energy drift too large 7.48824369904477 - 26.4579712314119 split increased to 2 itime 64991 + acceleration/energy drift too large 3.59861297460561 + 14.4455235613579 split increased to 2 itime 64243 itsplit 1 - acceleration/energy drift too large 4.33254126462293 - 11.6318764893047 split increased to 2 itime 65672 + acceleration/energy drift too large 10.9714370554461 + 56.5535712014564 split increased to 2 itime 66516 itsplit 1 - acceleration/energy drift too large 6.43534547464478 - 10.6065447763553 split increased to 2 itime 66285 + acceleration/energy drift too large 5.75575214717111 + 44.1111013285694 split increased to 2 itime 66643 itsplit 1 - acceleration/energy drift too large 4.37475016540298 - 10.3143491684647 split increased to 2 itime 66803 + acceleration/energy drift too large 2.50435027381742 + 12.4430168550362 split increased to 2 itime 67499 itsplit 1 - acceleration/energy drift too large 7.60150589733684 - 21.1255122713026 split increased to 2 itime 66827 + acceleration/energy drift too large 2.35510498491204 + 11.3573144733410 split increased to 2 itime 67505 itsplit 1 - acceleration/energy drift too large 4.18972172609408 - 13.2352448450752 split increased to 2 itime 66836 + acceleration/energy drift too large 1.51165152562169 + 16.1140123672560 split increased to 2 itime 67511 itsplit 1 - acceleration/energy drift too large 4.80196437481776 - 11.7662514024430 split increased to 2 itime 69099 + acceleration/energy drift too large 2.49498014480323 + 16.2130129792738 split increased to 2 itime 67512 itsplit 1 - acceleration/energy drift too large 8.12993272393778 - 33.5896586512979 split increased to 2 itime 70130 + acceleration/energy drift too large 3.53301627510174 + 12.5746657697493 split increased to 2 itime 67517 itsplit 1 - acceleration/energy drift too large 6.79828180574594 - 17.6916462545189 split increased to 2 itime 71672 + acceleration/energy drift too large 3.64623424471759 + 13.9642963252277 split increased to 2 itime 67518 itsplit 1 - acceleration/energy drift too large 3.58446858469148 - 12.9910010072897 split increased to 2 itime 71700 + acceleration/energy drift too large 3.45300103930126 + 10.0487847960034 split increased to 2 itime 67536 itsplit 1 - acceleration/energy drift too large 4.15925752467195 - 10.8121264460828 split increased to 2 itime 71796 + acceleration/energy drift too large 2.47923980385616 + 10.4751211942108 split increased to 2 itime 67544 itsplit 1 - acceleration/energy drift too large 4.03403006933524 - 12.5590105458999 split increased to 2 itime 72370 + acceleration/energy drift too large 3.40846390087046 + 10.4498025328995 split increased to 2 itime 67563 itsplit 1 - acceleration/energy drift too large 3.56302927492159 - 10.1519133958251 split increased to 2 itime 72377 + acceleration/energy drift too large 2.57824520705121 + 10.2401601280585 split increased to 2 itime 67580 itsplit 1 - acceleration/energy drift too large 3.98243580029397 - 14.1300835677455 split increased to 2 itime 73160 + acceleration/energy drift too large 5.01542852702226 + 15.4465033628673 split increased to 2 itime 69045 itsplit 1 - acceleration/energy drift too large 9.21982307853412 - 41.0605624745216 split increased to 2 itime 75912 + acceleration/energy drift too large 2.52533898833681 + 11.1005865518530 split increased to 2 itime 70062 itsplit 1 - acceleration/energy drift too large 2.64266772740519 - 10.8526143236911 split increased to 2 itime 75989 + acceleration/energy drift too large 9.46367102227206 + 46.3169642997431 split increased to 2 itime 72929 itsplit 1 - acceleration/energy drift too large 9.54217090400911 - 42.1593526170105 split increased to 2 itime 76446 + acceleration/energy drift too large 4.95466213715214 + 11.8827108164148 split increased to 2 itime 75654 itsplit 1 - acceleration/energy drift too large 6.99846898104689 - 20.1655479317440 split increased to 2 itime 76562 + acceleration/energy drift too large 11.3679575707500 + 67.6497354532070 split increased to 2 itime 76885 itsplit 1 - acceleration/energy drift too large 5.29450424890453 - 16.5657068013606 split increased to 2 itime 79342 + acceleration/energy drift too large 3.50123416185582 + 25.0787056487061 split increased to 2 itime 77287 itsplit 1 - acceleration/energy drift too large 3.86121343675949 - 10.5307125509861 split increased to 2 itime 79372 + acceleration/energy drift too large 9.38358974867411 + 42.6767849838563 split increased to 2 itime 77820 itsplit 1 - acceleration/energy drift too large 7.51695364015000 - 20.9120031989457 split increased to 2 itime 79810 + acceleration/energy drift too large 10.1711740543284 + 53.7029902053756 split increased to 2 itime 79424 itsplit 1 - acceleration/energy drift too large 3.07731634238367 - 10.3989006003071 split increased to 2 itime 80154 + acceleration/energy drift too large 11.1468755220041 + 54.4699277459658 split increased to 2 itime 81516 itsplit 1 - acceleration/energy drift too large 5.24878375244555 - 13.5998606895437 split increased to 2 itime 80275 + acceleration/energy drift too large 4.26880124333891 + 10.0568772608864 split increased to 2 itime 81705 itsplit 1 - acceleration/energy drift too large 4.08543964580600 - 12.6419153113048 split increased to 2 itime 81893 + acceleration/energy drift too large 8.57374541507521 + 34.6310067028717 split increased to 2 itime 84173 itsplit 1 - acceleration/energy drift too large 3.17082298896354 - 11.0652149140535 split increased to 2 itime 83857 + acceleration/energy drift too large 3.56623106209922 + 12.7238221412873 split increased to 2 itime 84174 itsplit 1 - acceleration/energy drift too large 10.4807209447992 - 50.9660168503026 split increased to 2 itime 83872 + acceleration/energy drift too large 1.98675147240097 + 10.3737256929119 split increased to 2 itime 84451 itsplit 1 - acceleration/energy drift too large 5.33018291097125 - 14.7853823867531 split increased to 2 itime 87707 + acceleration/energy drift too large 5.26834183662620 + 20.6490486506715 split increased to 2 itime 85129 itsplit 1 - acceleration/energy drift too large 8.97520495234830 - 41.2787549095013 split increased to 2 itime 87879 + acceleration/energy drift too large 6.16788937233679 + 12.5998581957218 split increased to 2 itime 86521 itsplit 1 - acceleration/energy drift too large 3.96360028684416 - 11.8907168585575 split increased to 2 itime 88502 + acceleration/energy drift too large 6.18650133326859 + 16.8845373890066 split increased to 2 itime 86780 itsplit 1 - acceleration/energy drift too large 7.15182857307978 - 17.7561155792951 split increased to 2 itime 89096 + acceleration/energy drift too large 7.34963479807984 + 23.8618488636752 split increased to 2 itime 86958 itsplit 1 - acceleration/energy drift too large 2.57703828135233 - 13.1631879151119 split increased to 2 itime 91610 + acceleration/energy drift too large 3.60805286127260 + 26.8650924619129 split increased to 2 itime 92565 itsplit 1 - acceleration/energy drift too large 6.54430620390576 - 11.9383358087576 split increased to 2 itime 95220 + acceleration/energy drift too large 4.63616507396913 + 18.1218734268102 split increased to 2 itime 92923 itsplit 1 - acceleration/energy drift too large 6.43656604245968 - 30.3767233047073 split increased to 2 itime 95824 + acceleration/energy drift too large 3.20459046543764 + 11.3620149147213 split increased to 2 itime 94519 itsplit 1 - acceleration/energy drift too large 7.25699322003709 - 22.6043704856316 split increased to 2 itime 96834 + acceleration/energy drift too large 4.59839148274791 + 10.5289471371568 split increased to 2 itime 94927 itsplit 1 - acceleration/energy drift too large 5.42022519259350 - 19.6579075272798 split increased to 2 itime 98463 + acceleration/energy drift too large 3.88452616887577 + 11.4717662571804 split increased to 2 itime 94954 itsplit 1 - acceleration/energy drift too large 5.05699437364065 - 15.1068555447324 split increased to 2 itime 98562 + acceleration/energy drift too large 4.81436846918973 + 14.8589513153011 split increased to 2 itime 96747 itsplit 1 - acceleration/energy drift too large 4.25265552366323 - 22.2342699461477 split increased to 2 itime 99132 + acceleration/energy drift too large 4.13296624004695 + 18.7294200832409 split increased to 2 itime 96803 itsplit 1 REMD synchro at 100000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 45.9921875000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 38.7382812500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 1.00000 1 +ACC 1 250.00000 0.00000 1 ACC 2 260.00000 1.00000 1 -ACC 3 270.00000 1.00000 1 -ACC 4 280.00000 1.00000 1 -ACC 5 290.00000 0.00000 1 -ACC 6 300.00000 0.00000 1 +ACC 3 270.00000 0.00000 1 +ACC 4 280.00000 0.00000 1 +ACC 5 290.00000 1.00000 1 +ACC 6 300.00000 1.00000 1 ACC 7 310.00000 0.00000 1 -ACC 8 320.00000 1.00000 1 -ACC 9 330.00000 1.00000 1 -ACC 10 340.00000 1.00000 1 -ACC 11 350.00000 1.00000 1 -ACC 12 360.00000 1.00000 1 -ACC 13 370.00000 1.00000 1 -ACC 14 380.00000 1.00000 1 -ACC 15 390.00000 1.00000 1 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 8.17571755806531 - 15.2011673842156 split increased to 2 itime 100083 - itsplit 1 - acceleration/energy drift too large 6.16794369158287 - 18.7495552631982 split increased to 2 itime 100827 - itsplit 1 - acceleration/energy drift too large 6.31771114260536 - 24.4106250381657 split increased to 2 itime 101586 - itsplit 1 - acceleration/energy drift too large 4.19574787015570 - 11.4262999867620 split increased to 2 itime 101591 - itsplit 1 - acceleration/energy drift too large 4.27519023334573 - 12.4766678356019 split increased to 2 itime 102055 - itsplit 1 - acceleration/energy drift too large 2.25428730883978 - 10.8021646233828 split increased to 2 itime 102056 - itsplit 1 - acceleration/energy drift too large 2.29539834285945 - 10.9547473618421 split increased to 2 itime 102568 - itsplit 1 - acceleration/energy drift too large 3.21634316371531 - 21.4162930733483 split increased to 2 itime 103897 - itsplit 1 - acceleration/energy drift too large 2.80062134105790 - 10.6031699179794 split increased to 2 itime 104103 - itsplit 1 - acceleration/energy drift too large 8.59107370941444 - 39.6721849501188 split increased to 2 itime 106343 - itsplit 1 - acceleration/energy drift too large 6.29946721216554 - 23.9159032951432 split increased to 2 itime 106620 - itsplit 1 - acceleration/energy drift too large 4.25473210089085 - 11.0788943030453 split increased to 2 itime 107921 - itsplit 1 - acceleration/energy drift too large 14.9784202630320 - 94.1749938652007 split increased to 2 itime 108079 - itsplit 1 - acceleration/energy drift too large 5.27367725761524 - 12.5042266379210 split increased to 2 itime 108992 - itsplit 1 - acceleration/energy drift too large 3.76218989128240 - 12.3320700534074 split increased to 2 itime 110490 - itsplit 1 - acceleration/energy drift too large 3.91634754147944 - 10.6443469109556 split increased to 2 itime 110669 - itsplit 1 - acceleration/energy drift too large 4.05926515802711 - 11.0495896627319 split increased to 2 itime 112266 - itsplit 1 - acceleration/energy drift too large 5.80407127112394 - 11.1939092781296 split increased to 2 itime 112296 - itsplit 1 - acceleration/energy drift too large 1.26239546940155 - 10.2967019993801 split increased to 2 itime 112298 - itsplit 1 - acceleration/energy drift too large 4.31969717968834 - 18.5350937429971 split increased to 2 itime 112299 - itsplit 1 - acceleration/energy drift too large 2.69458585170424 - 11.0612045400434 split increased to 2 itime 112314 - itsplit 1 - acceleration/energy drift too large 2.74610552503101 - 10.0925991762274 split increased to 2 itime 114130 - itsplit 1 - acceleration/energy drift too large 10.1571260966946 - 42.9971796576257 split increased to 2 itime 114659 - itsplit 1 - acceleration/energy drift too large 7.89712404181197 - 38.9121414417205 split increased to 2 itime 116139 - itsplit 1 - acceleration/energy drift too large 3.21271468722473 - 10.1979739681411 split increased to 2 itime 116140 - itsplit 1 - acceleration/energy drift too large 3.86678303248735 - 10.3902944070384 split increased to 2 itime 117825 - itsplit 1 - acceleration/energy drift too large 4.49869863045689 - 10.5772717642339 split increased to 2 itime 117915 - itsplit 1 - acceleration/energy drift too large 3.07885953567202 - 10.1344660707892 split increased to 2 itime 118510 - itsplit 1 - acceleration/energy drift too large 3.15518233556998 - 13.1222631641749 split increased to 2 itime 118522 - itsplit 1 - acceleration/energy drift too large 4.81079383471224 - 11.3631544592742 split increased to 2 itime 118542 - itsplit 1 - acceleration/energy drift too large 2.52366275310398 - 19.6066671688377 split increased to 2 itime 119297 - itsplit 1 - acceleration/energy drift too large 2.77824335733474 - 10.6648525557386 split increased to 2 itime 119688 - itsplit 1 - acceleration/energy drift too large 2.74622620221040 - 13.8295481055297 split increased to 2 itime 120621 - itsplit 1 - acceleration/energy drift too large 4.24333335018522 - 12.5781924548256 split increased to 2 itime 120857 - itsplit 1 - acceleration/energy drift too large 4.24040787258530 - 18.4886196003524 split increased to 2 itime 122449 - itsplit 1 - acceleration/energy drift too large 3.01115589225826 - 11.3706101851890 split increased to 2 itime 124570 - itsplit 1 - acceleration/energy drift too large 7.13061911138572 - 10.8495159768791 split increased to 2 itime 125541 - itsplit 1 - acceleration/energy drift too large 3.31609845867516 - 11.8795674528911 split increased to 2 itime 125753 - itsplit 1 - acceleration/energy drift too large 3.61691740545970 - 13.3790576396080 split increased to 2 itime 125957 - itsplit 1 - acceleration/energy drift too large 6.59230710425539 - 19.5438673406224 split increased to 2 itime 126396 - itsplit 1 - acceleration/energy drift too large 2.88835957496261 - 16.1031437880166 split increased to 2 itime 126398 - itsplit 1 - acceleration/energy drift too large 2.87783751085672 - 10.6454266528120 split increased to 2 itime 126956 - itsplit 1 - acceleration/energy drift too large 3.98137559262347 - 10.0754225635455 split increased to 2 itime 128383 - itsplit 1 - acceleration/energy drift too large 5.48809689935258 - 32.5468205778560 split increased to 2 itime 129299 - itsplit 1 - acceleration/energy drift too large 9.07750986546559 - 38.6534017539973 split increased to 2 itime 129341 - itsplit 1 - acceleration/energy drift too large 2.92032419685559 - 17.7077718573896 split increased to 2 itime 130238 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 3.13001505132709 + 10.1410210537227 split increased to 2 itime 103113 itsplit 1 - acceleration/energy drift too large 4.68734273277294 - 19.4468841837176 split increased to 2 itime 131478 + acceleration/energy drift too large 7.42879841185036 + 25.6372952805707 split increased to 2 itime 104417 itsplit 1 - acceleration/energy drift too large 3.12091239472442 - 11.9268309660226 split increased to 2 itime 131480 + acceleration/energy drift too large 7.64364978380072 + 24.9249302213754 split increased to 2 itime 104513 itsplit 1 - acceleration/energy drift too large 3.68940954040349 - 12.5180760929243 split increased to 2 itime 131481 + acceleration/energy drift too large 5.47929822869888 + 10.6755074492465 split increased to 2 itime 112758 itsplit 1 - acceleration/energy drift too large 2.73580783800752 - 13.7584427985648 split increased to 2 itime 131504 + acceleration/energy drift too large 2.59323537439544 + 17.4426821674308 split increased to 2 itime 114835 itsplit 1 - acceleration/energy drift too large 3.71653892861237 - 10.1074096898373 split increased to 2 itime 131505 + acceleration/energy drift too large 7.77242588523110 + 24.8411685599676 split increased to 2 itime 117401 itsplit 1 - acceleration/energy drift too large 3.00764766124082 - 11.2661741253589 split increased to 2 itime 131521 + acceleration/energy drift too large 7.24317506230297 + 20.4263142661891 split increased to 2 itime 118820 itsplit 1 - acceleration/energy drift too large 3.49669567762202 - 12.0453148140340 split increased to 2 itime 131626 + acceleration/energy drift too large 4.44232627491974 + 11.9474910751349 split increased to 2 itime 121712 itsplit 1 - acceleration/energy drift too large 3.59455653216657 - 10.3735484968627 split increased to 2 itime 131630 + acceleration/energy drift too large 12.2312904012305 + 69.8895282295434 split increased to 2 itime 122332 itsplit 1 - acceleration/energy drift too large 5.43520565995042 - 13.1783890775920 split increased to 2 itime 131904 + acceleration/energy drift too large 2.68948716219164 + 13.1544607788688 split increased to 4 itime 122332 + itsplit 2 + acceleration/energy drift too large 5.26876723129406 + 13.3006676456201 split increased to 2 itime 124441 itsplit 1 - acceleration/energy drift too large 4.03531388787357 - 13.6010379344806 split increased to 2 itime 132217 + acceleration/energy drift too large 12.7465853577546 + 63.6049470107854 split increased to 2 itime 126614 itsplit 1 - acceleration/energy drift too large 5.57361165601825 - 10.7371667407616 split increased to 2 itime 132221 + acceleration/energy drift too large 5.57583553064118 + 12.7994856154252 split increased to 2 itime 127139 itsplit 1 - acceleration/energy drift too large 5.94336296509131 - 13.9071306090387 split increased to 2 itime 132223 + acceleration/energy drift too large 6.49157597489070 + 19.6322090462846 split increased to 2 itime 127851 itsplit 1 - acceleration/energy drift too large 7.69514456773475 - 13.9153039026417 split increased to 2 itime 132225 + acceleration/energy drift too large 5.25026781246343 + 12.8145055601479 split increased to 2 itime 131232 itsplit 1 - acceleration/energy drift too large 4.18383373396116 - 16.7018087725217 split increased to 2 itime 132227 + acceleration/energy drift too large 5.66924627720541 + 13.7051795777903 split increased to 2 itime 132820 itsplit 1 - acceleration/energy drift too large 5.77607863449099 - 18.0000021549833 split increased to 2 itime 132228 + acceleration/energy drift too large 9.30047742638298 + 42.8965056797306 split increased to 2 itime 134001 itsplit 1 - acceleration/energy drift too large 2.79838628363987 - 18.4221415092220 split increased to 2 itime 132229 + acceleration/energy drift too large 6.40026454103283 + 23.6616223330386 split increased to 2 itime 134848 itsplit 1 - acceleration/energy drift too large 5.44554599165093 - 25.9183247127143 split increased to 2 itime 132230 + acceleration/energy drift too large 9.97652144920852 + 66.6077377959504 split increased to 2 itime 135132 itsplit 1 - acceleration/energy drift too large 4.72182724680471 - 14.9529749338405 split increased to 2 itime 132235 + acceleration/energy drift too large 6.18037926999215 + 20.7376975255477 split increased to 2 itime 135663 itsplit 1 - acceleration/energy drift too large 3.39072756431827 - 10.8269640042296 split increased to 2 itime 132236 + acceleration/energy drift too large 2.36662237546351 + 12.0325046122621 split increased to 2 itime 135782 itsplit 1 - acceleration/energy drift too large 4.23818726509806 - 10.5002664776303 split increased to 2 itime 132237 + acceleration/energy drift too large 6.04958147857810 + 12.5633021311993 split increased to 2 itime 136924 itsplit 1 - acceleration/energy drift too large 3.37258097942969 - 13.6667226598659 split increased to 2 itime 132238 + acceleration/energy drift too large 2.72752027234537 + 10.0492616001534 split increased to 2 itime 137786 itsplit 1 - acceleration/energy drift too large 5.06476170024404 - 10.0869089004748 split increased to 2 itime 132245 + acceleration/energy drift too large 3.19111068518775 + 10.1549536065718 split increased to 2 itime 137810 itsplit 1 - acceleration/energy drift too large 2.45691003649186 - 10.0065349100240 split increased to 2 itime 132247 + acceleration/energy drift too large 1.89086592180078 + 10.5430451544192 split increased to 2 itime 137814 itsplit 1 - acceleration/energy drift too large 4.95429357840774 - 17.4686468817731 split increased to 2 itime 132248 + acceleration/energy drift too large 4.12136106801102 + 20.6102857463946 split increased to 2 itime 137815 itsplit 1 - acceleration/energy drift too large 3.20523023735219 - 10.5783660874184 split increased to 2 itime 132250 + acceleration/energy drift too large 4.87297197361513 + 19.6440491558279 split increased to 2 itime 137817 itsplit 1 - acceleration/energy drift too large 3.83005983003455 - 10.3312234772840 split increased to 2 itime 132252 + acceleration/energy drift too large 2.52835526322204 + 10.5464053099332 split increased to 2 itime 137831 itsplit 1 - acceleration/energy drift too large 5.96668105658881 - 21.8648751162025 split increased to 2 itime 132352 + acceleration/energy drift too large 3.19756769138033 + 11.1280935247013 split increased to 2 itime 137888 itsplit 1 - acceleration/energy drift too large 2.57366549078258 - 10.7204174754546 split increased to 2 itime 132633 + acceleration/energy drift too large 3.99239830918571 + 10.1402887640562 split increased to 2 itime 138109 itsplit 1 - acceleration/energy drift too large 3.85374851871649 - 12.9979182914724 split increased to 2 itime 133210 + acceleration/energy drift too large 2.85739413532363 + 10.8498840126343 split increased to 2 itime 138145 itsplit 1 - acceleration/energy drift too large 3.23775310457150 - 11.0457944271487 split increased to 2 itime 133769 + acceleration/energy drift too large 3.01001304412240 + 10.0935357908378 split increased to 2 itime 138151 itsplit 1 - acceleration/energy drift too large 5.45633904929515 - 12.5173255301342 split increased to 2 itime 134059 + acceleration/energy drift too large 8.40595196882248 + 35.2210040154239 split increased to 2 itime 138705 itsplit 1 - acceleration/energy drift too large 10.5042427274165 - 38.7961028657262 split increased to 2 itime 134143 + acceleration/energy drift too large 9.45029521403067 + 51.6979762502821 split increased to 2 itime 139871 itsplit 1 - acceleration/energy drift too 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acceleration/energy drift too large 10.8814118035559 + 58.1882935820638 split increased to 2 itime 142112 itsplit 1 - acceleration/energy drift too large 3.42263173871173 - 21.8047574944509 split increased to 2 itime 136593 + acceleration/energy drift too large 2.21467060360381 + 10.3990522051491 split increased to 4 itime 142112 + itsplit 2 + acceleration/energy drift too large 4.83485506215526 + 17.9277544046312 split increased to 2 itime 144003 itsplit 1 - acceleration/energy drift too large 11.9009529607981 - 66.8872542547535 split increased to 2 itime 136967 + acceleration/energy drift too large 2.52754955332185 + 13.2325347565532 split increased to 2 itime 144145 itsplit 1 - acceleration/energy drift too large 3.87813928117670 - 17.9777184901114 split increased to 2 itime 137375 + acceleration/energy drift too large 3.87494119558397 + 12.1417911622164 split increased to 2 itime 145127 itsplit 1 - acceleration/energy drift too large 6.69986318237259 - 52.0934523914965 split 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acceleration/energy drift too large 2.77722694232665 + 10.1309552769653 split increased to 2 itime 163511 itsplit 1 - acceleration/energy drift too large 7.97021925967903 - 31.0106872532936 split increased to 2 itime 146974 + acceleration/energy drift too large 9.50884608565895 + 42.9729137572448 split increased to 2 itime 163909 itsplit 1 - acceleration/energy drift too large 2.64968138594850 - 10.4348487939822 split increased to 2 itime 147180 + acceleration/energy drift too large 6.65771366027596 + 19.8555530628809 split increased to 2 itime 164318 itsplit 1 - acceleration/energy drift too large 4.72766164730828 - 21.3638036539171 split increased to 2 itime 147198 + acceleration/energy drift too large 5.96820989635850 + 19.2326239707547 split increased to 2 itime 165220 itsplit 1 - acceleration/energy drift too large 2.27468774774603 - 10.4388103619469 split increased to 2 itime 147358 + acceleration/energy drift too large 3.67821602103221 + 17.7580861535272 split increased to 2 itime 167790 itsplit 1 - acceleration/energy drift too large 4.33499001841991 - 10.0570577443840 split increased to 2 itime 147361 + acceleration/energy drift too large 2.35245705592491 + 14.8649115573439 split increased to 2 itime 171003 itsplit 1 - acceleration/energy drift too large 3.13685399523669 - 10.3300227354659 split increased to 2 itime 147756 + acceleration/energy drift too large 3.24018786889419 + 10.9840237481048 split increased to 2 itime 171349 itsplit 1 - acceleration/energy drift too large 3.14269686216342 - 10.0836463851260 split increased to 2 itime 147933 + acceleration/energy drift too large 7.00285639505922 + 23.2267720986572 split increased to 2 itime 173092 itsplit 1 - acceleration/energy drift too large 6.60537725464165 - 43.0610365685458 split increased to 2 itime 148247 + acceleration/energy drift too large 3.10138324026833 + 19.6335899775080 split increased to 2 itime 174774 itsplit 1 - acceleration/energy drift too large 2.64025964375548 - 11.1383080121906 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acceleration/energy drift too large 8.41073242555718 + 32.3241599874662 split increased to 2 itime 191321 itsplit 1 - acceleration/energy drift too large 4.69674829760362 - 10.5919444502427 split increased to 2 itime 149998 + acceleration/energy drift too large 2.38648582316814 + 13.2283650440058 split increased to 2 itime 191720 itsplit 1 - acceleration/energy drift too large 4.66578165036902 - 17.1485190575685 split increased to 2 itime 149999 + acceleration/energy drift too large 3.99432484994876 + 10.6910181885213 split increased to 2 itime 195038 itsplit 1 - acceleration/energy drift too large 3.20977294524735 - 10.7627247048118 split increased to 2 itime 150011 + acceleration/energy drift too large 6.45766060344522 + 11.1633127065760 split increased to 2 itime 195606 itsplit 1 - acceleration/energy drift too large 4.00214273769333 - 12.5030807516012 split increased to 2 itime 150017 + acceleration/energy drift too large 5.82290105260023 + 20.4461866223593 split increased to 2 itime 196263 itsplit 1 - acceleration/energy drift too large 3.43984456760827 - 13.1763226986233 split increased to 2 itime 150052 + acceleration/energy drift too large 9.71023984330179 + 42.9650712341454 split increased to 2 itime 198720 itsplit 1 - acceleration/energy drift too large 4.83408835262600 - 12.3750021995095 split increased to 2 itime 150065 + acceleration/energy drift too large 10.1872791579988 + 52.6925621346871 split increased to 2 itime 199835 itsplit 1 - acceleration/energy drift too large 3.55856426423091 - 10.2469221846266 split increased to 2 itime 150067 + REMD synchro at 200000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 78.4375000000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.00000 2 +ACC 2 260.00000 1.00000 2 +ACC 3 270.00000 0.50000 2 +ACC 4 280.00000 0.50000 2 +ACC 5 290.00000 0.50000 2 +ACC 6 300.00000 1.00000 2 +ACC 7 310.00000 0.50000 2 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 12.2084485626411 + 53.6108638583661 split increased to 2 itime 200051 itsplit 1 - acceleration/energy drift too large 2.78850262144462 - 11.6446264657594 split increased to 2 itime 150094 + acceleration/energy drift too large 2.53810576881656 + 11.4808941276954 split increased to 4 itime 200051 + itsplit 2 + acceleration/energy drift too large 7.55872018123679 + 29.7927212748254 split increased to 2 itime 201009 itsplit 1 - acceleration/energy drift too large 3.71156129396044 - 11.1774964988724 split increased to 2 itime 150096 + acceleration/energy drift too large 8.95224165869119 + 27.8983319151703 split increased to 2 itime 205406 itsplit 1 - acceleration/energy drift too large 2.87646265974063 - 10.7640919884107 split increased to 2 itime 150140 + acceleration/energy drift too large 9.07098645266622 + 38.6032995124068 split increased to 2 itime 208750 itsplit 1 - acceleration/energy drift too large 4.29562816412618 - 10.3893442009059 split increased to 2 itime 150142 + acceleration/energy drift too large 13.1754113330734 + 90.1809833178590 split increased to 2 itime 208775 itsplit 1 - acceleration/energy drift too large 3.38038869795772 - 13.5503179181994 split increased to 2 itime 150148 + acceleration/energy drift too large 8.68604181889735 + 33.4372463370927 split increased to 2 itime 209150 itsplit 1 - acceleration/energy drift too large 2.63795474875690 - 11.7805354711352 split increased to 2 itime 150149 + acceleration/energy drift too large 2.45260108494234 + 11.9763295654877 split increased to 2 itime 209568 itsplit 1 - acceleration/energy drift too large 3.77653615409900 - 10.9242903433014 split increased to 2 itime 150150 + acceleration/energy drift too large 8.33655843070247 + 23.5659169703030 split increased to 2 itime 210592 itsplit 1 - acceleration/energy drift too large 3.25353134795093 - 20.3642927025087 split increased to 2 itime 150151 + acceleration/energy drift too large 6.40284348209486 + 18.2833200959135 split increased to 2 itime 215211 itsplit 1 - acceleration/energy drift too large 4.04854742867167 - 10.6447109395184 split increased to 2 itime 150152 + acceleration/energy drift too large 15.3435710635003 + 106.134828552885 split increased to 2 itime 215759 itsplit 1 - acceleration/energy drift too large 3.32070124217529 - 22.7569130697103 split increased to 2 itime 150153 + acceleration/energy drift too large 7.72564258503192 + 29.2105405852435 split increased to 2 itime 216380 itsplit 1 - acceleration/energy drift too large 3.96068916686783 - 10.1554654988664 split increased to 2 itime 150155 + acceleration/energy drift too large 8.03076727820753 + 33.8398247413509 split increased to 2 itime 217032 itsplit 1 - acceleration/energy drift too large 3.74776551794727 - 10.6305201096411 split increased to 2 itime 150156 + acceleration/energy drift too large 1.79885122075765 + 14.6974936613242 split increased to 2 itime 217033 itsplit 1 - acceleration/energy drift too large 3.15703313014993 - 10.7458247269109 split increased to 2 itime 150157 + acceleration/energy drift too large 3.42984444970851 + 25.4748699041339 split increased to 2 itime 217766 itsplit 1 - acceleration/energy drift too large 3.89456333468890 - 12.6490342023766 split increased to 2 itime 150159 + acceleration/energy drift too large 9.92133896073913 + 46.1141390371501 split increased to 2 itime 220551 itsplit 1 - acceleration/energy drift too large 2.29508872731756 - 11.2496627412762 split increased to 2 itime 150292 + acceleration/energy drift too large 3.86581732121221 + 12.6818810062393 split increased to 2 itime 225885 itsplit 1 - acceleration/energy drift too large 3.91027226684611 - 10.7592548956926 split increased to 2 itime 150295 + acceleration/energy drift too large 4.75556207989291 + 23.7514322447296 split increased to 2 itime 229101 itsplit 1 - acceleration/energy drift too large 6.17082844510436 - 11.1722453525526 split increased to 2 itime 151447 + acceleration/energy drift too large 5.96454573739078 + 15.1323178318082 split increased to 2 itime 230540 itsplit 1 - acceleration/energy drift too large 2.76798839205613 - 17.4748575118951 split increased to 2 itime 151629 + acceleration/energy drift too large 3.42487620865555 + 10.3721888933533 split increased to 2 itime 231526 itsplit 1 - acceleration/energy drift too large 7.32911643721605 - 24.5211866892728 split increased to 2 itime 152176 + acceleration/energy drift too large 3.98801109571964 + 16.1502365642523 split increased to 2 itime 232127 itsplit 1 - acceleration/energy drift too large 5.21267571530118 - 13.4275007450735 split increased to 2 itime 152956 + acceleration/energy drift too large 7.08469640313974 + 23.1904142397815 split increased to 2 itime 234644 itsplit 1 - acceleration/energy drift too large 6.58637069196637 - 12.6367397438123 split increased to 2 itime 153320 + acceleration/energy drift too large 4.93775003788783 + 26.3669011701329 split increased to 2 itime 238322 itsplit 1 - acceleration/energy drift too large 4.96288190025425 - 13.3086954744678 split increased to 2 itime 154391 + acceleration/energy drift too large 2.86865279559611 + 11.8612338762924 split increased to 2 itime 238780 itsplit 1 - acceleration/energy drift too large 7.19742793236590 - 23.5308886949411 split increased to 2 itime 155310 + acceleration/energy drift too large 14.9987157615550 + 96.2927253197508 split increased to 2 itime 242801 itsplit 1 - acceleration/energy drift too large 6.61850946963791 - 17.8488605034831 split increased to 2 itime 155317 + acceleration/energy drift too large 11.1887830328447 + 52.7840892820987 split increased to 2 itime 244036 itsplit 1 - acceleration/energy drift too large 4.41482611694815 - 10.8713563154167 split increased to 2 itime 155897 + acceleration/energy drift too large 2.17365828266367 + 19.5481246997944 split 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65.0234065118579 split increased to 2 itime 156688 + acceleration/energy drift too large 3.99280691445085 + 28.2701787869753 split increased to 2 itime 254716 itsplit 1 - acceleration/energy drift too large 3.23658377930189 - 10.1884145098446 split increased to 2 itime 157231 + acceleration/energy drift too large 2.38701850151646 + 10.4971632893545 split increased to 2 itime 256229 itsplit 1 - acceleration/energy drift too large 6.55198662714626 - 13.4077497645363 split increased to 2 itime 157257 + acceleration/energy drift too large 6.29779030790586 + 25.8730097264853 split increased to 2 itime 258121 itsplit 1 - acceleration/energy drift too large 2.97373710226050 - 11.8315659500505 split increased to 2 itime 157741 + acceleration/energy drift too large 7.44525875256638 + 39.3836564068932 split increased to 2 itime 258707 itsplit 1 - acceleration/energy drift too large 3.34309588122220 - 12.1322328317018 split increased to 2 itime 157947 + acceleration/energy drift too large 12.4135413288451 + 55.5102788257445 split increased to 2 itime 259403 itsplit 1 - acceleration/energy drift too large 4.64515902973695 - 13.5326636979388 split increased to 2 itime 159746 + acceleration/energy drift too large 2.65543237745000 + 12.0025509471393 split increased to 2 itime 265674 itsplit 1 - acceleration/energy drift too large 3.12767226917974 - 12.0654673513253 split increased to 2 itime 159747 + acceleration/energy drift too large 2.06613873680979 + 12.2617485722993 split increased to 2 itime 265681 itsplit 1 - acceleration/energy drift too large 5.88611780452978 - 14.8694179836057 split increased to 2 itime 159795 + acceleration/energy drift too large 3.13762773440860 + 10.8292687716040 split increased to 2 itime 265683 itsplit 1 - acceleration/energy drift too large 4.75916688840520 - 17.1277758250013 split increased to 2 itime 159913 + acceleration/energy drift too large 2.81285555564065 + 10.9593771113962 split increased to 2 itime 265692 itsplit 1 - acceleration/energy drift too large 6.77221058186728 - 17.8727038256621 split increased to 2 itime 163483 + acceleration/energy drift too large 3.38952210418907 + 14.0784694161536 split increased to 2 itime 265890 itsplit 1 - acceleration/energy drift too large 6.53716398853630 - 26.4678588487029 split increased to 2 itime 164377 + acceleration/energy drift too large 11.1001329471798 + 51.8536583414426 split increased to 2 itime 266749 itsplit 1 - acceleration/energy drift too large 4.11265753394077 - 13.2277084781393 split increased to 2 itime 164771 + acceleration/energy drift too large 7.80939107915785 + 22.7586465545398 split increased to 2 itime 267371 itsplit 1 - acceleration/energy drift too large 4.85718611819306 - 12.2457208602390 split increased to 2 itime 165265 + acceleration/energy drift too large 4.33983222209805 + 12.2111350298332 split increased to 2 itime 270506 itsplit 1 - acceleration/energy drift too large 2.46643223244218 - 11.4079254893662 split increased to 2 itime 165515 + acceleration/energy drift too large 3.63291128698837 + 10.1576368425821 split increased to 2 itime 271178 itsplit 1 - acceleration/energy drift too large 6.08290718359029 - 13.9389658298268 split increased to 2 itime 166266 + acceleration/energy drift too large 2.54247680609218 + 10.1803463167128 split increased to 2 itime 274561 itsplit 1 - acceleration/energy drift too large 5.21727086933181 - 19.6525316208381 split increased to 2 itime 166667 + acceleration/energy drift too large 3.07126177362703 + 10.0445037538388 split increased to 2 itime 274693 itsplit 1 - acceleration/energy drift too large 4.10799537075402 - 10.9024929994254 split increased to 2 itime 167783 + acceleration/energy drift too large 2.49757231335019 + 10.2344073261167 split increased to 2 itime 274758 itsplit 1 - acceleration/energy drift too large 6.06864506666801 - 16.0304185337795 split increased to 2 itime 168309 + acceleration/energy drift too large 5.49775122601844 + 13.2721919813381 split increased to 2 itime 280580 itsplit 1 - acceleration/energy drift too large 3.67772051067840 - 10.2988238098860 split increased to 2 itime 170339 + acceleration/energy drift too large 5.01330379975365 + 18.6797560492280 split increased to 2 itime 281897 itsplit 1 - acceleration/energy drift too large 6.70804677569938 - 29.8682722459196 split increased to 2 itime 170815 + acceleration/energy drift too large 2.19453561861262 + 10.1661175165272 split increased to 2 itime 283308 itsplit 1 - acceleration/energy drift too large 2.96455377926515 - 10.0679490568457 split increased to 2 itime 170841 + acceleration/energy drift too large 4.19230346213308 + 13.7416301125946 split increased to 2 itime 283534 itsplit 1 - acceleration/energy drift too large 2.50725736232368 - 10.7857855097085 split increased to 2 itime 170866 + acceleration/energy drift too large 10.7575306802793 + 56.2501450627783 split increased to 2 itime 291227 itsplit 1 - acceleration/energy drift too large 8.53510587373955 - 12.4604557743218 split increased to 2 itime 170909 + acceleration/energy drift too large 4.70277060063352 + 11.0147728582671 split increased to 2 itime 291642 itsplit 1 - acceleration/energy drift too large 6.27449999181136 - 24.5781404930958 split increased to 2 itime 172262 + acceleration/energy drift too large 6.06761348131801 + 19.5350047137485 split increased to 2 itime 292810 itsplit 1 - acceleration/energy drift too large 3.69158631053476 - 21.6265167314422 split increased to 2 itime 173070 + acceleration/energy drift too large 2.45355661794724 + 10.0668239644584 split increased to 2 itime 299351 itsplit 1 - acceleration/energy drift too large 4.27036742827382 - 10.0004974003630 split increased to 2 itime 173345 + acceleration/energy drift too large 2.61841955106773 + 10.9013641768885 split increased to 2 itime 299463 itsplit 1 - acceleration/energy drift too large 6.28237625324244 - 26.3216131885768 split increased to 2 itime 173694 + acceleration/energy drift too large 2.64006131933536 + 17.3861906171351 split increased to 2 itime 299880 itsplit 1 - acceleration/energy drift too large 3.73305551464882 - 17.4672799952438 split increased to 2 itime 174096 + REMD synchro at 300000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 118.109375000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.00000 3 +ACC 2 260.00000 1.00000 3 +ACC 3 270.00000 0.66667 3 +ACC 4 280.00000 0.33333 3 +ACC 5 290.00000 0.66667 3 +ACC 6 300.00000 1.00000 3 +ACC 7 310.00000 0.33333 3 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 4.72793967015098 + 15.1752628844156 split increased to 2 itime 300756 itsplit 1 - acceleration/energy drift too large 6.16861718024993 - 35.1434160928447 split increased to 2 itime 174341 + acceleration/energy drift too large 4.66040627613142 + 23.4182183203648 split increased to 2 itime 300911 itsplit 1 - acceleration/energy drift too large 6.19833779245507 - 16.9605417536041 split increased to 2 itime 174929 + acceleration/energy drift too large 3.61596973682947 + 15.0953045151588 split increased to 2 itime 301915 itsplit 1 - acceleration/energy drift too large 5.95661820454820 - 20.7875135712371 split increased to 2 itime 176765 + acceleration/energy drift too large 3.66210427036869 + 14.2418825586096 split increased to 2 itime 303554 itsplit 1 - acceleration/energy drift too large 4.70311839190071 - 10.7478924955815 split increased to 2 itime 177647 + acceleration/energy drift too large 4.67370280541112 + 18.8431776909442 split increased to 2 itime 304417 itsplit 1 - acceleration/energy drift too large 2.97497497528995 - 10.0624831701879 split increased to 2 itime 178202 + acceleration/energy drift too large 1.45602157451694 + 16.2795388291869 split increased to 2 itime 304418 itsplit 1 - acceleration/energy drift too large 2.75087836577381 - 12.8736838420008 split increased to 2 itime 178227 + acceleration/energy drift too large 2.99435547775342 + 11.7038953281149 split increased to 2 itime 304584 itsplit 1 - acceleration/energy drift too large 3.11624586939148 - 10.1441650308257 split increased to 2 itime 178468 + acceleration/energy drift too large 11.0831346111954 + 58.0964280669970 split increased to 2 itime 311730 itsplit 1 - acceleration/energy drift too large 4.93853954885600 - 11.6988276739245 split increased to 2 itime 178855 + acceleration/energy drift too large 4.81510104681937 + 17.8281621572103 split increased to 2 itime 314056 itsplit 1 - acceleration/energy drift too large 7.00856015307153 - 12.4401071455529 split increased to 2 itime 179053 + acceleration/energy drift too large 6.40786411222459 + 22.9634805792219 split increased to 2 itime 316288 itsplit 1 - acceleration/energy drift too large 2.56821442655174 - 10.6763614024172 split increased to 2 itime 179713 + acceleration/energy drift too large 7.54219908503625 + 25.5996617916688 split increased to 2 itime 317694 itsplit 1 - acceleration/energy drift too large 2.93565761372467 - 11.1274396866791 split increased to 2 itime 179735 + acceleration/energy drift too large 2.09454046209944 + 10.2517218977358 split increased to 2 itime 320285 itsplit 1 - acceleration/energy drift too large 3.01744362721822 - 10.9869513544512 split increased to 2 itime 179866 + acceleration/energy drift too large 4.80102152897987 + 29.9677296310039 split increased to 2 itime 325606 itsplit 1 - acceleration/energy drift too large 3.90047913607958 - 10.0851929432956 split increased to 2 itime 180851 + acceleration/energy drift too large 3.56737180697507 + 20.2125978686371 split increased to 2 itime 326037 itsplit 1 - acceleration/energy drift too large 2.83140525967270 - 10.8855015031401 split increased to 2 itime 181467 + acceleration/energy drift too large 7.22713320417288 + 22.2475233785378 split increased to 2 itime 329471 itsplit 1 - acceleration/energy drift too large 8.91310102538601 - 35.6380038725245 split increased to 2 itime 181545 + acceleration/energy drift too large 6.82800698438666 + 20.7980271650654 split increased to 2 itime 334536 itsplit 1 - acceleration/energy drift too large 5.83800774137487 - 18.2621704279045 split increased to 2 itime 182098 + acceleration/energy drift too large 4.96338155418168 + 12.4474381848688 split increased to 2 itime 335036 itsplit 1 - acceleration/energy drift too large 2.53403834011763 - 10.0780292418203 split increased to 2 itime 183650 + acceleration/energy drift too large 4.53507186381455 + 14.2045366308279 split increased to 2 itime 335677 itsplit 1 - acceleration/energy drift too large 4.13415572799205 - 10.8295672521748 split increased to 2 itime 183694 + acceleration/energy drift too large 4.62972647630605 + 12.5550411995306 split increased to 2 itime 336192 itsplit 1 - acceleration/energy drift too large 4.17979540931945 - 10.0549133978134 split increased to 2 itime 184195 + acceleration/energy drift too large 6.06755998182457 + 27.8886634979340 split increased to 2 itime 336238 itsplit 1 - acceleration/energy drift too large 6.55676012557181 - 14.3578831301027 split increased to 2 itime 184239 + acceleration/energy drift too large 2.83496922734442 + 12.0452628164488 split increased to 2 itime 341105 itsplit 1 - acceleration/energy drift too large 4.52084989544459 - 10.9526994407804 split increased to 2 itime 184243 + acceleration/energy drift too large 5.70499867575682 + 18.6330729513646 split increased to 2 itime 341729 itsplit 1 - acceleration/energy drift too large 2.41919248031248 - 11.4482042688969 split increased to 2 itime 185216 + acceleration/energy drift too large 10.2509021064175 + 54.3307812079466 split increased to 2 itime 343627 itsplit 1 - acceleration/energy drift too large 1.98190666502525 - 10.3596130499509 split increased to 2 itime 185263 + acceleration/energy drift too large 4.53567379925911 + 15.5787465032927 split increased to 2 itime 344765 itsplit 1 - acceleration/energy drift too large 4.03340177244413 - 18.7844800633522 split increased to 2 itime 186031 + acceleration/energy drift too large 2.34910412647582 + 11.4066831717411 split increased to 2 itime 345135 itsplit 1 - acceleration/energy drift too large 2.69959282153786 - 10.2025466988030 split increased to 2 itime 186158 + acceleration/energy drift too large 3.34112593912448 + 12.3503628231198 split increased to 2 itime 345809 itsplit 1 - acceleration/energy drift too large 4.86363116231976 - 10.4305891179488 split increased to 2 itime 186606 + acceleration/energy drift too large 3.92054093281767 + 10.3619888680073 split increased to 2 itime 345957 itsplit 1 - acceleration/energy drift too large 3.81940134957707 - 10.1502128830778 split increased to 2 itime 186627 + acceleration/energy drift too large 4.60188697922431 + 13.5374110552558 split increased to 2 itime 346379 itsplit 1 - acceleration/energy drift too large 11.7149328424614 - 58.2273097132392 split increased to 2 itime 187117 + acceleration/energy drift too large 3.72544866392539 + 10.3183611689152 split increased to 2 itime 347557 itsplit 1 - acceleration/energy drift too large 5.86031610978054 - 15.6766148942222 split increased to 2 itime 187386 + acceleration/energy drift too large 5.06628129110537 + 11.1652123159367 split increased to 2 itime 348951 itsplit 1 - acceleration/energy drift too large 4.40183556057235 - 12.3912652600398 split increased to 2 itime 187571 + acceleration/energy drift too large 4.16072166864979 + 18.9931939795688 split increased to 2 itime 349363 itsplit 1 - acceleration/energy drift too large 7.89178000433836 - 27.7452453912900 split increased to 2 itime 187790 + acceleration/energy drift too large 2.29507012800224 + 10.9139930650483 split increased to 2 itime 350122 itsplit 1 - acceleration/energy drift too large 3.77439290481200 - 20.9454962891674 split increased to 2 itime 188124 + acceleration/energy drift too large 4.29322202576090 + 10.9735591274698 split increased to 2 itime 350795 itsplit 1 - acceleration/energy drift too large 10.0286433712830 - 46.2771450310216 split increased to 2 itime 188580 + acceleration/energy drift too large 9.82286353074248 + 44.0750951110660 split increased to 2 itime 351103 itsplit 1 - acceleration/energy drift too large 7.41276881336916 - 14.3891970587383 split increased to 2 itime 188838 + acceleration/energy drift too large 4.08168175575937 + 18.9210472126944 split increased to 2 itime 356037 itsplit 1 - acceleration/energy drift too large 2.37448097897313 - 17.2367198077943 split increased to 2 itime 188887 + acceleration/energy drift too large 3.90699506859462 + 10.1145620328750 split increased to 2 itime 357297 itsplit 1 - acceleration/energy drift too large 1.44092376173216 - 10.2841812993479 split increased to 2 itime 189236 + acceleration/energy drift too large 4.45667366680077 + 13.1513532966716 split increased to 2 itime 357386 itsplit 1 - acceleration/energy drift too large 4.96512035336011 - 15.7511935291162 split increased to 2 itime 189344 + acceleration/energy drift too large 2.93896860614967 + 10.9492343401078 split increased to 2 itime 357539 itsplit 1 - acceleration/energy drift too large 3.33198830177967 - 11.4718336115094 split increased to 2 itime 189463 + acceleration/energy drift too large 4.19998924610281 + 11.3378070198131 split increased to 2 itime 357603 itsplit 1 - acceleration/energy drift too large 4.10223047460260 - 15.0205012976199 split increased to 2 itime 190056 + acceleration/energy drift too large 6.87404532260868 + 16.8515227764894 split increased to 2 itime 358947 itsplit 1 - acceleration/energy drift too large 2.46708963946001 - 10.4359922158438 split increased to 2 itime 190319 + acceleration/energy drift too large 5.27316141157960 + 24.1435435160295 split increased to 2 itime 361684 itsplit 1 - acceleration/energy drift too large 4.50659652898448 - 10.1355964298644 split increased to 2 itime 190321 + acceleration/energy drift too large 4.47229702050832 + 13.4202958101381 split increased to 2 itime 368819 itsplit 1 - acceleration/energy drift too large 3.65201927595873 - 10.7786120437239 split increased to 2 itime 190329 + acceleration/energy drift too large 6.25758447509473 + 18.9183394314035 split increased to 2 itime 369261 itsplit 1 - acceleration/energy drift too large 5.40913077282803 - 10.0962469681957 split increased to 2 itime 190333 + acceleration/energy drift too large 6.12288706322436 + 36.7787192796118 split increased to 2 itime 371873 itsplit 1 - acceleration/energy drift too large 4.70036783536982 - 12.6969678671029 split increased to 2 itime 190370 + acceleration/energy drift too large 2.71939078146220 + 10.6363014882108 split increased to 2 itime 376517 itsplit 1 - acceleration/energy drift too large 3.59171689603184 - 11.3557248137280 split increased to 2 itime 190379 + acceleration/energy drift too large 4.02947389765559 + 10.1322742203006 split increased to 2 itime 376527 itsplit 1 - acceleration/energy drift too large 6.58790628246656 - 12.4896272519525 split increased to 2 itime 190729 + acceleration/energy drift too large 5.60607543290980 + 22.8571536437450 split increased to 2 itime 377009 itsplit 1 - acceleration/energy drift too large 4.39865850092240 - 12.6965121750561 split increased to 2 itime 190955 + acceleration/energy drift too large 5.08356101092109 + 11.2211356159098 split increased to 2 itime 377568 itsplit 1 - acceleration/energy drift too large 2.08991283463400 - 10.1584886113200 split increased to 2 itime 192484 + acceleration/energy drift too large 4.69946442072449 + 13.9777696212737 split increased to 2 itime 381318 itsplit 1 - acceleration/energy drift too large 7.59939020768112 - 30.5223882365984 split increased to 2 itime 192602 + acceleration/energy drift too large 9.34069644899130 + 34.0555605910648 split increased to 2 itime 383493 itsplit 1 - acceleration/energy drift too large 4.16548879629661 - 10.2185273040875 split increased to 2 itime 193005 + acceleration/energy drift too large 6.27248498501550 + 10.4039078718275 split increased to 2 itime 390244 itsplit 1 - acceleration/energy drift too large 6.28927173873436 - 12.5536476526056 split increased to 2 itime 193947 + acceleration/energy drift too large 6.52577007005597 + 26.6490801364831 split increased to 2 itime 390544 itsplit 1 - acceleration/energy drift too large 12.2642592076063 - 67.1256047139475 split increased to 2 itime 194077 + acceleration/energy drift too large 5.41096965651657 + 19.4284264358583 split increased to 2 itime 391032 itsplit 1 - acceleration/energy drift too large 2.45834399292747 - 10.8917379312515 split increased to 4 itime 194077 - itsplit 2 - acceleration/energy drift too large 6.98158986680603 - 19.5481646554196 split increased to 2 itime 195703 + acceleration/energy drift too large 9.65886191056836 + 33.8381494710579 split increased to 2 itime 393221 itsplit 1 - acceleration/energy drift too large 3.56814895462811 - 17.9074515036942 split increased to 2 itime 195704 + acceleration/energy drift too large 11.9468472090546 + 82.4751608104003 split increased to 2 itime 393729 itsplit 1 - acceleration/energy drift too large 5.02881354769344 - 12.9950757189103 split increased to 2 itime 197186 + acceleration/energy drift too large 10.4699304006037 + 58.5649932729230 split increased to 2 itime 394997 itsplit 1 - acceleration/energy drift too large 4.73342963105735 - 10.8721306937392 split increased to 2 itime 199241 + acceleration/energy drift too large 2.20445882038501 + 10.9818511065717 split increased to 2 itime 396057 itsplit 1 - acceleration/energy drift too large 6.70513216285429 - 20.4557372742857 split increased to 2 itime 199666 + acceleration/energy drift too large 8.06703128456995 + 30.8844960251752 split increased to 2 itime 397072 itsplit 1 - acceleration/energy drift too large 1.04057948859272 - 12.7797592386721 split increased to 2 itime 199970 + acceleration/energy drift too large 6.72810857639519 + 23.1823116638008 split increased to 2 itime 398147 itsplit 1 - REMD synchro at 200000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + REMD synchro at 400000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 92.0312500000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 157.765625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 1.00000 2 -ACC 2 260.00000 0.50000 2 -ACC 3 270.00000 1.00000 2 -ACC 4 280.00000 1.00000 2 -ACC 5 290.00000 0.50000 2 -ACC 6 300.00000 0.00000 2 -ACC 7 310.00000 0.50000 2 -ACC 8 320.00000 1.00000 2 -ACC 9 330.00000 1.00000 2 -ACC 10 340.00000 0.50000 2 -ACC 11 350.00000 1.00000 2 -ACC 12 360.00000 1.00000 2 -ACC 13 370.00000 1.00000 2 -ACC 14 380.00000 1.00000 2 -ACC 15 390.00000 1.00000 2 +ACC 1 250.00000 0.00000 4 +ACC 2 260.00000 1.00000 4 +ACC 3 270.00000 0.50000 4 +ACC 4 280.00000 0.25000 4 +ACC 5 290.00000 0.75000 4 +ACC 6 300.00000 1.00000 4 +ACC 7 310.00000 0.50000 4 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 5.89140773579453 - 20.1261234554063 split increased to 2 itime 200422 - itsplit 1 - acceleration/energy drift too large 2.67212851402764 - 11.9623191295414 split increased to 2 itime 204334 - itsplit 1 - acceleration/energy drift too large 5.67127927179852 - 18.6271891386428 split increased to 2 itime 206664 - itsplit 1 - acceleration/energy drift too large 5.20973200413908 - 16.2398469989206 split increased to 2 itime 207634 - itsplit 1 - acceleration/energy drift too large 5.37405403857844 - 10.9401194160197 split increased to 2 itime 207676 - itsplit 1 - acceleration/energy drift too large 4.68426077676845 - 13.3243031206463 split increased to 2 itime 207884 - itsplit 1 - acceleration/energy drift too large 4.88568378353922 - 15.9211630911968 split increased to 2 itime 209322 - itsplit 1 - acceleration/energy drift too large 6.43315335181029 - 13.9355170884810 split increased to 2 itime 209390 - itsplit 1 - acceleration/energy drift too large 4.86493513826720 - 10.7748440573885 split increased to 2 itime 210131 - itsplit 1 - acceleration/energy drift too large 6.60145543380702 - 12.3785132943523 split increased to 2 itime 210572 - itsplit 1 - acceleration/energy drift too large 6.04212929909171 - 14.0271732180988 split increased to 2 itime 210657 - itsplit 1 - acceleration/energy drift too large 3.84368257839257 - 12.1457210057433 split increased to 2 itime 211141 - itsplit 1 - acceleration/energy drift too large 3.57890149372398 - 12.0054272742083 split increased to 2 itime 211184 - itsplit 1 - acceleration/energy drift too large 2.93300576737238 - 11.2650361174141 split increased to 2 itime 211186 - itsplit 1 - acceleration/energy drift too large 3.73619167792808 - 13.5583512941130 split increased to 2 itime 211195 - itsplit 1 - acceleration/energy drift too large 2.47742605844003 - 10.3696702022400 split increased to 2 itime 211282 - itsplit 1 - acceleration/energy drift too large 6.85983101527020 - 13.1438688970155 split increased to 2 itime 212038 - itsplit 1 - acceleration/energy drift too large 4.49530212189726 - 10.5027577718120 split increased to 2 itime 212132 - itsplit 1 - acceleration/energy drift too large 3.02262038911598 - 21.0405310019208 split increased to 2 itime 212254 - itsplit 1 - acceleration/energy drift too large 2.60641090206459 - 11.1759935907099 split increased to 2 itime 212521 - itsplit 1 - acceleration/energy drift too large 2.17601343047985 - 10.8301623582553 split increased to 2 itime 213116 - itsplit 1 - acceleration/energy drift too large 8.81292881921265 - 30.0470426097718 split increased to 2 itime 213202 - itsplit 1 - acceleration/energy drift too large 9.21347905089017 - 71.8210814984476 split increased to 2 itime 213404 - itsplit 1 - acceleration/energy drift too large 3.59378539825926 - 17.3240513880344 split increased to 4 itime 213404 - itsplit 1 - acceleration/energy drift too large 6.45057815202493 - 11.3656779755562 split increased to 2 itime 214214 - itsplit 1 - acceleration/energy drift too large 3.46975042281598 - 13.0077845662960 split increased to 2 itime 214431 - itsplit 1 - acceleration/energy drift too large 3.25686699861687 - 22.3656064306962 split increased to 2 itime 214444 - itsplit 1 - acceleration/energy drift too large 6.08095208557491 - 16.5762482119700 split increased to 2 itime 215370 - itsplit 1 - acceleration/energy drift too large 3.29959381309558 - 21.7881025986515 split increased to 2 itime 216875 - itsplit 1 - acceleration/energy drift too large 3.88729862219471 - 12.3538222230310 split increased to 2 itime 217176 - itsplit 1 - acceleration/energy drift too large 3.64075713991041 - 10.7080828190525 split increased to 2 itime 217245 - itsplit 1 - acceleration/energy drift too large 2.42631452136178 - 15.2184791371916 split increased to 2 itime 217597 - itsplit 1 - acceleration/energy drift too large 3.52021198002880 - 13.0374615382126 split increased to 2 itime 219023 - itsplit 1 - acceleration/energy drift too large 3.05898031782923 - 10.6249982858627 split increased to 2 itime 219904 - itsplit 1 - acceleration/energy drift too large 4.78417930194089 - 14.4682307183480 split increased to 2 itime 220337 - itsplit 1 - acceleration/energy drift too large 2.99833795595973 - 20.2441797499467 split increased to 2 itime 220739 - itsplit 1 - acceleration/energy drift too large 4.66661002810892 - 10.6777772369912 split increased to 2 itime 221279 - itsplit 1 - acceleration/energy drift too large 7.72309973495581 - 14.0895720902613 split increased to 2 itime 221445 - itsplit 1 - acceleration/energy drift too large 5.42593037005469 - 31.5314116559423 split increased to 2 itime 222799 - itsplit 1 - acceleration/energy drift too large 4.50490831398529 - 11.4671367754913 split increased to 2 itime 224683 - itsplit 1 - acceleration/energy drift too large 2.27177151500904 - 10.5356498598780 split increased to 2 itime 225776 - itsplit 1 - acceleration/energy drift too large 2.19732346696231 - 11.8332016130080 split increased to 2 itime 225832 - itsplit 1 - acceleration/energy drift too large 2.51887478660767 - 10.2747267193610 split increased to 2 itime 225891 - itsplit 1 - acceleration/energy drift too large 2.41596204802662 - 10.5440911099887 split increased to 2 itime 226405 - itsplit 1 - acceleration/energy drift too large 5.33717232565395 - 10.6291476059849 split increased to 2 itime 228353 - itsplit 1 - acceleration/energy drift too large 2.78206740104671 - 10.9922140051605 split increased to 2 itime 228393 - itsplit 1 - acceleration/energy drift too large 2.36212436275253 - 10.1411116468757 split increased to 2 itime 228402 - itsplit 1 - acceleration/energy drift too large 3.39102641214088 - 10.6470985701875 split increased to 2 itime 228482 - itsplit 1 - acceleration/energy drift too large 2.79876999680024 - 11.4219577502338 split increased to 2 itime 228641 - itsplit 1 - acceleration/energy drift too large 3.04521331077474 - 10.0574044262743 split increased to 2 itime 228870 - itsplit 1 - acceleration/energy drift too large 3.44090354360418 - 10.1982163425776 split increased to 2 itime 228872 - itsplit 1 - acceleration/energy drift too large 2.74943885471165 - 16.8154284923089 split increased to 2 itime 229026 - itsplit 1 - acceleration/energy drift too large 3.84592297916786 - 11.4253139423951 split increased to 2 itime 229031 - itsplit 1 - acceleration/energy drift too large 6.10090881447645 - 14.2654374811945 split increased to 2 itime 229452 - itsplit 1 - acceleration/energy drift too large 3.72015428735500 - 11.3791559591323 split increased to 2 itime 230681 - itsplit 1 - acceleration/energy drift too large 5.47115327367603 - 15.0167587134042 split increased to 2 itime 234245 - itsplit 1 - acceleration/energy drift too large 2.38248945564126 - 11.2001864684453 split increased to 2 itime 234407 - itsplit 1 - acceleration/energy drift too large 3.81400872510888 - 24.6291113489352 split increased to 2 itime 235689 - itsplit 1 - acceleration/energy drift too large 8.84817567743045 - 37.5781656042780 split increased to 2 itime 236680 - itsplit 1 - acceleration/energy drift too large 4.25537828495053 - 13.8937809784291 split increased to 2 itime 236681 - itsplit 1 - acceleration/energy drift too large 7.84813508317189 - 13.7364196908907 split increased to 2 itime 238841 - itsplit 1 - acceleration/energy drift too large 3.72173088568857 - 10.0288745568598 split increased to 2 itime 239826 - itsplit 1 - acceleration/energy drift too large 2.97674366773214 - 10.0852134696623 split increased to 2 itime 239997 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 6.76528137629433 + 18.9152164268437 split increased to 2 itime 400595 itsplit 1 - acceleration/energy drift too large 4.79116069816869 - 10.3506581605279 split increased to 2 itime 240795 + acceleration/energy drift too large 6.35716823717715 + 22.3062693248204 split increased to 2 itime 400699 itsplit 1 - acceleration/energy drift too large 2.39746140931716 - 12.5525285453595 split increased to 2 itime 241394 + acceleration/energy drift too large 7.84809751161058 + 21.2742956213607 split increased to 2 itime 401493 itsplit 1 - acceleration/energy drift too large 2.99578984003042 - 10.1372093350456 split increased to 2 itime 243223 + acceleration/energy drift too large 11.4558871023131 + 62.8925907237390 split increased to 2 itime 401804 itsplit 1 - acceleration/energy drift too large 3.70957795718904 - 12.5634568340846 split increased to 2 itime 243578 + acceleration/energy drift too large 7.22266505466903 + 20.7052003144113 split increased to 2 itime 401902 itsplit 1 - acceleration/energy drift too large 2.74716215430396 - 10.7801586761856 split increased to 2 itime 243582 + acceleration/energy drift too large 6.37515539426735 + 14.6428901601758 split increased to 2 itime 403244 itsplit 1 - acceleration/energy drift too large 2.69566619838395 - 10.6562632101904 split increased to 2 itime 243728 + acceleration/energy drift too large 3.16725001786478 + 11.2539011497379 split increased to 2 itime 406744 itsplit 1 - acceleration/energy drift too large 6.94461554482021 - 19.0282934488186 split increased to 2 itime 243857 + acceleration/energy drift too large 3.62993852531751 + 31.3732987741173 split increased to 2 itime 410866 itsplit 1 - acceleration/energy drift too large 2.33466204961906 - 13.1012385658164 split increased to 2 itime 247728 + acceleration/energy drift too large 5.41633694707513 + 17.8770337551578 split increased to 2 itime 411286 itsplit 1 - acceleration/energy drift too large 4.89678267637171 - 11.1757206562780 split increased to 2 itime 248581 + acceleration/energy drift too large 2.46400733597370 + 15.6735292023452 split increased to 2 itime 412255 itsplit 1 - acceleration/energy drift too large 2.52609672361426 - 11.7950521670467 split increased to 2 itime 248740 + acceleration/energy drift too large 5.53308107445780 + 17.4155467837664 split increased to 2 itime 415799 itsplit 1 - acceleration/energy drift too large 3.81746155706921 - 10.0825455058352 split increased to 2 itime 248773 + acceleration/energy drift too large 5.94983636372315 + 15.9623114605275 split increased to 2 itime 416125 itsplit 1 - acceleration/energy drift too large 3.22602244334460 - 10.3434016091458 split increased to 2 itime 248790 + acceleration/energy drift too large 8.67810320012529 + 29.0968437798901 split increased to 2 itime 417402 itsplit 1 - acceleration/energy drift too large 4.75122289638488 - 10.4690033302701 split increased to 2 itime 251001 + acceleration/energy drift too large 4.35569399050208 + 11.7334556399489 split increased to 2 itime 417622 itsplit 1 - acceleration/energy drift too large 7.19002221771642 - 25.2308661242408 split increased to 2 itime 253340 + acceleration/energy drift too large 3.30596955710362 + 10.3409002377787 split increased to 2 itime 418656 itsplit 1 - acceleration/energy drift too large 14.2644452055482 - 83.8305762869053 split increased to 2 itime 253674 + acceleration/energy drift too large 4.93867457636622 + 10.6515985115818 split increased to 2 itime 419477 itsplit 1 - acceleration/energy drift too large 6.93068677004978 - 19.3283734918150 split increased to 2 itime 254407 + acceleration/energy drift too large 3.91663018910074 + 23.3003716403585 split increased to 2 itime 420627 itsplit 1 - acceleration/energy drift too large 4.68031788236559 - 33.8066599296478 split increased to 2 itime 255303 + acceleration/energy drift too large 7.96978572029989 + 28.4042731793131 split increased to 2 itime 424491 itsplit 1 - acceleration/energy drift too large 3.32666128350239 - 10.1376158087806 split increased to 2 itime 256715 + acceleration/energy drift too large 4.48312086924299 + 10.8838591539524 split increased to 2 itime 424548 itsplit 1 - acceleration/energy drift too large 2.35990650928025 - 11.3527984661760 split increased to 2 itime 256721 + acceleration/energy drift too large 5.20276394284693 + 15.5571360489642 split increased to 2 itime 428294 itsplit 1 - acceleration/energy drift too large 3.04551211351344 - 11.8607404337425 split increased to 2 itime 256727 + acceleration/energy drift too large 11.9895150656543 + 68.2021702707443 split increased to 2 itime 429107 itsplit 1 - acceleration/energy drift too large 2.34769473722132 - 11.6499703311197 split increased to 2 itime 256752 + acceleration/energy drift too large 3.54220051490668 + 10.4024163466329 split increased to 2 itime 429115 itsplit 1 - acceleration/energy drift too large 3.46148145932330 - 13.7005510141530 split increased to 2 itime 256831 + acceleration/energy drift too large 2.69599872727365 + 10.7305518426037 split increased to 2 itime 429134 itsplit 1 - acceleration/energy drift too large 5.08742274687310 - 18.8311955858841 split increased to 2 itime 258587 + acceleration/energy drift too large 1.54786601754391 + 10.9032473998093 split increased to 2 itime 431099 itsplit 1 - acceleration/energy drift too large 2.08210631792926 - 23.3584004109475 split increased to 2 itime 259827 + acceleration/energy drift too large 7.63630639282310 + 13.8009359657687 split increased to 2 itime 436405 itsplit 1 - acceleration/energy drift too large 5.84736172998568 - 13.5309101098192 split increased to 2 itime 260117 + acceleration/energy drift too large 2.51122897290491 + 11.8305425090823 split increased to 2 itime 440551 itsplit 1 - acceleration/energy drift too large 2.85551414422957 - 10.2861691717684 split increased to 2 itime 260147 + acceleration/energy drift too large 2.72166804342636 + 11.2495723220724 split increased to 2 itime 440605 itsplit 1 - acceleration/energy drift too large 9.07872636125521 - 25.6458286409979 split increased to 2 itime 261590 + acceleration/energy drift too large 8.58877959848657 + 33.3066132338974 split increased to 2 itime 440685 itsplit 1 - acceleration/energy drift too large 2.52163600297276 - 10.0077850095993 split increased to 2 itime 263202 + acceleration/energy drift too large 6.33750986692049 + 19.1689970666315 split increased to 2 itime 440738 itsplit 1 - acceleration/energy drift too large 3.75830429583806 - 13.6407900350918 split increased to 2 itime 263392 + acceleration/energy drift too large 2.79915952607211 + 19.5073471065654 split increased to 2 itime 442200 itsplit 1 - acceleration/energy drift too large 7.47240435392542 - 10.2994807853829 split increased to 2 itime 264821 + acceleration/energy drift too large 3.69702427548960 + 14.8047535374368 split increased to 2 itime 442201 itsplit 1 - acceleration/energy drift too large 6.72974086319598 - 20.5467747352220 split increased to 2 itime 266851 + acceleration/energy drift too large 2.67479726465997 + 10.7673797010477 split increased to 2 itime 442302 itsplit 1 - acceleration/energy drift too large 6.33109739432703 - 11.1277579388885 split increased to 2 itime 267953 + acceleration/energy drift too large 1.76317474317928 + 11.1030106400444 split increased to 2 itime 443059 itsplit 1 - acceleration/energy drift too large 7.74249308287352 - 15.4451802421059 split increased to 2 itime 269382 + acceleration/energy drift too large 3.96725090425869 + 33.2671258782010 split increased to 2 itime 443223 itsplit 1 - acceleration/energy drift too large 3.26085144452324 - 19.8829597027635 split increased to 2 itime 269724 + acceleration/energy drift too large 1.99657748054833 + 10.9742134976835 split increased to 2 itime 446835 itsplit 1 - acceleration/energy drift too large 7.44341031517833 - 24.3602227128263 split increased to 2 itime 270061 + acceleration/energy drift too large 4.92437873951666 + 12.3199097274015 split increased to 2 itime 447236 itsplit 1 - acceleration/energy drift too large 3.05158402089613 - 13.5993355802174 split increased to 2 itime 270850 + acceleration/energy drift too large 7.81784117413882 + 27.1356400374625 split increased to 2 itime 447913 itsplit 1 - acceleration/energy drift too large 2.98732248260920 - 16.8440624501986 split increased to 2 itime 271045 + acceleration/energy drift too large 2.66934366627334 + 10.4915529948296 split increased to 2 itime 448803 itsplit 1 - acceleration/energy drift too large 4.32081167141284 - 15.0154568734885 split increased to 2 itime 272587 + acceleration/energy drift too large 8.07905592534353 + 37.3855141278889 split increased to 2 itime 450743 itsplit 1 - acceleration/energy drift too large 5.74989417960435 - 10.1905676077124 split increased to 2 itime 274859 + acceleration/energy drift too large 5.23840632032607 + 12.3565337729949 split increased to 2 itime 455141 itsplit 1 - acceleration/energy drift too large 8.01190769181519 - 22.7771596009531 split increased to 2 itime 274965 + acceleration/energy drift too large 1.52507795198408 + 17.2799920842790 split increased to 2 itime 456808 itsplit 1 - acceleration/energy drift too large 2.68877714999904 - 11.1080027982933 split increased to 2 itime 275760 + acceleration/energy drift too large 12.7657768637565 + 64.7909622775309 split increased to 2 itime 457747 itsplit 1 - acceleration/energy drift too large 6.70047400708177 - 17.4989921441125 split increased to 2 itime 276551 + acceleration/energy drift too large 3.33487566661482 + 10.1332690372463 split increased to 2 itime 458191 itsplit 1 - acceleration/energy drift too large 3.39583452499536 - 10.4766186602689 split increased to 2 itime 278605 + acceleration/energy drift too large 5.51042171311435 + 16.6632476738072 split increased to 2 itime 459182 itsplit 1 - acceleration/energy drift too large 6.15274694577373 - 13.9616047769407 split increased to 2 itime 281276 + acceleration/energy drift too large 7.48058882220526 + 25.5950893777778 split increased to 2 itime 459619 itsplit 1 - acceleration/energy drift too large 3.77220988221387 - 10.1207936353235 split increased to 2 itime 281333 + acceleration/energy drift too large 6.12341381013875 + 19.0354985676417 split increased to 2 itime 462589 itsplit 1 - acceleration/energy drift too large 3.72515711247252 - 21.3963161788618 split increased to 2 itime 285190 + acceleration/energy drift too large 3.33172805964860 + 19.0486627654567 split increased to 2 itime 462613 itsplit 1 - acceleration/energy drift too large 2.76732688192741 - 14.0155852993406 split increased to 2 itime 285916 + acceleration/energy drift too large 5.92891045235391 + 17.5473584248474 split increased to 2 itime 463149 itsplit 1 - acceleration/energy drift too large 3.10854412414550 - 17.9499881033381 split increased to 2 itime 287587 + acceleration/energy drift too large 3.40840410584659 + 10.2156551066010 split increased to 2 itime 463285 itsplit 1 - acceleration/energy drift too large 5.44723869467757 - 14.5927186999415 split increased to 2 itime 288260 + acceleration/energy drift too large 9.30094460396799 + 39.0892939049737 split increased to 2 itime 463541 itsplit 1 - acceleration/energy drift too large 4.07973710274437 - 18.6148085114565 split increased to 2 itime 289368 + acceleration/energy drift too large 4.65707318395544 + 11.2117054420582 split increased to 2 itime 464281 itsplit 1 - acceleration/energy drift too large 4.75859623701097 - 14.5071857149292 split increased to 2 itime 289771 + acceleration/energy drift too large 2.20965772608548 + 10.2683540118625 split increased to 2 itime 466139 itsplit 1 - acceleration/energy drift too large 7.43072579421323 - 20.8459467421900 split increased to 2 itime 290470 + acceleration/energy drift too large 4.17932083821145 + 10.4065741232833 split increased to 2 itime 476085 itsplit 1 - acceleration/energy drift too large 3.51077662847037 - 17.8444188275560 split increased to 2 itime 290923 + acceleration/energy drift too large 7.84940588562164 + 30.5183689193394 split increased to 2 itime 476144 itsplit 1 - acceleration/energy drift too large 6.50301392227160 - 21.4424137909116 split increased to 2 itime 291334 + acceleration/energy drift too large 8.11452023297231 + 31.9023003444632 split increased to 2 itime 480400 itsplit 1 - acceleration/energy drift too large 8.60888727483096 - 24.8162020154146 split increased to 2 itime 292551 + acceleration/energy drift too large 4.59919596486169 + 11.4657765327672 split increased to 2 itime 481016 itsplit 1 - acceleration/energy drift too large 6.23015689004005 - 14.1763395970671 split increased to 2 itime 292925 + acceleration/energy drift too large 6.69913238415660 + 24.5262799740877 split increased to 2 itime 482369 itsplit 1 - acceleration/energy drift too large 5.88224444348728 - 21.2672583049517 split increased to 2 itime 292950 + acceleration/energy drift too large 2.80257553068563 + 13.3756754786089 split increased to 2 itime 482422 itsplit 1 - acceleration/energy drift too large 7.18541453411736 - 15.1637101315137 split increased to 2 itime 293068 + acceleration/energy drift too large 8.34424220263782 + 34.0555270237589 split increased to 2 itime 482496 itsplit 1 - acceleration/energy drift too large 7.14220860539275 - 11.3850330908799 split increased to 2 itime 293930 + acceleration/energy drift too large 9.89802922063932 + 46.7905628492208 split increased to 2 itime 482786 itsplit 1 - acceleration/energy drift too large 5.17523349760034 - 10.2508772242342 split increased to 2 itime 294574 + acceleration/energy drift too large 14.7486480514098 + 82.2416743122557 split increased to 2 itime 485237 itsplit 1 - acceleration/energy drift too large 2.43468708850473 - 10.6502099308486 split increased to 2 itime 294908 + acceleration/energy drift too large 10.9918933227943 + 48.2171417205249 split increased to 2 itime 488387 itsplit 1 - acceleration/energy drift too large 12.6098036474486 - 50.2150869881662 split increased to 2 itime 296007 + acceleration/energy drift too large 13.5248934694627 + 84.6187689370187 split increased to 2 itime 491024 itsplit 1 - acceleration/energy drift too large 7.66356908024649 - 17.2355144286539 split increased to 2 itime 296510 + acceleration/energy drift too large 5.12004566117031 + 12.5006640685325 split increased to 2 itime 491217 itsplit 1 - acceleration/energy drift too large 7.09691106262257 - 39.5267653777838 split increased to 2 itime 296717 + acceleration/energy drift too large 4.62378699181046 + 15.7359452150762 split increased to 2 itime 494842 itsplit 1 - acceleration/energy drift too large 12.9753089542320 - 77.1940385255314 split increased to 2 itime 296933 + acceleration/energy drift too large 1.94131773374966 + 10.6642856388911 split increased to 2 itime 495263 itsplit 1 - acceleration/energy drift too large 3.54929128372393 - 10.6260956323245 split increased to 2 itime 298080 + acceleration/energy drift too large 4.53882651100607 + 11.0913514520934 split increased to 2 itime 496963 itsplit 1 - acceleration/energy drift too large 5.13575487432130 - 11.5247428414137 split increased to 2 itime 299952 + acceleration/energy drift too large 7.46393772452495 + 22.0642266192114 split increased to 2 itime 497257 itsplit 1 - REMD synchro at 300000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 139.070312500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 197.445312500000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.66667 3 -ACC 2 260.00000 0.33333 3 -ACC 3 270.00000 1.00000 3 -ACC 4 280.00000 1.00000 3 -ACC 5 290.00000 0.33333 3 -ACC 6 300.00000 0.33333 3 -ACC 7 310.00000 0.66667 3 -ACC 8 320.00000 0.66667 3 -ACC 9 330.00000 1.00000 3 -ACC 10 340.00000 0.33333 3 -ACC 11 350.00000 1.00000 3 -ACC 12 360.00000 1.00000 3 -ACC 13 370.00000 0.66667 3 -ACC 14 380.00000 1.00000 3 -ACC 15 390.00000 1.00000 3 +ACC 1 250.00000 0.00000 5 +ACC 2 260.00000 1.00000 5 +ACC 3 270.00000 0.40000 5 +ACC 4 280.00000 0.40000 5 +ACC 5 290.00000 0.60000 5 +ACC 6 300.00000 1.00000 5 +ACC 7 310.00000 0.40000 5 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 3.21515642220488 - 14.0061610816825 split increased to 2 itime 301588 - itsplit 1 - acceleration/energy drift too large 6.19518846532381 - 19.4521813355463 split increased to 2 itime 302479 - itsplit 1 - acceleration/energy drift too large 6.73177720813106 - 19.3497080005014 split increased to 2 itime 302876 - itsplit 1 - acceleration/energy drift too large 5.24358200070803 - 11.6108096099685 split increased to 2 itime 305807 - itsplit 1 - acceleration/energy drift too large 2.12523375666162 - 10.0008213853066 split increased to 2 itime 305972 - itsplit 1 - acceleration/energy drift too large 9.17310070909078 - 44.1653463534844 split increased to 2 itime 306062 - itsplit 1 - acceleration/energy drift too large 4.90142271341008 - 14.9592239738763 split increased to 2 itime 307305 - itsplit 1 - acceleration/energy drift too large 3.94683976083943 - 11.3269842138774 split increased to 2 itime 310076 - itsplit 1 - acceleration/energy drift too large 6.84921798725369 - 31.7232662426812 split increased to 2 itime 310449 - itsplit 1 - acceleration/energy drift too large 7.35818048038916 - 12.2988871902855 split increased to 2 itime 311713 + acceleration/energy drift too large 7.50900403416654 + 27.5446702958400 split increased to 2 itime 501014 itsplit 1 - acceleration/energy drift too large 2.39708353443099 - 15.6602843656643 split increased to 2 itime 315150 + acceleration/energy drift too large 4.17725480895850 + 16.5702840974671 split increased to 2 itime 502332 itsplit 1 - acceleration/energy drift too large 3.14171760766290 - 25.1260543037525 split increased to 2 itime 315151 + acceleration/energy drift too large 6.07618123970452 + 16.2153805601781 split increased to 2 itime 508590 itsplit 1 - acceleration/energy drift too large 4.37497773845037 - 12.9444234196682 split increased to 2 itime 316430 + acceleration/energy drift too large 5.70606727506766 + 20.5520815829891 split increased to 2 itime 509010 itsplit 1 - acceleration/energy drift too large 6.03864702561651 - 27.2480406339519 split increased to 2 itime 316505 + acceleration/energy drift too large 6.72570158634208 + 16.4640984868293 split increased to 2 itime 509786 itsplit 1 - acceleration/energy drift too large 2.89734350744965 - 12.6388544744710 split increased to 2 itime 319736 + acceleration/energy drift too large 4.53506047192253 + 13.0484215372048 split increased to 2 itime 510538 itsplit 1 - acceleration/energy drift too large 3.03664091876781 - 14.3760854364302 split increased to 2 itime 319752 + acceleration/energy drift too large 1.87811346239179 + 10.3978009288242 split increased to 2 itime 511753 itsplit 1 - acceleration/energy drift too large 5.17187667339472 - 10.3231788496721 split increased to 2 itime 319754 + acceleration/energy drift too large 5.19686138921645 + 14.4934502883267 split increased to 2 itime 512188 itsplit 1 - acceleration/energy drift too large 2.87878515918077 - 23.4499104524497 split increased to 2 itime 319755 + acceleration/energy drift too large 8.60220207215693 + 32.4842881295725 split increased to 2 itime 514390 itsplit 1 - acceleration/energy drift too large 3.97490106903046 - 11.9158285181266 split increased to 2 itime 319757 + acceleration/energy drift too large 5.83605475997747 + 18.7719989795466 split increased to 2 itime 514516 itsplit 1 - acceleration/energy drift too large 4.94631520644623 - 14.8217757591010 split increased to 2 itime 321012 + acceleration/energy drift too large 2.05216156218067 + 13.1325218209728 split increased to 2 itime 515487 itsplit 1 - acceleration/energy drift too large 6.13012117981803 - 28.3960006099146 split increased to 2 itime 321323 + acceleration/energy drift too large 4.83151104409780 + 15.6556824051344 split increased to 2 itime 517886 itsplit 1 - acceleration/energy drift too large 2.83020047735798 - 10.2555328618845 split increased to 2 itime 322483 + acceleration/energy drift too large 8.90677205774902 + 13.2991113522715 split increased to 2 itime 518470 itsplit 1 - acceleration/energy drift too large 5.48090829811770 - 14.3264512065958 split increased to 2 itime 323678 + acceleration/energy drift too large 1.55873228437365 + 12.0513858644168 split increased to 2 itime 520971 itsplit 1 - acceleration/energy drift too large 5.58365639697103 - 19.3087726550271 split increased to 2 itime 325891 + acceleration/energy drift too large 7.99757097323012 + 30.8828168917488 split increased to 2 itime 521609 itsplit 1 - acceleration/energy drift too large 3.67003776225527 - 11.2978125755724 split increased to 2 itime 326129 + acceleration/energy drift too large 3.52049942844456 + 18.8951828831860 split increased to 2 itime 522108 itsplit 1 - acceleration/energy drift too large 2.75328190949690 - 10.5542603740788 split increased to 2 itime 326145 + acceleration/energy drift too large 4.93743449703613 + 17.9454216587535 split increased to 2 itime 523546 itsplit 1 - acceleration/energy drift too large 2.35112883529983 - 10.5836230634541 split increased to 2 itime 326187 + acceleration/energy drift too large 2.79201637010132 + 24.2223230662151 split increased to 2 itime 524775 itsplit 1 - acceleration/energy drift too large 5.80809121571118 - 16.3382816219338 split increased to 2 itime 330062 + acceleration/energy drift too large 6.47990626841869 + 36.2402149933173 split increased to 2 itime 525363 itsplit 1 - acceleration/energy drift too large 5.01536206161786 - 11.3188101485724 split increased to 2 itime 330950 + acceleration/energy drift too large 4.88856873583990 + 12.3650472445267 split increased to 2 itime 527272 itsplit 1 - acceleration/energy drift too large 4.47633357145611 - 14.7790796478056 split increased to 2 itime 334226 + acceleration/energy drift too large 6.16379767003773 + 21.8070799438585 split increased to 2 itime 527301 itsplit 1 - acceleration/energy drift too large 2.82972603297758 - 12.7655654965944 split increased to 2 itime 339891 + acceleration/energy drift too large 4.97636809161150 + 11.8041846185277 split increased to 2 itime 527353 itsplit 1 - acceleration/energy drift too large 4.32420038756034 - 10.1166705906592 split increased to 2 itime 341324 + acceleration/energy drift too large 9.55099015129207 + 42.2847404202911 split increased to 2 itime 528247 itsplit 1 - acceleration/energy drift too large 4.83962322937514 - 14.2315883009596 split increased to 2 itime 342197 + acceleration/energy drift too large 3.47427601801362 + 10.1565218321010 split increased to 2 itime 529135 itsplit 1 - acceleration/energy drift too large 5.15696014276171 - 12.1364900446786 split increased to 2 itime 346488 + acceleration/energy drift too large 5.96113520468168 + 14.8429759199479 split increased to 2 itime 529457 itsplit 1 - acceleration/energy drift too large 2.87939585213392 - 11.9777633367180 split increased to 2 itime 347046 + acceleration/energy drift too large 8.13103043172691 + 28.0486466013811 split increased to 2 itime 529548 itsplit 1 - acceleration/energy drift too large 3.42264681284423 - 10.9204828464646 split increased to 2 itime 348069 + acceleration/energy drift too large 7.68241904278665 + 27.3133029302084 split increased to 2 itime 530307 itsplit 1 - acceleration/energy drift too large 6.57253370806224 - 26.3026752561855 split increased to 2 itime 349664 + acceleration/energy drift too large 3.11642780074165 + 10.5219589054614 split increased to 2 itime 530323 itsplit 1 - acceleration/energy drift too large 2.41456646066030 - 10.0746811772202 split increased to 2 itime 349686 + acceleration/energy drift too large 2.02144803008016 + 11.4790652715456 split increased to 2 itime 530325 itsplit 1 - acceleration/energy drift too large 4.80970807440621 - 10.0347974799828 split increased to 2 itime 351170 + acceleration/energy drift too large 2.29682887329730 + 14.7605803097151 split increased to 2 itime 532731 itsplit 1 - acceleration/energy drift too large 2.57759913654621 - 12.1867108953393 split increased to 2 itime 351222 + acceleration/energy drift too large 8.19520495969552 + 28.5654973088707 split increased to 2 itime 532780 itsplit 1 - acceleration/energy drift too large 6.03613192086544 - 10.9669143895079 split increased to 2 itime 351235 + acceleration/energy drift too large 4.05476930810241 + 11.3930943167692 split increased to 2 itime 534942 itsplit 1 - acceleration/energy drift too large 4.90737269119275 - 12.4319420245076 split increased to 2 itime 351238 + acceleration/energy drift too large 10.3642150714910 + 53.6221261442702 split increased to 2 itime 538600 itsplit 1 - acceleration/energy drift too large 4.36996323120392 - 17.9343004519593 split increased to 2 itime 351597 + acceleration/energy drift too large 4.78560840039094 + 10.3408445630894 split increased to 2 itime 541784 itsplit 1 - acceleration/energy drift too large 4.48778991248124 - 13.5126002911967 split increased to 2 itime 355933 + acceleration/energy drift too large 6.31930777616046 + 22.4948240815235 split increased to 2 itime 546755 itsplit 1 - acceleration/energy drift too large 3.87046362045486 - 14.8649084215261 split increased to 2 itime 356603 + acceleration/energy drift too large 7.79044231117698 + 30.4068529368244 split increased to 2 itime 548082 itsplit 1 - acceleration/energy drift too large 10.6725457043836 - 35.4720974625696 split increased to 2 itime 360160 + acceleration/energy drift too large 2.50625057638106 + 12.3065710978013 split increased to 2 itime 549302 itsplit 1 - acceleration/energy drift too large 3.94201417312254 - 17.5887550904038 split increased to 2 itime 360699 + acceleration/energy drift too large 3.29112150249386 + 10.3748523901260 split increased to 2 itime 549748 itsplit 1 - acceleration/energy drift too large 3.72648927048386 - 12.5050172142602 split increased to 2 itime 361359 + acceleration/energy drift too large 8.20055199987064 + 33.6536206544168 split increased to 2 itime 551042 itsplit 1 - acceleration/energy drift too large 2.38885628597045 - 10.3045043115043 split increased to 2 itime 363132 + acceleration/energy drift too large 4.23522658046993 + 14.7884631941625 split increased to 2 itime 556278 itsplit 1 - acceleration/energy drift too large 2.89956347876834 - 11.6183001751801 split increased to 2 itime 363135 + acceleration/energy drift too large 5.68944954689445 + 35.9193089656826 split increased to 2 itime 557135 itsplit 1 - acceleration/energy drift too large 2.86684482122523 - 10.1042907538143 split increased to 2 itime 363141 + acceleration/energy drift too large 6.21365084988955 + 17.9957887195218 split increased to 2 itime 557750 itsplit 1 - acceleration/energy drift too large 5.07210840207462 - 13.0013674367039 split increased to 2 itime 364693 + acceleration/energy drift too large 2.25582035030492 + 11.4193003567222 split increased to 2 itime 558642 itsplit 1 - acceleration/energy drift too large 5.93242141497752 - 14.7225474005101 split increased to 2 itime 365689 + acceleration/energy drift too large 13.5317692717754 + 79.0834859515207 split increased to 2 itime 560207 itsplit 1 - acceleration/energy drift too large 5.32061170506246 - 16.2561159096743 split increased to 2 itime 368104 + acceleration/energy drift too large 2.52404544420669 + 11.1503300947159 split increased to 4 itime 560207 itsplit 1 - acceleration/energy drift too large 9.96410091291693 - 41.6311971975705 split increased to 2 itime 368164 + acceleration/energy drift too large 5.69416189719272 + 12.5795838067874 split increased to 2 itime 566902 itsplit 1 - acceleration/energy drift too large 3.45127606367486 - 10.3587937722658 split increased to 2 itime 368849 + acceleration/energy drift too large 5.73126540227734 + 10.6350922275790 split increased to 2 itime 567690 itsplit 1 - acceleration/energy drift too large 5.70434711074901 - 26.3315470806861 split increased to 2 itime 369954 + acceleration/energy drift too large 2.90765212451102 + 15.5761231645314 split increased to 2 itime 567695 itsplit 1 - acceleration/energy drift too large 6.02957162300502 - 18.0516642969636 split increased to 2 itime 371657 + acceleration/energy drift too large 11.5885351457228 + 58.8666841095515 split increased to 2 itime 567900 itsplit 1 - acceleration/energy drift too large 4.66300525012313 - 13.6320137929398 split increased to 2 itime 371942 + acceleration/energy drift too large 2.12757217708945 + 13.0872110744824 split increased to 2 itime 571361 itsplit 1 - acceleration/energy drift too large 2.49238883186510 - 10.5839903426323 split increased to 2 itime 373742 + acceleration/energy drift too large 8.69640960950267 + 37.9694952926861 split increased to 2 itime 571785 itsplit 1 - acceleration/energy drift too large 6.61738836474461 - 13.8006894344397 split increased to 2 itime 375981 + acceleration/energy drift too large 5.68034348404928 + 19.8833474102247 split increased to 2 itime 574060 itsplit 1 - acceleration/energy drift too large 5.95763088013116 - 11.3955163560056 split increased to 2 itime 376242 + acceleration/energy drift too large 3.72877291300232 + 12.5902366796661 split increased to 2 itime 574597 itsplit 1 - acceleration/energy drift too large 1.96798709967086 - 10.5703233303137 split increased to 2 itime 376421 + acceleration/energy drift too large 3.57608189291435 + 13.0454019801732 split increased to 2 itime 578281 itsplit 1 - acceleration/energy drift too large 2.61657054059635 - 10.2195846874822 split increased to 2 itime 376547 + acceleration/energy drift too large 5.33415794604788 + 22.7449980891698 split increased to 2 itime 579693 itsplit 1 - acceleration/energy drift too large 2.10573255238195 - 14.2506568260552 split increased to 2 itime 376866 + acceleration/energy drift too large 3.06973229604473 + 22.3495355826886 split increased to 2 itime 581686 itsplit 1 - acceleration/energy drift too large 1.51689338462515 - 13.2305687152525 split increased to 2 itime 377873 + acceleration/energy drift too large 6.24898956712644 + 21.3035538708782 split increased to 2 itime 582487 itsplit 1 - acceleration/energy drift too large 6.69935441170210 - 32.5139275856887 split increased to 2 itime 381126 + acceleration/energy drift too large 5.19134079220393 + 10.9790768794968 split increased to 2 itime 582656 itsplit 1 - acceleration/energy drift too large 7.28101088752383 - 36.8290188558607 split increased to 2 itime 381682 + acceleration/energy drift too large 6.80197608164520 + 29.3999508366813 split increased to 2 itime 583899 itsplit 1 - acceleration/energy drift too large 1.47894968345552 - 10.5435992307675 split increased to 2 itime 382663 + acceleration/energy drift too large 3.17695027724316 + 10.5313182869027 split increased to 2 itime 585507 itsplit 1 - acceleration/energy drift too large 4.15417535087545 - 11.5744855814668 split increased to 2 itime 382669 + acceleration/energy drift too large 1.59906457598754 + 12.1399017422161 split increased to 2 itime 586237 itsplit 1 - acceleration/energy drift too large 2.32337245018191 - 12.4848326926804 split increased to 2 itime 382670 + acceleration/energy drift too large 1.72651279818246 + 12.4840963225588 split increased to 2 itime 586357 itsplit 1 - acceleration/energy drift too large 4.46969555318568 - 13.6359366106928 split increased to 2 itime 382675 + acceleration/energy drift too large 5.34385290161771 + 11.2362647432214 split increased to 2 itime 589286 itsplit 1 - acceleration/energy drift too large 4.07270284348795 - 15.2060129462891 split increased to 2 itime 382677 + acceleration/energy drift too large 8.30516435779183 + 25.9971879374983 split increased to 2 itime 589804 itsplit 1 - acceleration/energy drift too large 2.73244678765435 - 10.5194491902838 split increased to 2 itime 382678 + acceleration/energy drift too large 4.88846891091825 + 10.0939699741975 split increased to 2 itime 589999 itsplit 1 - acceleration/energy drift too large 2.62538955424017 - 12.0718705770603 split increased to 2 itime 382679 + acceleration/energy drift too large 2.58282828753721 + 10.4085396105576 split increased to 2 itime 590004 itsplit 1 - acceleration/energy drift too large 2.20962522271701 - 13.4900322408877 split increased to 2 itime 382680 + acceleration/energy drift too large 4.66440413772390 + 11.2421302629400 split increased to 2 itime 590374 itsplit 1 - acceleration/energy drift too large 2.30752798243274 - 11.1295452879310 split increased to 2 itime 382683 + acceleration/energy drift too large 17.3948840685740 + 102.625829844118 split increased to 2 itime 590925 itsplit 1 - acceleration/energy drift too large 3.04797370200512 - 18.8034981261908 split increased to 2 itime 382684 - itsplit 1 - acceleration/energy drift too large 4.05799407063745 - 10.3960877279511 split increased to 2 itime 382687 - itsplit 1 - acceleration/energy drift too large 2.45568736347852 - 10.6743815375824 split increased to 2 itime 382688 - itsplit 1 - acceleration/energy drift too large 3.00502881564515 - 11.1167642206121 split increased to 2 itime 382693 - itsplit 1 - acceleration/energy drift too large 4.45403046181535 - 13.5370354091093 split increased to 2 itime 382695 - itsplit 1 - acceleration/energy drift too large 3.14731396235418 - 13.8290431674902 split increased to 2 itime 382696 - itsplit 1 - acceleration/energy drift too large 3.98921617707315 - 11.2147469522658 split increased to 2 itime 382699 - itsplit 1 - acceleration/energy drift too large 2.61896527575490 - 13.8509504248820 split increased to 2 itime 382700 - itsplit 1 - acceleration/energy drift too large 1.80259983781124 - 11.6235338424880 split increased to 2 itime 382703 - itsplit 1 - acceleration/energy drift too large 3.45240476623285 - 28.1173642487581 split increased to 2 itime 382704 - itsplit 1 - acceleration/energy drift too large 2.92499531337828 - 15.6886297605196 split increased to 2 itime 382706 - itsplit 1 - acceleration/energy drift too large 3.14688636875288 - 10.5810606950739 split increased to 2 itime 382743 - itsplit 1 - acceleration/energy drift too large 5.38187900487252 - 15.6119570943446 split increased to 2 itime 383181 - itsplit 1 - acceleration/energy drift too large 3.40560218819624 - 11.1989799015270 split increased to 2 itime 383205 - itsplit 1 - acceleration/energy drift too large 15.0300595531574 - 72.6828183843637 split increased to 2 itime 383258 - itsplit 1 - acceleration/energy drift too large 3.50681192932536 - 18.1719163013972 split increased to 4 itime 383258 + acceleration/energy drift too large 3.71413260669478 + 20.6170389786129 split increased to 4 itime 590925 itsplit 2 - acceleration/energy drift too large 4.42597474910102 - 10.3873239199870 split increased to 2 itime 383398 - itsplit 1 - acceleration/energy drift too large 2.82839492484402 - 10.3041085482147 split increased to 2 itime 383399 + acceleration/energy drift too large 5.51494013469141 + 16.0336040785288 split increased to 2 itime 592224 itsplit 1 - acceleration/energy drift too large 2.31065591028526 - 14.0961243406389 split increased to 2 itime 384826 + acceleration/energy drift too large 4.45216777613609 + 10.0183789134888 split increased to 2 itime 592225 itsplit 1 - acceleration/energy drift too large 4.32376079289063 - 14.2760729455425 split increased to 2 itime 387578 + acceleration/energy drift too large 3.10040440846196 + 10.3541903991900 split increased to 2 itime 592563 itsplit 1 - acceleration/energy drift too large 6.22224590320130 - 23.2622033217460 split increased to 2 itime 389515 + acceleration/energy drift too large 5.36627123022187 + 10.2780892272313 split increased to 2 itime 595104 itsplit 1 - acceleration/energy drift too large 4.11868393786114 - 13.1989751234863 split increased to 2 itime 389536 + acceleration/energy drift too large 2.44173381520636 + 13.8192908210974 split increased to 2 itime 595446 itsplit 1 - acceleration/energy drift too large 2.38609605549212 - 13.4442311340799 split increased to 2 itime 391173 + acceleration/energy drift too large 9.69263911904402 + 44.3222562049126 split increased to 2 itime 597435 itsplit 1 - acceleration/energy drift too large 4.87185971377541 - 13.2555572989754 split increased to 2 itime 393717 + acceleration/energy drift too large 12.0335115752171 + 57.6104710240538 split increased to 2 itime 598577 itsplit 1 - acceleration/energy drift too large 2.84827685267221 - 11.7992910888368 split increased to 2 itime 395735 - itsplit 1 - acceleration/energy drift too large 3.06688128461116 - 18.2177494315470 split increased to 2 itime 396129 - itsplit 1 - acceleration/energy drift too large 4.94959495163784 - 21.9428922034808 split increased to 2 itime 396665 - itsplit 1 - acceleration/energy drift too large 6.00282177724514 - 15.2674391807296 split increased to 2 itime 398049 - itsplit 1 - acceleration/energy drift too large 6.14389501012137 - 25.8228966295308 split increased to 2 itime 398140 - itsplit 1 - acceleration/energy drift too large 3.87032505194854 - 10.0387349716506 split increased to 2 itime 398418 - itsplit 1 - acceleration/energy drift too large 2.70013772758495 - 12.5987823780450 split increased to 2 itime 399311 + acceleration/energy drift too large 2.79641289552280 + 13.4043077783830 split increased to 4 itime 598577 + itsplit 2 + acceleration/energy drift too large 2.22726855821489 + 10.1267312261811 split increased to 2 itime 599309 itsplit 1 - REMD synchro at 400000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + REMD synchro at 600000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 184.914062500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 237.109375000000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.50000 4 -ACC 2 260.00000 0.25000 4 -ACC 3 270.00000 1.00000 4 -ACC 4 280.00000 0.75000 4 -ACC 5 290.00000 0.50000 4 -ACC 6 300.00000 0.50000 4 -ACC 7 310.00000 0.50000 4 -ACC 8 320.00000 0.50000 4 -ACC 9 330.00000 1.00000 4 -ACC 10 340.00000 0.25000 4 -ACC 11 350.00000 1.00000 4 -ACC 12 360.00000 1.00000 4 -ACC 13 370.00000 0.75000 4 -ACC 14 380.00000 1.00000 4 -ACC 15 390.00000 0.75000 4 +ACC 1 250.00000 0.16667 6 +ACC 2 260.00000 1.00000 6 +ACC 3 270.00000 0.33333 6 +ACC 4 280.00000 0.50000 6 +ACC 5 290.00000 0.66667 6 +ACC 6 300.00000 1.00000 6 +ACC 7 310.00000 0.50000 6 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 5.85520537392789 - 11.1914277030609 split increased to 2 itime 401084 - itsplit 1 - acceleration/energy drift too large 5.47528736735100 - 39.9006581618372 split increased to 2 itime 401233 - itsplit 1 - acceleration/energy drift too large 6.24649165066902 - 26.3496783631124 split increased to 2 itime 401287 + acceleration/energy drift too large 5.58546343444704 + 15.0548641884903 split increased to 2 itime 601878 itsplit 1 - acceleration/energy drift too large 5.03548107969719 - 27.8360541468611 split increased to 2 itime 401288 + acceleration/energy drift too large 5.52809146262567 + 17.4916928437900 split increased to 2 itime 602411 itsplit 1 - acceleration/energy drift too large 4.55219546603872 - 18.7432090374252 split increased to 2 itime 401553 + acceleration/energy drift too large 5.27520661432915 + 28.4260245745983 split increased to 2 itime 604903 itsplit 1 - acceleration/energy drift too large 3.79570344607287 - 16.7536089092949 split increased to 2 itime 402000 + acceleration/energy drift too large 10.7091604673618 + 48.6458205610094 split increased to 2 itime 605354 itsplit 1 - acceleration/energy drift too large 19.9538723098051 - 136.778879083221 split increased to 2 itime 402813 + acceleration/energy drift too large 13.3983519341439 + 68.9624238506460 split increased to 2 itime 605983 itsplit 1 - acceleration/energy drift too large 11.9273881298698 - 68.8112888160456 split increased to 2 itime 403052 - itsplit 1 - acceleration/energy drift too large 5.64835318644978 - 15.6124278053436 split increased to 2 itime 403166 - itsplit 1 - acceleration/energy drift too large 4.90839944700627 - 25.4769502323614 split increased to 2 itime 403544 - itsplit 1 - acceleration/energy drift too large 6.37483150377316 - 25.2365959619238 split increased to 2 itime 403869 - itsplit 1 - acceleration/energy drift too large 11.5227019908042 - 55.4968938038695 split increased to 2 itime 405255 - itsplit 1 - acceleration/energy drift too large 3.02220635939265 - 14.2158428337146 split increased to 2 itime 405801 - itsplit 1 - acceleration/energy drift too large 5.47772949901818 - 26.0468157683956 split increased to 2 itime 406650 - itsplit 1 - acceleration/energy drift too large 4.88367454625760 - 24.9833620350021 split increased to 2 itime 408576 - itsplit 1 - acceleration/energy drift too large 2.96324011873706 - 15.6625400097054 split increased to 2 itime 409020 - itsplit 1 - acceleration/energy drift too large 12.0546227442799 - 53.2811483112195 split increased to 2 itime 410659 - itsplit 1 - acceleration/energy drift too large 4.83647582607957 - 11.2679320782354 split increased to 2 itime 413242 - itsplit 1 - acceleration/energy drift too large 5.42412142214840 - 25.6003831424766 split increased to 2 itime 413823 - itsplit 1 - acceleration/energy drift too large 4.12084032632098 - 22.1955863811513 split increased to 2 itime 413826 - itsplit 1 - acceleration/energy drift too large 4.35494142265173 - 16.2509414984561 split increased to 2 itime 417039 - itsplit 1 - acceleration/energy drift too large 3.01559189654776 - 13.6322158034792 split increased to 2 itime 417578 - itsplit 1 - acceleration/energy drift too large 3.02249475457727 - 13.0137770781576 split increased to 2 itime 417598 - itsplit 1 - acceleration/energy drift too large 5.99913042454337 - 11.6864538119046 split increased to 2 itime 418902 - itsplit 1 - acceleration/energy drift too large 8.01148815591671 - 20.2788100622780 split increased to 2 itime 420993 - itsplit 1 - acceleration/energy drift too large 4.91828907585418 - 15.8151143999596 split increased to 2 itime 421330 - itsplit 1 - acceleration/energy drift too large 2.85665406457499 - 15.3684988491513 split increased to 2 itime 422274 - itsplit 1 - acceleration/energy drift too large 2.99880757950521 - 20.7329257606512 split increased to 2 itime 423159 - itsplit 1 - acceleration/energy drift too large 6.37421859212173 - 11.6086908359721 split increased to 2 itime 425490 - itsplit 1 - acceleration/energy drift too large 5.02234296771294 - 23.7231399436101 split increased to 2 itime 425502 - itsplit 1 - acceleration/energy drift too large 5.12132303074461 - 28.7307413438979 split increased to 2 itime 426011 - itsplit 1 - acceleration/energy drift too large 4.28953906808678 - 15.5810539210091 split increased to 2 itime 426986 - itsplit 1 - acceleration/energy drift too large 5.34990711553365 - 21.1831012560758 split increased to 2 itime 427636 - itsplit 1 - acceleration/energy drift too large 2.95240172024907 - 10.2312076087409 split increased to 2 itime 427912 - itsplit 1 - acceleration/energy drift too large 11.3395487901503 - 59.2552800860074 split increased to 2 itime 428078 - itsplit 1 - acceleration/energy drift too large 3.35487217515315 - 10.9826658480654 split increased to 2 itime 429206 - itsplit 1 - acceleration/energy drift too large 4.17974198030410 - 14.0497328569360 split increased to 2 itime 431060 - itsplit 1 - acceleration/energy drift too large 2.40069357778661 - 18.3301511781616 split increased to 2 itime 431061 + acceleration/energy drift too large 3.16205608757604 + 15.4900686421038 split increased to 4 itime 605983 + itsplit 2 + acceleration/energy drift too large 2.66091884482526 + 13.3206883662034 split increased to 2 itime 606006 itsplit 1 - acceleration/energy drift too large 2.60319023263794 - 13.4381568243776 split increased to 2 itime 431895 + acceleration/energy drift too large 6.08358463547764 + 27.1217834383387 split increased to 2 itime 609632 itsplit 1 - acceleration/energy drift too large 7.68853048176571 - 21.0400435076881 split increased to 2 itime 432669 + acceleration/energy drift too large 6.25250056843083 + 11.4491403874430 split increased to 2 itime 609684 itsplit 1 - acceleration/energy drift too large 3.74997833756420 - 11.0986666311506 split increased to 2 itime 432689 + acceleration/energy drift too large 4.83622938333850 + 13.0407062469096 split increased to 2 itime 610728 itsplit 1 - acceleration/energy drift too large 4.48348175777877 - 14.3333209238640 split increased to 2 itime 433554 + acceleration/energy drift too large 2.95605734475806 + 11.9787969223421 split increased to 2 itime 611550 itsplit 1 - acceleration/energy drift too large 3.20734873633366 - 10.8983630472182 split increased to 2 itime 434040 + acceleration/energy drift too large 13.4930954611733 + 73.9062338473796 split increased to 2 itime 614180 itsplit 1 - acceleration/energy drift too large 3.04670744550587 - 16.9233242865536 split increased to 2 itime 434130 + acceleration/energy drift too large 2.91153716177087 + 15.8821454416596 split increased to 4 itime 614180 + itsplit 2 + acceleration/energy drift too large 4.06572241737329 + 11.8108467775741 split increased to 2 itime 615925 itsplit 1 - acceleration/energy drift too large 4.64423433484755 - 27.4863813192025 split increased to 2 itime 434237 + acceleration/energy drift too large 2.62647171683830 + 13.0013702410149 split increased to 2 itime 616220 itsplit 1 - acceleration/energy drift too large 2.90179637195793 - 11.3017399816840 split increased to 2 itime 434284 + acceleration/energy drift too large 4.05099726855354 + 11.3958267635391 split increased to 2 itime 616626 itsplit 1 - acceleration/energy drift too large 5.73018814341032 - 31.7301902903985 split increased to 2 itime 434464 + acceleration/energy drift too large 4.16491863219391 + 10.6155862426420 split increased to 2 itime 618680 itsplit 1 - acceleration/energy drift too large 4.09504432219197 - 16.4862347990116 split increased to 2 itime 434572 + acceleration/energy drift too large 2.41942223273229 + 10.9988570424266 split increased to 2 itime 622690 itsplit 1 - acceleration/energy drift too large 4.80145640307585 - 22.0339340632197 split increased to 2 itime 435182 + acceleration/energy drift too large 6.27090818302612 + 17.8341402870532 split increased to 2 itime 623203 itsplit 1 - acceleration/energy drift too large 4.13076452198420 - 21.5117104689005 split increased to 2 itime 435690 + acceleration/energy drift too large 3.30319687192904 + 10.6416920545302 split increased to 2 itime 623301 itsplit 1 - acceleration/energy drift too large 1.73775289702704 - 11.4840716332054 split increased to 2 itime 437247 + acceleration/energy drift too large 4.41300470265790 + 11.7638616535732 split increased to 2 itime 627403 itsplit 1 - acceleration/energy drift too large 5.48999206942759 - 34.9135705829164 split increased to 2 itime 437751 + acceleration/energy drift too large 3.09923768567914 + 10.7253101609193 split increased to 2 itime 631853 itsplit 1 - acceleration/energy drift too large 3.72428381800589 - 17.2985388005026 split increased to 2 itime 437822 + acceleration/energy drift too large 5.62796992462099 + 10.3503562492554 split increased to 2 itime 632864 itsplit 1 - acceleration/energy drift too large 3.27342280752035 - 26.4686091349157 split increased to 2 itime 438342 + acceleration/energy drift too large 2.96135814596404 + 10.1756354165387 split increased to 2 itime 635363 itsplit 1 - acceleration/energy drift too large 7.79189491903860 - 29.4669775516769 split increased to 2 itime 438575 + acceleration/energy drift too large 2.80933381483433 + 10.3437431241457 split increased to 2 itime 635467 itsplit 1 - acceleration/energy drift too large 5.16801698086677 - 31.8882621646102 split increased to 2 itime 439244 + acceleration/energy drift too large 3.23269975789914 + 10.4154201891087 split increased to 2 itime 635502 itsplit 1 - acceleration/energy drift too large 9.18408479538560 - 43.1997932594915 split increased to 2 itime 439449 + acceleration/energy drift too large 10.4255130609354 + 47.4938112377871 split increased to 2 itime 638911 itsplit 1 - acceleration/energy drift too large 4.09970844346303 - 13.2471520322388 split increased to 2 itime 439451 + acceleration/energy drift too large 5.87198866748517 + 18.7968098752258 split increased to 2 itime 640260 itsplit 1 - acceleration/energy drift too large 4.78958898635655 - 23.9868019719558 split increased to 2 itime 440687 + acceleration/energy drift too large 1.90355444256178 + 10.0243694970490 split increased to 2 itime 643660 itsplit 1 - acceleration/energy drift too large 3.83961939949008 - 17.9522818425926 split increased to 2 itime 440953 + acceleration/energy drift too large 6.00662908239308 + 18.5934523705130 split increased to 2 itime 646880 itsplit 1 - acceleration/energy drift too large 3.59295343388282 - 14.8007912762092 split increased to 2 itime 442747 + acceleration/energy drift too large 7.49660344390383 + 20.5238748314072 split increased to 2 itime 647821 itsplit 1 - acceleration/energy drift too large 3.27154019479899 - 20.2807578406019 split increased to 2 itime 442977 + acceleration/energy drift too large 2.73347226218210 + 10.6018274332205 split increased to 2 itime 651091 itsplit 1 - acceleration/energy drift too large 5.31929647508473 - 16.3257038680913 split increased to 2 itime 444172 + acceleration/energy drift too large 4.95846274240792 + 17.4485778837620 split increased to 2 itime 651610 itsplit 1 - acceleration/energy drift too large 5.05091822853998 - 10.2937212369324 split increased to 2 itime 445847 + acceleration/energy drift too large 4.45714053539027 + 13.3830812958228 split increased to 2 itime 651859 itsplit 1 - acceleration/energy drift too large 6.81897530390985 - 19.0702254260379 split increased to 2 itime 447267 + acceleration/energy drift too large 5.22466369019300 + 13.5535213352147 split increased to 2 itime 651860 itsplit 1 - acceleration/energy drift too large 8.84860238142054 - 30.3071608394985 split increased to 2 itime 447472 + acceleration/energy drift too large 3.83020050998954 + 12.3136388280477 split increased to 2 itime 654074 itsplit 1 - acceleration/energy drift too large 4.60804289581258 - 11.3648340782750 split increased to 2 itime 447524 + acceleration/energy drift too large 8.19583179155746 + 26.5283706841122 split increased to 2 itime 656670 itsplit 1 - acceleration/energy drift too large 4.51462168534791 - 18.7633552544577 split increased to 2 itime 449284 + acceleration/energy drift too large 5.52015940770695 + 30.6647644951820 split increased to 2 itime 656826 itsplit 1 - acceleration/energy drift too large 6.50539329350082 - 14.3662250443147 split increased to 2 itime 451754 + acceleration/energy drift too large 6.15072083966337 + 16.7381585501766 split increased to 2 itime 657528 itsplit 1 - acceleration/energy drift too large 5.99102483501965 - 14.8406043192281 split increased to 2 itime 453255 + acceleration/energy drift too large 3.35944508135426 + 13.3468361226162 split increased to 2 itime 657566 itsplit 1 - acceleration/energy drift too large 2.34283276344341 - 10.8449788881703 split increased to 2 itime 454881 + acceleration/energy drift too large 3.92379124958539 + 23.8904289152300 split increased to 2 itime 660743 itsplit 1 - acceleration/energy drift too large 2.88862527983168 - 10.6158020828451 split increased to 2 itime 456046 + acceleration/energy drift too large 6.27215536868314 + 19.7485597493940 split increased to 2 itime 660953 itsplit 1 - acceleration/energy drift too large 3.45224943509093 - 27.3806423741949 split increased to 2 itime 460953 + acceleration/energy drift too large 5.58874584037967 + 21.3180473977209 split increased to 2 itime 662305 itsplit 1 - acceleration/energy drift too large 9.78608930179663 - 65.6222759930618 split increased to 2 itime 461725 + acceleration/energy drift too large 2.47105745086375 + 10.8315379730362 split increased to 2 itime 664015 itsplit 1 - acceleration/energy drift too large 2.61505775112932 - 10.3176720714059 split increased to 2 itime 462973 + acceleration/energy drift too large 4.14784651207851 + 12.6777020756079 split increased to 2 itime 664447 itsplit 1 - acceleration/energy drift too large 3.23564212626803 - 11.5624323967677 split increased to 2 itime 463795 + acceleration/energy drift too large 6.61942475059945 + 22.7582893899522 split increased to 2 itime 666018 itsplit 1 - acceleration/energy drift too large 5.85576824463566 - 36.5527882995749 split increased to 2 itime 464010 + acceleration/energy drift too large 6.05590419311435 + 16.7644675771342 split increased to 2 itime 666084 itsplit 1 - acceleration/energy drift too large 9.92886712895449 - 39.4818005433922 split increased to 2 itime 464763 + acceleration/energy drift too large 4.71957983398420 + 10.5101148846043 split increased to 2 itime 671495 itsplit 1 - acceleration/energy drift too large 2.31155506361289 - 12.3737241897432 split increased to 2 itime 465120 + acceleration/energy drift too large 5.87757269010418 + 14.7966932352975 split increased to 2 itime 676781 itsplit 1 - acceleration/energy drift too large 5.71029719713249 - 12.9447391886482 split increased to 2 itime 465304 + acceleration/energy drift too large 4.70268396608510 + 11.6312329467050 split increased to 2 itime 680262 itsplit 1 - acceleration/energy drift too large 3.71529365486043 - 10.5965546312035 split increased to 2 itime 465408 + acceleration/energy drift too large 2.30741255261367 + 12.7487854698828 split increased to 2 itime 683617 itsplit 1 - acceleration/energy drift too large 5.04095527802420 - 16.6845067872505 split increased to 2 itime 466581 + acceleration/energy drift too large 2.67744296955034 + 10.8174126600248 split increased to 2 itime 684868 itsplit 1 - acceleration/energy drift too large 3.17881117329178 - 10.9486141388178 split increased to 2 itime 466652 + acceleration/energy drift too large 2.24912250262123 + 10.0170929220302 split increased to 2 itime 684964 itsplit 1 - acceleration/energy drift too large 6.12340982716428 - 12.3587224576679 split increased to 2 itime 467446 + acceleration/energy drift too large 4.56958484558269 + 11.9543016156776 split increased to 2 itime 685024 itsplit 1 - acceleration/energy drift too large 6.42261678838877 - 14.3127974791671 split increased to 2 itime 468163 + acceleration/energy drift too large 4.69120876127575 + 13.2506867305285 split increased to 2 itime 685270 itsplit 1 - acceleration/energy drift too large 5.34804721191135 - 25.1248262260255 split increased to 2 itime 470390 + acceleration/energy drift too large 4.24753499051130 + 14.0617669655862 split increased to 2 itime 686190 itsplit 1 - acceleration/energy drift too large 2.78242516931406 - 24.5686548768749 split increased to 2 itime 470391 + acceleration/energy drift too large 5.65742273820710 + 15.3199501889026 split increased to 2 itime 691808 itsplit 1 - acceleration/energy drift too large 5.40759402244583 - 12.4338366409876 split increased to 2 itime 471315 + acceleration/energy drift too large 2.71552843573751 + 20.9363108725842 split increased to 2 itime 696360 itsplit 1 - acceleration/energy drift too large 3.43462081885611 - 10.4570252408813 split increased to 2 itime 473371 + acceleration/energy drift too large 2.68882845348470 + 10.8476205629594 split increased to 2 itime 696431 itsplit 1 - acceleration/energy drift too large 4.21024612642277 - 12.2012163864496 split increased to 2 itime 473849 + acceleration/energy drift too large 2.55133505303908 + 10.0691708036634 split increased to 2 itime 696453 itsplit 1 - acceleration/energy drift too large 6.47248342585038 - 23.2750175444231 split increased to 2 itime 476562 + REMD synchro at 700000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 277.035156250000 0.000000000000000E+000 + REMD writing rst time= 7.812500000000000E-003 + REMD writing traj time= 0.000000000000000E+000 + NREP 16 +ACC 1 250.00000 0.14286 7 +ACC 2 260.00000 0.85714 7 +ACC 3 270.00000 0.42857 7 +ACC 4 280.00000 0.42857 7 +ACC 5 290.00000 0.57143 7 +ACC 6 300.00000 1.00000 7 +ACC 7 310.00000 0.57143 7 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 6.22266890588796 + 12.6661075702502 split increased to 2 itime 700068 itsplit 1 - acceleration/energy drift too large 4.40857045858804 - 10.2928721662550 split increased to 2 itime 476563 + acceleration/energy drift too large 9.51331039119436 + 46.5884930839135 split increased to 2 itime 702152 itsplit 1 - acceleration/energy drift too large 5.73203882604110 - 12.9272193324235 split increased to 2 itime 477965 + acceleration/energy drift too large 3.96521624926443 + 13.5199319773856 split increased to 2 itime 703020 itsplit 1 - acceleration/energy drift too large 4.59792919422320 - 23.9741804227690 split increased to 2 itime 478397 + acceleration/energy drift too large 2.31769733540108 + 11.2623959237660 split increased to 2 itime 703713 itsplit 1 - acceleration/energy drift too large 2.12848418843641 - 12.8294118053031 split increased to 2 itime 479376 + acceleration/energy drift too large 3.14013338796327 + 10.1392006128887 split increased to 2 itime 704579 itsplit 1 - acceleration/energy drift too large 3.34277430445103 - 10.2341156419797 split increased to 2 itime 479989 + acceleration/energy drift too large 4.30260026694695 + 10.8277639501245 split increased to 2 itime 704633 itsplit 1 - acceleration/energy drift too large 4.10294673604326 - 10.9425615649003 split increased to 2 itime 479994 + acceleration/energy drift too large 3.79340602147752 + 10.2174202512299 split increased to 2 itime 704653 itsplit 1 - acceleration/energy drift too large 3.91353713989020 - 10.0254200136228 split increased to 2 itime 480019 + acceleration/energy drift too large 3.90712629883964 + 10.7558970446412 split increased to 2 itime 704697 itsplit 1 - acceleration/energy drift too large 12.7928639463399 - 60.6093307597738 split increased to 2 itime 481130 + acceleration/energy drift too large 2.57072438235097 + 10.1708785450332 split increased to 2 itime 704714 itsplit 1 - acceleration/energy drift too large 4.54190447801872 - 15.0966623236882 split increased to 2 itime 481436 + acceleration/energy drift too large 2.32481535748189 + 10.0992584273175 split increased to 2 itime 704731 itsplit 1 - acceleration/energy drift too large 11.3750151483190 - 50.8460668713684 split increased to 2 itime 485004 + acceleration/energy drift too large 2.99259910061795 + 11.9263837798394 split increased to 2 itime 704803 itsplit 1 - acceleration/energy drift too large 2.95385848089599 - 14.3594193685555 split increased to 4 itime 485004 - itsplit 2 - acceleration/energy drift too large 6.73781478793935 - 32.9454284995317 split increased to 2 itime 485322 + acceleration/energy drift too large 2.82185404611476 + 11.7890904603667 split increased to 2 itime 704809 itsplit 1 - acceleration/energy drift too large 5.75179019349930 - 18.1874617364143 split increased to 2 itime 486692 + acceleration/energy drift too large 4.93060823139295 + 11.3672797038217 split increased to 2 itime 704935 itsplit 1 - acceleration/energy drift too large 3.71394957508847 - 10.7017947596753 split increased to 2 itime 488013 + acceleration/energy drift too large 6.29362157794411 + 23.0408089547767 split increased to 2 itime 706379 itsplit 1 - acceleration/energy drift too large 5.30188558781754 - 14.2334926654815 split increased to 2 itime 490550 + acceleration/energy drift too large 4.15499683296232 + 14.4548981011180 split increased to 2 itime 709005 itsplit 1 - acceleration/energy drift too large 4.55094542654810 - 25.6245229913296 split increased to 2 itime 492231 + acceleration/energy drift too large 5.85433210797833 + 12.9809461776784 split increased to 2 itime 709899 itsplit 1 - acceleration/energy drift too large 4.80713564381476 - 17.9145273120508 split increased to 2 itime 493027 + acceleration/energy drift too large 6.37249040788880 + 10.1845088664188 split increased to 2 itime 711292 itsplit 1 - acceleration/energy drift too large 3.66561499835934 - 14.7155455736880 split increased to 2 itime 493152 + acceleration/energy drift too large 2.43871175449653 + 12.0194665995961 split increased to 2 itime 711336 itsplit 1 - acceleration/energy drift too large 3.95819541109023 - 10.7746336122154 split increased to 2 itime 493157 + acceleration/energy drift too large 4.91036013100709 + 14.2538814376394 split increased to 2 itime 712027 itsplit 1 - acceleration/energy drift too large 4.20281664887109 - 11.7441760308973 split increased to 2 itime 493173 + acceleration/energy drift too large 7.11866966174388 + 12.8125687896244 split increased to 2 itime 712028 itsplit 1 - acceleration/energy drift too large 3.80692589539098 - 11.2696311252196 split increased to 2 itime 493191 + acceleration/energy drift too large 2.06789994113342 + 10.7297438434284 split increased to 2 itime 712844 itsplit 1 - acceleration/energy drift too large 4.18003772677921 - 11.5727112451472 split increased to 2 itime 493215 + acceleration/energy drift too large 5.91841175101234 + 21.0639236808578 split increased to 2 itime 714602 itsplit 1 - acceleration/energy drift too large 4.36529927874289 - 18.5264721926763 split increased to 2 itime 493661 + acceleration/energy drift too large 2.14729074036192 + 11.6876187789188 split increased to 2 itime 715010 itsplit 1 - acceleration/energy drift too large 4.19693770726016 - 12.2054542295134 split increased to 2 itime 493829 + acceleration/energy drift too large 1.37558015177382 + 10.6762540083382 split increased to 2 itime 718072 itsplit 1 - acceleration/energy drift too large 6.53661152734394 - 12.5302550482339 split increased to 2 itime 499372 + acceleration/energy drift too large 7.88001573400738 + 16.7010510809287 split increased to 2 itime 719960 itsplit 1 - acceleration/energy drift too large 3.22997621892815 - 13.6338618568845 split increased to 2 itime 499697 + acceleration/energy drift too large 5.50961900450896 + 20.9418275826827 split increased to 2 itime 720707 itsplit 1 - REMD synchro at 500000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 230.730468750000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 - NREP 16 -ACC 1 250.00000 0.40000 5 -ACC 2 260.00000 0.40000 5 -ACC 3 270.00000 1.00000 5 -ACC 4 280.00000 0.60000 5 -ACC 5 290.00000 0.40000 5 -ACC 6 300.00000 0.60000 5 -ACC 7 310.00000 0.60000 5 -ACC 8 320.00000 0.40000 5 -ACC 9 330.00000 1.00000 5 -ACC 10 340.00000 0.40000 5 -ACC 11 350.00000 1.00000 5 -ACC 12 360.00000 1.00000 5 -ACC 13 370.00000 0.80000 5 -ACC 14 380.00000 0.80000 5 -ACC 15 390.00000 0.80000 5 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 7.30114365090927 - 20.9394571298247 split increased to 2 itime 502331 + acceleration/energy drift too large 5.64194229379561 + 17.5436546543736 split increased to 2 itime 720750 itsplit 1 - acceleration/energy drift too large 6.26211787725750 - 31.3065781609040 split increased to 2 itime 502554 + acceleration/energy drift too large 3.79069110714974 + 10.4397124133296 split increased to 2 itime 721129 itsplit 1 - acceleration/energy drift too large 2.81716055666825 - 18.0445010356465 split increased to 2 itime 502946 + acceleration/energy drift too large 6.16434414605557 + 17.2978104861773 split increased to 2 itime 723275 itsplit 1 - acceleration/energy drift too large 2.46298337975733 - 11.1344969262833 split increased to 2 itime 503043 + acceleration/energy drift too large 2.18866433835450 + 12.0872562691630 split increased to 2 itime 724159 itsplit 1 - acceleration/energy drift too large 3.43937504573531 - 10.6345801227653 split increased to 2 itime 504149 + acceleration/energy drift too large 1.92793341597504 + 11.6349468563801 split increased to 2 itime 724173 itsplit 1 - acceleration/energy drift too large 2.97273473172716 - 26.1550591522357 split increased to 2 itime 504299 + acceleration/energy drift too large 10.3477291010657 + 51.1382922793785 split increased to 2 itime 724413 itsplit 1 - acceleration/energy drift too large 4.23642920834176 - 10.6472833315762 split increased to 2 itime 506897 + acceleration/energy drift too large 4.74872353084568 + 14.3388923931449 split increased to 2 itime 724864 itsplit 1 - acceleration/energy drift too large 5.70728485372897 - 19.7893702394482 split increased to 2 itime 507928 + acceleration/energy drift too large 4.54821629271186 + 10.1563648822652 split increased to 2 itime 725474 itsplit 1 - acceleration/energy drift too large 5.45159875596180 - 18.5180835782251 split increased to 2 itime 517317 + acceleration/energy drift too large 3.04487599446844 + 10.5098884587661 split increased to 2 itime 725556 itsplit 1 - acceleration/energy drift too large 4.55455490539076 - 14.7463576593996 split increased to 2 itime 517322 + acceleration/energy drift too large 1.74252407607005 + 10.5560182171380 split increased to 2 itime 725562 itsplit 1 - acceleration/energy drift too large 5.27560899024421 - 13.4634524855430 split increased to 2 itime 517329 + acceleration/energy drift too large 3.65588481295424 + 11.3761342370342 split increased to 2 itime 725652 itsplit 1 - acceleration/energy drift too large 3.79898697287969 - 13.5417032333128 split increased to 2 itime 517332 + acceleration/energy drift too large 12.9162686863904 + 58.0407274520310 split increased to 2 itime 727423 itsplit 1 - acceleration/energy drift too large 3.08504290932879 - 10.6601394350086 split increased to 2 itime 517339 + acceleration/energy drift too large 2.99709526832101 + 11.9844223981653 split increased to 2 itime 728538 itsplit 1 - acceleration/energy drift too large 2.37603168964617 - 12.5844220606046 split increased to 2 itime 520358 + acceleration/energy drift too large 3.25691131706594 + 17.0932412937603 split increased to 2 itime 728928 itsplit 1 - acceleration/energy drift too large 3.32873269198684 - 15.1015445544590 split increased to 2 itime 523336 + acceleration/energy drift too large 8.29471280000083 + 28.4247317904830 split increased to 2 itime 729033 itsplit 1 - acceleration/energy drift too large 2.60979726024562 - 10.9126520420714 split increased to 2 itime 525819 + acceleration/energy drift too large 4.46197633984267 + 13.8385655572551 split increased to 2 itime 730125 itsplit 1 - acceleration/energy drift too large 5.07575040208828 - 11.6821543637996 split increased to 2 itime 529018 + acceleration/energy drift too large 2.33043471461783 + 11.5594750922131 split increased to 2 itime 730380 itsplit 1 - acceleration/energy drift too large 4.20209240193991 - 10.9130647133098 split increased to 2 itime 529975 + acceleration/energy drift too large 3.33095258859194 + 10.5290068329757 split increased to 2 itime 730465 itsplit 1 - acceleration/energy drift too large 13.4082027926156 - 73.6558333036112 split increased to 2 itime 529992 + acceleration/energy drift too large 3.52812084852736 + 10.5249371233442 split increased to 2 itime 733411 itsplit 1 - acceleration/energy drift too large 3.80119032501309 - 11.0699009840681 split increased to 2 itime 530232 + acceleration/energy drift too large 3.09534534055926 + 10.8869033703203 split increased to 2 itime 733490 itsplit 1 - acceleration/energy drift too large 2.98605614779717 - 10.6724572554363 split increased to 2 itime 533054 + acceleration/energy drift too large 6.81656746870041 + 18.5260397263884 split increased to 2 itime 736492 itsplit 1 - acceleration/energy drift too large 9.57394826980568 - 42.9715071694810 split increased to 2 itime 533992 + acceleration/energy drift too large 2.37441913926064 + 10.0831657586972 split increased to 2 itime 737486 itsplit 1 - acceleration/energy drift too large 4.02730862918485 - 14.8626080714087 split increased to 2 itime 534372 + acceleration/energy drift too large 3.28860019907596 + 13.6743085791983 split increased to 2 itime 737490 itsplit 1 - acceleration/energy drift too large 3.46246317816392 - 10.0454823044400 split increased to 2 itime 537465 + acceleration/energy drift too large 6.06172075079157 + 11.3267029982673 split increased to 2 itime 737492 itsplit 1 - acceleration/energy drift too large 4.04660294147892 - 15.9914207930171 split increased to 2 itime 537700 + acceleration/energy drift too large 2.77463062763506 + 15.5797344382572 split increased to 2 itime 737493 itsplit 1 - acceleration/energy drift too large 5.55080564240151 - 16.3683074359074 split increased to 2 itime 537911 + acceleration/energy drift too large 3.22343911246678 + 17.6986544451253 split increased to 2 itime 739320 itsplit 1 - acceleration/energy drift too large 6.63989027623059 - 29.8565402920517 split increased to 2 itime 539565 + acceleration/energy drift too large 4.89875257823104 + 11.4649270392609 split increased to 2 itime 742455 itsplit 1 - acceleration/energy drift too large 2.81050018221707 - 11.6060182178007 split increased to 2 itime 539566 + acceleration/energy drift too large 4.75158497962348 + 12.6082178953383 split increased to 2 itime 744572 itsplit 1 - acceleration/energy drift too large 5.95284111627369 - 14.0649950692351 split increased to 2 itime 540302 + acceleration/energy drift too large 2.74496998422814 + 10.3546918786311 split increased to 2 itime 746090 itsplit 1 - acceleration/energy drift too large 7.09360729157836 - 10.7262803198705 split increased to 2 itime 540410 + acceleration/energy drift too large 5.62501434075069 + 23.7461701691730 split increased to 2 itime 747582 itsplit 1 - acceleration/energy drift too large 5.63880785662400 - 11.0318395926678 split increased to 2 itime 545890 + acceleration/energy drift too large 7.96162609855469 + 30.2392839742710 split increased to 2 itime 749090 itsplit 1 - acceleration/energy drift too large 2.49437492343314 - 10.0347659241073 split increased to 2 itime 546807 + acceleration/energy drift too large 3.42663958022221 + 10.3137392120728 split increased to 2 itime 750002 itsplit 1 - acceleration/energy drift too large 3.63743535995864 - 10.0076749866076 split increased to 2 itime 547449 + acceleration/energy drift too large 3.94798962433313 + 13.5840312731322 split increased to 2 itime 750700 itsplit 1 - acceleration/energy drift too large 3.95117335442258 - 10.4167672025112 split increased to 2 itime 547488 + acceleration/energy drift too large 5.55416200822033 + 11.5922393481714 split increased to 2 itime 750793 itsplit 1 - acceleration/energy drift too large 4.74935729339690 - 12.9214419287871 split increased to 2 itime 548129 + acceleration/energy drift too large 7.37737629259915 + 33.2192898999782 split increased to 2 itime 751143 itsplit 1 - acceleration/energy drift too large 10.0884893980159 - 41.2438904906627 split increased to 2 itime 550487 + acceleration/energy drift too large 9.74765156075217 + 40.5652048236205 split increased to 2 itime 752334 itsplit 1 - acceleration/energy drift too large 4.71146897940437 - 14.2887898261252 split increased to 2 itime 552582 + acceleration/energy drift too large 2.75185830786940 + 14.2839987470299 split increased to 4 itime 752334 + itsplit 2 + acceleration/energy drift too large 8.01415033522304 + 37.9807863381783 split increased to 2 itime 752598 itsplit 1 - acceleration/energy drift too large 3.62359574299086 - 11.3104932815932 split increased to 2 itime 557420 + acceleration/energy drift too large 3.39019241179640 + 11.8851666061507 split increased to 2 itime 752654 itsplit 1 - acceleration/energy drift too large 2.86531866870884 - 18.2563479095014 split increased to 2 itime 560575 + acceleration/energy drift too large 2.71927022721466 + 10.7506677715094 split increased to 2 itime 752662 itsplit 1 - acceleration/energy drift too large 9.07946034675849 - 40.3637864993900 split increased to 2 itime 560775 + acceleration/energy drift too large 3.16063497524178 + 11.5982865238897 split increased to 2 itime 752666 itsplit 1 - acceleration/energy drift too large 4.92664549662622 - 17.8262044491680 split increased to 2 itime 561676 + acceleration/energy drift too large 3.63328760304736 + 10.7779957825044 split increased to 2 itime 752668 itsplit 1 - acceleration/energy drift too large 3.63167671454263 - 21.3158140084775 split increased to 2 itime 562488 + acceleration/energy drift too large 4.54701927735100 + 14.9645381490278 split increased to 2 itime 752670 itsplit 1 - acceleration/energy drift too large 6.14833937579058 - 19.0284321531864 split increased to 2 itime 564835 + acceleration/energy drift too large 2.70267763244291 + 17.9240564782548 split increased to 2 itime 752671 itsplit 1 - acceleration/energy drift too large 5.31218597606807 - 27.5206834052218 split increased to 2 itime 565752 + acceleration/energy drift too large 3.93012845718014 + 17.3955629802141 split increased to 2 itime 752674 itsplit 1 - acceleration/energy drift too large 3.94915216318044 - 13.8232331522680 split increased to 2 itime 565965 + acceleration/energy drift too large 2.53007938244950 + 12.4786302939834 split increased to 2 itime 752675 itsplit 1 - acceleration/energy drift too large 6.56317583403199 - 27.8624290733322 split increased to 2 itime 566005 + acceleration/energy drift too large 1.93592683164267 + 11.3481660210413 split increased to 2 itime 752676 itsplit 1 - acceleration/energy drift too large 6.05701461196987 - 26.0334320096697 split increased to 2 itime 566031 + acceleration/energy drift too large 2.70582264035735 + 14.2620859802954 split increased to 2 itime 752677 itsplit 1 - acceleration/energy drift too large 7.44675016186477 - 18.6865454596865 split increased to 2 itime 567409 + acceleration/energy drift too large 4.69534375261343 + 10.0307207112296 split increased to 2 itime 752680 itsplit 1 - acceleration/energy drift too large 4.81307184554761 - 22.8714744854257 split increased to 2 itime 568270 + acceleration/energy drift too large 3.92375264456935 + 24.4564216859469 split increased to 2 itime 752681 itsplit 1 - acceleration/energy drift too large 3.75155236127697 - 11.6470422075794 split increased to 2 itime 569317 + acceleration/energy drift too large 4.13597688821239 + 12.1091242600619 split increased to 2 itime 752683 itsplit 1 - acceleration/energy drift too large 3.67570471140136 - 11.0474518031134 split increased to 2 itime 569475 + acceleration/energy drift too large 3.30349623467196 + 10.6975070038883 split increased to 2 itime 752699 itsplit 1 - acceleration/energy drift too large 1.87697756897298 - 14.8192601672599 split increased to 2 itime 570696 + acceleration/energy drift too large 2.32553240270026 + 10.6096164382573 split increased to 2 itime 752710 itsplit 1 - acceleration/energy drift too large 5.56461665357079 - 22.0407419031899 split increased to 2 itime 570949 + acceleration/energy drift too large 6.43861795995971 + 23.9445264510033 split increased to 2 itime 754176 itsplit 1 - acceleration/energy drift too large 5.36236926383735 - 19.6472550812229 split increased to 2 itime 571178 + acceleration/energy drift too large 6.65909780895276 + 24.7712700580553 split increased to 2 itime 755802 itsplit 1 - acceleration/energy drift too large 6.43929639997378 - 30.0854308657386 split increased to 2 itime 571738 + acceleration/energy drift too large 6.31224328170568 + 27.8753701959217 split increased to 2 itime 757544 itsplit 1 - acceleration/energy drift too large 3.69808561086469 - 23.9746737579481 split increased to 2 itime 573027 + acceleration/energy drift too large 4.48723279416695 + 11.1611142785821 split increased to 2 itime 760174 itsplit 1 - acceleration/energy drift too large 2.38671373076949 - 11.6830570094362 split increased to 2 itime 574471 + acceleration/energy drift too large 6.34321528508540 + 28.3845570208157 split increased to 2 itime 761469 itsplit 1 - acceleration/energy drift too large 6.41069769738161 - 20.2369633875372 split increased to 2 itime 575110 + acceleration/energy drift too large 4.98912518953887 + 15.9434464120301 split increased to 2 itime 761679 itsplit 1 - acceleration/energy drift too large 5.82872781088437 - 19.9537898261134 split increased to 2 itime 575320 + acceleration/energy drift too large 2.22826320663272 + 10.4591009882225 split increased to 2 itime 763514 itsplit 1 - acceleration/energy drift too large 4.97331465591048 - 11.5439871796580 split increased to 2 itime 575654 + acceleration/energy drift too large 2.02339216982524 + 11.3051217232850 split increased to 2 itime 764060 itsplit 1 - acceleration/energy drift too large 5.83891992281162 - 37.1804672026027 split increased to 2 itime 576539 + acceleration/energy drift too large 3.28425106141271 + 11.0262454110569 split increased to 2 itime 764585 itsplit 1 - acceleration/energy drift too large 4.98708412964233 - 11.3260585633133 split increased to 2 itime 576964 + acceleration/energy drift too large 4.42973235374506 + 12.6205906290086 split increased to 2 itime 765017 itsplit 1 - acceleration/energy drift too large 4.31776881096963 - 16.0826320045904 split increased to 2 itime 577008 + acceleration/energy drift too large 2.94120892814721 + 10.2999938728404 split increased to 2 itime 765207 itsplit 1 - acceleration/energy drift too large 3.28643854525381 - 16.9459737999462 split increased to 2 itime 577532 + acceleration/energy drift too large 3.15715782038621 + 11.6713629185368 split increased to 2 itime 765427 itsplit 1 - acceleration/energy drift too large 2.95839716723756 - 19.2974267331848 split increased to 2 itime 578299 + acceleration/energy drift too large 3.83985778573164 + 10.7037262604643 split increased to 2 itime 765446 itsplit 1 - acceleration/energy drift too large 5.81997251798191 - 15.6667366752339 split increased to 2 itime 578493 + acceleration/energy drift too large 2.53572800981734 + 10.3157938996068 split increased to 2 itime 765482 itsplit 1 - acceleration/energy drift too large 3.48459178352279 - 14.9266720901950 split increased to 2 itime 579225 + acceleration/energy drift too large 2.21298244307038 + 11.1093082892149 split increased to 2 itime 769580 itsplit 1 - acceleration/energy drift too large 13.7251441580511 - 83.1693201180353 split increased to 2 itime 581689 + acceleration/energy drift too large 3.29300495707773 + 13.2049661076360 split increased to 2 itime 771041 itsplit 1 - acceleration/energy drift too large 3.50760731700830 - 11.6473558376562 split increased to 2 itime 582007 + acceleration/energy drift too large 5.45466165996365 + 11.9730532482924 split increased to 2 itime 771074 itsplit 1 - acceleration/energy drift too large 3.27923255810349 - 17.2739375586633 split increased to 2 itime 582044 + acceleration/energy drift too large 2.22016181059518 + 12.1897517361002 split increased to 2 itime 771728 itsplit 1 - acceleration/energy drift too large 2.32086410732743 - 11.7303843680063 split increased to 2 itime 582131 + acceleration/energy drift too large 4.61595200678173 + 12.0665208836666 split increased to 2 itime 774652 itsplit 1 - acceleration/energy drift too large 1.64687033180033 - 13.0770532939428 split increased to 2 itime 583017 + acceleration/energy drift too large 12.5062223036267 + 59.7358890940530 split increased to 2 itime 775245 itsplit 1 - acceleration/energy drift too large 7.15685786998817 - 23.9896443636178 split increased to 2 itime 583555 + acceleration/energy drift too large 5.82877859574045 + 20.4872113237601 split increased to 2 itime 776623 itsplit 1 - acceleration/energy drift too large 2.43675816113552 - 14.4562072529101 split increased to 2 itime 583556 + acceleration/energy drift too large 4.75061268948376 + 19.4190154892775 split increased to 2 itime 776802 itsplit 1 - acceleration/energy drift too large 2.61012515337766 - 21.3193850112083 split increased to 2 itime 584130 + acceleration/energy drift too large 3.76318014509958 + 13.4573827772317 split increased to 2 itime 777059 itsplit 1 - acceleration/energy drift too large 2.77317764221896 - 15.5157664619331 split increased to 2 itime 586140 + acceleration/energy drift too large 3.61202757868461 + 11.5809109827906 split increased to 2 itime 777705 itsplit 1 - acceleration/energy drift too large 2.41866022202931 - 10.5865252856427 split increased to 2 itime 586233 + acceleration/energy drift too large 4.59013567773438 + 19.7737190746432 split increased to 2 itime 779006 itsplit 1 - acceleration/energy drift too large 6.02950707449041 - 22.3707802562223 split increased to 2 itime 586933 + acceleration/energy drift too large 2.47941140224892 + 12.5596786766523 split increased to 2 itime 779100 itsplit 1 - acceleration/energy drift too large 5.13643172748779 - 15.7264187094901 split increased to 2 itime 587066 + acceleration/energy drift too large 4.40850530238053 + 13.3042199927031 split increased to 2 itime 779155 itsplit 1 - acceleration/energy drift too large 2.86565350779000 - 14.0258079763188 split increased to 2 itime 587267 + acceleration/energy drift too large 6.52049828678658 + 30.5147611262913 split increased to 2 itime 779583 itsplit 1 - acceleration/energy drift too large 3.60748899172053 - 16.6118182660075 split increased to 2 itime 587522 + acceleration/energy drift too large 3.96614136123242 + 16.3052873194727 split increased to 2 itime 779694 itsplit 1 - acceleration/energy drift too large 2.89715010258460 - 15.4734431709545 split increased to 2 itime 587715 + acceleration/energy drift too large 2.80761466352017 + 10.8020220812645 split increased to 2 itime 780430 itsplit 1 - acceleration/energy drift too large 2.73624002781895 - 11.3659808582786 split increased to 2 itime 589283 + acceleration/energy drift too large 2.69150725633322 + 11.4320329612564 split increased to 2 itime 780506 itsplit 1 - acceleration/energy drift too large 4.63314860651889 - 19.5059934063783 split increased to 2 itime 589423 + acceleration/energy drift too large 2.31246469838370 + 10.1715031267633 split increased to 2 itime 780534 itsplit 1 - acceleration/energy drift too large 3.78841225335529 - 11.7407192292669 split increased to 2 itime 589439 + acceleration/energy drift too large 2.91305584981933 + 16.0521974514247 split increased to 2 itime 781433 itsplit 1 - acceleration/energy drift too large 3.43705033943645 - 13.2359207393840 split increased to 2 itime 589707 + acceleration/energy drift too large 4.20825139806427 + 10.2831988021314 split increased to 2 itime 785918 itsplit 1 - acceleration/energy drift too large 6.01090090755401 - 16.9237582489499 split increased to 2 itime 589773 + acceleration/energy drift too large 9.28235213637268 + 31.8161089853804 split increased to 2 itime 786211 itsplit 1 - acceleration/energy drift too large 6.08372077980445 - 14.8411270843003 split increased to 2 itime 589780 + acceleration/energy drift too large 6.56612847390236 + 22.1401796718833 split increased to 2 itime 787172 itsplit 1 - acceleration/energy drift too large 2.47645235877464 - 16.0610479982983 split increased to 2 itime 589781 + acceleration/energy drift too large 4.79753464246649 + 14.7871961257921 split increased to 2 itime 787230 itsplit 1 - acceleration/energy drift too large 3.83621357893593 - 16.0376715411910 split increased to 2 itime 593076 + acceleration/energy drift too large 4.53001944401006 + 13.4596297260193 split increased to 2 itime 787404 itsplit 1 - acceleration/energy drift too large 2.86916728074083 - 18.4363552986017 split increased to 2 itime 593480 + acceleration/energy drift too large 3.52590185762793 + 11.0933145233756 split increased to 2 itime 788773 itsplit 1 - acceleration/energy drift too large 3.98869822545720 - 17.7868674122062 split increased to 2 itime 594524 + acceleration/energy drift too large 3.24628595522011 + 10.1379721933316 split increased to 2 itime 788789 itsplit 1 - acceleration/energy drift too large 4.63749766789932 - 16.0839694610795 split increased to 2 itime 594574 + acceleration/energy drift too large 8.13555058663948 + 27.3970801761403 split increased to 2 itime 789193 itsplit 1 - acceleration/energy drift too large 2.41391982523621 - 14.7971190021264 split increased to 2 itime 595027 + acceleration/energy drift too large 4.97947890777512 + 11.8074350454522 split increased to 2 itime 789718 itsplit 1 - acceleration/energy drift too large 3.00813134160393 - 10.8179363274071 split increased to 2 itime 595453 + acceleration/energy drift too large 3.14323754984929 + 22.3580002588657 split increased to 2 itime 790645 itsplit 1 - acceleration/energy drift too large 5.48395278199503 - 20.7136169943632 split increased to 2 itime 596064 + acceleration/energy drift too large 2.93611998222082 + 12.5302668042684 split increased to 2 itime 790754 itsplit 1 - acceleration/energy drift too large 3.51163075698958 - 12.5492787586556 split increased to 2 itime 596076 + acceleration/energy drift too large 4.83192823545234 + 10.1348264580107 split increased to 2 itime 791148 itsplit 1 - acceleration/energy drift too large 4.66035840547395 - 11.3375348174304 split increased to 2 itime 597469 + acceleration/energy drift too large 4.56230792637775 + 12.8050537538552 split increased to 2 itime 791350 itsplit 1 - acceleration/energy drift too large 3.93737093129494 - 16.6011628452674 split increased to 2 itime 597474 + acceleration/energy drift too large 2.65443967226289 + 10.9506323764367 split increased to 2 itime 792428 itsplit 1 - acceleration/energy drift too large 4.02003887033967 - 12.4515520434023 split increased to 2 itime 597660 + acceleration/energy drift too large 1.98530114114582 + 10.2207210542826 split increased to 2 itime 792844 itsplit 1 - acceleration/energy drift too large 3.16871837796467 - 13.3445464973711 split increased to 2 itime 597685 + acceleration/energy drift too large 3.72021028707633 + 17.8879040240107 split increased to 2 itime 793143 itsplit 1 - acceleration/energy drift too large 2.63213636543151 - 11.6412359757452 split increased to 2 itime 599844 + acceleration/energy drift too large 3.61728738110863 + 11.1272742839188 split increased to 2 itime 797798 itsplit 1 - REMD synchro at 600000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + REMD synchro at 800000 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 277.093750000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 316.710937500000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.33333 6 -ACC 2 260.00000 0.33333 6 -ACC 3 270.00000 1.00000 6 -ACC 4 280.00000 0.66667 6 -ACC 5 290.00000 0.33333 6 -ACC 6 300.00000 0.66667 6 -ACC 7 310.00000 0.66667 6 -ACC 8 320.00000 0.33333 6 -ACC 9 330.00000 1.00000 6 -ACC 10 340.00000 0.50000 6 -ACC 11 350.00000 1.00000 6 -ACC 12 360.00000 1.00000 6 -ACC 13 370.00000 0.83333 6 -ACC 14 380.00000 0.83333 6 -ACC 15 390.00000 0.83333 6 +ACC 1 250.00000 0.12500 8 +ACC 2 260.00000 0.87500 8 +ACC 3 270.00000 0.37500 8 +ACC 4 280.00000 0.37500 8 +ACC 5 290.00000 0.50000 8 +ACC 6 300.00000 1.00000 8 +ACC 7 310.00000 0.50000 8 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 7.01611464883391 - 44.3108189806254 split increased to 2 itime 601387 - itsplit 1 - acceleration/energy drift too large 5.69333424049076 - 10.3163268292654 split increased to 2 itime 601403 - itsplit 1 - acceleration/energy drift too large 4.16917560536961 - 10.8427023909753 split increased to 2 itime 601711 - itsplit 1 - acceleration/energy drift too large 5.35440879182324 - 28.4311634772663 split increased to 2 itime 602360 - itsplit 1 - acceleration/energy drift too large 4.48804727528191 - 11.2325500361377 split increased to 2 itime 602451 - itsplit 1 - acceleration/energy drift too large 3.43990955306464 - 10.1672216914247 split increased to 2 itime 602519 - itsplit 1 - acceleration/energy drift too large 5.70808053562732 - 11.5910532056009 split increased to 2 itime 604307 - itsplit 1 - acceleration/energy drift too large 5.47660466565129 - 26.3638007120320 split increased to 2 itime 604766 - itsplit 1 - acceleration/energy drift too large 2.39706342402944 - 12.9398969113297 split increased to 2 itime 604770 - itsplit 1 - acceleration/energy drift too large 3.14563232042270 - 16.2269576200364 split increased to 2 itime 604771 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 3.04759777189784 + 18.7060242851618 split increased to 2 itime 801728 itsplit 1 - acceleration/energy drift too large 3.44497706677758 - 13.3478903836961 split increased to 2 itime 604773 + acceleration/energy drift too large 2.22856245957937 + 10.4667759896492 split increased to 2 itime 804170 itsplit 1 - acceleration/energy drift too large 5.28734884359665 - 31.9169402442888 split increased to 2 itime 604922 + acceleration/energy drift too large 6.77200349485410 + 15.6108881982449 split increased to 2 itime 805253 itsplit 1 - acceleration/energy drift too large 5.83948179762637 - 20.1510828891808 split increased to 2 itime 604956 + acceleration/energy drift too large 2.92268838706356 + 11.3913275960643 split increased to 2 itime 805981 itsplit 1 - acceleration/energy drift too large 3.58154961261564 - 29.5493332576752 split increased to 2 itime 605157 + acceleration/energy drift too large 2.20186141875850 + 16.5969788373684 split increased to 2 itime 805991 itsplit 1 - acceleration/energy drift too large 3.21590251787873 - 11.9840988297477 split increased to 2 itime 605187 + acceleration/energy drift too large 3.26888472192852 + 10.4691788354374 split increased to 2 itime 806013 itsplit 1 - acceleration/energy drift too large 3.39344636872984 - 13.3225561141630 split increased to 2 itime 606060 + acceleration/energy drift too large 7.35738879298710 + 12.3324564942039 split increased to 2 itime 806539 itsplit 1 - acceleration/energy drift too large 3.28524809087988 - 11.0463691404064 split increased to 2 itime 606158 + acceleration/energy drift too large 5.99982704607795 + 13.3850910299251 split increased to 2 itime 807225 itsplit 1 - acceleration/energy drift too large 2.46838488797357 - 11.3078408273286 split increased to 2 itime 606500 + acceleration/energy drift too large 5.65676101821954 + 13.3763648943318 split increased to 2 itime 807891 itsplit 1 - acceleration/energy drift too large 3.06744166322062 - 17.1474926660124 split increased to 2 itime 606669 + acceleration/energy drift too large 4.34452019221622 + 16.1765012039935 split increased to 2 itime 808051 itsplit 1 - acceleration/energy drift too large 4.64026065121936 - 14.2522661116315 split increased to 2 itime 606702 + acceleration/energy drift too large 6.51759969102698 + 22.1321750993877 split increased to 2 itime 809171 itsplit 1 - acceleration/energy drift too large 3.16764544630323 - 11.7583156065221 split increased to 2 itime 606726 + acceleration/energy drift too large 7.41463375510252 + 17.3870892440910 split increased to 2 itime 810298 itsplit 1 - acceleration/energy drift too large 4.66786541890788 - 10.9822644946310 split increased to 2 itime 606727 + acceleration/energy drift too large 7.11636198571468 + 15.7083718145018 split increased to 2 itime 812174 itsplit 1 - acceleration/energy drift too large 4.74019081154017 - 23.8003662942331 split increased to 2 itime 607510 + acceleration/energy drift too large 6.99345218756695 + 12.6066793494944 split increased to 2 itime 813088 itsplit 1 - acceleration/energy drift too large 4.66236926285537 - 29.1085087213740 split increased to 2 itime 607578 + acceleration/energy drift too large 4.88914563824126 + 10.0797024024354 split increased to 2 itime 813090 itsplit 1 - acceleration/energy drift too large 2.77756234896973 - 17.7868745705893 split increased to 2 itime 607692 + acceleration/energy drift too large 5.78989847351531 + 17.5514012724352 split increased to 2 itime 813188 itsplit 1 - acceleration/energy drift too large 2.84883714639050 - 19.9478553482221 split increased to 2 itime 608312 + acceleration/energy drift too large 6.52304330575791 + 20.8891504105015 split increased to 2 itime 814975 itsplit 1 - acceleration/energy drift too large 3.53160122879718 - 12.5962899897486 split increased to 2 itime 608387 + acceleration/energy drift too large 6.78932255060707 + 22.6187214644894 split increased to 2 itime 815828 itsplit 1 - acceleration/energy drift too large 2.33385373566345 - 10.1024071661288 split increased to 2 itime 608415 + acceleration/energy drift too large 5.70187046947739 + 25.3896359485052 split increased to 2 itime 819835 itsplit 1 - acceleration/energy drift too large 5.56107298895505 - 30.6517930214951 split increased to 2 itime 609168 + acceleration/energy drift too large 7.60129848518354 + 14.4662270115419 split increased to 2 itime 820407 itsplit 1 - acceleration/energy drift too large 5.50582967897067 - 23.0723098916497 split increased to 2 itime 610951 + acceleration/energy drift too large 8.94712944173327 + 40.5229942903566 split increased to 2 itime 820997 itsplit 1 - acceleration/energy drift too large 5.08559012744575 - 20.2368257655558 split increased to 2 itime 611276 + acceleration/energy drift too large 2.27515445880527 + 11.5921771460632 split increased to 2 itime 821442 itsplit 1 - acceleration/energy drift too large 5.48599512431033 - 21.2366813104581 split increased to 2 itime 611412 + acceleration/energy drift too large 6.10202055689394 + 16.2729463075284 split increased to 2 itime 822156 itsplit 1 - acceleration/energy drift too large 4.28485971507573 - 14.9819523147081 split increased to 2 itime 612726 + acceleration/energy drift too large 6.05080806452347 + 14.7580457859862 split increased to 2 itime 822976 itsplit 1 - acceleration/energy drift too large 4.41954986475502 - 15.9390654926144 split increased to 2 itime 612752 + acceleration/energy drift too large 2.85519928755847 + 17.6127447620196 split increased to 2 itime 823202 itsplit 1 - acceleration/energy drift too large 6.38121746961199 - 18.4983527608401 split increased to 2 itime 613048 + acceleration/energy drift too large 2.42083645981002 + 10.1414285292442 split increased to 2 itime 823701 itsplit 1 - acceleration/energy drift too large 5.31948613696339 - 36.0415184689782 split increased to 2 itime 613340 + acceleration/energy drift too large 3.37307205526463 + 10.0273966515836 split increased to 2 itime 826914 itsplit 1 - acceleration/energy drift too large 5.94743040221702 - 25.2530087626529 split increased to 2 itime 613546 + acceleration/energy drift too large 6.70091105106446 + 30.9687909321332 split increased to 2 itime 829363 itsplit 1 - acceleration/energy drift too large 5.44936880944909 - 12.7232886367468 split increased to 2 itime 617290 + acceleration/energy drift too large 7.49652171519678 + 27.3864183397681 split increased to 2 itime 829712 itsplit 1 - acceleration/energy drift too large 4.12066793546654 - 15.8114240724834 split increased to 2 itime 618143 + acceleration/energy drift too large 6.44468908840959 + 12.2284361325357 split increased to 2 itime 833320 itsplit 1 - acceleration/energy drift too large 10.8229962009036 - 66.6991359723763 split increased to 2 itime 618419 + acceleration/energy drift too large 2.20579661362847 + 10.2083614511523 split increased to 2 itime 835148 itsplit 1 - acceleration/energy drift too large 5.48929827706529 - 13.8706077252812 split increased to 2 itime 618622 + acceleration/energy drift too large 5.67624996204251 + 13.1411314216703 split increased to 2 itime 837025 itsplit 1 - acceleration/energy drift too large 4.70070977011950 - 18.2789850053721 split increased to 2 itime 619186 + acceleration/energy drift too large 6.13511514714189 + 16.2900273754332 split increased to 2 itime 837859 itsplit 1 - acceleration/energy drift too large 7.05546238999264 - 17.4773737794607 split increased to 2 itime 619640 + acceleration/energy drift too large 3.45128896192725 + 10.5339807991883 split increased to 2 itime 841002 itsplit 1 - acceleration/energy drift too large 3.82522694402992 - 15.2087412727628 split increased to 2 itime 619907 + acceleration/energy drift too large 3.78413427004312 + 10.4759495757062 split increased to 2 itime 841682 itsplit 1 - acceleration/energy drift too large 4.49011694859123 - 10.3650071973379 split increased to 2 itime 621584 + acceleration/energy drift too large 10.4467310552014 + 24.0624742452977 split increased to 2 itime 841928 itsplit 1 - acceleration/energy drift too large 3.18478992178142 - 17.9840849716397 split increased to 2 itime 622186 + acceleration/energy drift too large 10.6572572005651 + 48.7266139510165 split increased to 2 itime 843813 itsplit 1 - acceleration/energy drift too large 4.44770134326738 - 16.0218159993251 split increased to 2 itime 623026 + acceleration/energy drift too large 10.5187685685253 + 57.4974130270608 split increased to 2 itime 845094 itsplit 1 - acceleration/energy drift too large 3.57316351360784 - 11.0399025516856 split increased to 2 itime 623284 + acceleration/energy drift too large 3.77028861361857 + 11.6618188904552 split increased to 2 itime 845735 itsplit 1 - acceleration/energy drift too large 6.51212376695020 - 16.4470187761603 split increased to 2 itime 623992 + acceleration/energy drift too large 3.93731307191247 + 10.3570731231119 split increased to 2 itime 845742 itsplit 1 - acceleration/energy drift too large 11.5112229520201 - 47.7420705103172 split increased to 2 itime 625061 + acceleration/energy drift too large 6.77690029195726 + 16.4544130420051 split increased to 2 itime 846072 itsplit 1 - acceleration/energy drift too large 2.84191768254016 - 11.8704055174515 split increased to 2 itime 625062 + acceleration/energy drift too large 5.37345742277203 + 10.9478987632294 split increased to 2 itime 851275 itsplit 1 - acceleration/energy drift too large 2.38963857434066 - 17.1227200350575 split increased to 2 itime 625202 + acceleration/energy drift too large 4.16182393568173 + 10.9511961733471 split increased to 2 itime 853954 itsplit 1 - acceleration/energy drift too large 3.15468649133609 - 11.0545510277622 split increased to 2 itime 626338 + acceleration/energy drift too large 8.78794325347103 + 42.5222746105986 split increased to 2 itime 854063 itsplit 1 - acceleration/energy drift too large 8.41484172183330 - 39.7728346210958 split increased to 2 itime 626484 + acceleration/energy drift too large 6.06118199381852 + 17.1308611655635 split increased to 2 itime 854352 itsplit 1 - acceleration/energy drift too large 5.17975557333606 - 20.8879377082388 split increased to 2 itime 627187 + acceleration/energy drift too large 5.65592795192431 + 14.8508816410991 split increased to 2 itime 855139 itsplit 1 - acceleration/energy drift too large 4.32563097210714 - 12.7214110850306 split increased to 2 itime 627845 + acceleration/energy drift too large 4.31732146161154 + 12.0237786935408 split increased to 2 itime 855897 itsplit 1 - acceleration/energy drift too large 5.72519385479251 - 14.2079521774683 split increased to 2 itime 628147 + acceleration/energy drift too large 2.11890083164189 + 13.6398371612654 split increased to 2 itime 857176 itsplit 1 - acceleration/energy drift too large 3.15041265214688 - 13.3229627870387 split increased to 2 itime 628201 + acceleration/energy drift too large 5.27429184727652 + 10.5851496939040 split increased to 2 itime 858662 itsplit 1 - acceleration/energy drift too large 1.56911078218525 - 10.1520272384926 split increased to 2 itime 628259 + acceleration/energy drift too large 5.61930943363464 + 20.1521530640847 split increased to 2 itime 859365 itsplit 1 - acceleration/energy drift too large 5.43514594073498 - 27.9586512562069 split increased to 2 itime 628391 + acceleration/energy drift too large 3.08288564641486 + 12.1358042117614 split increased to 2 itime 861081 itsplit 1 - acceleration/energy drift too large 2.49825465329791 - 11.5826569348256 split increased to 2 itime 629720 + acceleration/energy drift too large 6.91619947579062 + 49.3098548076224 split increased to 2 itime 861264 itsplit 1 - acceleration/energy drift too large 1.77730857956000 - 10.1411844054756 split increased to 2 itime 629749 + acceleration/energy drift too large 5.38727465260426 + 13.2374522040566 split increased to 2 itime 863426 itsplit 1 - acceleration/energy drift too large 2.77029335537128 - 10.1796357188216 split increased to 2 itime 629849 + acceleration/energy drift too large 5.39003544515304 + 33.0444794455022 split increased to 2 itime 864140 itsplit 1 - acceleration/energy drift too large 5.77958538136666 - 40.8766887743410 split increased to 2 itime 633917 + acceleration/energy drift too large 4.93064701647301 + 14.2349057947620 split increased to 2 itime 864734 itsplit 1 - acceleration/energy drift too large 1.88144448230143 - 14.2637064350191 split increased to 2 itime 635772 + acceleration/energy drift too large 6.30306667302373 + 19.4690950459115 split increased to 2 itime 868328 itsplit 1 - acceleration/energy drift too large 4.85708982862033 - 17.3666863847327 split increased to 2 itime 635797 + acceleration/energy drift too large 3.17746244824330 + 10.5385535492896 split increased to 2 itime 868785 itsplit 1 - acceleration/energy drift too large 3.55146321580549 - 17.1834126790529 split increased to 2 itime 635798 + acceleration/energy drift too large 2.88701041329839 + 10.0650233930427 split increased to 2 itime 868816 itsplit 1 - acceleration/energy drift too large 3.66981776368006 - 11.6894397266654 split increased to 2 itime 635810 + acceleration/energy drift too large 2.88597847216602 + 10.4353554435539 split increased to 2 itime 868878 itsplit 1 - acceleration/energy drift too large 4.56604565392761 - 10.1426429243147 split increased to 2 itime 636472 + acceleration/energy drift too large 2.66208260031996 + 10.3756083999508 split increased to 2 itime 868992 itsplit 1 - acceleration/energy drift too large 6.13617227675648 - 11.3999939620802 split increased to 2 itime 636710 + acceleration/energy drift too large 3.84052652351550 + 11.5376282082245 split increased to 2 itime 869006 itsplit 1 - acceleration/energy drift too large 3.26669422548217 - 12.2932157764686 split increased to 2 itime 637150 + acceleration/energy drift too large 5.24811610152903 + 16.0725220913960 split increased to 2 itime 872858 itsplit 1 - acceleration/energy drift too large 6.28056261063517 - 17.4945844289190 split increased to 2 itime 637775 + acceleration/energy drift too large 2.04415916115678 + 11.6000945265094 split increased to 2 itime 876626 itsplit 1 - acceleration/energy drift too large 2.41428610136795 - 14.3477979053652 split increased to 2 itime 638602 + acceleration/energy drift too large 4.91667573608756 + 12.2529460280596 split increased to 2 itime 876696 itsplit 1 - acceleration/energy drift too large 3.76488202050720 - 14.4382862311066 split increased to 2 itime 638814 + acceleration/energy drift too large 1.98464299693557 + 12.3672973239493 split increased to 2 itime 880220 itsplit 1 - acceleration/energy drift too large 6.97287755725406 - 19.3639245743751 split increased to 2 itime 639150 + acceleration/energy drift too large 4.49269347994387 + 10.9164515956942 split increased to 2 itime 882114 itsplit 1 - acceleration/energy drift too large 3.38991473469239 - 10.8684027630085 split increased to 2 itime 639783 + acceleration/energy drift too large 3.50691198966475 + 12.2192361034298 split increased to 2 itime 882641 itsplit 1 - acceleration/energy drift too large 3.14810670305785 - 10.1212822720815 split increased to 2 itime 640070 + acceleration/energy drift too large 4.67092628161820 + 31.4015659810878 split increased to 2 itime 882749 itsplit 1 - acceleration/energy drift too large 4.27011376107737 - 17.4231912659989 split increased to 2 itime 641887 + acceleration/energy drift too large 3.60048047862597 + 14.2560887791626 split increased to 2 itime 883142 itsplit 1 - acceleration/energy drift too large 4.28406733010742 - 10.4413056285839 split increased to 2 itime 643579 + acceleration/energy drift too large 5.02588008943109 + 13.8107970171059 split increased to 2 itime 883587 itsplit 1 - acceleration/energy drift too large 2.22016379399136 - 10.3017664662474 split increased to 2 itime 643663 + acceleration/energy drift too large 4.59667298918522 + 10.3093389718401 split increased to 2 itime 884011 itsplit 1 - acceleration/energy drift too large 5.61748082695504 - 16.8716114529201 split increased to 2 itime 644009 + acceleration/energy drift too large 5.08063823468998 + 16.4090970757056 split increased to 2 itime 884446 itsplit 1 - acceleration/energy drift too large 3.04040585700705 - 11.0743266877611 split increased to 2 itime 644346 + acceleration/energy drift too large 4.41398440161052 + 12.8057265597627 split increased to 2 itime 887915 itsplit 1 - acceleration/energy drift too large 2.11636150081620 - 10.6676810829781 split increased to 2 itime 644349 + acceleration/energy drift too large 6.51304699074663 + 30.8992725213926 split increased to 2 itime 888333 itsplit 1 - acceleration/energy drift too large 4.21572061183930 - 12.9897704110125 split increased to 2 itime 644351 + acceleration/energy drift too large 2.32735689444735 + 12.6728165379389 split increased to 2 itime 890090 itsplit 1 - acceleration/energy drift too large 2.61165220512462 - 12.8561737788437 split increased to 2 itime 644426 + acceleration/energy drift too large 5.74306766095227 + 21.6139261527122 split increased to 2 itime 893159 itsplit 1 - acceleration/energy drift too large 3.65470321033608 - 13.1009573903030 split increased to 2 itime 644428 + acceleration/energy drift too large 4.31719594275417 + 15.1223402059815 split increased to 2 itime 893596 itsplit 1 - acceleration/energy drift too large 5.40754308168593 - 11.4013108590464 split increased to 2 itime 644436 + acceleration/energy drift too large 7.13433176598262 + 16.3572986251761 split increased to 2 itime 893901 itsplit 1 - acceleration/energy drift too large 3.34686269150225 - 10.7855866694973 split increased to 2 itime 644478 + acceleration/energy drift too large 2.39688308186256 + 13.2961484492678 split increased to 2 itime 895579 itsplit 1 - acceleration/energy drift too large 3.23594427010844 - 14.0943415362550 split increased to 2 itime 645003 + acceleration/energy drift too large 3.99835623740062 + 11.7749312853083 split increased to 2 itime 895583 itsplit 1 - acceleration/energy drift too large 3.14503191883026 - 15.0469644122339 split increased to 2 itime 645629 + acceleration/energy drift too large 3.04375529760310 + 10.3665733729487 split increased to 2 itime 895624 itsplit 1 - acceleration/energy drift too large 2.64583167655565 - 10.8687910937071 split increased to 2 itime 645631 + acceleration/energy drift too large 2.11992299941375 + 10.6935992947726 split increased to 2 itime 895872 itsplit 1 - acceleration/energy drift too large 5.63752233242512 - 12.0137010629574 split increased to 2 itime 645728 - itsplit 1 - acceleration/energy drift too large 5.18711766346389 - 26.3566914290766 split increased to 2 itime 646010 - itsplit 1 - acceleration/energy drift too large 3.94482941890949 - 13.3115438178681 split increased to 2 itime 646134 - itsplit 1 - acceleration/energy drift too large 4.92697061841718 - 17.9284063279215 split increased to 2 itime 646670 - itsplit 1 - acceleration/energy drift too large 6.04568413545419 - 23.4272322549534 split increased to 2 itime 647619 - itsplit 1 - acceleration/energy drift too large 7.50063448386302 - 14.3779638117336 split increased to 2 itime 648196 - itsplit 1 - acceleration/energy drift too large 6.11553057389858 - 23.0401669081451 split increased to 2 itime 649686 - itsplit 1 - acceleration/energy drift too large 3.87063805158429 - 14.4851308584698 split increased to 2 itime 651484 - itsplit 1 - acceleration/energy drift too large 3.59890573862720 - 12.3744284457339 split increased to 2 itime 651515 - itsplit 1 - acceleration/energy drift too large 5.78420517794347 - 14.7145788665756 split increased to 2 itime 654020 - itsplit 1 - acceleration/energy drift too large 4.34230622341031 - 11.6137855040690 split increased to 2 itime 654277 - itsplit 1 - acceleration/energy drift too large 5.00415104720316 - 11.0485429021889 split increased to 2 itime 654740 - itsplit 1 - acceleration/energy drift too large 8.47049960575022 - 43.3415503405915 split increased to 2 itime 655779 - itsplit 1 - acceleration/energy drift too large 4.01227580520334 - 11.0754398113316 split increased to 2 itime 657660 - itsplit 1 - acceleration/energy drift too large 4.10398906206596 - 11.1259163271343 split increased to 2 itime 657697 - itsplit 1 - acceleration/energy drift too large 5.43350283471342 - 13.3471259667419 split increased to 2 itime 658925 - itsplit 1 - acceleration/energy drift too large 3.19135645706183 - 14.3266717044445 split increased to 2 itime 659508 - itsplit 1 - acceleration/energy drift too large 15.6926574742908 - 105.848141537057 split increased to 2 itime 659544 - itsplit 1 - acceleration/energy drift too large 3.74457962674912 - 12.6854111073302 split increased to 2 itime 662805 - itsplit 1 - acceleration/energy drift too large 10.6704725334733 - 51.5470482473348 split increased to 2 itime 664496 - itsplit 1 - acceleration/energy drift too large 5.56116061051862 - 15.9552054922925 split increased to 2 itime 666266 - itsplit 1 - acceleration/energy drift too large 5.96219096304831 - 23.8293468354317 split increased to 2 itime 666795 - itsplit 1 - acceleration/energy drift too large 7.17702737918142 - 18.7939035559907 split increased to 2 itime 667683 - itsplit 1 - acceleration/energy drift too large 2.84195015687514 - 19.3639677954093 split increased to 2 itime 668093 - itsplit 1 - acceleration/energy drift too large 6.38928605742042 - 28.3493769783425 split increased to 2 itime 668189 - itsplit 1 - acceleration/energy drift too large 6.62488681400906 - 13.5916692277562 split increased to 2 itime 668345 - itsplit 1 - acceleration/energy drift too large 9.38050589471598 - 42.7686738358207 split increased to 2 itime 668630 - itsplit 1 - acceleration/energy drift too large 2.96751661653751 - 23.5784450885109 split increased to 2 itime 668847 - itsplit 1 - acceleration/energy drift too large 4.25831224583641 - 13.4544936558073 split increased to 2 itime 668884 - itsplit 1 - acceleration/energy drift too large 5.60113233697687 - 19.1615358473365 split increased to 2 itime 668975 - itsplit 1 - acceleration/energy drift too large 7.11672121900396 - 24.3779092282707 split increased to 2 itime 669056 - itsplit 1 - acceleration/energy drift too large 2.96653256684825 - 10.7541361214670 split increased to 2 itime 669851 - itsplit 1 - acceleration/energy drift too large 5.75243454543646 - 43.4722497253871 split increased to 2 itime 670470 - itsplit 1 - acceleration/energy drift too large 4.14559812046770 - 10.3852928549209 split increased to 2 itime 671136 - itsplit 1 - acceleration/energy drift too large 7.11844754540210 - 18.8372317089866 split increased to 2 itime 671334 - itsplit 1 - acceleration/energy drift too large 2.78453806687901 - 11.0557205532176 split increased to 2 itime 672281 - itsplit 1 - acceleration/energy drift too large 2.32529060264387 - 11.9168712684831 split increased to 2 itime 673557 - itsplit 1 - acceleration/energy drift too large 6.84818934480027 - 16.9630829925828 split increased to 2 itime 674550 - itsplit 1 - acceleration/energy drift too large 2.78671059012948 - 11.0965308119551 split increased to 2 itime 674869 - itsplit 1 - acceleration/energy drift too large 3.09257964479594 - 10.9424749915273 split increased to 2 itime 674906 - itsplit 1 - acceleration/energy drift too large 3.81782641669263 - 11.8048622376972 split increased to 2 itime 674972 - itsplit 1 - acceleration/energy drift too large 4.26644662786020 - 12.9583451547313 split increased to 2 itime 674986 - itsplit 1 - acceleration/energy drift too large 3.14381350593762 - 11.0387106927969 split increased to 2 itime 674989 - itsplit 1 - acceleration/energy drift too large 3.46738726033069 - 10.2918438383760 split increased to 2 itime 675710 - itsplit 1 - acceleration/energy drift too large 10.4913319815599 - 50.4996322186422 split increased to 2 itime 675817 - itsplit 1 - acceleration/energy drift too large 3.43277281526764 - 11.1787069996000 split increased to 2 itime 675818 - itsplit 1 - acceleration/energy drift too large 5.42834143330938 - 10.2310947688468 split increased to 2 itime 676559 - itsplit 1 - acceleration/energy drift too large 3.71053235282667 - 12.3722464589413 split increased to 2 itime 677680 - itsplit 1 - acceleration/energy drift too large 3.52485741782652 - 10.9235076500071 split increased to 2 itime 677698 - itsplit 1 - acceleration/energy drift too large 2.84117138902518 - 13.2713820529887 split increased to 2 itime 677699 - itsplit 1 - acceleration/energy drift too large 3.00565000510801 - 13.8765094221857 split increased to 2 itime 677725 - itsplit 1 - acceleration/energy drift too large 3.09583937341184 - 10.8874745252149 split increased to 2 itime 677891 - itsplit 1 - acceleration/energy drift too large 5.14961265402304 - 26.9426955829631 split increased to 2 itime 677976 - itsplit 1 - acceleration/energy drift too large 4.41966706868678 - 25.9226764661724 split increased to 2 itime 682107 - itsplit 1 - acceleration/energy drift too large 2.03080493105942 - 10.8756007901566 split increased to 2 itime 682958 - itsplit 1 - acceleration/energy drift too large 6.18784172241043 - 21.5969058413403 split increased to 2 itime 684248 - itsplit 1 - acceleration/energy drift too large 4.96805918080929 - 26.9211757022806 split increased to 2 itime 684579 - itsplit 1 - acceleration/energy drift too large 3.92791839357148 - 11.5827777846721 split increased to 2 itime 684677 - itsplit 1 - acceleration/energy drift too large 4.45092706737651 - 10.5514920967564 split increased to 2 itime 684678 - itsplit 1 - acceleration/energy drift too large 4.42239241717514 - 11.6394763854365 split increased to 2 itime 684711 - itsplit 1 - acceleration/energy drift too large 4.78845588990462 - 15.0909875222543 split increased to 2 itime 685139 - itsplit 1 - acceleration/energy drift too large 4.70840967651335 - 13.6617036603982 split increased to 2 itime 687171 - itsplit 1 - acceleration/energy drift too large 6.60645448616108 - 15.9465871620691 split increased to 2 itime 688847 - itsplit 1 - acceleration/energy drift too large 5.79658756408721 - 27.9641468553357 split increased to 2 itime 691819 - itsplit 1 - acceleration/energy drift too large 7.34434405238730 - 15.0884615818616 split increased to 2 itime 691967 - itsplit 1 - acceleration/energy drift too large 12.7542628484413 - 80.5915923751115 split increased to 2 itime 693464 - itsplit 1 - acceleration/energy drift too large 2.46152870737728 - 13.4416408581845 split increased to 4 itime 693464 - itsplit 2 - acceleration/energy drift too large 2.99850952849742 - 11.0402662848610 split increased to 2 itime 694782 - itsplit 1 - acceleration/energy drift too large 3.13891222207459 - 10.9763470731391 split increased to 2 itime 694928 - itsplit 1 - acceleration/energy drift too large 3.54422412850751 - 11.2574352582705 split increased to 2 itime 695881 - itsplit 1 - acceleration/energy drift too large 11.5392592464601 - 46.7179899087055 split increased to 2 itime 695988 - itsplit 1 - acceleration/energy drift too large 4.05589533491332 - 11.1019256833258 split increased to 2 itime 696360 - itsplit 1 - acceleration/energy drift too large 4.04016195933642 - 13.5565003538256 split increased to 2 itime 696543 - itsplit 1 - acceleration/energy drift too large 5.13055564882739 - 11.8403696111624 split increased to 2 itime 697755 - itsplit 1 - acceleration/energy drift too large 5.50811650581822 - 12.9188615726065 split increased to 2 itime 697815 - itsplit 1 - acceleration/energy drift too large 6.03386481305778 - 11.4818797012653 split increased to 2 itime 698157 - itsplit 1 - acceleration/energy drift too large 3.46978420741312 - 11.2490304784422 split increased to 2 itime 698237 - itsplit 1 - acceleration/energy drift too large 3.11200111551441 - 12.2792013043048 split increased to 2 itime 698243 - itsplit 1 - acceleration/energy drift too large 2.90222079265304 - 10.4687758492199 split increased to 2 itime 698261 - itsplit 1 - acceleration/energy drift too large 2.58037348929376 - 10.7597708647391 split increased to 2 itime 698454 - itsplit 1 - acceleration/energy drift too large 5.15051772916233 - 21.6713159081515 split increased to 2 itime 698846 - itsplit 1 - acceleration/energy drift too large 7.78160125270601 - 21.9741740914276 split increased to 2 itime 699904 - itsplit 1 - REMD synchro at 700000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 322.960937500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.28571 7 -ACC 2 260.00000 0.42857 7 -ACC 3 270.00000 0.85714 7 -ACC 4 280.00000 0.71429 7 -ACC 5 290.00000 0.42857 7 -ACC 6 300.00000 0.57143 7 -ACC 7 310.00000 0.71429 7 -ACC 8 320.00000 0.42857 7 -ACC 9 330.00000 0.85714 7 -ACC 10 340.00000 0.57143 7 -ACC 11 350.00000 0.85714 7 -ACC 12 360.00000 1.00000 7 -ACC 13 370.00000 0.85714 7 -ACC 14 380.00000 0.85714 7 -ACC 15 390.00000 0.85714 7 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 7.67693373168728 - 24.1237273929163 split increased to 2 itime 701245 - itsplit 1 - acceleration/energy drift too large 3.70141701639493 - 13.5071692432714 split increased to 2 itime 701596 - itsplit 1 - acceleration/energy drift too large 5.42025114790543 - 14.1633853438968 split increased to 2 itime 701665 - itsplit 1 - acceleration/energy drift too large 5.70090836673574 - 12.7432512900175 split increased to 2 itime 702231 - itsplit 1 - acceleration/energy drift too large 6.41962970923386 - 18.1228324529200 split increased to 2 itime 702261 - itsplit 1 - acceleration/energy drift too large 5.70369247956615 - 12.1345272424641 split increased to 2 itime 702317 - itsplit 1 - acceleration/energy drift too large 4.99368983948868 - 13.6507403658019 split increased to 2 itime 702915 - itsplit 1 - acceleration/energy drift too large 4.80387724893187 - 11.3535831649885 split increased to 2 itime 702977 - itsplit 1 - acceleration/energy drift too large 4.84815218398912 - 26.2012215109280 split increased to 2 itime 703860 - itsplit 1 - acceleration/energy drift too large 3.40230853486589 - 10.3808580064377 split increased to 2 itime 704284 - itsplit 1 - acceleration/energy drift too large 6.18406792382780 - 19.3731960630679 split increased to 2 itime 704439 - itsplit 1 - acceleration/energy drift too large 4.22152065382260 - 10.3554860217525 split increased to 2 itime 704563 - itsplit 1 - acceleration/energy drift too large 5.98985161238957 - 15.1169814450162 split increased to 2 itime 706420 - itsplit 1 - acceleration/energy drift too large 6.52829938471204 - 14.1991338194823 split increased to 2 itime 709486 - itsplit 1 - acceleration/energy drift too large 7.44100505555059 - 19.4360095997751 split increased to 2 itime 710561 - itsplit 1 - acceleration/energy drift too large 7.02527563370148 - 15.0028129813259 split increased to 2 itime 711098 - itsplit 1 - acceleration/energy drift too large 14.1855427496511 - 82.5938503147797 split increased to 2 itime 711400 - itsplit 1 - acceleration/energy drift too large 3.02373857449901 - 15.9856451770510 split increased to 4 itime 711400 - itsplit 2 - acceleration/energy drift too large 8.00576756258195 - 37.0922735172141 split increased to 2 itime 711967 - itsplit 1 - acceleration/energy drift too large 2.97947240339447 - 11.9195099704383 split increased to 2 itime 711968 - itsplit 1 - acceleration/energy drift too large 3.53077518477362 - 10.1731051412207 split increased to 2 itime 711979 - itsplit 1 - acceleration/energy drift too large 6.45885307375098 - 10.5905777248915 split increased to 2 itime 712012 - itsplit 1 - acceleration/energy drift too large 3.10522343325579 - 12.2926050583025 split increased to 2 itime 712026 - itsplit 1 - acceleration/energy drift too large 2.59567336009142 - 10.5758775917742 split increased to 2 itime 712035 - itsplit 1 - acceleration/energy drift too large 2.17888242670622 - 11.6247694970408 split increased to 2 itime 712037 - itsplit 1 - acceleration/energy drift too large 3.16259106123303 - 10.9432636237660 split increased to 2 itime 712042 - itsplit 1 - acceleration/energy drift too large 3.31087372888631 - 10.8791937658628 split increased to 2 itime 712046 - itsplit 1 - acceleration/energy drift too large 10.3458375493431 - 32.3780238895325 split increased to 2 itime 712125 - itsplit 1 - acceleration/energy drift too large 5.86857074771446 - 20.3830576473611 split increased to 2 itime 714226 - itsplit 1 - acceleration/energy drift too large 3.20625702190267 - 11.0927040513228 split increased to 2 itime 714903 - itsplit 1 - acceleration/energy drift too large 3.52591110431903 - 10.3232100039911 split increased to 2 itime 714991 - itsplit 1 - acceleration/energy drift too large 4.29690479572332 - 12.6104734079862 split increased to 2 itime 715497 - itsplit 1 - acceleration/energy drift too large 5.67658744590807 - 22.4815653910135 split increased to 2 itime 716535 - itsplit 1 - acceleration/energy drift too large 2.49489556564882 - 12.7901200730504 split increased to 2 itime 717943 - itsplit 1 - acceleration/energy drift too large 4.51116503543109 - 10.9633239375317 split increased to 2 itime 718613 - itsplit 1 - acceleration/energy drift too large 7.25611325215267 - 14.6787223409925 split increased to 2 itime 718630 - itsplit 1 - acceleration/energy drift too large 3.80220383524772 - 10.4316763575174 split increased to 2 itime 719612 - itsplit 1 - acceleration/energy drift too large 2.60738127087796 - 13.4034967885825 split increased to 2 itime 720142 - itsplit 1 - acceleration/energy drift too large 7.80423135416967 - 22.7294286094576 split increased to 2 itime 721691 - itsplit 1 - acceleration/energy drift too large 4.07736072370749 - 11.5998014061472 split increased to 2 itime 725105 - itsplit 1 - acceleration/energy drift too large 6.71553531695080 - 15.2840594735351 split increased to 2 itime 726182 - itsplit 1 - acceleration/energy drift too large 5.78871960937658 - 10.0855625268078 split increased to 2 itime 727748 - itsplit 1 - acceleration/energy drift too large 6.47135344389304 - 10.8376946865450 split increased to 2 itime 729121 - itsplit 1 - acceleration/energy drift too large 3.96660848908059 - 10.9460928829030 split increased to 2 itime 729754 - itsplit 1 - acceleration/energy drift too large 6.38377250999456 - 15.5227734474289 split increased to 2 itime 731350 - itsplit 1 - acceleration/energy drift too large 6.30769875604458 - 29.7063094015699 split increased to 2 itime 733510 - itsplit 1 - acceleration/energy drift too large 5.60403673524231 - 10.2451811084433 split increased to 2 itime 734585 - itsplit 1 - acceleration/energy drift too large 7.74578195276920 - 21.9217641024811 split increased to 2 itime 735372 - itsplit 1 - acceleration/energy drift too large 7.65156556232088 - 39.2870553090929 split increased to 2 itime 735805 - itsplit 1 - acceleration/energy drift too large 13.1036493311469 - 64.5194457613362 split increased to 2 itime 735878 - itsplit 1 - acceleration/energy drift too large 8.03550604767881 - 27.5512115358554 split increased to 2 itime 736696 - itsplit 1 - acceleration/energy drift too large 2.13410170309005 - 11.1280779627393 split increased to 2 itime 737062 - itsplit 1 - acceleration/energy drift too large 2.92626022518308 - 10.7335475621378 split increased to 2 itime 737186 - itsplit 1 - acceleration/energy drift too large 3.99308738754948 - 10.6461559488601 split increased to 2 itime 737283 - itsplit 1 - acceleration/energy drift too large 5.04568024826091 - 13.5694283221621 split increased to 2 itime 738619 - itsplit 1 - acceleration/energy drift too large 5.86393931888985 - 18.0353050315433 split increased to 2 itime 738663 - itsplit 1 - acceleration/energy drift too large 6.26300414317011 - 17.9368029758824 split increased to 2 itime 738922 - itsplit 1 - acceleration/energy drift too large 15.7386912377863 - 85.8323024698531 split increased to 2 itime 739352 - itsplit 1 - acceleration/energy drift too large 5.70540717392154 - 10.7064583112147 split increased to 2 itime 741037 - itsplit 1 - acceleration/energy drift too large 5.02707304724525 - 10.9263051415674 split increased to 2 itime 741409 - itsplit 1 - acceleration/energy drift too large 4.55418400154935 - 11.0519524776125 split increased to 2 itime 741657 - itsplit 1 - acceleration/energy drift too large 4.40120022078553 - 10.7840174457438 split increased to 2 itime 742409 - itsplit 1 - acceleration/energy drift too large 3.49598266152534 - 10.2888290195464 split increased to 2 itime 743474 - itsplit 1 - acceleration/energy drift too large 5.79212293108706 - 14.1692671678362 split increased to 2 itime 743740 - itsplit 1 - acceleration/energy drift too large 6.90200817537947 - 22.4679264380568 split increased to 2 itime 744079 - itsplit 1 - acceleration/energy drift too large 4.58759186475465 - 11.1906886435218 split increased to 2 itime 744972 - itsplit 1 - acceleration/energy drift too large 2.45412545712617 - 10.6991323564660 split increased to 2 itime 745687 - itsplit 1 - acceleration/energy drift too large 3.09606404432747 - 12.1720443565747 split increased to 2 itime 745693 - itsplit 1 - acceleration/energy drift too large 4.93672595818167 - 13.3116754922214 split increased to 2 itime 745699 - itsplit 1 - acceleration/energy drift too large 4.03111552847982 - 13.3261015626339 split increased to 2 itime 745700 - itsplit 1 - acceleration/energy drift too large 3.76510953364186 - 11.1713528681514 split increased to 2 itime 745705 - itsplit 1 - acceleration/energy drift too large 3.25602726839117 - 10.3976746916524 split increased to 2 itime 745706 - itsplit 1 - acceleration/energy drift too large 4.63032354681333 - 10.5154695424574 split increased to 2 itime 745711 - itsplit 1 - acceleration/energy drift too large 2.45168970313745 - 11.6217643206997 split increased to 2 itime 745712 - itsplit 1 - acceleration/energy drift too large 3.80690909274420 - 10.5121288255766 split increased to 2 itime 745721 - itsplit 1 - acceleration/energy drift too large 2.50800793019837 - 12.5593781109587 split increased to 2 itime 745722 - itsplit 1 - acceleration/energy drift too large 4.12205646477794 - 23.0133680450809 split increased to 2 itime 745748 - itsplit 1 - acceleration/energy drift too large 2.67452076574035 - 12.7364668707452 split increased to 2 itime 745796 - itsplit 1 - acceleration/energy drift too large 4.46069689362339 - 12.9543955162033 split increased to 2 itime 746470 - itsplit 1 - acceleration/energy drift too large 4.74143454849152 - 25.9792971068702 split increased to 2 itime 746940 - itsplit 1 - acceleration/energy drift too large 5.64747556462134 - 18.7088364788445 split increased to 2 itime 747050 - itsplit 1 - acceleration/energy drift too large 6.50372641883856 - 10.7286537133522 split increased to 2 itime 748041 - itsplit 1 - acceleration/energy drift too large 3.50328502467386 - 10.0819814159402 split increased to 2 itime 748634 - itsplit 1 - acceleration/energy drift too large 5.98542816266550 - 44.4350077646519 split increased to 2 itime 750329 - itsplit 1 - acceleration/energy drift too large 4.96959827825780 - 13.6047878842284 split increased to 2 itime 750400 - itsplit 1 - acceleration/energy drift too large 5.69210977007772 - 22.2032936642117 split increased to 2 itime 750410 - itsplit 1 - acceleration/energy drift too large 3.61753060267092 - 11.1537612235400 split increased to 2 itime 750756 - itsplit 1 - acceleration/energy drift too large 5.59536493800176 - 12.2377402079186 split increased to 2 itime 750928 - itsplit 1 - acceleration/energy drift too large 6.24720969307592 - 13.4875994837579 split increased to 2 itime 751132 - itsplit 1 - acceleration/energy drift too large 8.21141769585898 - 14.1896626414601 split increased to 2 itime 752259 - itsplit 1 - acceleration/energy drift too large 9.77524845978073 - 42.6220058267745 split increased to 2 itime 753221 - itsplit 1 - acceleration/energy drift too large 1.84685213338546 - 10.3496423608187 split increased to 2 itime 753525 - itsplit 1 - acceleration/energy drift too large 9.22270321506639 - 25.2710535780667 split increased to 2 itime 753614 - itsplit 1 - acceleration/energy drift too large 6.52028876874031 - 14.1106013137772 split increased to 2 itime 753674 - itsplit 1 - acceleration/energy drift too large 3.67666028479680 - 10.6050651911700 split increased to 2 itime 753685 - itsplit 1 - acceleration/energy drift too large 7.26824092206445 - 17.7543895805536 split increased to 2 itime 754121 - itsplit 1 - acceleration/energy drift too large 5.01464102064850 - 15.4528568822113 split increased to 2 itime 754448 - itsplit 1 - acceleration/energy drift too large 9.09844433917664 - 38.9752006203633 split increased to 2 itime 755884 - itsplit 1 - acceleration/energy drift too large 6.01531015133781 - 10.0545443269525 split increased to 2 itime 755901 - itsplit 1 - acceleration/energy drift too large 4.17484418621209 - 14.9229895447139 split increased to 2 itime 756554 - itsplit 1 - acceleration/energy drift too large 13.4314948936223 - 73.7742242639879 split increased to 2 itime 756685 - itsplit 1 - acceleration/energy drift too large 3.03926955981248 - 12.9649321954077 split increased to 2 itime 756751 - itsplit 1 - acceleration/energy drift too large 4.42042334789526 - 21.7677925114445 split increased to 2 itime 757175 - itsplit 1 - acceleration/energy drift too large 3.67847480584180 - 13.1023199337107 split increased to 2 itime 757279 - itsplit 1 - acceleration/energy drift too large 4.83265619975315 - 28.3895718590283 split increased to 2 itime 757373 - itsplit 1 - acceleration/energy drift too large 6.31075762385391 - 14.0024712168185 split increased to 2 itime 757975 - itsplit 1 - acceleration/energy drift too large 5.39729641996846 - 13.4770574622785 split increased to 2 itime 758845 - itsplit 1 - acceleration/energy drift too large 6.08739368073622 - 11.3872837486485 split increased to 2 itime 759617 - itsplit 1 - acceleration/energy drift too large 6.06924829752163 - 10.5139002491992 split increased to 2 itime 759869 - itsplit 1 - acceleration/energy drift too large 10.0358321986919 - 42.9751258620576 split increased to 2 itime 760725 - itsplit 1 - acceleration/energy drift too large 6.33389184118657 - 27.2493625922361 split increased to 2 itime 761520 - itsplit 1 - acceleration/energy drift too large 4.52025850388525 - 15.3945548151860 split increased to 2 itime 761578 - itsplit 1 - acceleration/energy drift too large 4.86115593693149 - 14.1505421234693 split increased to 2 itime 761692 - itsplit 1 - acceleration/energy drift too large 4.36307085092651 - 12.2927555005073 split increased to 2 itime 764074 - itsplit 1 - acceleration/energy drift too large 3.34934527579133 - 10.8475137878093 split increased to 2 itime 764629 - itsplit 1 - acceleration/energy drift too large 6.34480456536962 - 10.7956286950525 split increased to 2 itime 767353 - itsplit 1 - acceleration/energy drift too large 5.55834788263006 - 14.8662955025150 split increased to 2 itime 767531 - itsplit 1 - acceleration/energy drift too large 2.56201930535272 - 11.1633121815251 split increased to 2 itime 767880 - itsplit 1 - acceleration/energy drift too large 3.49891886646377 - 11.5064490449159 split increased to 2 itime 768489 - itsplit 1 - acceleration/energy drift too large 5.18844452378051 - 11.1598012519384 split increased to 2 itime 768657 - itsplit 1 - acceleration/energy drift too large 3.58604256620870 - 10.5143122482924 split increased to 2 itime 770276 - itsplit 1 - acceleration/energy drift too large 5.61159347898122 - 27.8469654045657 split increased to 2 itime 770842 - itsplit 1 - acceleration/energy drift too large 3.66638960197182 - 10.5134243469797 split increased to 2 itime 770919 - itsplit 1 - acceleration/energy drift too large 5.22527499195706 - 16.8568801626654 split increased to 2 itime 771317 - itsplit 1 - acceleration/energy drift too large 8.23835040614746 - 24.4445408670267 split increased to 2 itime 772069 - itsplit 1 - acceleration/energy drift too large 5.60534708177324 - 16.5155955512879 split increased to 2 itime 772077 - itsplit 1 - acceleration/energy drift too large 2.16577471529202 - 10.8638965223602 split increased to 2 itime 772086 - itsplit 1 - acceleration/energy drift too large 9.44623318716847 - 52.6142165728350 split increased to 2 itime 772526 - itsplit 1 - acceleration/energy drift too large 4.50149061567923 - 11.6465363066261 split increased to 2 itime 772849 - itsplit 1 - acceleration/energy drift too large 4.89826557197858 - 12.1611909109722 split increased to 2 itime 773293 - itsplit 1 - acceleration/energy drift too large 8.18509310463007 - 28.6211660927462 split increased to 2 itime 773506 - itsplit 1 - acceleration/energy drift too large 4.16541929294415 - 13.0204317194826 split increased to 2 itime 774194 - itsplit 1 - acceleration/energy drift too large 4.35435960684535 - 21.7776278648852 split increased to 2 itime 775284 - itsplit 1 - acceleration/energy drift too large 7.03806919634548 - 13.1006382165286 split increased to 2 itime 775401 - itsplit 1 - acceleration/energy drift too large 2.40563471508530 - 10.3388793359430 split increased to 2 itime 775846 - itsplit 1 - acceleration/energy drift too large 5.58993572590834 - 30.5894504981069 split increased to 2 itime 776142 - itsplit 1 - acceleration/energy drift too large 4.48117843666976 - 10.3863140520066 split increased to 2 itime 777067 - itsplit 1 - acceleration/energy drift too large 3.42984690304796 - 10.6466971142419 split increased to 2 itime 777438 - itsplit 1 - acceleration/energy drift too large 4.82029102235178 - 12.3239482835159 split increased to 2 itime 778126 - itsplit 1 - acceleration/energy drift too large 3.92476209145837 - 10.7037756953433 split increased to 2 itime 778185 - itsplit 1 - acceleration/energy drift too large 4.08100790471550 - 11.8144746437774 split increased to 2 itime 778255 - itsplit 1 - acceleration/energy drift too large 4.19595246813170 - 14.1947541642338 split increased to 2 itime 778581 - itsplit 1 - acceleration/energy drift too large 4.21454612473273 - 10.6227921890626 split increased to 2 itime 780022 - itsplit 1 - acceleration/energy drift too large 12.7610820438975 - 70.8239994405717 split increased to 2 itime 780961 - itsplit 1 - acceleration/energy drift too large 3.89419021152976 - 12.4767958504078 split increased to 2 itime 781975 - itsplit 1 - acceleration/energy drift too large 7.23380226455558 - 11.9274630218122 split increased to 2 itime 782439 - itsplit 1 - acceleration/energy drift too large 3.42629004025162 - 18.9632603351908 split increased to 2 itime 782539 - itsplit 1 - acceleration/energy drift too large 3.17049733668923 - 11.3216458297090 split increased to 2 itime 783051 - itsplit 1 - acceleration/energy drift too large 2.44267397421486 - 10.7037853306520 split increased to 2 itime 783127 - itsplit 1 - acceleration/energy drift too large 3.12204008590109 - 12.9413112354340 split increased to 2 itime 783210 - itsplit 1 - acceleration/energy drift too large 2.48250608421142 - 11.0174862327443 split increased to 2 itime 783445 - itsplit 1 - acceleration/energy drift too large 5.88708087682455 - 28.0768861122120 split increased to 2 itime 783591 - itsplit 1 - acceleration/energy drift too large 7.24986224764226 - 10.3515213314858 split increased to 2 itime 783767 - itsplit 1 - acceleration/energy drift too large 6.54600055625214 - 11.4819804970839 split increased to 2 itime 784030 - itsplit 1 - acceleration/energy drift too large 5.04240038675136 - 24.1460919751378 split increased to 2 itime 784694 - itsplit 1 - acceleration/energy drift too large 3.01373026067213 - 10.7767738577907 split increased to 2 itime 785741 - itsplit 1 - acceleration/energy drift too large 4.28482909191225 - 12.7389665780554 split increased to 2 itime 785814 - itsplit 1 - acceleration/energy drift too large 4.94908585342703 - 25.1125456468146 split increased to 2 itime 786080 - itsplit 1 - acceleration/energy drift too large 8.44809765600119 - 22.6096056439088 split increased to 2 itime 786462 - itsplit 1 - acceleration/energy drift too large 4.79356000738812 - 13.2182478580400 split increased to 2 itime 787642 - itsplit 1 - acceleration/energy drift too large 3.99990082838877 - 25.1032520125746 split increased to 2 itime 787681 - itsplit 1 - acceleration/energy drift too large 7.83460905571834 - 31.0913027418259 split increased to 2 itime 787819 - itsplit 1 - acceleration/energy drift too large 3.60735783275961 - 13.0515291742615 split increased to 2 itime 787962 - itsplit 1 - acceleration/energy drift too large 2.18082555082890 - 14.8595968853764 split increased to 2 itime 789618 - itsplit 1 - acceleration/energy drift too large 6.30940218088089 - 15.6898930123500 split increased to 2 itime 789956 - itsplit 1 - acceleration/energy drift too large 2.64014415692489 - 12.9123858455282 split increased to 2 itime 790387 - itsplit 1 - acceleration/energy drift too large 5.18245678023443 - 11.3387144277993 split increased to 2 itime 792660 - itsplit 1 - acceleration/energy drift too large 3.26574007618713 - 10.5120624486394 split increased to 2 itime 792802 - itsplit 1 - acceleration/energy drift too large 5.50674861139060 - 15.6410141351750 split increased to 2 itime 793441 - itsplit 1 - acceleration/energy drift too large 6.22570040997193 - 20.8461783454793 split increased to 2 itime 793518 - itsplit 1 - acceleration/energy drift too large 5.23734612315566 - 26.5574521169231 split increased to 2 itime 793598 - itsplit 1 - acceleration/energy drift too large 6.32120889537809 - 24.0447091089204 split increased to 2 itime 796225 - itsplit 1 - acceleration/energy drift too large 4.48294604777980 - 10.1340889216009 split increased to 2 itime 796672 - itsplit 1 - acceleration/energy drift too large 5.16718566284802 - 12.5060376200070 split increased to 2 itime 798148 - itsplit 1 - acceleration/energy drift too large 5.07145933637771 - 10.8826529480215 split increased to 2 itime 799094 - itsplit 1 - acceleration/energy drift too large 3.90656914531441 - 11.1030841391892 split increased to 2 itime 799119 - itsplit 1 - REMD synchro at 800000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 370.496093750000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 7.812500000000000E-003 - NREP 16 -ACC 1 250.00000 0.25000 8 -ACC 2 260.00000 0.37500 8 -ACC 3 270.00000 0.75000 8 -ACC 4 280.00000 0.75000 8 -ACC 5 290.00000 0.50000 8 -ACC 6 300.00000 0.62500 8 -ACC 7 310.00000 0.62500 8 -ACC 8 320.00000 0.50000 8 -ACC 9 330.00000 0.75000 8 -ACC 10 340.00000 0.62500 8 -ACC 11 350.00000 0.87500 8 -ACC 12 360.00000 1.00000 8 -ACC 13 370.00000 0.87500 8 -ACC 14 380.00000 0.87500 8 -ACC 15 390.00000 0.87500 8 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 7.00874419332574 - 11.7928727927577 split increased to 2 itime 800844 - itsplit 1 - acceleration/energy drift too large 5.48212987209708 - 12.8874461482489 split increased to 2 itime 800847 - itsplit 1 - acceleration/energy drift too large 4.16947079575155 - 10.1179677518621 split increased to 2 itime 801336 - itsplit 1 - acceleration/energy drift too large 6.95074410464138 - 29.6811686721023 split increased to 2 itime 801947 - itsplit 1 - acceleration/energy drift too large 2.26059134446932 - 10.5428305146469 split increased to 2 itime 801955 - itsplit 1 - acceleration/energy drift too large 3.94848645013882 - 10.3174100821401 split increased to 2 itime 802410 - itsplit 1 - acceleration/energy drift too large 4.94887279968273 - 24.0430930357369 split increased to 2 itime 803315 - itsplit 1 - acceleration/energy drift too large 3.43007277388161 - 10.4928724105443 split increased to 2 itime 803416 - itsplit 1 - acceleration/energy drift too large 2.62307662980029 - 11.3763125463274 split increased to 2 itime 803808 - itsplit 1 - acceleration/energy drift too large 5.22245524396191 - 12.2453522620729 split increased to 2 itime 804093 - itsplit 1 - acceleration/energy drift too large 5.07678130998138 - 14.6826879593809 split increased to 2 itime 804379 - itsplit 1 - acceleration/energy drift too large 3.86170938085748 - 12.0951980097739 split increased to 2 itime 804631 - itsplit 1 - acceleration/energy drift too large 2.40560004492529 - 11.1392564347698 split increased to 2 itime 805809 - itsplit 1 - acceleration/energy drift too large 6.79702350550384 - 15.7639510723697 split increased to 2 itime 806039 - itsplit 1 - acceleration/energy drift too large 5.80387210696143 - 11.1455034134655 split increased to 2 itime 806335 - itsplit 1 - acceleration/energy drift too large 2.93268027785670 - 10.0946670791062 split increased to 2 itime 806630 - itsplit 1 - acceleration/energy drift too large 4.49279514477409 - 11.8662741368005 split increased to 2 itime 806925 - itsplit 1 - acceleration/energy drift too large 5.89493658208943 - 20.5159720031418 split increased to 2 itime 806954 - itsplit 1 - acceleration/energy drift too large 2.70216728389105 - 10.6436735562412 split increased to 2 itime 807066 - itsplit 1 - acceleration/energy drift too large 6.39691890840453 - 17.0104981546665 split increased to 2 itime 808059 - itsplit 1 - acceleration/energy drift too large 7.71926878327052 - 22.0406409329511 split increased to 2 itime 808287 - itsplit 1 - acceleration/energy drift too large 4.15538326474735 - 10.3022360068986 split increased to 2 itime 808414 - itsplit 1 - acceleration/energy drift too large 2.84906508870924 - 10.5384962048677 split increased to 2 itime 808526 - itsplit 1 - acceleration/energy drift too large 8.19033207613670 - 32.3593231191301 split increased to 2 itime 809154 - itsplit 1 - acceleration/energy drift too large 4.96620225334037 - 10.9317530489191 split increased to 2 itime 809725 - itsplit 1 - acceleration/energy drift too large 2.11571479969588 - 16.5633312380871 split increased to 2 itime 809726 - itsplit 1 - acceleration/energy drift too large 5.81049751454704 - 10.0525265062096 split increased to 2 itime 809752 - itsplit 1 - acceleration/energy drift too large 5.89420621054208 - 14.6581712435127 split increased to 2 itime 812167 - itsplit 1 - acceleration/energy drift too large 4.75385495074558 - 11.8977459709943 split increased to 2 itime 812389 - itsplit 1 - acceleration/energy drift too large 2.98776346131107 - 11.5943357089453 split increased to 2 itime 812507 - itsplit 1 - acceleration/energy drift too large 4.95147579220744 - 16.1983279891554 split increased to 2 itime 812511 - itsplit 1 - acceleration/energy drift too large 3.88365142846843 - 11.0390231340874 split increased to 2 itime 812515 - itsplit 1 - acceleration/energy drift too large 4.09988714279213 - 13.1055538103892 split increased to 2 itime 812517 - itsplit 1 - acceleration/energy drift too large 6.34797582926906 - 11.1015238302197 split increased to 2 itime 812518 - itsplit 1 - acceleration/energy drift too large 4.83892869958561 - 10.9427817634710 split increased to 2 itime 812519 - itsplit 1 - acceleration/energy drift too large 6.80972917741192 - 17.3814587367973 split increased to 2 itime 812520 - itsplit 1 - acceleration/energy drift too large 6.94801251830922 - 10.9277505844337 split increased to 2 itime 812533 - itsplit 1 - acceleration/energy drift too large 4.27703035807486 - 11.6223878054437 split increased to 2 itime 812534 - itsplit 1 - acceleration/energy drift too large 2.85030171802465 - 10.4814606965340 split increased to 2 itime 812536 - itsplit 1 - acceleration/energy drift too large 3.27566582386351 - 11.9845752117410 split increased to 2 itime 812538 - itsplit 1 - acceleration/energy drift too large 8.36993482940105 - 16.2033036014972 split increased to 2 itime 812539 - itsplit 1 - acceleration/energy drift too large 3.76237492574818 - 13.3170942538107 split increased to 2 itime 812540 - itsplit 1 - acceleration/energy drift too large 9.09532383885328 - 10.7670101878133 split increased to 2 itime 812541 - itsplit 1 - acceleration/energy drift too large 7.46327013623261 - 12.2839595062642 split increased to 2 itime 812543 - itsplit 1 - acceleration/energy drift too large 6.99705103460901 - 12.1970115863992 split increased to 2 itime 812546 - itsplit 1 - acceleration/energy drift too large 5.81756467300030 - 16.1939118975046 split increased to 2 itime 812547 - itsplit 1 - acceleration/energy drift too large 4.88575722328227 - 11.8625218716678 split increased to 2 itime 812549 - itsplit 1 - acceleration/energy drift too large 4.37082259349211 - 11.8772985651605 split increased to 2 itime 812566 - itsplit 1 - acceleration/energy drift too large 4.25891772704183 - 11.0596738254167 split increased to 2 itime 812569 - itsplit 1 - acceleration/energy drift too large 3.20389294651978 - 11.3227943135040 split increased to 2 itime 812572 - itsplit 1 - acceleration/energy drift too large 4.20033920562432 - 13.9436864452807 split increased to 2 itime 812587 - itsplit 1 - acceleration/energy drift too large 3.85488419016136 - 10.4463818007158 split increased to 2 itime 812588 - itsplit 1 - acceleration/energy drift too large 6.29599060582108 - 12.8973197807973 split increased to 2 itime 812589 - itsplit 1 - acceleration/energy drift too large 2.88312501234058 - 21.3274466034748 split increased to 2 itime 812590 - itsplit 1 - acceleration/energy drift too large 5.60764749214454 - 12.5038810715876 split increased to 2 itime 812595 - itsplit 1 - acceleration/energy drift too large 2.49515048632687 - 14.8257375339564 split increased to 2 itime 812596 - itsplit 1 - acceleration/energy drift too large 4.48550660045508 - 17.6842290976632 split increased to 2 itime 812601 - itsplit 1 - acceleration/energy drift too large 7.06702688097685 - 17.2908141721943 split increased to 2 itime 812603 - itsplit 1 - acceleration/energy drift too large 4.32775991615218 - 12.7211088670147 split increased to 2 itime 812604 - itsplit 1 - acceleration/energy drift too large 0.935564238931949 - 14.6459186881543 split increased to 2 itime 812605 - itsplit 1 - acceleration/energy drift too large 5.89199758682255 - 21.4233095195048 split increased to 2 itime 812606 - itsplit 1 - acceleration/energy drift too large 2.04044513989702 - 13.1001761100977 split increased to 2 itime 812607 - itsplit 1 - acceleration/energy drift too large 5.14968790263987 - 30.6525410747142 split increased to 2 itime 812608 - itsplit 1 - acceleration/energy drift too large 2.36119284293048 - 12.5768927669923 split increased to 2 itime 812610 - itsplit 1 - acceleration/energy drift too large 6.44889152031446 - 10.0132481529125 split increased to 2 itime 812645 - itsplit 1 - acceleration/energy drift too large 3.29783083960402 - 10.5098220501895 split increased to 2 itime 812657 - itsplit 1 - acceleration/energy drift too large 5.78758392338955 - 10.1471847680077 split increased to 2 itime 812658 - itsplit 1 - acceleration/energy drift too large 3.95293678860637 - 10.7906718109920 split increased to 2 itime 812671 - itsplit 1 - acceleration/energy drift too large 7.26410647102752 - 10.8497842102584 split increased to 2 itime 812672 - itsplit 1 - acceleration/energy drift too large 2.53345349215956 - 10.3146737372451 split increased to 2 itime 812673 - itsplit 1 - acceleration/energy drift too large 3.45613499536568 - 13.2075296814665 split increased to 2 itime 812677 - itsplit 1 - acceleration/energy drift too large 5.67890986310270 - 11.2624654939905 split increased to 2 itime 812687 - itsplit 1 - acceleration/energy drift too large 11.5718914271891 - 54.6201412977802 split increased to 2 itime 813231 - itsplit 1 - acceleration/energy drift too large 6.12215674065355 - 18.6080611093957 split increased to 2 itime 813444 - itsplit 1 - acceleration/energy drift too large 3.77266227337732 - 12.0964051369900 split increased to 2 itime 813638 - itsplit 1 - acceleration/energy drift too large 5.25238756965157 - 27.3753066087260 split increased to 2 itime 813820 - itsplit 1 - acceleration/energy drift too large 3.00575369245689 - 11.9234250122996 split increased to 2 itime 813821 - itsplit 1 - acceleration/energy drift too large 2.53192765048627 - 12.1074606544967 split increased to 2 itime 814055 - itsplit 1 - acceleration/energy drift too large 3.14288481373735 - 10.6466051797086 split increased to 2 itime 814078 - itsplit 1 - acceleration/energy drift too large 5.86503429324581 - 16.3187558107524 split increased to 2 itime 814908 - itsplit 1 - acceleration/energy drift too large 2.62665869268094 - 10.7361665575066 split increased to 2 itime 815054 - itsplit 1 - acceleration/energy drift too large 2.81468178800057 - 10.2518056377133 split increased to 2 itime 815123 - itsplit 1 - acceleration/energy drift too large 2.85670796300021 - 11.9369025884533 split increased to 2 itime 815131 - itsplit 1 - acceleration/energy drift too large 3.38217495559488 - 10.3562324355808 split increased to 2 itime 815133 - itsplit 1 - acceleration/energy drift too large 5.04987621818505 - 13.2539124852317 split increased to 2 itime 815137 - itsplit 1 - acceleration/energy drift too large 1.92011237154170 - 11.1454740764388 split increased to 2 itime 815139 - itsplit 1 - acceleration/energy drift too large 4.98147837857836 - 25.8624476209148 split increased to 2 itime 815140 - itsplit 1 - acceleration/energy drift too large 2.24467282621724 - 13.3174433533401 split increased to 2 itime 815142 - itsplit 1 - acceleration/energy drift too large 4.35586542760392 - 14.0528266494940 split increased to 2 itime 815143 - itsplit 1 - acceleration/energy drift too large 3.18653464221902 - 14.8054011496486 split increased to 2 itime 815144 - itsplit 1 - acceleration/energy drift too large 5.10028971898280 - 20.7399663926812 split increased to 2 itime 815145 - itsplit 1 - acceleration/energy drift too large 3.30755007654971 - 20.0088934777680 split increased to 2 itime 815146 - itsplit 1 - acceleration/energy drift too large 4.65796131488309 - 10.3780577969725 split increased to 2 itime 815147 - itsplit 1 - acceleration/energy drift too large 3.53670572123950 - 17.5414983032270 split increased to 2 itime 815148 - itsplit 1 - acceleration/energy drift too large 3.49005012077210 - 12.4108579800016 split increased to 2 itime 815150 - itsplit 1 - acceleration/energy drift too large 5.01104340795641 - 12.9175248524647 split increased to 2 itime 815156 - itsplit 1 - acceleration/energy drift too large 4.27680571677470 - 11.4022338553319 split increased to 2 itime 815157 - itsplit 1 - acceleration/energy drift too large 2.62682496002573 - 12.2490248953596 split increased to 2 itime 815165 - itsplit 1 - acceleration/energy drift too large 4.79753056160971 - 13.5888371274031 split increased to 2 itime 815166 - itsplit 1 - acceleration/energy drift too large 2.63175651272074 - 13.5080351333851 split increased to 2 itime 815167 - itsplit 1 - acceleration/energy drift too large 4.32491454824182 - 14.9087809619751 split increased to 2 itime 815168 - itsplit 1 - acceleration/energy drift too large 3.43031972989974 - 11.7786368364853 split increased to 2 itime 815169 - itsplit 1 - acceleration/energy drift too large 4.46420782384470 - 14.5289292470864 split increased to 2 itime 815170 - itsplit 1 - acceleration/energy drift too large 2.94053539323129 - 11.5960620315047 split increased to 2 itime 815185 - itsplit 1 - acceleration/energy drift too large 2.40704029263305 - 13.3763005697942 split increased to 2 itime 815186 - itsplit 1 - acceleration/energy drift too large 2.63837275012449 - 10.8701207489383 split increased to 2 itime 815188 - itsplit 1 - acceleration/energy drift too large 6.01612773097490 - 11.6213973695546 split increased to 2 itime 815193 - itsplit 1 - acceleration/energy drift too large 2.90916866675405 - 10.4302031107817 split increased to 2 itime 815533 - itsplit 1 - acceleration/energy drift too large 4.82037096144498 - 18.9357308285184 split increased to 2 itime 815860 - itsplit 1 - acceleration/energy drift too large 5.07233349210316 - 30.9946115176401 split increased to 2 itime 816721 - itsplit 1 - acceleration/energy drift too large 7.87591376409342 - 22.7894410786373 split increased to 2 itime 817047 - itsplit 1 - acceleration/energy drift too large 2.65370291747673 - 21.2372518445875 split increased to 2 itime 818273 - itsplit 1 - acceleration/energy drift too large 4.07897898704942 - 21.9699538435856 split increased to 2 itime 818353 - itsplit 1 - acceleration/energy drift too large 6.10237120751135 - 22.7843616315168 split increased to 2 itime 818437 - itsplit 1 - acceleration/energy drift too large 3.23948717298626 - 10.6906857675880 split increased to 2 itime 818589 - itsplit 1 - acceleration/energy drift too large 5.90096589121822 - 21.2728857766801 split increased to 2 itime 819260 - itsplit 1 - acceleration/energy drift too large 5.05280176242742 - 21.6597479186071 split increased to 2 itime 819954 - itsplit 1 - acceleration/energy drift too large 3.04585853038692 - 11.9185562651246 split increased to 2 itime 819970 - itsplit 1 - acceleration/energy drift too large 3.47091725157988 - 10.0118001870343 split increased to 2 itime 820913 - itsplit 1 - acceleration/energy drift too large 3.78234169895502 - 17.0367496884072 split increased to 2 itime 821845 - itsplit 1 - acceleration/energy drift too large 3.37615124590038 - 10.1863203911239 split increased to 2 itime 821916 - itsplit 1 - acceleration/energy drift too large 2.71778429563883 - 10.2228024420978 split increased to 2 itime 821998 - itsplit 1 - acceleration/energy drift too large 4.39072547069725 - 15.3187734493463 split increased to 2 itime 822001 - itsplit 1 - acceleration/energy drift too large 4.14603414679257 - 12.1280306363556 split increased to 2 itime 822026 - itsplit 1 - acceleration/energy drift too large 3.33537754750784 - 10.7308855775522 split increased to 2 itime 822029 - itsplit 1 - acceleration/energy drift too large 4.26362319837894 - 10.2156051741344 split increased to 2 itime 823125 - itsplit 1 - acceleration/energy drift too large 4.04842886067871 - 10.8340315759747 split increased to 2 itime 823717 - itsplit 1 - acceleration/energy drift too large 1.72179993580453 - 11.8647805737219 split increased to 2 itime 823721 - itsplit 1 - acceleration/energy drift too large 2.69724548524296 - 16.2209680473749 split increased to 2 itime 823722 - itsplit 1 - acceleration/energy drift too large 13.7331743389044 - 84.5048630330252 split increased to 2 itime 825198 - itsplit 1 - acceleration/energy drift too large 2.66470686542499 - 10.8927565452928 split increased to 2 itime 825528 - itsplit 1 - acceleration/energy drift too large 3.41673743343863 - 10.9277610871900 split increased to 2 itime 825633 - itsplit 1 - acceleration/energy drift too large 5.82436354323122 - 17.4542030039202 split increased to 2 itime 826198 - itsplit 1 - acceleration/energy drift too large 2.39244958157978 - 15.7040666981162 split increased to 2 itime 826424 - itsplit 1 - acceleration/energy drift too large 6.23359500567962 - 18.8502492153681 split increased to 2 itime 826677 - itsplit 1 - acceleration/energy drift too large 4.92311892717636 - 12.2474036059915 split increased to 2 itime 826748 - itsplit 1 - acceleration/energy drift too large 8.21189290923087 - 23.4027130578157 split increased to 2 itime 827278 - itsplit 1 - acceleration/energy drift too large 6.41389779824785 - 14.7414334204607 split increased to 2 itime 828104 - itsplit 1 - acceleration/energy drift too large 1.98272762043376 - 10.2766999644485 split increased to 2 itime 828376 - itsplit 1 - acceleration/energy drift too large 2.96270298313426 - 11.7318525545359 split increased to 2 itime 828469 - itsplit 1 - acceleration/energy drift too large 2.23856016350484 - 10.8660141037518 split increased to 2 itime 828471 - itsplit 1 - acceleration/energy drift too large 2.66934802348836 - 11.7430049204936 split increased to 2 itime 828480 - itsplit 1 - acceleration/energy drift too large 9.81794534809667 - 46.4792197912866 split increased to 2 itime 829312 - itsplit 1 - acceleration/energy drift too large 4.45892408214464 - 11.0701693208371 split increased to 2 itime 830187 - itsplit 1 - acceleration/energy drift too large 4.28528259029521 - 11.1514826068252 split increased to 2 itime 830294 - itsplit 1 - acceleration/energy drift too large 5.09220803652251 - 14.2176753881925 split increased to 2 itime 832447 - itsplit 1 - acceleration/energy drift too large 9.58242887121927 - 41.2366131612884 split increased to 2 itime 832655 - itsplit 1 - acceleration/energy drift too large 6.30323250826443 - 23.7941525909000 split increased to 2 itime 832831 - itsplit 1 - acceleration/energy drift too large 2.76179187649166 - 10.2838857728992 split increased to 2 itime 832853 - itsplit 1 - acceleration/energy drift too large 6.46996752079699 - 23.7221937361976 split increased to 2 itime 833922 - itsplit 1 - acceleration/energy drift too large 7.01467297336769 - 13.7294261915829 split increased to 2 itime 834997 - itsplit 1 - acceleration/energy drift too large 12.0420091284735 - 20.1377857016638 split increased to 2 itime 836128 - itsplit 1 - acceleration/energy drift too large 2.60117276282373 - 14.7087831769970 split increased to 2 itime 836134 - itsplit 1 - acceleration/energy drift too large 2.50225283516308 - 10.9397304122555 split increased to 2 itime 836173 - itsplit 1 - acceleration/energy drift too large 2.50547526587534 - 12.4987770346219 split increased to 2 itime 836175 - itsplit 1 - acceleration/energy drift too large 5.23378171744697 - 10.9041509336637 split increased to 2 itime 836780 - itsplit 1 - acceleration/energy drift too large 4.65537539386285 - 24.1571521663409 split increased to 2 itime 837715 - itsplit 1 - acceleration/energy drift too large 2.10807086812456 - 16.6460784377000 split increased to 2 itime 838121 - itsplit 1 - acceleration/energy drift too large 5.66536061607819 - 10.3317363689044 split increased to 2 itime 838217 - itsplit 1 - acceleration/energy drift too large 8.05721811325240 - 13.2748972114343 split increased to 2 itime 839823 - itsplit 1 - acceleration/energy drift too large 3.22873810263111 - 10.1025437798592 split increased to 2 itime 839906 - itsplit 1 - acceleration/energy drift too large 3.52333554876054 - 11.1841317776357 split increased to 2 itime 839925 - itsplit 1 - acceleration/energy drift too large 5.89715786601241 - 11.7155501175404 split increased to 2 itime 840293 - itsplit 1 - acceleration/energy drift too large 5.37752169557274 - 16.5706578605612 split increased to 2 itime 840622 - itsplit 1 - acceleration/energy drift too large 4.69165944376808 - 21.7685278534993 split increased to 2 itime 840920 - itsplit 1 - acceleration/energy drift too large 3.72263441924543 - 12.2911371839242 split increased to 2 itime 840921 - itsplit 1 - acceleration/energy drift too large 5.59369709472166 - 26.9903686292085 split increased to 2 itime 842029 - itsplit 1 - acceleration/energy drift too large 4.35897452077884 - 14.6877449982812 split increased to 2 itime 842251 - itsplit 1 - acceleration/energy drift too large 6.78828014511033 - 68.2140269917784 split increased to 2 itime 842921 - itsplit 1 - acceleration/energy drift too large 6.28295402927178 - 10.9108700467637 split increased to 2 itime 844348 - itsplit 1 - acceleration/energy drift too large 5.32692999042284 - 13.6167728294216 split increased to 2 itime 844827 - itsplit 1 - acceleration/energy drift too large 2.74811063260167 - 13.5406297634212 split increased to 2 itime 844909 - itsplit 1 - acceleration/energy drift too large 4.29587200120884 - 11.7658832802984 split increased to 2 itime 845459 - itsplit 1 - acceleration/energy drift too large 7.39505485155663 - 27.7478686918083 split increased to 2 itime 846925 - itsplit 1 - acceleration/energy drift too large 2.08866774272567 - 10.0899211439235 split increased to 2 itime 847068 - itsplit 1 - acceleration/energy drift too large 3.49216024449460 - 16.3352409353763 split increased to 2 itime 847080 - itsplit 1 - acceleration/energy drift too large 3.73648412095696 - 12.5321887982122 split increased to 2 itime 847082 - itsplit 1 - acceleration/energy drift too large 3.79871898072840 - 14.2284955596256 split increased to 2 itime 847083 - itsplit 1 - acceleration/energy drift too large 2.90368776294063 - 10.2382577440590 split increased to 2 itime 847090 - itsplit 1 - acceleration/energy drift too large 3.63075863189237 - 11.8796026796296 split increased to 2 itime 847092 - itsplit 1 - acceleration/energy drift too large 4.71202833658062 - 11.4947328282365 split increased to 2 itime 847093 - itsplit 1 - acceleration/energy drift too large 2.61306418272524 - 10.5407353724866 split increased to 2 itime 847094 - itsplit 1 - acceleration/energy drift too large 5.36818447917145 - 12.8178709323890 split increased to 2 itime 847100 - itsplit 1 - acceleration/energy drift too large 4.09454734008267 - 23.0544229637787 split increased to 2 itime 847104 - itsplit 1 - acceleration/energy drift too large 3.94620012069803 - 13.0132357847576 split increased to 2 itime 847105 - itsplit 1 - acceleration/energy drift too large 5.92556603177573 - 14.5964383968589 split increased to 2 itime 847106 - itsplit 1 - acceleration/energy drift too large 3.69516272322461 - 12.7826853421482 split increased to 2 itime 847108 - itsplit 1 - acceleration/energy drift too large 4.69535222624778 - 23.3248365775328 split increased to 2 itime 847109 - itsplit 1 - acceleration/energy drift too large 6.24449848876909 - 12.7723211355282 split increased to 2 itime 847110 - itsplit 1 - acceleration/energy drift too large 4.20353993631563 - 25.0325800418216 split increased to 2 itime 847111 - itsplit 1 - acceleration/energy drift too large 5.05352489961528 - 14.2710947376936 split increased to 2 itime 847112 - itsplit 1 - acceleration/energy drift too large 5.84426671617278 - 29.0576944708438 split increased to 2 itime 847113 - itsplit 1 - acceleration/energy drift too large 4.19448826595036 - 16.6400771404081 split increased to 2 itime 847115 - itsplit 1 - acceleration/energy drift too large 4.72595708632448 - 10.7053172067701 split increased to 2 itime 847128 - itsplit 1 - acceleration/energy drift too large 2.86545144415858 - 10.3918800821794 split increased to 2 itime 847132 - itsplit 1 - acceleration/energy drift too large 3.55880576289975 - 10.4022666242638 split increased to 2 itime 847133 - itsplit 1 - acceleration/energy drift too large 2.85289518505751 - 16.9939542430086 split increased to 2 itime 847138 - itsplit 1 - acceleration/energy drift too large 4.19713389218135 - 11.6883047708061 split increased to 2 itime 847144 - itsplit 1 - acceleration/energy drift too large 2.99204329048327 - 10.1759934380129 split increased to 2 itime 847146 - itsplit 1 - acceleration/energy drift too large 4.34540309465263 - 10.4525037960785 split increased to 2 itime 847148 - itsplit 1 - acceleration/energy drift too large 3.34441294773953 - 19.7210023480150 split increased to 2 itime 847149 - itsplit 1 - acceleration/energy drift too large 4.75498703478143 - 11.4595926399508 split increased to 2 itime 847156 - itsplit 1 - acceleration/energy drift too large 5.25564406172054 - 14.1825212322780 split increased to 2 itime 847158 - itsplit 1 - acceleration/energy drift too large 3.72209543849954 - 12.6540477866308 split increased to 2 itime 847160 - itsplit 1 - acceleration/energy drift too large 4.17489035382349 - 16.6200187591341 split increased to 2 itime 847161 - itsplit 1 - acceleration/energy drift too large 4.86943043572218 - 10.7469818689684 split increased to 2 itime 847162 - itsplit 1 - acceleration/energy drift too large 4.55582429153348 - 14.9712004209752 split increased to 2 itime 847163 - itsplit 1 - acceleration/energy drift too large 3.27950334137442 - 10.1619535824763 split increased to 2 itime 847164 - itsplit 1 - acceleration/energy drift too large 4.66263444148753 - 25.1228148235961 split increased to 2 itime 847165 - itsplit 1 - acceleration/energy drift too large 2.75812781001029 - 11.3253546014032 split increased to 2 itime 847167 - itsplit 1 - acceleration/energy drift too large 4.33823206582491 - 10.7072274822769 split increased to 2 itime 847168 - itsplit 1 - acceleration/energy drift too large 3.38428134435593 - 14.9185676154569 split increased to 2 itime 847169 - itsplit 1 - acceleration/energy drift too large 4.29452895473413 - 10.1975743398768 split increased to 2 itime 847183 - itsplit 1 - acceleration/energy drift too large 4.03638522720032 - 10.2153790009562 split increased to 2 itime 847304 - itsplit 1 - acceleration/energy drift too large 2.95219427844642 - 10.3699343449518 split increased to 2 itime 848185 - itsplit 1 - acceleration/energy drift too large 4.06441965201668 - 11.2624611204339 split increased to 2 itime 848254 - itsplit 1 - acceleration/energy drift too large 2.86875767264072 - 24.8488139641294 split increased to 2 itime 848923 - itsplit 1 - acceleration/energy drift too large 6.59418031402576 - 12.5326600541573 split increased to 2 itime 849882 - itsplit 1 - acceleration/energy drift too large 2.48569202672163 - 10.3206565436728 split increased to 2 itime 849904 - itsplit 1 - acceleration/energy drift too large 3.48965481857909 - 10.1886420645067 split increased to 2 itime 850381 - itsplit 1 - acceleration/energy drift too large 4.92187917817594 - 14.8411146856012 split increased to 2 itime 850742 - itsplit 1 - acceleration/energy drift too large 11.4722128403508 - 65.1348127208957 split increased to 2 itime 850745 - itsplit 1 - acceleration/energy drift too large 3.06530279454802 - 19.2424039486603 split increased to 4 itime 850745 - itsplit 2 - acceleration/energy drift too large 2.15603601757294 - 10.2248399616789 split increased to 2 itime 850913 - itsplit 1 - acceleration/energy drift too large 2.38124441644250 - 10.9395746668282 split increased to 2 itime 850918 - itsplit 1 - acceleration/energy drift too large 3.66419799126729 - 10.0932717230646 split increased to 2 itime 852322 - itsplit 1 - acceleration/energy drift too large 3.88640950807502 - 13.3381828439116 split increased to 2 itime 853385 - itsplit 1 - acceleration/energy drift too large 3.87523550098690 - 10.1733614476060 split increased to 2 itime 853619 - itsplit 1 - acceleration/energy drift too large 3.78263520241054 - 10.3469163338587 split increased to 2 itime 856034 - itsplit 1 - acceleration/energy drift too large 4.48244832650068 - 22.0268064844471 split increased to 2 itime 856790 - itsplit 1 - acceleration/energy drift too large 10.1638102470482 - 41.1802797682316 split increased to 2 itime 856802 - itsplit 1 - acceleration/energy drift too large 4.13173847376803 - 16.4398927305867 split increased to 2 itime 857038 - itsplit 1 - acceleration/energy drift too large 5.52139035233061 - 37.4154913396524 split increased to 2 itime 857667 - itsplit 1 - acceleration/energy drift too large 1.47019683581455 - 10.3282771245595 split increased to 4 itime 857667 - itsplit 2 - acceleration/energy drift too large 6.26298378882389 - 12.6339044924792 split increased to 2 itime 858039 - itsplit 1 - acceleration/energy drift too large 5.02496751453694 - 23.9797849662949 split increased to 2 itime 858272 - itsplit 1 - acceleration/energy drift too large 2.71215643060914 - 12.2812389324929 split increased to 2 itime 859189 - itsplit 1 - acceleration/energy drift too large 8.16445534356471 - 31.5104709815233 split increased to 2 itime 859282 - itsplit 1 - acceleration/energy drift too large 6.33814460710215 - 19.0089958831885 split increased to 2 itime 859696 - itsplit 1 - acceleration/energy drift too large 2.01973888017996 - 11.3017064993068 split increased to 2 itime 860176 - itsplit 1 - acceleration/energy drift too large 3.68043410416533 - 10.9665139715313 split increased to 2 itime 860482 - itsplit 1 - acceleration/energy drift too large 4.38834511153569 - 21.1804013615380 split increased to 2 itime 861700 - itsplit 1 - acceleration/energy drift too large 2.47504552142882 - 10.7519378058018 split increased to 2 itime 862096 - itsplit 1 - acceleration/energy drift too large 5.88048980705060 - 22.6943207385571 split increased to 2 itime 862410 - itsplit 1 - acceleration/energy drift too large 5.33497978272079 - 15.4416581336628 split increased to 2 itime 862757 - itsplit 1 - acceleration/energy drift too large 3.58984677596980 - 11.2691427491082 split increased to 2 itime 863426 - itsplit 1 - acceleration/energy drift too large 4.67110995691321 - 15.3573006217360 split increased to 2 itime 863816 - itsplit 1 - acceleration/energy drift too large 2.88308257296694 - 17.9983181980994 split increased to 2 itime 864608 - itsplit 1 - acceleration/energy drift too large 7.17971481818921 - 13.2463095101824 split increased to 2 itime 864677 - itsplit 1 - acceleration/energy drift too large 2.55026253160826 - 13.2249825213959 split increased to 2 itime 865023 - itsplit 1 - acceleration/energy drift too large 9.72672756003151 - 43.6229396805800 split increased to 2 itime 865173 - itsplit 1 - acceleration/energy drift too large 16.1123045178537 - 97.3914011593017 split increased to 2 itime 865373 - itsplit 1 - acceleration/energy drift too large 5.58209611622758 - 21.5874215437644 split increased to 2 itime 865573 - itsplit 1 - acceleration/energy drift too large 7.00736081128928 - 28.7547328057902 split increased to 2 itime 865835 - itsplit 1 - acceleration/energy drift too large 4.37082073569142 - 11.5255606320542 split increased to 2 itime 866132 - itsplit 1 - acceleration/energy drift too large 13.5054734392648 - 85.2213778112010 split increased to 2 itime 867505 - itsplit 1 - acceleration/energy drift too large 2.38129441355941 - 10.7855325377487 split increased to 4 itime 867505 - itsplit 2 - acceleration/energy drift too large 7.74512405241439 - 27.8846347098393 split increased to 2 itime 868627 - itsplit 1 - acceleration/energy drift too large 4.11377944541355 - 16.7703921920226 split increased to 2 itime 869047 - itsplit 1 - acceleration/energy drift too large 10.0310835891838 - 61.9408148514311 split increased to 2 itime 869229 - itsplit 1 - acceleration/energy drift too large 4.46369155634255 - 22.1443003046766 split increased to 2 itime 870668 - itsplit 1 - acceleration/energy drift too large 5.21790683673772 - 14.1891248992773 split increased to 2 itime 871539 - itsplit 1 - acceleration/energy drift too large 5.18856855998587 - 14.7571847069736 split increased to 2 itime 871806 - itsplit 1 - acceleration/energy drift too large 4.59909925533037 - 25.0686095855792 split increased to 2 itime 872734 - itsplit 1 - acceleration/energy drift too large 6.08967718042661 - 11.4374856834159 split increased to 2 itime 873450 - itsplit 1 - acceleration/energy drift too large 6.74632025914056 - 17.7332379179095 split increased to 2 itime 873539 - itsplit 1 - acceleration/energy drift too large 4.70643529155967 - 21.4805774835283 split increased to 2 itime 874588 - itsplit 1 - acceleration/energy drift too large 7.39430011485530 - 12.3522055680542 split increased to 2 itime 875465 - itsplit 1 - acceleration/energy drift too large 4.78825642543626 - 17.3874010725700 split increased to 2 itime 877881 - itsplit 1 - acceleration/energy drift too large 5.97681993805455 - 25.1354272606663 split increased to 2 itime 878396 - itsplit 1 - acceleration/energy drift too large 3.38300668698684 - 11.2820665972356 split increased to 2 itime 878888 - itsplit 1 - acceleration/energy drift too large 3.36738911102145 - 11.4231502752145 split increased to 2 itime 878965 - itsplit 1 - acceleration/energy drift too large 3.27096232918144 - 11.6906469590648 split increased to 2 itime 879257 - itsplit 1 - acceleration/energy drift too large 2.50065693167542 - 10.1948988045938 split increased to 2 itime 879260 - itsplit 1 - acceleration/energy drift too large 4.15099666860368 - 22.4062377548476 split increased to 2 itime 879352 - itsplit 1 - acceleration/energy drift too large 4.91538129707681 - 26.9531880059950 split increased to 2 itime 879353 - itsplit 1 - acceleration/energy drift too large 4.09267525824722 - 12.5315299860999 split increased to 2 itime 879360 - itsplit 1 - acceleration/energy drift too large 4.07946715948461 - 11.7567248249081 split increased to 2 itime 879372 - itsplit 1 - acceleration/energy drift too large 4.11026067581148 - 13.2030804038471 split increased to 2 itime 879442 - itsplit 1 - acceleration/energy drift too large 4.77715292520984 - 12.1369134797405 split increased to 2 itime 879449 - itsplit 1 - acceleration/energy drift too large 3.03957587296397 - 10.2446756573318 split increased to 2 itime 879456 - itsplit 1 - acceleration/energy drift too large 3.51411230973672 - 12.1065997295872 split increased to 2 itime 879926 - itsplit 1 - acceleration/energy drift too large 6.43830247242766 - 13.5153094884764 split increased to 2 itime 881694 - itsplit 1 - acceleration/energy drift too large 6.23424169883068 - 16.0694557272369 split increased to 2 itime 882565 - itsplit 1 - acceleration/energy drift too large 3.00129054725997 - 12.5424350648785 split increased to 2 itime 882616 - itsplit 1 - acceleration/energy drift too large 2.64632954261225 - 11.4482186586230 split increased to 2 itime 882637 - itsplit 1 - acceleration/energy drift too large 2.03798771559294 - 10.8170647412822 split increased to 2 itime 882821 - itsplit 1 - acceleration/energy drift too large 2.93770528230155 - 10.8554139349772 split increased to 2 itime 882826 - itsplit 1 - acceleration/energy drift too large 3.68870639297268 - 11.5061829305108 split increased to 2 itime 882877 - itsplit 1 - acceleration/energy drift too large 3.71427960472610 - 21.1676012119596 split increased to 2 itime 883245 - itsplit 1 - acceleration/energy drift too large 5.13779149477282 - 10.1143672788170 split increased to 2 itime 883846 - itsplit 1 - acceleration/energy drift too large 2.39493555602771 - 11.4600831097461 split increased to 2 itime 884378 - itsplit 1 - acceleration/energy drift too large 6.33588345588591 - 15.6473331344997 split increased to 2 itime 884935 - itsplit 1 - acceleration/energy drift too large 4.56358235999393 - 16.6694381049531 split increased to 2 itime 885196 - itsplit 1 - acceleration/energy drift too large 3.53512452901201 - 10.9077368686268 split increased to 2 itime 885197 - itsplit 1 - acceleration/energy drift too large 3.59163475371097 - 10.7414490848442 split increased to 2 itime 885844 - itsplit 1 - acceleration/energy drift too large 6.21656116299036 - 20.5906411499767 split increased to 2 itime 885919 - itsplit 1 - acceleration/energy drift too large 5.31966423852916 - 15.4834819562055 split increased to 2 itime 886902 - itsplit 1 - acceleration/energy drift too large 6.92817499917769 - 10.6425015729690 split increased to 2 itime 887332 - itsplit 1 - acceleration/energy drift too large 9.59784482132046 - 25.0759581404714 split increased to 2 itime 887514 - itsplit 1 - acceleration/energy drift too large 5.92848984927603 - 38.3959018713859 split increased to 2 itime 887707 - itsplit 1 - acceleration/energy drift too large 2.06845978277478 - 10.5430082853768 split increased to 2 itime 889138 - itsplit 1 - acceleration/energy drift too large 2.83414016243626 - 11.8018460266457 split increased to 2 itime 889222 - itsplit 1 - acceleration/energy drift too large 2.55870891892554 - 14.8910340409304 split increased to 2 itime 889240 - itsplit 1 - acceleration/energy drift too large 3.00060767355376 - 10.6606536066186 split increased to 2 itime 889284 - itsplit 1 - acceleration/energy drift too large 4.67906141506718 - 15.0429765367215 split increased to 2 itime 891086 - itsplit 1 - acceleration/energy drift too large 3.09771740328792 - 18.1413160621814 split increased to 2 itime 891387 - itsplit 1 - acceleration/energy drift too large 2.89969614810145 - 12.5521838483630 split increased to 2 itime 893393 - itsplit 1 - acceleration/energy drift too large 7.38575339068290 - 27.2347153498468 split increased to 2 itime 893480 - itsplit 1 - acceleration/energy drift too large 3.71924361918418 - 10.5875732624885 split increased to 2 itime 894036 - itsplit 1 - acceleration/energy drift too large 2.50031708798051 - 10.0317738019304 split increased to 2 itime 894775 - itsplit 1 - acceleration/energy drift too large 2.41860265002419 - 10.0778580103964 split increased to 2 itime 895254 - itsplit 1 - acceleration/energy drift too large 6.12301061561256 - 11.6802293505378 split increased to 2 itime 896376 - itsplit 1 - acceleration/energy drift too large 6.13173639117314 - 40.6100154709416 split increased to 2 itime 896752 - itsplit 1 - acceleration/energy drift too large 6.66283243133982 - 15.9062543336785 split increased to 2 itime 896788 - itsplit 1 - acceleration/energy drift too large 7.65531306146650 - 38.5476251636030 split increased to 2 itime 897804 - itsplit 1 - acceleration/energy drift too large 5.04548513627763 - 12.2394916455316 split increased to 2 itime 897984 - itsplit 1 - acceleration/energy drift too large 3.60563855331779 - 14.0372787991910 split increased to 2 itime 898141 - itsplit 1 - acceleration/energy drift too large 2.99385443794211 - 10.5579887350577 split increased to 2 itime 898191 - itsplit 1 - acceleration/energy drift too large 3.12642648554429 - 10.6196226037166 split increased to 2 itime 898200 - itsplit 1 - acceleration/energy drift too large 2.90557241593064 - 10.0920384231076 split increased to 2 itime 898243 - itsplit 1 - acceleration/energy drift too large 2.15996185085474 - 10.1274803261365 split increased to 2 itime 898248 - itsplit 1 - acceleration/energy drift too large 2.62612152906742 - 10.9386562989034 split increased to 2 itime 898250 - itsplit 1 - acceleration/energy drift too large 2.29864435350013 - 10.0601373091055 split increased to 2 itime 898259 - itsplit 1 - acceleration/energy drift too large 3.52782753785405 - 10.9966882982924 split increased to 2 itime 898277 - itsplit 1 - acceleration/energy drift too large 4.79656554452478 - 12.4855347661078 split increased to 2 itime 898280 - itsplit 1 - acceleration/energy drift too large 2.31520404726971 - 10.4127904236326 split increased to 2 itime 898282 - itsplit 1 - acceleration/energy drift too large 3.74575973075621 - 13.3998072178123 split increased to 2 itime 898291 - itsplit 1 - acceleration/energy drift too large 3.61316904809170 - 15.0649600715318 split increased to 2 itime 898836 - itsplit 1 - acceleration/energy drift too large 4.50436928160336 - 10.7719585156443 split increased to 2 itime 899315 - itsplit 1 - acceleration/energy drift too large 17.8859032616243 - 106.266942735515 split increased to 2 itime 899371 - itsplit 1 - acceleration/energy drift too large 4.93612276327650 - 12.6342149895357 split increased to 2 itime 899673 - itsplit 1 - acceleration/energy drift too large 10.7881199039967 - 26.0999504533117 split increased to 2 itime 899748 - itsplit 1 - acceleration/energy drift too large 6.60397918733171 - 10.4484620365785 split increased to 2 itime 899967 + acceleration/energy drift too large 3.81521778771810 + 22.9153789837453 split increased to 2 itime 897065 itsplit 1 REMD synchro at 900000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 418.390625000000 0.000000000000000E+000 - REMD writing rst time= 7.812500000000000E-003 + REMD gather times= 356.390625000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.22222 9 -ACC 2 260.00000 0.44444 9 -ACC 3 270.00000 0.77778 9 -ACC 4 280.00000 0.66667 9 +ACC 2 260.00000 0.77778 9 +ACC 3 270.00000 0.44444 9 +ACC 4 280.00000 0.33333 9 ACC 5 290.00000 0.55556 9 -ACC 6 300.00000 0.66667 9 +ACC 6 300.00000 0.88889 9 ACC 7 310.00000 0.55556 9 -ACC 8 320.00000 0.55556 9 -ACC 9 330.00000 0.77778 9 -ACC 10 340.00000 0.66667 9 -ACC 11 350.00000 0.88889 9 -ACC 12 360.00000 1.00000 9 -ACC 13 370.00000 0.77778 9 -ACC 14 380.00000 0.88889 9 -ACC 15 390.00000 0.88889 9 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 7.19363526093023 - 26.4376444688116 split increased to 2 itime 900044 - itsplit 1 - acceleration/energy drift too large 6.92581658774866 - 21.9658167318826 split increased to 2 itime 900346 - itsplit 1 - acceleration/energy drift too large 2.97211997086592 - 11.9360471099954 split increased to 2 itime 901378 - itsplit 1 - acceleration/energy drift too large 6.24403093852662 - 14.1018812225351 split increased to 2 itime 902498 - itsplit 1 - acceleration/energy drift too large 2.61072058071699 - 12.1470178462207 split increased to 2 itime 903394 - itsplit 1 - acceleration/energy drift too large 4.33752065538737 - 10.4626602159398 split increased to 2 itime 903681 - itsplit 1 - acceleration/energy drift too large 2.63015490742958 - 11.3920505406353 split increased to 2 itime 903684 - itsplit 1 - acceleration/energy drift too large 7.67250342656507 - 25.1133574631307 split increased to 2 itime 903804 - itsplit 1 - acceleration/energy drift too large 4.22668077955831 - 13.2232289978048 split increased to 2 itime 903809 - itsplit 1 - acceleration/energy drift too large 2.32963591048908 - 10.1833664121449 split increased to 2 itime 905247 - itsplit 1 - acceleration/energy drift too large 7.03248797563217 - 16.1739426686094 split increased to 2 itime 906879 - itsplit 1 - acceleration/energy drift too large 4.55985910815626 - 10.4380955833394 split increased to 2 itime 907514 - itsplit 1 - acceleration/energy drift too large 6.36555807236685 - 34.9090426477884 split increased to 2 itime 907517 - itsplit 1 - acceleration/energy drift too large 5.41031934237241 - 32.8866328107412 split increased to 2 itime 907596 - itsplit 1 - acceleration/energy drift too large 11.6903973285339 - 59.7893544595390 split increased to 2 itime 907657 - itsplit 1 - acceleration/energy drift too large 4.37129194833860 - 23.1302354327832 split increased to 2 itime 907695 - itsplit 1 - acceleration/energy drift too large 4.36859325201302 - 12.6303119712371 split increased to 2 itime 907802 - itsplit 1 - acceleration/energy drift too large 4.59262654842513 - 15.5371800467682 split increased to 2 itime 909753 - itsplit 1 - acceleration/energy drift too large 5.43011179395092 - 14.7040863259214 split increased to 2 itime 910310 - itsplit 1 - acceleration/energy drift too large 4.42627562482947 - 29.3712599684341 split increased to 2 itime 910776 - itsplit 1 - acceleration/energy drift too large 3.07904421686499 - 21.5064581761256 split increased to 2 itime 911508 - itsplit 1 - acceleration/energy drift too large 2.45282789389472 - 10.8097273101652 split increased to 2 itime 911537 - itsplit 1 - acceleration/energy drift too large 1.82745687227273 - 10.4986123247086 split increased to 2 itime 911545 - itsplit 1 - acceleration/energy drift too large 2.58935149075084 - 10.5140245490475 split increased to 2 itime 911796 - itsplit 1 - acceleration/energy drift too large 3.60018630959506 - 13.1986129409376 split increased to 2 itime 913461 - itsplit 1 - acceleration/energy drift too large 4.03977663898377 - 12.8229104374460 split increased to 2 itime 913880 - itsplit 1 - acceleration/energy drift too large 3.00363408568415 - 10.0495309005863 split increased to 2 itime 915275 - itsplit 1 - acceleration/energy drift too large 13.1566936484644 - 61.9485232683799 split increased to 2 itime 915285 - itsplit 1 - acceleration/energy drift too large 9.56751163619143 - 41.7438456653892 split increased to 2 itime 915430 - itsplit 1 - acceleration/energy drift too large 2.45306682179620 - 11.4492086576488 split increased to 2 itime 915498 - itsplit 1 - acceleration/energy drift too large 2.83727872126258 - 14.0482140947185 split increased to 2 itime 915607 - itsplit 1 - acceleration/energy drift too large 2.06884141375289 - 10.7533911661877 split increased to 2 itime 915608 - itsplit 1 - acceleration/energy drift too large 3.95079701548853 - 12.1537483298018 split increased to 2 itime 915716 - itsplit 1 - acceleration/energy drift too large 1.76063093190684 - 10.0121717544294 split increased to 2 itime 915717 - itsplit 1 - acceleration/energy drift too large 2.35817906808635 - 10.3795404305913 split increased to 2 itime 916699 - itsplit 1 - acceleration/energy drift too large 3.18090985794674 - 10.1186778852343 split increased to 2 itime 916716 - itsplit 1 - acceleration/energy drift too large 3.52646219648039 - 11.0083147315511 split increased to 2 itime 916736 - itsplit 1 - acceleration/energy drift too large 5.41401834887136 - 16.3250059968395 split increased to 2 itime 917065 - itsplit 1 - acceleration/energy drift too large 6.24654337262521 - 15.9467177506748 split increased to 2 itime 917088 - itsplit 1 - acceleration/energy drift too large 3.42123613024447 - 10.8293378813490 split increased to 2 itime 920360 - itsplit 1 - acceleration/energy drift too large 4.52348937499026 - 17.4160819846422 split increased to 2 itime 920481 - itsplit 1 - acceleration/energy drift too large 5.58307849409111 - 12.8384864984895 split increased to 2 itime 920508 - itsplit 1 - acceleration/energy drift too large 3.76293060028863 - 10.4230197580210 split increased to 2 itime 920938 - itsplit 1 - acceleration/energy drift too large 5.72487089244271 - 10.1269518764896 split increased to 2 itime 921451 - itsplit 1 - acceleration/energy drift too large 3.05685742697572 - 11.2928420728845 split increased to 2 itime 923134 - itsplit 1 - acceleration/energy drift too large 10.6418438989357 - 54.9804193206298 split increased to 2 itime 923293 - itsplit 1 - acceleration/energy drift too large 2.97542255625461 - 11.9018077569453 split increased to 2 itime 923294 - itsplit 1 - acceleration/energy drift too large 2.95064314798234 - 10.5898567931776 split increased to 2 itime 923312 - itsplit 1 - acceleration/energy drift too large 3.33155659791832 - 11.1075821708860 split increased to 2 itime 923523 - itsplit 1 - acceleration/energy drift too large 3.98195701216055 - 24.2323088930330 split increased to 2 itime 926080 - itsplit 1 - acceleration/energy drift too large 3.42082283129700 - 17.4005162816140 split increased to 2 itime 926661 - itsplit 1 - acceleration/energy drift too large 4.82095207791204 - 10.0085769282235 split increased to 2 itime 929282 - itsplit 1 - acceleration/energy drift too large 6.62690459192029 - 22.7542037107264 split increased to 2 itime 929855 - itsplit 1 - acceleration/energy drift too large 9.66454130856915 - 52.3842380943336 split increased to 2 itime 930101 - itsplit 1 - acceleration/energy drift too large 6.58848101894597 - 31.1344918135040 split increased to 2 itime 930503 - itsplit 1 - acceleration/energy drift too large 2.10676197962160 - 13.6263419691175 split increased to 2 itime 930667 - itsplit 1 - acceleration/energy drift too large 3.08721849299433 - 11.3374208464538 split increased to 2 itime 930683 - itsplit 1 - acceleration/energy drift too large 3.30363134189609 - 12.3716584794392 split increased to 2 itime 930685 - itsplit 1 - acceleration/energy drift too large 2.14749820212985 - 12.4616872901649 split increased to 2 itime 930690 - itsplit 1 - acceleration/energy drift too large 4.11062001736540 - 13.2334539230016 split increased to 2 itime 930778 - itsplit 1 - acceleration/energy drift too large 3.99271156031664 - 10.4082990315217 split increased to 2 itime 930780 - itsplit 1 - acceleration/energy drift too large 3.14085917988531 - 13.4615132321333 split increased to 2 itime 930807 - itsplit 1 - acceleration/energy drift too large 2.19184874715178 - 10.6524649128168 split increased to 2 itime 930809 - itsplit 1 - acceleration/energy drift too large 2.60269138739621 - 10.2552486452875 split increased to 2 itime 930810 - itsplit 1 - acceleration/energy drift too large 2.04336848321291 - 10.3940347580703 split increased to 2 itime 930812 - itsplit 1 - acceleration/energy drift too large 3.52689536788265 - 14.6483036895294 split increased to 2 itime 930932 - itsplit 1 - acceleration/energy drift too large 5.70582832319517 - 39.1036944602793 split increased to 2 itime 930952 - itsplit 1 - acceleration/energy drift too large 8.92273950313895 - 43.0721842916357 split increased to 2 itime 931121 - itsplit 1 - acceleration/energy drift too large 2.18544868871736 - 10.2871492974681 split increased to 2 itime 931685 - itsplit 1 - acceleration/energy drift too large 4.10032675586481 - 12.8172823178174 split increased to 2 itime 932977 - itsplit 1 - acceleration/energy drift too large 5.08582074895004 - 12.8841224375240 split increased to 2 itime 933761 - itsplit 1 - acceleration/energy drift too large 5.06748878429286 - 16.6264935256466 split increased to 2 itime 935355 - itsplit 1 - acceleration/energy drift too large 5.04793245705423 - 12.5334527792044 split increased to 2 itime 937381 - itsplit 1 - acceleration/energy drift too large 4.13329546271268 - 10.1111058379699 split increased to 2 itime 937388 - itsplit 1 - acceleration/energy drift too large 4.25892809076758 - 23.4965933718114 split increased to 2 itime 937853 - itsplit 1 - acceleration/energy drift too large 2.01389642739375 - 11.1359609510126 split increased to 2 itime 938066 - itsplit 1 - acceleration/energy drift too large 11.9561132235887 - 68.4733647228573 split increased to 2 itime 939131 - itsplit 1 - acceleration/energy drift too large 6.62026118239343 - 49.5095904282916 split increased to 2 itime 939748 - itsplit 1 - acceleration/energy drift too large 6.50306648653270 - 29.9110279037852 split increased to 2 itime 939882 - itsplit 1 - acceleration/energy drift too large 5.81292006783853 - 11.5002791063382 split increased to 2 itime 940461 - itsplit 1 - acceleration/energy drift too large 3.84105923526881 - 13.6099161563810 split increased to 2 itime 940586 - itsplit 1 - acceleration/energy drift too large 4.36018446324520 - 10.4355491014793 split increased to 2 itime 940717 - itsplit 1 - acceleration/energy drift too large 4.73540688413573 - 11.8752740256946 split increased to 2 itime 941585 - itsplit 1 - acceleration/energy drift too large 6.27777010711216 - 14.9739269139566 split increased to 2 itime 942177 - itsplit 1 - acceleration/energy drift too large 4.77187467086803 - 28.0518863127247 split increased to 2 itime 943975 - itsplit 1 - acceleration/energy drift too large 4.06206076320509 - 10.6296578611728 split increased to 2 itime 945706 - itsplit 1 - acceleration/energy drift too large 5.42852126925631 - 30.8875539452810 split increased to 2 itime 945819 - itsplit 1 - acceleration/energy drift too large 4.12748474808147 - 14.7122446468742 split increased to 2 itime 948175 - itsplit 1 - acceleration/energy drift too large 3.75767002463968 - 21.1672333210082 split increased to 2 itime 948474 - itsplit 1 - acceleration/energy drift too large 3.55891306554249 - 10.0506206298953 split increased to 2 itime 948554 - itsplit 1 - acceleration/energy drift too large 3.84631196203221 - 21.7247458983374 split increased to 2 itime 948714 - itsplit 1 - acceleration/energy drift too large 5.64839053021019 - 15.0860189150167 split increased to 2 itime 950010 - itsplit 1 - acceleration/energy drift too large 5.52824763386011 - 10.8087432135634 split increased to 2 itime 950033 - itsplit 1 - acceleration/energy drift too large 5.57046201749486 - 35.8258031520426 split increased to 2 itime 950152 - itsplit 1 - acceleration/energy drift too large 4.68693682257291 - 13.4451126304655 split increased to 2 itime 950423 - itsplit 1 - acceleration/energy drift too large 3.42968959873802 - 10.3037992797257 split increased to 2 itime 950479 - itsplit 1 - acceleration/energy drift too large 4.00996242350251 - 10.8596341414400 split increased to 2 itime 950534 - itsplit 1 - acceleration/energy drift too large 4.64214096535013 - 11.5000290740990 split increased to 2 itime 950567 - itsplit 1 - acceleration/energy drift too large 5.60749690034253 - 30.1402888645638 split increased to 2 itime 950943 - itsplit 1 - acceleration/energy drift too large 6.10440988702038 - 14.0908256877974 split increased to 2 itime 952353 - itsplit 1 - acceleration/energy drift too large 3.02427022882836 - 11.4950612037903 split increased to 2 itime 954716 - itsplit 1 - acceleration/energy drift too large 8.11181273944229 - 25.8453536523501 split increased to 2 itime 954792 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 6.57808466903543 + 14.2966236603601 split increased to 2 itime 900512 itsplit 1 - acceleration/energy drift too large 5.78554790892165 - 13.3256810833222 split increased to 2 itime 957878 + acceleration/energy drift too large 2.59229150258786 + 10.4080798753601 split increased to 2 itime 901350 itsplit 1 - acceleration/energy drift too large 4.28220245111358 - 15.3967273379289 split increased to 2 itime 958129 + acceleration/energy drift too large 7.69125874110519 + 23.7007796428610 split increased to 2 itime 902572 itsplit 1 - acceleration/energy drift too large 2.59652760530668 - 10.5648657320623 split increased to 2 itime 958132 + acceleration/energy drift too large 3.21110129327291 + 10.0423126070215 split increased to 2 itime 903784 itsplit 1 - acceleration/energy drift too large 1.61451807329374 - 10.1009312963666 split increased to 2 itime 958156 + acceleration/energy drift too large 12.3085257846634 + 55.2456446465172 split increased to 2 itime 905864 itsplit 1 - acceleration/energy drift too large 4.38502621693771 - 14.5845352689647 split increased to 2 itime 958186 + acceleration/energy drift too large 4.52591552115366 + 14.1527736760797 split increased to 2 itime 907361 itsplit 1 - acceleration/energy drift too large 2.96708412321547 - 10.6613672710611 split increased to 2 itime 958187 + acceleration/energy drift too large 1.99420534523600 + 11.8715454235411 split increased to 2 itime 908938 itsplit 1 - acceleration/energy drift too large 3.06719611040155 - 11.7033679886552 split increased to 2 itime 958227 + acceleration/energy drift too large 2.84991716936482 + 11.5679143197226 split increased to 2 itime 909045 itsplit 1 - acceleration/energy drift too large 8.93361772328442 - 62.1165479749755 split increased to 2 itime 958771 + acceleration/energy drift too large 2.53446373565771 + 11.3900046128801 split increased to 2 itime 909053 itsplit 1 - acceleration/energy drift too large 5.56652456694105 - 11.3826117183827 split increased to 2 itime 959119 + acceleration/energy drift too large 5.62223323930956 + 17.2458777836118 split increased to 2 itime 910736 itsplit 1 - acceleration/energy drift too large 2.77236347499016 - 10.4981910074322 split increased to 2 itime 960636 + acceleration/energy drift too large 2.50303839568308 + 10.0124697161464 split increased to 2 itime 913252 itsplit 1 - acceleration/energy drift too large 4.20826461807149 - 14.3474455133112 split increased to 2 itime 960906 + acceleration/energy drift too large 9.53925841058432 + 23.8317261527347 split increased to 2 itime 914590 itsplit 1 - acceleration/energy drift too large 7.79055187860155 - 23.0283638090609 split increased to 2 itime 961278 + acceleration/energy drift too large 7.33635983353724 + 19.8127222755395 split increased to 2 itime 915005 itsplit 1 - acceleration/energy drift too large 2.08464270723004 - 16.0700358356114 split increased to 2 itime 961279 + acceleration/energy drift too large 3.48151431215448 + 11.2218821811313 split increased to 2 itime 915007 itsplit 1 - acceleration/energy drift too large 4.74153576939305 - 11.1674513052506 split increased to 2 itime 961769 + acceleration/energy drift too large 4.10632542294466 + 13.0497696370744 split increased to 2 itime 915022 itsplit 1 - acceleration/energy drift too large 4.14293351474291 - 10.2796929589830 split increased to 2 itime 961778 + acceleration/energy drift too large 9.78569117524985 + 51.4740864589150 split increased to 2 itime 915241 itsplit 1 - acceleration/energy drift too large 3.74774896649738 - 12.0458681041903 split increased to 2 itime 962089 + acceleration/energy drift too large 6.82349686974094 + 11.6662522868597 split increased to 2 itime 916490 itsplit 1 - acceleration/energy drift too large 8.48233251900257 - 43.2608504669463 split increased to 2 itime 962328 + acceleration/energy drift too large 2.74022016143286 + 10.1010455244959 split increased to 2 itime 917947 itsplit 1 - acceleration/energy drift too large 5.00786122772515 - 38.5047773715209 split increased to 2 itime 962814 + acceleration/energy drift too large 2.94194580192428 + 10.5895677935487 split increased to 2 itime 917971 itsplit 1 - acceleration/energy drift too large 2.39871872120630 - 16.3473324869437 split increased to 2 itime 962982 + acceleration/energy drift too large 2.82987203862736 + 11.7440458452996 split increased to 2 itime 918684 itsplit 1 - acceleration/energy drift too large 3.83535497728311 - 10.9887896007083 split increased to 2 itime 962998 + acceleration/energy drift too large 3.00173322785880 + 25.0402825339256 split increased to 2 itime 919194 itsplit 1 - acceleration/energy drift too large 2.05005736932341 - 11.5738328241628 split increased to 2 itime 963040 + acceleration/energy drift too large 2.99244821271598 + 11.0034601559579 split increased to 2 itime 919201 itsplit 1 - acceleration/energy drift too large 3.41430820574516 - 10.4186461791752 split increased to 2 itime 963531 + acceleration/energy drift too large 6.02766240115596 + 14.8292955735467 split increased to 2 itime 919207 itsplit 1 - acceleration/energy drift too large 3.30147796988413 - 12.6161424537020 split increased to 2 itime 963973 + acceleration/energy drift too large 3.63575502704983 + 11.6958101490394 split increased to 2 itime 919269 itsplit 1 - acceleration/energy drift too large 2.22865457728983 - 11.7879794116842 split increased to 2 itime 965816 + acceleration/energy drift too large 9.55824968091900 + 45.0413460650973 split increased to 2 itime 922102 itsplit 1 - acceleration/energy drift too large 2.55782026615760 - 11.8343337239808 split increased to 2 itime 965823 + acceleration/energy drift too large 5.50561610467060 + 12.6180871997014 split increased to 2 itime 923657 itsplit 1 - acceleration/energy drift too large 4.84338277650784 - 11.6605385158149 split increased to 2 itime 966604 + acceleration/energy drift too large 3.67059804217777 + 10.6979141333425 split increased to 2 itime 926714 itsplit 1 - acceleration/energy drift too large 4.64082845912964 - 18.5574543760521 split increased to 2 itime 967752 + acceleration/energy drift too large 2.87037855157929 + 11.0114182279410 split increased to 2 itime 926960 itsplit 1 - acceleration/energy drift too large 5.42513724717896 - 15.6169787496472 split increased to 2 itime 968137 + acceleration/energy drift too large 3.83599108776069 + 10.6136638404860 split increased to 2 itime 926966 itsplit 1 - acceleration/energy drift too large 3.20713331812597 - 11.0249577903799 split increased to 2 itime 969259 + acceleration/energy drift too large 3.87514699109772 + 11.0254533115330 split increased to 2 itime 926970 itsplit 1 - acceleration/energy drift too large 10.2488922477047 - 51.1617106475574 split increased to 2 itime 972063 + acceleration/energy drift too large 3.06859856212539 + 12.6944728423738 split increased to 2 itime 926972 itsplit 1 - acceleration/energy drift too large 4.55227006439797 - 14.6621376387094 split increased to 2 itime 973887 + acceleration/energy drift too large 3.46351253852467 + 10.2494671797253 split increased to 2 itime 926973 itsplit 1 - acceleration/energy drift too large 5.79576004251907 - 10.3245668021406 split increased to 2 itime 973997 + acceleration/energy drift too large 3.41444583137636 + 10.5729581975494 split increased to 2 itime 926976 itsplit 1 - acceleration/energy drift too large 5.46864502256276 - 11.2835176046246 split increased to 2 itime 974894 + acceleration/energy drift too large 5.21210460392176 + 13.1796326048392 split increased to 2 itime 926978 itsplit 1 - acceleration/energy drift too large 3.82748289729853 - 14.8961586863026 split increased to 2 itime 974895 + acceleration/energy drift too large 3.65983122892536 + 26.9572238171532 split increased to 2 itime 926979 itsplit 1 - acceleration/energy drift too large 2.24583373569801 - 10.1235734121834 split increased to 2 itime 975129 + acceleration/energy drift too large 2.47157881740424 + 10.2678318520229 split increased to 2 itime 926981 itsplit 1 - acceleration/energy drift too large 8.20787125800904 - 26.9269317401577 split increased to 2 itime 975502 + acceleration/energy drift too large 2.85645612421451 + 10.9145414840742 split increased to 2 itime 926990 itsplit 1 - acceleration/energy drift too large 3.97383169777160 - 15.8069500769206 split increased to 2 itime 975508 + acceleration/energy drift too large 3.15608449228603 + 13.0220703611050 split increased to 2 itime 926996 itsplit 1 - acceleration/energy drift too large 5.27863868887135 - 11.8628414616925 split increased to 2 itime 975765 + acceleration/energy drift too large 3.82571307812826 + 10.8922793852159 split increased to 2 itime 927000 itsplit 1 - acceleration/energy drift too large 2.52486758311415 - 12.0397478927813 split increased to 2 itime 975821 + acceleration/energy drift too large 2.27942364753828 + 13.7694575846206 split increased to 2 itime 927008 itsplit 1 - acceleration/energy drift too large 3.94825550639467 - 11.6884111118321 split increased to 2 itime 975826 + acceleration/energy drift too large 3.09016258161837 + 16.5599521943510 split increased to 2 itime 927009 itsplit 1 - acceleration/energy drift too large 4.42558661268700 - 18.5132758329079 split increased to 2 itime 977032 + acceleration/energy drift too large 3.18421294728376 + 10.0454781191284 split increased to 2 itime 927015 itsplit 1 - acceleration/energy drift too large 3.29614207087839 - 12.0045314129445 split increased to 2 itime 978069 + acceleration/energy drift too large 2.70969727357187 + 15.5925461600440 split increased to 2 itime 927018 itsplit 1 - acceleration/energy drift too large 3.47890541763180 - 11.1434369573966 split increased to 2 itime 978098 + acceleration/energy drift too large 2.88282001617242 + 14.1283319381754 split increased to 2 itime 927019 itsplit 1 - acceleration/energy drift too large 6.55259268269142 - 30.8370102170399 split increased to 2 itime 978602 + acceleration/energy drift too large 3.45495914637524 + 10.2673275171171 split increased to 2 itime 927034 itsplit 1 - acceleration/energy drift too large 2.94019769238794 - 10.1429174242077 split increased to 2 itime 979570 + acceleration/energy drift too large 2.50607075740897 + 10.9243714819508 split increased to 2 itime 927083 itsplit 1 - acceleration/energy drift too large 5.90574632060437 - 22.9355639323596 split increased to 2 itime 979722 + acceleration/energy drift too large 3.75318427236537 + 10.2977764810336 split increased to 2 itime 927178 itsplit 1 - acceleration/energy drift too large 2.73058838083181 - 10.3239075325505 split increased to 2 itime 980215 + acceleration/energy drift too large 2.71375807232855 + 17.9366836908205 split increased to 2 itime 927179 itsplit 1 - acceleration/energy drift too large 3.58505527635360 - 10.6673710400190 split increased to 2 itime 980284 + acceleration/energy drift too large 3.69770394815231 + 12.1854056584926 split increased to 2 itime 927196 itsplit 1 - acceleration/energy drift too large 7.03288997449475 - 36.1844328451115 split increased to 2 itime 980409 + acceleration/energy drift too large 1.99682977481860 + 14.1522017669013 split increased to 2 itime 927202 itsplit 1 - acceleration/energy drift too large 5.21164852666080 - 30.6486759594224 split increased to 2 itime 981759 + acceleration/energy drift too large 5.54698662007708 + 10.3967947650435 split increased to 2 itime 927206 itsplit 1 - acceleration/energy drift too large 5.36080237136695 - 12.2103086903814 split increased to 2 itime 982775 + acceleration/energy drift too large 2.70288862979091 + 12.3910446374871 split increased to 2 itime 927207 itsplit 1 - acceleration/energy drift too large 4.57893384842436 - 15.4567936435162 split increased to 2 itime 982887 + acceleration/energy drift too large 3.37223749022815 + 12.5286667840265 split increased to 2 itime 927214 itsplit 1 - acceleration/energy drift too large 2.06884256824741 - 13.0885150320346 split increased to 2 itime 983184 + acceleration/energy drift too large 3.55972287078091 + 12.2018193165741 split increased to 2 itime 927235 itsplit 1 - acceleration/energy drift too large 7.62805236934620 - 24.6153125398548 split increased to 2 itime 983465 + acceleration/energy drift too large 2.76073460283047 + 10.1915918099292 split increased to 2 itime 927284 itsplit 1 - acceleration/energy drift too large 5.55554314126233 - 35.8105646676478 split increased to 2 itime 983478 + acceleration/energy drift too large 4.05274610413843 + 10.0991188694881 split increased to 2 itime 933738 itsplit 1 - acceleration/energy drift too large 3.71941446628352 - 10.6607602772641 split increased to 2 itime 983479 + acceleration/energy drift too large 5.23977091259578 + 12.4834656884951 split increased to 2 itime 933995 itsplit 1 - acceleration/energy drift too large 4.68334213163411 - 23.6807500448967 split increased to 2 itime 983492 + acceleration/energy drift too large 3.25498406440961 + 10.3007320458467 split increased to 2 itime 938250 itsplit 1 - acceleration/energy drift too large 4.49771787303815 - 11.8986687315346 split increased to 2 itime 983870 + acceleration/energy drift too large 2.94304604625915 + 12.2444726278912 split increased to 2 itime 938253 itsplit 1 - acceleration/energy drift too large 3.53416897872721 - 12.0662969455353 split increased to 2 itime 984005 + acceleration/energy drift too large 2.05798405881767 + 11.5002360879095 split increased to 2 itime 938328 itsplit 1 - acceleration/energy drift too large 7.50040157925854 - 33.9637754075882 split increased to 2 itime 984064 + acceleration/energy drift too large 3.44964489780285 + 24.1476988477790 split increased to 2 itime 939850 itsplit 1 - acceleration/energy drift too large 6.76739633076494 - 11.5881989924572 split increased to 2 itime 984474 + acceleration/energy drift too large 6.78885229817901 + 16.5900023799422 split increased to 2 itime 943471 itsplit 1 - acceleration/energy drift too large 5.83730629901757 - 34.8697292829203 split increased to 2 itime 984601 + acceleration/energy drift too large 5.82678507210135 + 24.6340779037091 split increased to 2 itime 944680 itsplit 1 - acceleration/energy drift too large 2.85894760292279 - 12.1272024733112 split increased to 2 itime 985458 + acceleration/energy drift too large 5.18940440922303 + 12.7007904037800 split increased to 2 itime 945498 itsplit 1 - acceleration/energy drift too large 4.16053886804174 - 10.8952614714032 split increased to 2 itime 986206 + acceleration/energy drift too large 5.35428437652620 + 11.7535133734239 split increased to 2 itime 950427 itsplit 1 - acceleration/energy drift too large 2.62650039395365 - 10.4790943792781 split increased to 2 itime 986258 + acceleration/energy drift too large 4.55162592862716 + 10.8719958973851 split increased to 2 itime 951077 itsplit 1 - acceleration/energy drift too large 3.41783660885226 - 13.9379720024929 split increased to 2 itime 986573 + acceleration/energy drift too large 6.38147579821281 + 25.5401187665015 split increased to 2 itime 951175 itsplit 1 - acceleration/energy drift too large 5.00402058314798 - 14.5425624069117 split increased to 2 itime 986896 + acceleration/energy drift too large 4.26729194647760 + 10.1537846942208 split increased to 2 itime 951259 itsplit 1 - acceleration/energy drift too large 2.54682746581876 - 11.4881415595367 split increased to 2 itime 986897 + acceleration/energy drift too large 4.76878350078769 + 11.6116472107122 split increased to 2 itime 951754 itsplit 1 - acceleration/energy drift too large 2.56483516846129 - 11.9751650710013 split increased to 2 itime 987003 + acceleration/energy drift too large 8.77958285185338 + 30.4534713706681 split increased to 2 itime 952778 itsplit 1 - acceleration/energy drift too large 3.24258291378299 - 11.0498770434785 split increased to 2 itime 987007 + acceleration/energy drift too large 3.56125187587214 + 10.3168465365286 split increased to 2 itime 953676 itsplit 1 - acceleration/energy drift too large 4.44801738824107 - 10.9817200839115 split increased to 2 itime 987933 + acceleration/energy drift too large 3.81612277478126 + 10.1488231153088 split increased to 2 itime 953683 itsplit 1 - acceleration/energy drift too large 6.47953793889234 - 16.8762767054426 split increased to 2 itime 987939 + acceleration/energy drift too large 3.33931536850662 + 10.5224166868613 split increased to 2 itime 954051 itsplit 1 - acceleration/energy drift too large 2.74131846282361 - 11.9739061953253 split increased to 2 itime 987940 + acceleration/energy drift too large 5.39546570956672 + 10.2259661090390 split increased to 2 itime 954168 itsplit 1 - acceleration/energy drift too large 5.21884756257283 - 16.0146323195793 split increased to 2 itime 988156 + acceleration/energy drift too large 5.01868309144268 + 12.2560169529860 split increased to 2 itime 954247 itsplit 1 - acceleration/energy drift too large 6.98303064757951 - 52.5269086138375 split increased to 2 itime 988653 + acceleration/energy drift too large 2.88496402964613 + 10.3921477842572 split increased to 2 itime 954789 itsplit 1 - acceleration/energy drift too large 7.44371664691160 - 17.1999209717626 split increased to 2 itime 988717 + acceleration/energy drift too large 2.54908704555533 + 10.5976018513555 split increased to 2 itime 954818 itsplit 1 - acceleration/energy drift too large 3.41518530570218 - 11.7230712241242 split increased to 2 itime 989243 + acceleration/energy drift too large 2.98289557057861 + 10.6346457535264 split increased to 2 itime 954825 itsplit 1 - acceleration/energy drift too large 4.86997826218766 - 23.7042923467332 split increased to 2 itime 989645 + acceleration/energy drift too large 3.31385324987540 + 10.6927502609962 split increased to 2 itime 956021 itsplit 1 - acceleration/energy drift too large 6.56861396867082 - 16.3197831423529 split increased to 2 itime 989687 + acceleration/energy drift too large 5.82454924506218 + 10.3506060040066 split increased to 2 itime 958958 itsplit 1 - acceleration/energy drift too large 3.47814528665630 - 10.1964822142602 split increased to 2 itime 989802 + acceleration/energy drift too large 7.90187303128310 + 24.0423129854359 split increased to 2 itime 959066 itsplit 1 - acceleration/energy drift too large 5.83205218997564 - 31.6207589582694 split increased to 2 itime 990836 + acceleration/energy drift too large 4.84078628479393 + 10.8721029701479 split increased to 2 itime 959950 itsplit 1 - acceleration/energy drift too large 10.1525046370308 - 40.5206722200691 split increased to 2 itime 991054 + acceleration/energy drift too large 5.38140146381624 + 12.0821188629450 split increased to 2 itime 960750 itsplit 1 - acceleration/energy drift too large 4.70385478390376 - 21.4641406840745 split increased to 2 itime 991080 + acceleration/energy drift too large 2.45200560225983 + 12.2138919788738 split increased to 2 itime 963598 itsplit 1 - acceleration/energy drift too large 7.05811533646673 - 45.6207028602283 split increased to 2 itime 991097 + acceleration/energy drift too large 4.80829251553583 + 18.0786950351927 split increased to 2 itime 964756 itsplit 1 - acceleration/energy drift too large 5.88995059991438 - 10.4593199435289 split increased to 2 itime 991730 + acceleration/energy drift too large 1.92684696104599 + 14.3225498468162 split increased to 2 itime 965005 itsplit 1 - acceleration/energy drift too large 4.79904589349359 - 15.2433834267384 split increased to 2 itime 991851 + acceleration/energy drift too large 3.38051856673097 + 13.5164443579456 split increased to 2 itime 966501 itsplit 1 - acceleration/energy drift too large 6.03164547020882 - 25.6011054229065 split increased to 2 itime 992147 + acceleration/energy drift too large 5.02392232851096 + 18.2014384280205 split increased to 2 itime 968651 itsplit 1 - acceleration/energy drift too large 4.27944235575244 - 13.4118808691173 split increased to 2 itime 992624 + acceleration/energy drift too large 10.8939133147482 + 37.9792756831615 split increased to 2 itime 969921 itsplit 1 - acceleration/energy drift too large 3.79611835588981 - 10.8014395272193 split increased to 2 itime 993601 + acceleration/energy drift too large 6.25537857545006 + 15.7930940357674 split increased to 2 itime 973435 itsplit 1 - acceleration/energy drift too large 9.81593007379842 - 43.8211427883116 split increased to 2 itime 993687 + acceleration/energy drift too large 4.95303977839136 + 10.3895854620251 split increased to 2 itime 975524 itsplit 1 - acceleration/energy drift too large 5.12745320161781 - 12.7998418418219 split increased to 2 itime 993764 + acceleration/energy drift too large 4.43505836691903 + 12.4499447625922 split increased to 2 itime 976936 itsplit 1 - acceleration/energy drift too large 4.98228140049519 - 28.3171900114535 split increased to 2 itime 994336 + acceleration/energy drift too large 2.22395266345729 + 10.3183961405875 split increased to 2 itime 977785 itsplit 1 - acceleration/energy drift too large 8.93613981531363 - 42.0336053180690 split increased to 2 itime 994388 + acceleration/energy drift too large 7.38517455742916 + 13.7375899126670 split increased to 2 itime 979097 itsplit 1 - acceleration/energy drift too large 3.79687233558780 - 10.2014508288714 split increased to 2 itime 994398 + acceleration/energy drift too large 5.42766800882002 + 11.3746794397026 split increased to 2 itime 979138 itsplit 1 - acceleration/energy drift too large 4.63745639936406 - 12.3600092318219 split increased to 2 itime 994792 + acceleration/energy drift too large 4.69477900799110 + 13.9855929730825 split increased to 2 itime 980937 itsplit 1 - acceleration/energy drift too large 4.34735930023412 - 11.2522827957382 split increased to 2 itime 995328 + acceleration/energy drift too large 4.56709827410279 + 12.2866018672929 split increased to 2 itime 981082 itsplit 1 - acceleration/energy drift too large 5.55778162158401 - 36.1723208783007 split increased to 2 itime 995393 + acceleration/energy drift too large 4.22843662737844 + 15.9986236576054 split increased to 2 itime 983446 itsplit 1 - acceleration/energy drift too large 2.34929096586190 - 14.0106400485427 split increased to 2 itime 996349 + acceleration/energy drift too large 7.28503729750069 + 28.0900437565608 split increased to 2 itime 988502 itsplit 1 - acceleration/energy drift too large 3.40259633126558 - 14.5501924551923 split increased to 2 itime 996414 + acceleration/energy drift too large 3.09892815129042 + 13.1677379200501 split increased to 2 itime 989161 itsplit 1 - acceleration/energy drift too large 4.72936963932838 - 26.0105105100737 split increased to 2 itime 996694 + acceleration/energy drift too large 5.02723350945619 + 14.2627980639176 split increased to 2 itime 990132 itsplit 1 - acceleration/energy drift too large 2.21955470692259 - 12.3022724913458 split increased to 2 itime 997034 + acceleration/energy drift too large 3.62203937128740 + 20.0320284014358 split increased to 2 itime 990751 itsplit 1 - acceleration/energy drift too large 3.39880195626370 - 12.1395913429617 split increased to 2 itime 997485 + acceleration/energy drift too large 4.42295413564357 + 10.6714381752827 split increased to 2 itime 992731 itsplit 1 - acceleration/energy drift too large 3.81575568091670 - 17.9836623913959 split increased to 2 itime 997594 + acceleration/energy drift too large 7.57497282303292 + 17.6580167906195 split increased to 2 itime 993382 itsplit 1 - acceleration/energy drift too large 4.22657043037710 - 14.1146354103959 split increased to 2 itime 997810 + acceleration/energy drift too large 3.78003912651920 + 10.2318302682778 split increased to 2 itime 994149 itsplit 1 - acceleration/energy drift too large 3.82768911597785 - 10.5813534813134 split increased to 2 itime 997839 + acceleration/energy drift too large 1.70558181148873 + 11.2124394008163 split increased to 2 itime 996592 itsplit 1 - acceleration/energy drift too large 3.70661799958021 - 11.6939790119966 split increased to 2 itime 997848 + acceleration/energy drift too large 1.98152789335267 + 10.0315596865563 split increased to 2 itime 998563 itsplit 1 - acceleration/energy drift too large 6.19065081685500 - 20.2550466542341 split increased to 2 itime 998558 + acceleration/energy drift too large 3.31628517915314 + 23.0713856251341 split increased to 2 itime 999178 itsplit 1 - acceleration/energy drift too large 5.61815481700118 - 23.2173197973107 split increased to 2 itime 998728 + acceleration/energy drift too large 7.41509555887398 + 28.0813685506388 split increased to 2 itime 999369 itsplit 1 REMD synchro at 1000000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 writing restart at the end of run =================================== Timing =================================== - MD calculations setup: 3.90625E-03 - Energy & gradient evaluation: 3.80934E+02 + MD calculations setup: 1.56250E-02 + Energy & gradient evaluation: 3.36891E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.65398E+02 + MD steps: 3.96145E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 465.425781250000 sec + Total wall clock time 396.207031250000 sec diff --git a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_GB000.stat b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_GB000.stat index 1905d2d..521db1a 100644 --- a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_GB000.stat +++ b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_GB000.stat @@ -1,101 +1,101 @@ - 0 0.00 26.352 24.996 51.347 12.87 0.000 NaN NaN 0.711 239.075 250.000 15.552 0 - 10000 2000.00 28.020 -14.917 13.103 12.04 0.071 0.000 0.136 1.623 254.213 250.000 15.230 0 - 20000 4000.00 38.093 -5.106 32.987 11.56 0.000 1.000 0.273 3.126 345.603 250.000 15.495 0 - 30000 6000.00 24.223 -23.978 0.245 10.85 0.000 1.000 0.273 1.726 219.766 250.000 14.565 0 - 40000 8000.00 35.146 -11.998 23.148 8.56 0.000 1.000 0.318 1.745 318.867 250.000 12.971 0 - 50000 10000.00 25.151 -18.010 7.141 8.75 0.000 1.000 0.303 2.189 228.184 250.000 13.259 0 - 60000 12000.00 25.393 -23.582 1.811 5.86 0.000 1.000 0.335 1.230 230.375 250.000 7.830 0 - 70000 14000.00 26.408 -32.197 -5.790 5.23 0.214 0.769 0.374 1.835 239.583 250.000 6.619 0 - 80000 16000.00 24.511 -48.789 -24.279 5.38 0.071 0.900 0.245 1.882 222.372 250.000 7.055 0 - 90000 18000.00 29.063 -41.938 -12.876 5.69 0.071 0.909 0.318 1.940 263.672 250.000 7.559 0 - 100000 20000.00 29.313 -45.648 -16.335 5.14 0.143 0.800 0.309 2.673 265.942 250.000 7.017 0 - 110000 22000.00 34.911 -24.556 10.356 4.82 0.143 0.778 0.414 1.978 316.731 290.000 7.002 0 - 120000 24000.00 37.086 -28.310 8.776 4.89 0.214 0.625 0.460 1.648 336.466 290.000 7.366 0 - 130000 26000.00 37.098 -12.481 24.617 6.03 0.214 0.750 0.326 1.475 336.573 290.000 7.229 0 - 140000 28000.00 31.418 -30.131 1.288 4.92 0.143 0.857 0.299 2.564 285.044 290.000 6.941 0 - 150000 30000.00 36.630 -21.648 14.982 5.46 0.143 0.778 0.288 1.708 332.326 290.000 7.152 0 - 160000 32000.00 33.642 -16.657 16.985 5.04 0.143 0.833 0.277 1.748 305.215 290.000 6.973 0 - 170000 34000.00 34.593 -34.114 0.479 5.50 0.071 0.941 0.364 1.612 313.844 290.000 6.432 0 - 180000 36000.00 30.454 -26.643 3.811 5.19 0.214 0.700 0.232 2.116 276.297 290.000 7.181 0 - 190000 38000.00 33.035 -34.165 -1.130 4.31 0.214 0.769 0.381 1.519 299.712 290.000 6.889 0 - 200000 40000.00 32.805 -35.448 -2.643 3.44 0.286 0.600 0.382 1.727 297.620 290.000 6.550 0 - 210000 42000.00 31.757 -40.768 -9.012 2.75 0.357 0.583 0.337 2.339 288.111 280.000 6.617 0 - 220000 44000.00 34.055 -40.540 -6.485 3.26 0.286 0.750 0.372 2.676 308.965 280.000 6.614 0 - 230000 46000.00 28.045 -52.290 -24.244 3.47 0.286 0.733 0.348 0.713 254.443 280.000 6.414 0 - 240000 48000.00 39.501 -43.358 -3.857 2.47 0.500 0.533 0.327 3.000 358.376 280.000 6.385 0 - 250000 50000.00 36.528 -50.614 -14.086 2.27 0.429 0.538 0.304 2.114 331.400 280.000 6.956 0 - 260000 52000.00 36.141 -51.417 -15.277 2.82 0.429 0.600 0.330 2.385 327.886 280.000 6.645 0 - 270000 54000.00 32.266 -47.766 -15.500 3.18 0.357 0.615 0.283 1.897 292.730 280.000 6.783 0 - 280000 56000.00 27.534 -38.058 -10.524 2.53 0.357 0.643 0.234 1.053 249.806 280.000 6.930 0 - 290000 58000.00 27.535 -50.146 -22.611 3.68 0.429 0.625 0.307 1.312 249.812 280.000 6.829 0 - 300000 60000.00 29.778 -49.696 -19.918 3.47 0.357 0.615 0.280 1.417 270.157 280.000 6.433 0 - 310000 62000.00 26.440 -49.230 -22.790 2.23 0.357 0.615 0.294 1.130 239.873 270.000 6.719 0 - 320000 64000.00 34.640 -51.835 -17.195 2.95 0.429 0.667 0.311 3.917 314.276 270.000 6.461 0 - 330000 66000.00 31.863 -54.255 -22.391 2.47 0.500 0.462 0.255 1.361 289.079 270.000 6.651 0 - 340000 68000.00 39.242 -45.983 -6.741 2.16 0.500 0.417 0.246 1.951 356.020 270.000 6.588 0 - 350000 70000.00 29.521 -50.999 -21.478 1.96 0.571 0.500 0.276 1.030 267.829 270.000 6.568 0 - 360000 72000.00 29.897 -50.337 -20.440 2.10 0.429 0.600 0.333 1.372 271.238 270.000 6.684 0 - 370000 74000.00 33.697 -49.352 -15.655 2.10 0.500 0.562 0.236 1.066 305.719 270.000 6.913 0 - 380000 76000.00 34.254 -48.725 -14.471 2.14 0.429 0.647 0.356 1.285 310.770 270.000 6.512 0 - 390000 78000.00 34.827 -43.348 -8.521 3.26 0.214 0.667 0.202 1.913 315.970 270.000 7.144 0 - 400000 80000.00 33.897 -47.881 -13.983 2.69 0.357 0.545 0.227 1.861 307.534 270.000 7.267 0 - 410000 82000.00 27.096 -33.686 -6.590 3.06 0.357 0.545 0.244 1.541 245.828 280.000 6.679 0 - 420000 84000.00 37.286 -33.770 3.516 3.39 0.286 0.600 0.236 1.465 338.280 280.000 7.204 0 - 430000 86000.00 29.683 -50.287 -20.604 3.43 0.214 0.800 0.348 2.009 269.295 280.000 6.515 0 - 440000 88000.00 33.962 -42.376 -8.414 2.64 0.429 0.538 0.269 1.016 308.120 280.000 6.923 0 - 450000 90000.00 31.624 -53.114 -21.491 3.09 0.500 0.562 0.284 1.684 286.908 280.000 6.657 0 - 460000 92000.00 22.716 -46.993 -24.277 2.57 0.571 0.467 0.376 1.988 206.089 280.000 6.400 0 - 470000 94000.00 22.776 -48.211 -25.435 2.23 0.500 0.588 0.305 1.140 206.635 280.000 6.709 0 - 480000 96000.00 41.306 -37.252 4.054 3.87 0.429 0.600 0.358 2.877 374.751 280.000 6.461 0 - 490000 98000.00 22.600 -39.847 -17.247 3.00 0.500 0.588 0.393 0.741 205.035 280.000 7.067 0 - 500000 100000.00 33.662 -36.296 -2.634 3.63 0.429 0.600 0.330 1.840 305.396 280.000 6.241 0 - 510000 102000.00 32.950 -58.841 -25.890 3.40 0.429 0.625 0.395 1.164 298.942 270.000 6.278 0 - 520000 104000.00 33.732 -50.904 -17.172 4.46 0.500 0.632 0.371 0.944 306.038 270.000 6.008 0 - 530000 106000.00 27.093 -38.355 -11.261 4.10 0.429 0.667 0.376 2.209 245.806 270.000 6.285 0 - 540000 108000.00 32.030 -48.539 -16.509 3.44 0.357 0.643 0.318 1.256 290.597 270.000 6.708 0 - 550000 110000.00 33.300 -57.139 -23.839 4.24 0.643 0.471 0.385 1.012 302.118 270.000 6.375 0 - 560000 112000.00 38.020 -50.724 -12.704 3.55 0.429 0.600 0.321 1.129 344.939 270.000 6.460 0 - 570000 114000.00 29.574 -41.393 -11.819 3.36 0.357 0.500 0.227 1.759 268.315 270.000 7.167 0 - 580000 116000.00 31.329 -35.350 -4.021 3.19 0.357 0.706 0.299 1.672 284.235 270.000 6.422 0 - 590000 118000.00 23.660 -32.954 -9.293 3.29 0.357 0.375 0.182 1.527 214.656 270.000 7.366 0 - 600000 120000.00 36.998 -40.717 -3.719 2.87 0.357 0.545 0.223 1.040 335.668 270.000 6.902 0 - 610000 122000.00 26.588 -37.631 -11.043 4.04 0.143 0.833 0.326 2.126 241.224 290.000 7.327 0 - 620000 124000.00 32.302 -27.004 5.297 4.91 0.214 0.667 0.247 1.405 293.057 290.000 7.499 0 - 630000 126000.00 30.216 -39.709 -9.493 3.90 0.286 0.733 0.367 1.753 274.135 290.000 6.719 0 - 640000 128000.00 36.485 -39.687 -3.202 4.32 0.214 0.769 0.262 1.763 331.012 290.000 6.820 0 - 650000 130000.00 43.346 -35.596 7.750 3.53 0.357 0.583 0.254 1.253 393.255 290.000 7.264 0 - 660000 132000.00 31.364 -34.505 -3.141 4.41 0.286 0.692 0.273 2.038 284.548 290.000 7.007 0 - 670000 134000.00 32.467 -31.771 0.696 4.38 0.357 0.643 0.347 2.321 294.559 290.000 7.350 0 - 680000 136000.00 29.538 -27.661 1.878 5.12 0.214 0.769 0.364 1.760 267.988 290.000 7.302 0 - 690000 138000.00 28.913 -43.142 -14.229 3.91 0.214 0.812 0.341 1.608 262.317 290.000 6.948 0 - 700000 140000.00 37.084 -39.726 -2.641 3.65 0.286 0.636 0.302 2.940 336.449 290.000 7.637 0 - 710000 142000.00 32.637 -42.003 -9.366 4.00 0.286 0.636 0.215 1.334 296.099 280.000 7.809 0 - 720000 144000.00 22.927 -40.877 -17.950 3.61 0.214 0.769 0.367 1.605 208.010 280.000 7.601 0 - 730000 146000.00 41.687 -50.338 -8.651 3.75 0.429 0.600 0.327 3.071 378.206 280.000 7.315 0 - 740000 148000.00 38.547 -38.310 0.237 3.93 0.286 0.667 0.212 3.082 349.718 280.000 7.392 0 - 750000 150000.00 31.887 -41.942 -10.056 4.05 0.429 0.600 0.327 2.497 289.293 280.000 7.215 0 - 760000 152000.00 29.599 -49.681 -20.082 3.69 0.357 0.688 0.335 1.629 268.536 280.000 7.028 0 - 770000 154000.00 30.659 -37.571 -6.912 3.72 0.357 0.643 0.269 1.930 278.150 280.000 7.125 0 - 780000 156000.00 32.869 -44.375 -11.506 3.48 0.214 0.769 0.413 1.746 298.203 280.000 6.980 0 - 790000 158000.00 25.046 -31.932 -6.886 3.42 0.500 0.500 0.250 3.779 227.230 280.000 7.070 0 - 800000 160000.00 35.867 -36.585 -0.718 3.77 0.214 0.750 0.371 2.030 325.404 280.000 7.733 0 - 810000 162000.00 31.922 -21.820 10.102 4.60 0.143 0.750 0.347 1.991 289.616 310.000 8.494 0 - 820000 164000.00 31.446 -23.975 7.471 4.62 0.214 0.727 0.393 1.762 285.290 310.000 7.232 0 - 830000 166000.00 31.373 -21.801 9.572 4.68 0.214 0.625 0.438 2.231 284.633 310.000 7.871 0 - 840000 168000.00 35.162 -32.020 3.142 4.97 0.286 0.556 0.268 1.098 319.010 310.000 7.041 0 - 850000 170000.00 41.609 -38.176 3.432 5.40 0.357 0.667 0.367 1.853 377.494 310.000 6.895 0 - 860000 172000.00 33.141 -38.164 -5.023 4.03 0.286 0.714 0.292 1.674 300.674 310.000 6.901 0 - 870000 174000.00 31.803 -35.960 -4.157 5.25 0.214 0.750 0.394 0.824 288.534 310.000 7.114 0 - 880000 176000.00 48.408 -15.881 32.527 2.91 0.357 0.583 0.299 1.845 439.182 310.000 6.966 0 - 890000 178000.00 27.221 -30.635 -3.414 3.15 0.643 0.438 0.381 1.550 246.965 310.000 6.695 0 - 900000 180000.00 42.498 -32.516 9.983 3.49 0.357 0.545 0.314 1.858 385.566 310.000 7.098 0 - 910000 182000.00 36.326 -31.656 4.670 3.23 0.286 0.636 0.405 1.567 329.568 300.000 6.701 0 - 920000 184000.00 37.818 -36.615 1.203 4.94 0.143 0.833 0.409 2.273 343.107 300.000 6.677 0 - 930000 186000.00 33.592 -42.935 -9.342 4.10 0.357 0.688 0.423 1.854 304.767 300.000 6.787 0 - 940000 188000.00 31.031 -24.429 6.602 4.49 0.214 0.727 0.355 3.072 281.527 300.000 6.944 0 - 950000 190000.00 33.368 -36.149 -2.781 4.58 0.286 0.692 0.283 1.475 302.727 300.000 6.740 0 - 960000 192000.00 30.617 -37.847 -7.230 4.08 0.357 0.688 0.443 2.191 277.776 300.000 6.816 0 - 970000 194000.00 41.259 -37.996 3.263 3.14 0.357 0.688 0.347 1.319 374.319 300.000 6.641 0 - 980000 196000.00 35.099 -33.180 1.919 3.79 0.214 0.800 0.373 2.031 318.440 300.000 6.676 0 - 990000 198000.00 29.453 -38.610 -9.157 4.26 0.286 0.750 0.324 1.107 267.214 300.000 6.412 0 - 1000000 200000.00 38.755 -35.345 3.410 4.22 0.357 0.643 0.406 1.210 351.608 300.000 6.971 0 + 0 0.00 26.352 22.641 48.993 12.87 0.000 NaN NaN 0.959 239.075 250.000 15.552 0 + 10000 2000.00 28.915 -18.508 10.407 11.80 0.000 NaN NaN 1.343 262.332 250.000 15.358 0 + 20000 4000.00 37.297 -16.445 20.852 13.40 0.000 NaN NaN 2.821 338.376 250.000 17.458 0 + 30000 6000.00 30.356 -11.125 19.231 13.69 0.000 NaN NaN 2.342 275.403 250.000 17.134 0 + 40000 8000.00 33.809 -17.569 16.241 11.80 0.071 0.000 0.136 1.356 306.737 250.000 15.225 0 + 50000 10000.00 26.944 -7.536 19.408 10.32 0.000 1.000 0.250 1.439 244.448 250.000 13.899 0 + 60000 12000.00 24.721 -61.502 -36.781 5.69 0.357 0.545 0.202 2.428 224.283 250.000 7.603 0 + 70000 14000.00 24.228 -58.027 -33.798 5.63 0.429 0.647 0.203 1.680 219.810 250.000 7.157 0 + 80000 16000.00 26.343 -48.472 -22.129 4.41 0.143 0.818 0.227 2.146 238.997 250.000 7.391 0 + 90000 18000.00 25.175 -71.945 -46.770 2.69 0.429 0.647 0.291 2.549 228.397 250.000 6.414 0 + 100000 20000.00 33.726 -61.223 -27.497 3.09 0.357 0.737 0.294 1.749 305.980 250.000 6.404 0 + 110000 22000.00 26.559 -67.999 -41.440 2.52 0.429 0.647 0.316 1.861 240.959 250.000 6.380 0 + 120000 24000.00 28.270 -66.710 -38.440 2.86 0.357 0.722 0.321 1.502 256.484 250.000 6.368 0 + 130000 26000.00 37.370 -68.770 -31.399 2.99 0.429 0.600 0.242 2.491 339.041 250.000 6.362 0 + 140000 28000.00 34.470 -60.069 -25.599 2.76 0.357 0.706 0.283 1.834 312.728 250.000 6.495 0 + 150000 30000.00 25.102 -65.492 -40.391 3.24 0.357 0.615 0.231 0.663 227.735 250.000 6.892 0 + 160000 32000.00 25.634 -67.278 -41.645 2.76 0.429 0.667 0.311 2.092 232.564 250.000 6.357 0 + 170000 34000.00 29.250 -59.825 -30.575 2.79 0.357 0.737 0.337 1.798 265.371 250.000 6.345 0 + 180000 36000.00 32.600 -72.226 -39.626 2.94 0.429 0.625 0.307 1.391 295.762 250.000 6.293 0 + 190000 38000.00 25.879 -65.621 -39.742 3.26 0.357 0.706 0.318 1.176 234.787 250.000 6.332 0 + 200000 40000.00 26.008 -62.333 -36.326 2.95 0.357 0.706 0.257 1.311 235.955 250.000 6.295 0 + 210000 42000.00 33.694 -70.056 -36.361 3.16 0.357 0.643 0.299 1.543 305.690 250.000 6.257 0 + 220000 44000.00 33.349 -72.256 -38.908 2.99 0.429 0.647 0.313 2.252 302.557 250.000 6.174 0 + 230000 46000.00 32.568 -44.157 -11.588 3.44 0.500 0.588 0.286 2.540 295.478 250.000 6.834 0 + 240000 48000.00 23.997 -60.748 -36.751 3.78 0.429 0.739 0.377 1.254 217.715 250.000 6.278 0 + 250000 50000.00 33.695 -71.004 -37.309 3.28 0.500 0.682 0.335 1.151 305.698 250.000 6.334 0 + 260000 52000.00 32.583 -66.250 -33.667 2.04 0.500 0.500 0.195 0.995 295.611 250.000 6.658 0 + 270000 54000.00 28.226 -61.776 -33.551 2.00 0.786 0.421 0.309 1.832 256.079 250.000 6.524 0 + 280000 56000.00 32.218 -65.342 -33.123 2.69 0.571 0.619 0.245 2.740 292.301 250.000 6.534 0 + 290000 58000.00 27.935 -57.778 -29.843 2.33 0.714 0.474 0.256 1.592 253.438 250.000 6.663 0 + 300000 60000.00 23.300 -58.588 -35.288 1.83 0.643 0.471 0.283 1.668 211.390 250.000 6.821 0 + 310000 62000.00 33.686 -68.926 -35.240 2.58 0.571 0.529 0.251 1.747 305.613 250.000 6.545 0 + 320000 64000.00 26.303 -58.159 -31.856 2.39 0.571 0.636 0.326 2.543 238.639 250.000 6.630 0 + 330000 66000.00 28.026 -65.787 -37.760 3.28 0.643 0.591 0.349 2.016 254.269 250.000 6.105 0 + 340000 68000.00 39.166 -63.552 -24.386 2.84 0.500 0.533 0.321 2.365 355.338 250.000 6.337 0 + 350000 70000.00 28.257 -61.482 -33.225 2.84 0.500 0.533 0.273 1.780 256.364 250.000 6.360 0 + 360000 72000.00 26.925 -72.239 -45.314 2.93 0.500 0.632 0.301 1.675 244.275 250.000 6.299 0 + 370000 74000.00 31.415 -66.522 -35.107 3.03 0.643 0.526 0.294 1.753 285.016 250.000 6.343 0 + 380000 76000.00 30.871 -68.282 -37.411 2.89 0.357 0.706 0.326 1.589 280.077 250.000 6.321 0 + 390000 78000.00 26.235 -56.442 -30.206 2.81 0.429 0.647 0.235 2.095 238.021 250.000 6.526 0 + 400000 80000.00 34.201 -67.917 -33.716 2.93 0.429 0.667 0.295 0.760 310.291 250.000 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275.892 340.000 12.678 7 - 800000 160000.00 43.906 6.825 50.731 10.38 0.000 NaN NaN 2.027 398.339 340.000 13.937 7 - 810000 162000.00 39.756 2.160 41.916 11.89 0.143 0.000 0.159 1.292 360.687 400.000 15.193 7 - 820000 164000.00 55.187 18.835 74.022 8.82 0.071 0.500 0.182 1.762 500.685 400.000 12.542 7 - 830000 166000.00 42.628 -1.354 41.274 10.14 0.143 0.000 0.159 1.684 386.740 400.000 12.815 7 - 840000 168000.00 41.056 13.841 54.897 11.24 0.143 0.000 0.159 2.476 372.482 400.000 14.205 7 - 850000 170000.00 53.054 7.251 60.305 9.66 0.000 1.000 0.182 2.164 481.330 400.000 13.645 7 - 860000 172000.00 53.755 9.069 62.824 12.51 0.000 NaN NaN 2.348 487.696 400.000 16.026 7 - 870000 174000.00 34.003 -9.676 24.327 8.20 0.143 0.500 0.170 2.352 308.494 400.000 12.303 7 - 880000 176000.00 44.342 -0.284 44.057 8.90 0.000 NaN NaN 2.429 402.293 400.000 11.571 7 - 890000 178000.00 39.846 3.982 43.829 8.64 0.071 0.000 0.182 2.287 361.506 400.000 13.152 7 - 900000 180000.00 40.099 9.120 49.219 6.64 0.000 1.000 0.258 3.112 363.800 400.000 9.142 7 - 910000 182000.00 39.000 7.486 46.486 7.20 0.000 1.000 0.136 1.273 353.831 390.000 11.067 7 - 920000 184000.00 60.323 12.978 73.301 5.64 0.214 0.250 0.159 1.926 547.281 390.000 10.368 7 - 930000 186000.00 42.004 7.784 49.788 6.96 0.143 0.000 0.182 5.481 381.086 390.000 11.731 7 - 940000 188000.00 40.761 3.065 43.825 5.49 0.071 0.667 0.152 1.855 369.801 390.000 9.673 7 - 950000 190000.00 45.979 -10.070 35.909 4.01 0.214 0.250 0.420 1.975 417.148 390.000 8.729 7 - 960000 192000.00 39.128 -3.239 35.889 4.48 0.000 1.000 0.182 1.925 354.988 390.000 9.551 7 - 970000 194000.00 47.643 -6.811 40.831 4.32 0.071 0.800 0.409 2.992 432.239 390.000 8.095 7 - 980000 196000.00 44.534 12.074 56.608 4.48 0.143 0.667 0.485 2.528 404.038 390.000 8.584 7 - 990000 198000.00 59.163 -1.699 57.464 5.58 0.000 NaN NaN 1.001 536.756 390.000 10.595 7 - 1000000 200000.00 47.523 -0.326 47.197 6.09 0.000 1.000 0.136 2.795 431.155 390.000 10.915 7 + 0 0.00 39.801 22.363 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0.750 0.216 3.070 242.008 290.000 9.587 7 + 440000 88000.00 35.746 -37.285 -1.539 8.27 0.214 0.500 0.159 1.570 324.310 290.000 11.126 7 + 450000 90000.00 34.149 -32.376 1.773 8.65 0.357 0.444 0.162 1.562 309.818 290.000 12.251 7 + 460000 92000.00 31.439 -31.206 0.233 5.90 0.214 0.500 0.159 1.004 285.231 290.000 9.405 7 + 470000 94000.00 36.030 -38.125 -2.095 7.04 0.214 0.625 0.176 0.792 326.884 290.000 10.267 7 + 480000 96000.00 35.226 -39.380 -4.154 8.80 0.214 0.625 0.188 2.124 319.585 290.000 11.294 7 + 490000 98000.00 27.653 -37.134 -9.481 8.03 0.214 0.500 0.189 1.268 250.886 290.000 10.694 7 + 500000 100000.00 30.039 -36.129 -6.090 7.97 0.214 0.571 0.156 0.917 272.527 290.000 10.614 7 + 510000 102000.00 33.322 -49.282 -15.960 8.23 0.286 0.333 0.152 1.068 302.315 280.000 11.272 7 + 520000 104000.00 27.572 -47.201 -19.630 8.89 0.214 0.625 0.188 2.838 250.144 280.000 11.398 7 + 530000 106000.00 31.236 -39.054 -7.818 8.49 0.143 0.750 0.193 2.092 283.392 280.000 9.615 7 + 540000 108000.00 39.372 -43.766 -4.394 7.50 0.143 0.714 0.182 1.718 357.206 280.000 9.397 7 + 550000 110000.00 28.410 -40.699 -12.288 6.92 0.143 0.750 0.193 2.050 257.754 280.000 10.047 7 + 560000 112000.00 31.935 -49.449 -17.514 5.60 0.143 0.778 0.242 1.344 289.731 280.000 8.554 7 + 570000 114000.00 33.148 -40.885 -7.737 5.64 0.143 0.714 0.201 1.236 300.737 280.000 8.716 7 + 580000 116000.00 42.627 -48.124 -5.497 4.38 0.214 0.786 0.276 2.567 386.736 280.000 8.032 7 + 590000 118000.00 31.746 -36.051 -4.305 4.98 0.071 0.857 0.273 2.084 288.013 280.000 7.624 7 + 600000 120000.00 34.747 -32.375 2.372 4.95 0.143 0.667 0.250 1.805 315.240 280.000 8.102 7 + 610000 122000.00 27.571 -24.215 3.357 3.57 0.357 0.545 0.244 2.069 250.141 320.000 7.346 7 + 620000 124000.00 37.466 -34.968 2.499 5.33 0.286 0.667 0.242 0.859 339.912 320.000 7.059 7 + 630000 126000.00 32.633 -25.178 7.455 4.88 0.214 0.625 0.335 2.331 296.059 320.000 7.457 7 + 640000 128000.00 40.901 -22.447 18.454 5.68 0.286 0.500 0.250 2.538 371.079 320.000 7.315 7 + 650000 130000.00 38.118 -19.939 18.179 4.13 0.357 0.375 0.335 2.305 345.829 320.000 7.429 7 + 660000 132000.00 37.797 -34.423 3.374 4.56 0.286 0.600 0.223 1.192 342.913 320.000 7.584 7 + 670000 134000.00 32.399 -24.549 7.851 5.98 0.071 0.833 0.295 1.039 293.945 320.000 7.349 7 + 680000 136000.00 30.962 -21.318 9.644 4.95 0.286 0.500 0.222 1.411 280.903 320.000 7.827 7 + 690000 138000.00 35.740 -36.282 -0.541 4.45 0.286 0.556 0.313 1.666 324.256 320.000 7.331 7 + 700000 140000.00 35.143 -29.922 5.221 4.79 0.000 1.000 0.292 0.947 318.835 320.000 7.099 7 + 710000 142000.00 39.620 -17.460 22.160 4.71 0.143 0.778 0.359 1.606 359.452 310.000 7.629 7 + 720000 144000.00 36.330 -39.914 -3.584 4.92 0.071 0.800 0.327 1.914 329.603 310.000 7.538 7 + 730000 146000.00 32.088 -25.369 6.719 4.79 0.286 0.692 0.241 1.244 291.117 310.000 7.432 7 + 740000 148000.00 42.553 -31.616 10.937 4.95 0.357 0.643 0.364 2.492 386.063 310.000 7.095 7 + 750000 150000.00 35.760 -36.639 -0.879 4.77 0.429 0.600 0.361 1.118 324.434 310.000 7.010 7 + 760000 152000.00 24.451 -25.313 -0.862 5.01 0.214 0.786 0.364 1.714 221.832 310.000 7.217 7 + 770000 154000.00 32.060 -35.664 -3.604 5.00 0.214 0.727 0.351 2.261 290.861 310.000 7.204 7 + 780000 156000.00 33.102 -31.868 1.234 3.54 0.286 0.556 0.288 2.106 300.322 310.000 7.703 7 + 790000 158000.00 35.931 -28.297 7.634 4.94 0.071 0.875 0.477 1.571 325.981 310.000 7.145 7 + 800000 160000.00 32.971 -39.798 -6.827 4.67 0.143 0.833 0.348 0.729 299.133 310.000 7.131 7 + 810000 162000.00 40.238 -31.091 9.147 5.00 0.071 0.929 0.383 2.392 365.061 300.000 7.061 7 + 820000 164000.00 30.784 -32.948 -2.164 3.41 0.214 0.250 0.284 1.636 279.286 300.000 7.470 7 + 830000 166000.00 40.361 -44.957 -4.596 3.47 0.143 0.833 0.356 1.641 366.172 300.000 6.915 7 + 840000 168000.00 32.243 -40.235 -7.993 4.43 0.143 0.778 0.384 1.540 292.523 300.000 6.525 7 + 850000 170000.00 33.141 -37.902 -4.761 4.53 0.143 0.833 0.288 1.913 300.671 300.000 6.996 7 + 860000 172000.00 31.714 -44.615 -12.900 3.72 0.143 0.857 0.341 1.623 287.729 300.000 6.785 7 + 870000 174000.00 30.725 -44.093 -13.368 3.83 0.286 0.636 0.331 1.057 278.751 300.000 6.859 7 + 880000 176000.00 37.176 -42.325 -5.149 3.59 0.286 0.692 0.350 1.874 337.278 300.000 6.703 7 + 890000 178000.00 34.357 -50.144 -15.787 3.33 0.214 0.700 0.345 1.787 311.703 300.000 6.796 7 + 900000 180000.00 46.537 -38.066 8.470 3.09 0.286 0.714 0.321 1.545 422.203 300.000 6.642 7 + 910000 182000.00 42.152 -39.635 2.517 2.68 0.357 0.688 0.298 3.505 382.427 290.000 6.836 7 + 920000 184000.00 30.016 -46.794 -16.778 3.29 0.357 0.583 0.212 1.215 272.321 290.000 6.877 7 + 930000 186000.00 29.720 -33.349 -3.629 3.55 0.071 0.933 0.370 1.248 269.637 290.000 6.330 7 + 940000 188000.00 24.313 -52.165 -27.852 3.04 0.429 0.600 0.303 1.906 220.581 290.000 6.986 7 + 950000 190000.00 29.320 -43.378 -14.058 2.65 0.500 0.500 0.247 1.558 266.004 290.000 6.998 7 + 960000 192000.00 25.372 -45.562 -20.190 3.03 0.286 0.636 0.306 1.916 230.190 290.000 6.831 7 + 970000 194000.00 28.013 -45.927 -17.914 2.90 0.357 0.615 0.301 0.760 254.151 290.000 6.674 7 + 980000 196000.00 30.354 -44.456 -14.102 2.91 0.357 0.667 0.309 3.998 275.389 290.000 6.750 7 + 990000 198000.00 30.217 -56.101 -25.883 2.17 0.357 0.643 0.240 1.741 274.146 290.000 6.950 7 + 1000000 200000.00 34.566 -39.432 -4.866 5.23 0.214 0.667 0.182 0.954 313.604 290.000 7.892 7 diff --git a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_MD000.cx b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_MD000.cx index 7d8f88b..8c150fa 100644 Binary files a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_MD000.cx and b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_MD000.cx differ diff --git a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_mremd.rst b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_mremd.rst index 619bfb2..5a9ed12 100644 Binary files a/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_mremd.rst and b/examples/unres/REMD/Langevin/ff_gab/outputs/1L2Y_REMD_mremd.rst differ diff --git a/examples/unres/REMD/Langevin/ff_gab/start.mat b/examples/unres/REMD/Langevin/ff_gab/start.mat index ea14e5b..bcf30f6 100755 --- a/examples/unres/REMD/Langevin/ff_gab/start.mat +++ b/examples/unres/REMD/Langevin/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N Lang-gab +#PBS -N Lang-gab-REMD #PBS -q dque -#PBS -l nodes=2:ppn=8 -# #PBS -l mem=2gb +#PBS -l nodes=1:ppn=8 #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/REMD/Langevin/ff_gab/unres.csh b/examples/unres/REMD/Langevin/ff_gab/unres.csh index bf4dafe..78c7f20 100755 --- a/examples/unres/REMD/Langevin/ff_gab/unres.csh +++ b/examples/unres/REMD/Langevin/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_REMD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD.out_GB000 b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD.out_GB000 index 9520de4..96e83c1 100644 --- a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD.out_GB000 +++ b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_REMD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -170,7 +159,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -302,12 +292,10 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 16 time before 1.171875000000000E-002 + MREMD 8 time before 3.125000000000000E-002 NREP= 16 - i2rep 1 2 3 4 5 6 7 8 9 10 - 11 12 13 14 15 16 - i2set 1 1 1 1 1 1 1 1 1 1 - 1 1 1 1 1 1 + i2rep 1 2 3 4 5 6 7 8 + i2set 1 1 1 1 1 1 1 1 i,j,il,il1,i_index(i,j,il,il1) ifirst 1 nupa 1: 2 @@ -326,22 +314,6 @@ ndowna 6: 5 ndowna 7: 6 nupa 8: 9 ndowna 8: 7 - nupa 9: 10 -ndowna 9: 8 - nupa 10: 11 -ndowna 10: 9 - nupa 11: 12 -ndowna 11: 10 - nupa 12: 13 -ndowna 12: 11 - nupa 13: 14 -ndowna 13: 12 - nupa 14: 15 -ndowna 14: 13 - nupa 15: 16 -ndowna 15: 14 - nupa 16: -ndowna 16: 15 REMD Temperature: 250.00000 ====================MD calculation start==================== Initial velocities randomly generated @@ -371,7 +343,7 @@ ndowna 16: 15 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 + 2.082625259986501E-017 5.819099991138752E-018 -2.000953681163500E-017 alpha-carbon coordinates centroid coordinates @@ -411,84 +383,85 @@ TRP 7 3.800 90.000 180.000 2.605 110.000 -120.000 LEU 8 3.800 90.000 180.000 1.939 110.000 -120.000 LYS 9 3.800 90.000 180.000 2.541 110.000 -120.000 ASP 10 3.800 90.000 180.000 1.709 110.000 -120.000 -GLY 11 3.800 90.000 180.000 0.000 180.000 180.000 -GLY 12 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 11 3.800 90.000 180.000 0.000 0.000 180.000 +GLY 12 3.800 90.000 180.000 0.000 0.000 180.000 PRO 13 3.800 90.000 180.000 1.345 110.000 -120.000 SER 14 3.800 90.000 180.000 1.150 110.000 -120.000 SER 15 3.800 90.000 180.000 1.150 110.000 -120.000 -GLY 16 3.800 90.000 180.000 0.000 180.000 180.000 +GLY 16 3.800 90.000 180.000 0.000 0.000 180.000 ARG 17 3.800 90.000 180.000 3.020 110.000 -120.000 PRO 18 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 19 3.800 90.000 180.000 1.345 110.000 -120.000 PRO 20 3.800 90.000 180.000 1.345 110.000 -120.000 SER 21 3.800 90.000 180.000 1.150 110.000 -120.000 -D 22 3.800 90.000 180.000 0.000 180.000 180.000 - H0= 106.458545596980 +D 22 3.800 90.000 180.000 0.000 0.000 180.000 + H0= 104.104260923463 Potential energy and its components Virtual-chain energies: -EVDW= -1.680592E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 2.387106E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -7.520330E+00 WEIGHT= 8.010569D-01 (p-p) -EVDWPP= -2.624923E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 8.665144E-27 WEIGHT= 1.000000D+00 (stretching) -EBE= 1.082023E+00 WEIGHT= 1.138730D+00 (bending) -ESC= 9.168846E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 2.664535E-15 WEIGHT= 2.223965D+00 (torsional) -ETORSD= -2.547586E+00 WEIGHT= 1.930120D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -4.501075E+00 WEIGHT= 5.672548D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= 2.197932E+01 WEIGHT= 1.970561D-01 (electrostatic-local) -ETURN3= -1.258124E+00 WEIGHT= 2.073316D+00 (turns, 3rd order) -ETURN4= 9.498513E+00 WEIGHT= 8.760064D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.854624E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 2.387106E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -7.520330E+00 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -2.624923E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 8.665144E-27 WEIGHT= 1.000000E+00 (stretching) +EBE= 1.082023E+00 WEIGHT= 1.138730E+00 (bending) +ESC= 9.168846E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 2.664535E-15 WEIGHT= 2.223965E+00 (torsional) +ETORSD= -2.547586E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 0.000000E+00 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -4.501075E+00 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= 2.197932E+01 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= -1.258124E+00 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 9.498513E+00 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 2.499553E+01 (total) +ETOT= 2.264125E+01 (total) Initial: Kinetic energy 2.63515E+01 - potential energy 2.49955E+01 - total energy 5.13470E+01 + potential energy 2.26412E+01 + total energy 4.89928E+01 - maximum acceleration 7.10627E-01 + maximum acceleration 9.59318E-01 - Setup time 1.953125000000000E-002 + Setup time 4.296875000000000E-002 + acceleration/energy drift too large 10.3611455591722 + 8.95538054138852 split increased to 2 itime 7973 + itsplit 1 + acceleration/energy drift too large 10.7010018249519 + 14.1093345874324 split increased to 2 itime 35685 + itsplit 1 + acceleration/energy drift too large 6.58040443437058 + 10.8430547645034 split increased to 2 itime 59480 + itsplit 1 REMD synchro at 100000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 41.2968750000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD gather times= 35.2343750000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 1.00000 1 -ACC 2 260.00000 1.00000 1 +ACC 2 260.00000 0.00000 1 ACC 3 270.00000 0.00000 1 ACC 4 280.00000 1.00000 1 ACC 5 290.00000 1.00000 1 -ACC 6 300.00000 0.00000 1 -ACC 7 310.00000 1.00000 1 -ACC 8 320.00000 1.00000 1 -ACC 9 330.00000 0.00000 1 -ACC 10 340.00000 0.00000 1 -ACC 11 350.00000 0.00000 1 -ACC 12 360.00000 1.00000 1 -ACC 13 370.00000 1.00000 1 -ACC 14 380.00000 1.00000 1 -ACC 15 390.00000 1.00000 1 +ACC 6 300.00000 1.00000 1 +ACC 7 310.00000 0.00000 1 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 REMD synchro at 200000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 82.8515625000000 0.000000000000000E+000 + REMD gather times= 70.9296875000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.50000 2 ACC 2 260.00000 0.50000 2 @@ -497,235 +470,147 @@ ACC 4 280.00000 1.00000 2 ACC 5 290.00000 1.00000 2 ACC 6 300.00000 0.50000 2 ACC 7 310.00000 0.50000 2 -ACC 8 320.00000 1.00000 2 -ACC 9 330.00000 0.00000 2 -ACC 10 340.00000 0.50000 2 -ACC 11 350.00000 0.50000 2 -ACC 12 360.00000 1.00000 2 -ACC 13 370.00000 1.00000 2 -ACC 14 380.00000 1.00000 2 -ACC 15 390.00000 1.00000 2 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 11.7947192637743 - 12.6185934898872 split increased to 2 itime 205273 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 9.99275439499933 + 11.3664447489128 split increased to 2 itime 253885 itsplit 1 REMD synchro at 300000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 125.027343750000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD gather times= 106.582031250000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.33333 3 -ACC 2 260.00000 0.33333 3 -ACC 3 270.00000 0.33333 3 +ACC 2 260.00000 0.66667 3 +ACC 3 270.00000 0.00000 3 ACC 4 280.00000 1.00000 3 ACC 5 290.00000 0.66667 3 -ACC 6 300.00000 0.33333 3 +ACC 6 300.00000 0.66667 3 ACC 7 310.00000 0.66667 3 -ACC 8 320.00000 0.66667 3 -ACC 9 330.00000 0.33333 3 -ACC 10 340.00000 0.66667 3 -ACC 11 350.00000 0.66667 3 -ACC 12 360.00000 1.00000 3 -ACC 13 370.00000 0.66667 3 -ACC 14 380.00000 0.66667 3 -ACC 15 390.00000 1.00000 3 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 11.2341422335143 - 16.0955510188413 split increased to 2 itime 348226 - itsplit 1 REMD synchro at 400000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 166.632812500000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD gather times= 142.128906250000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 ACC 1 250.00000 0.25000 4 -ACC 2 260.00000 0.25000 4 +ACC 2 260.00000 0.50000 4 ACC 3 270.00000 0.25000 4 ACC 4 280.00000 1.00000 4 -ACC 5 290.00000 0.75000 4 -ACC 6 300.00000 0.50000 4 +ACC 5 290.00000 0.50000 4 +ACC 6 300.00000 0.75000 4 ACC 7 310.00000 0.50000 4 -ACC 8 320.00000 0.50000 4 -ACC 9 330.00000 0.50000 4 -ACC 10 340.00000 0.75000 4 -ACC 11 350.00000 0.75000 4 -ACC 12 360.00000 1.00000 4 -ACC 13 370.00000 0.75000 4 -ACC 14 380.00000 0.75000 4 -ACC 15 390.00000 1.00000 4 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 11.1581687600111 - 11.8937809741821 split increased to 2 itime 450747 - itsplit 1 REMD synchro at 500000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 208.304687500000 0.000000000000000E+000 + REMD gather times= 177.871093750000 0.000000000000000E+000 REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.40000 5 -ACC 2 260.00000 0.20000 5 -ACC 3 270.00000 0.20000 5 +ACC 1 250.00000 0.20000 5 +ACC 2 260.00000 0.60000 5 +ACC 3 270.00000 0.40000 5 ACC 4 280.00000 0.80000 5 -ACC 5 290.00000 0.80000 5 -ACC 6 300.00000 0.60000 5 -ACC 7 310.00000 0.40000 5 -ACC 8 320.00000 0.60000 5 -ACC 9 330.00000 0.40000 5 -ACC 10 340.00000 0.80000 5 -ACC 11 350.00000 0.80000 5 -ACC 12 360.00000 1.00000 5 -ACC 13 370.00000 0.80000 5 -ACC 14 380.00000 0.80000 5 -ACC 15 390.00000 0.80000 5 +ACC 5 290.00000 0.60000 5 +ACC 6 300.00000 0.80000 5 +ACC 7 310.00000 0.60000 5 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 11.9473386275269 - 16.6003287460296 split increased to 2 itime 529448 - itsplit 1 - acceleration/energy drift too large 10.7642600253068 - 13.4561498306359 split increased to 2 itime 578217 + acceleration/energy drift too large 11.7543059086948 + 13.1635034452144 split increased to 2 itime 576653 itsplit 1 REMD synchro at 600000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 250.296875000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 213.660156250000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.50000 6 -ACC 2 260.00000 0.33333 6 -ACC 3 270.00000 0.16667 6 -ACC 4 280.00000 0.83333 6 +ACC 1 250.00000 0.16667 6 +ACC 2 260.00000 0.66667 6 +ACC 3 270.00000 0.50000 6 +ACC 4 280.00000 0.66667 6 ACC 5 290.00000 0.66667 6 -ACC 6 300.00000 0.50000 6 +ACC 6 300.00000 0.83333 6 ACC 7 310.00000 0.50000 6 -ACC 8 320.00000 0.66667 6 -ACC 9 330.00000 0.33333 6 -ACC 10 340.00000 0.66667 6 -ACC 11 350.00000 0.83333 6 -ACC 12 360.00000 1.00000 6 -ACC 13 370.00000 0.83333 6 -ACC 14 380.00000 0.83333 6 -ACC 15 390.00000 0.83333 6 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 + REMD exchange time= 0.000000000000000E+000 REMD synchro at 700000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 291.777343750000 0.000000000000000E+000 + REMD gather times= 249.472656250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.57143 7 -ACC 2 260.00000 0.42857 7 -ACC 3 270.00000 0.14286 7 -ACC 4 280.00000 0.71429 7 -ACC 5 290.00000 0.57143 7 -ACC 6 300.00000 0.57143 7 +ACC 1 250.00000 0.14286 7 +ACC 2 260.00000 0.57143 7 +ACC 3 270.00000 0.57143 7 +ACC 4 280.00000 0.57143 7 +ACC 5 290.00000 0.71429 7 +ACC 6 300.00000 0.85714 7 ACC 7 310.00000 0.42857 7 -ACC 8 320.00000 0.71429 7 -ACC 9 330.00000 0.42857 7 -ACC 10 340.00000 0.71429 7 -ACC 11 350.00000 0.71429 7 -ACC 12 360.00000 1.00000 7 -ACC 13 370.00000 0.85714 7 -ACC 14 380.00000 0.85714 7 -ACC 15 390.00000 0.71429 7 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 10.7793195017638 - 13.5481889000988 split increased to 2 itime 789154 - itsplit 1 + REMD exchange time= 3.906250000000000E-003 REMD synchro at 800000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 333.242187500000 0.000000000000000E+000 + REMD gather times= 285.242187500000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.62500 8 +ACC 1 250.00000 0.12500 8 ACC 2 260.00000 0.50000 8 -ACC 3 270.00000 0.25000 8 -ACC 4 280.00000 0.62500 8 -ACC 5 290.00000 0.62500 8 -ACC 6 300.00000 0.62500 8 +ACC 3 270.00000 0.50000 8 +ACC 4 280.00000 0.50000 8 +ACC 5 290.00000 0.75000 8 +ACC 6 300.00000 0.75000 8 ACC 7 310.00000 0.50000 8 -ACC 8 320.00000 0.62500 8 -ACC 9 330.00000 0.37500 8 -ACC 10 340.00000 0.75000 8 -ACC 11 350.00000 0.75000 8 -ACC 12 360.00000 1.00000 8 -ACC 13 370.00000 0.75000 8 -ACC 14 380.00000 0.87500 8 -ACC 15 390.00000 0.75000 8 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 9.66071688513195 - 12.0796171071504 split increased to 2 itime 833577 + acceleration/energy drift too large 9.43075160355213 + 10.4589349545588 split increased to 2 itime 819675 + itsplit 1 + acceleration/energy drift too large 15.4074171885134 + 24.6708605831319 split increased to 2 itime 847263 itsplit 1 REMD synchro at 900000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 375.066406250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 320.910156250000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.66667 9 -ACC 2 260.00000 0.44444 9 -ACC 3 270.00000 0.33333 9 -ACC 4 280.00000 0.66667 9 -ACC 5 290.00000 0.55556 9 +ACC 1 250.00000 0.11111 9 +ACC 2 260.00000 0.55556 9 +ACC 3 270.00000 0.55556 9 +ACC 4 280.00000 0.55556 9 +ACC 5 290.00000 0.77778 9 ACC 6 300.00000 0.66667 9 ACC 7 310.00000 0.44444 9 -ACC 8 320.00000 0.66667 9 -ACC 9 330.00000 0.44444 9 -ACC 10 340.00000 0.66667 9 -ACC 11 350.00000 0.77778 9 -ACC 12 360.00000 0.88889 9 -ACC 13 370.00000 0.77778 9 -ACC 14 380.00000 0.88889 9 -ACC 15 390.00000 0.77778 9 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 12.3943859835290 - 15.4572766810046 split increased to 2 itime 946232 - itsplit 1 - acceleration/energy drift too large 10.5294013063566 - 33.6470754235687 split increased to 2 itime 960546 - itsplit 1 - acceleration/energy drift too large 9.09627417363667 - 10.9619024170769 split increased to 2 itime 972893 - itsplit 1 - acceleration/energy drift too large 10.8429639456552 - 15.8998725659601 split increased to 2 itime 985022 - itsplit 1 - acceleration/energy drift too large 9.22390726200052 - 25.4291482188530 split increased to 2 itime 993966 - itsplit 1 + REMD exchange time= 3.906250000000000E-003 REMD synchro at 1000000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 writing restart at the end of run =================================== Timing =================================== - MD calculations setup: 7.81250E-03 - Energy & gradient evaluation: 3.81410E+02 + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 3.36711E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.19094E+02 + MD steps: 3.56805E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 419.113281250000 sec + Total wall clock time 356.847656250000 sec diff --git a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_GB000.stat b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_GB000.stat index 28ec0ce..516ef66 100644 --- a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_GB000.stat +++ b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_GB000.stat @@ -1,101 +1,101 @@ - 0 0.00 26.352 24.996 51.347 0.000000 12.87 0.000 NaN NaN 0.711 239.075 250.000 15.552 0 - 10000 1000.00 28.687 -22.505 6.182 2.833513 5.22 0.071 0.667 0.182 0.264 260.264 250.000 9.812 0 - 20000 2000.00 35.766 -36.411 -0.645 9.271028 5.91 0.214 0.769 0.332 0.536 324.488 250.000 7.386 0 - 30000 3000.00 29.068 -43.015 -13.947 22.863291 5.29 0.143 0.833 0.409 0.483 263.716 250.000 6.958 0 - 40000 4000.00 19.590 -41.864 -22.274 33.854089 5.68 0.286 0.667 0.383 0.674 177.733 250.000 6.517 0 - 50000 5000.00 26.338 -37.445 -11.106 42.646447 5.39 0.286 0.667 0.299 0.803 238.952 250.000 6.625 0 - 60000 6000.00 23.130 -39.475 -16.345 50.420362 5.88 0.357 0.615 0.325 0.775 209.851 250.000 6.678 0 - 70000 7000.00 33.643 -49.389 -15.746 65.337030 6.30 0.214 0.800 0.376 0.766 305.224 250.000 6.653 0 - 80000 8000.00 26.497 -44.802 -18.305 71.988770 5.65 0.357 0.615 0.315 1.008 240.399 250.000 6.843 0 - 90000 9000.00 27.639 -42.097 -14.458 89.920655 5.02 0.214 0.750 0.390 0.577 250.757 250.000 6.846 0 - 100000 10000.00 31.595 -42.594 -11.000 105.830410 4.97 0.357 0.722 0.407 0.701 286.643 250.000 6.583 0 - 110000 11000.00 28.204 -41.364 -13.160 146.663624 5.43 0.214 0.667 0.333 0.358 255.880 270.000 7.206 0 - 120000 12000.00 26.244 -44.157 -17.913 161.371579 5.38 0.214 0.786 0.429 1.119 238.099 270.000 7.098 0 - 130000 13000.00 32.965 -39.014 -6.049 165.227208 5.89 0.286 0.692 0.332 0.437 299.072 270.000 6.775 0 - 140000 14000.00 29.594 -41.247 -11.652 168.811788 5.53 0.214 0.700 0.441 0.359 268.494 270.000 7.191 0 - 150000 15000.00 29.612 -43.354 -13.742 182.781241 5.39 0.143 0.818 0.488 0.355 268.658 270.000 6.902 0 - 160000 16000.00 41.125 -45.994 -4.869 195.631332 5.66 0.214 0.667 0.359 0.747 373.104 270.000 6.900 0 - 170000 17000.00 33.843 -44.300 -10.457 213.698348 6.46 0.286 0.667 0.330 0.590 307.044 270.000 6.904 0 - 180000 18000.00 32.834 -41.197 -8.363 229.927763 6.17 0.286 0.556 0.288 1.010 297.884 270.000 7.148 0 - 190000 19000.00 33.534 -31.887 1.647 245.897933 4.85 0.286 0.765 0.372 1.041 304.241 270.000 7.048 0 - 200000 20000.00 30.477 -37.723 -7.245 269.811066 5.45 0.143 0.778 0.374 0.942 276.507 270.000 6.977 0 - 210000 21000.00 27.238 -31.916 -4.678 281.138365 6.41 0.143 0.750 0.341 0.428 247.113 270.000 6.759 0 - 220000 22000.00 29.016 -46.503 -17.487 288.073074 5.66 0.143 0.800 0.441 0.962 263.250 270.000 6.796 0 - 230000 23000.00 30.263 -50.806 -20.543 290.686563 4.83 0.286 0.733 0.270 0.462 274.563 270.000 6.979 0 - 240000 24000.00 33.224 -55.057 -21.832 302.659685 4.90 0.214 0.800 0.367 0.838 301.430 270.000 6.640 0 - 250000 25000.00 29.726 -42.459 -12.733 306.356943 4.88 0.214 0.727 0.289 1.079 269.686 270.000 6.999 0 - 260000 26000.00 23.366 -49.411 -26.045 310.351637 6.83 0.143 0.818 0.281 0.521 211.985 270.000 7.087 0 - 270000 27000.00 26.121 -44.682 -18.562 318.016523 6.91 0.143 0.818 0.240 0.570 236.981 270.000 7.451 0 - 280000 28000.00 30.141 -49.415 -19.273 321.016786 6.14 0.286 0.667 0.205 0.796 273.457 270.000 7.648 0 - 290000 29000.00 32.560 -46.998 -14.438 333.905395 3.58 0.357 0.667 0.245 1.221 295.404 270.000 6.927 0 - 300000 30000.00 28.393 -50.325 -21.932 348.051413 4.37 0.286 0.714 0.201 0.752 257.597 270.000 6.909 0 - 310000 31000.00 31.739 -48.944 -17.205 397.256118 1.69 0.500 0.562 0.270 0.731 287.955 290.000 6.641 0 - 320000 32000.00 31.914 -43.142 -11.228 401.247696 2.99 0.357 0.643 0.367 2.399 289.540 290.000 6.838 0 - 330000 33000.00 32.586 -27.775 4.811 417.957913 3.54 0.286 0.636 0.347 0.748 295.634 290.000 6.740 0 - 340000 34000.00 33.276 -40.704 -7.428 432.573249 4.26 0.429 0.667 0.429 1.071 301.898 290.000 6.331 0 - 350000 35000.00 30.622 -43.944 -13.321 446.497379 4.02 0.429 0.571 0.367 0.533 277.823 290.000 6.757 0 - 360000 36000.00 30.434 -45.004 -14.570 453.247470 3.28 0.357 0.643 0.432 0.734 276.114 290.000 6.684 0 - 370000 37000.00 31.592 -33.048 -1.456 469.765559 3.63 0.357 0.643 0.325 0.966 286.620 290.000 6.595 0 - 380000 38000.00 34.210 -38.834 -4.624 486.835083 3.62 0.500 0.611 0.396 0.557 310.370 290.000 6.438 0 - 390000 39000.00 42.929 -47.945 -5.016 486.554451 3.77 0.429 0.625 0.332 0.479 389.474 290.000 6.513 0 - 400000 40000.00 31.256 -30.196 1.060 503.851796 4.47 0.214 0.727 0.240 0.920 283.570 290.000 6.905 0 - 410000 41000.00 34.375 -46.522 -12.147 486.444184 4.02 0.286 0.733 0.361 0.367 311.870 280.000 6.608 0 - 420000 42000.00 22.382 -48.029 -25.647 497.394069 3.34 0.429 0.600 0.352 0.932 203.061 280.000 6.686 0 - 430000 43000.00 38.983 -50.272 -11.289 510.170489 3.51 0.286 0.636 0.318 0.999 353.676 280.000 6.798 0 - 440000 44000.00 31.129 -46.432 -15.303 520.942045 2.93 0.500 0.125 0.176 0.864 282.416 280.000 7.037 0 - 450000 45000.00 32.194 -44.984 -12.789 518.737325 3.78 0.286 0.692 0.283 0.392 292.085 280.000 6.984 0 - 460000 46000.00 30.621 -45.630 -15.009 529.072436 3.41 0.357 0.643 0.383 1.299 277.813 280.000 6.438 0 - 470000 47000.00 31.640 -48.981 -17.342 541.970038 3.40 0.286 0.667 0.390 0.843 287.050 280.000 6.528 0 - 480000 48000.00 26.651 -53.041 -26.390 558.337008 2.97 0.286 0.765 0.345 0.544 241.790 280.000 6.737 0 - 490000 49000.00 22.174 -47.681 -25.506 575.837355 4.02 0.429 0.684 0.409 0.484 201.178 280.000 6.164 0 - 500000 50000.00 27.371 -49.216 -21.845 583.874614 4.73 0.214 0.833 0.399 0.966 248.325 280.000 6.409 0 - 510000 51000.00 26.226 -46.466 -20.240 600.101477 5.77 0.357 0.545 0.186 1.005 237.940 280.000 8.058 0 - 520000 52000.00 26.206 -46.156 -19.950 609.488094 7.00 0.214 0.800 0.221 0.514 237.757 280.000 7.255 0 - 530000 53000.00 29.718 -36.613 -6.895 617.495050 7.00 0.214 0.769 0.206 0.892 269.619 280.000 7.088 0 - 540000 54000.00 32.556 -42.388 -9.832 622.574875 6.72 0.286 0.714 0.231 0.692 295.364 280.000 7.393 0 - 550000 55000.00 27.908 -53.401 -25.493 631.922498 6.78 0.286 0.667 0.208 1.086 253.193 280.000 7.291 0 - 560000 56000.00 36.802 -44.255 -7.453 643.249732 7.39 0.143 0.846 0.255 0.738 333.890 280.000 7.371 0 - 570000 57000.00 34.281 -53.237 -18.956 654.599332 7.01 0.143 0.846 0.273 0.362 311.017 280.000 7.317 0 - 580000 58000.00 28.600 -50.465 -21.866 660.575736 6.19 0.286 0.556 0.232 0.554 259.470 280.000 7.373 0 - 590000 59000.00 28.624 -47.803 -19.180 665.256971 5.26 0.429 0.600 0.309 0.904 259.689 280.000 7.159 0 - 600000 60000.00 30.596 -40.397 -9.801 668.685015 5.22 0.214 0.727 0.347 0.433 277.586 280.000 6.859 0 - 610000 61000.00 37.833 -47.793 -9.961 699.515132 4.88 0.214 0.750 0.284 0.594 343.238 290.000 6.988 0 - 620000 62000.00 31.641 -40.427 -8.786 707.549678 6.86 0.071 0.900 0.241 0.331 287.065 290.000 7.616 0 - 630000 63000.00 32.894 -37.900 -5.006 716.497651 5.12 0.143 0.750 0.205 0.526 298.436 290.000 8.120 0 - 640000 64000.00 27.805 -32.831 -5.025 720.402966 7.12 0.071 0.800 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b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_GB002.stat index bad6b56..5fab768 100644 --- a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_GB002.stat +++ b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_GB002.stat @@ -1,101 +1,101 @@ - 0 0.00 30.100 24.969 55.069 0.000000 12.87 0.000 NaN NaN 0.709 273.080 270.000 15.552 2 - 10000 1000.00 25.127 -33.431 -8.304 32.648777 6.03 0.214 0.500 0.167 1.350 227.967 270.000 10.392 2 - 20000 2000.00 26.150 -43.945 -17.794 48.283277 7.43 0.429 0.455 0.178 0.735 237.250 270.000 10.340 2 - 30000 3000.00 28.879 -49.917 -21.038 53.631673 3.07 0.357 0.444 0.288 0.626 262.009 270.000 6.926 2 - 40000 4000.00 28.658 -48.577 -19.919 57.831252 4.39 0.286 0.692 0.318 0.502 260.000 270.000 6.616 2 - 50000 5000.00 30.256 -48.625 -18.369 63.435595 2.70 0.286 0.636 0.219 0.516 274.499 270.000 6.714 2 - 60000 6000.00 25.594 -47.632 -22.038 66.800671 2.54 0.286 0.692 0.301 0.332 232.202 270.000 6.718 2 - 70000 7000.00 25.965 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299.026 260.000 6.549 2 - 360000 36000.00 23.719 -58.877 -35.158 279.359095 2.86 0.500 0.500 0.279 0.643 215.195 260.000 6.571 2 - 370000 37000.00 24.059 -62.103 -38.044 283.509248 3.18 0.571 0.600 0.268 1.172 218.274 260.000 6.410 2 - 380000 38000.00 30.984 -56.871 -25.888 299.342914 2.81 0.571 0.556 0.240 0.636 281.100 260.000 6.538 2 - 390000 39000.00 27.492 -58.200 -30.708 314.082804 2.60 0.571 0.619 0.307 0.435 249.419 260.000 6.562 2 - 400000 40000.00 32.634 -57.470 -24.836 323.932028 2.77 0.500 0.562 0.210 0.617 296.074 260.000 6.737 2 - 410000 41000.00 27.014 -49.874 -22.860 336.844511 1.77 0.714 0.444 0.321 0.333 245.085 260.000 6.670 2 - 420000 42000.00 29.866 -58.213 -28.348 349.515178 2.00 0.571 0.467 0.297 0.347 270.957 260.000 6.393 2 - 430000 43000.00 27.434 -53.985 -26.551 351.241404 4.00 0.357 0.688 0.270 0.419 248.894 260.000 6.613 2 - 440000 44000.00 22.503 -56.216 -33.714 352.871142 1.99 0.643 0.471 0.275 0.745 204.157 260.000 6.524 2 - 450000 45000.00 32.165 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7.655 7 + 840000 84000.00 29.480 -33.060 -3.580 1405.583196 4.60 0.214 0.700 0.473 0.444 267.456 320.000 7.467 7 + 850000 85000.00 37.830 -31.905 5.925 1435.002631 6.33 0.071 0.900 0.386 0.598 343.212 320.000 7.624 7 + 860000 86000.00 40.779 -27.388 13.391 1454.934980 5.34 0.000 1.000 0.527 1.051 369.969 320.000 8.273 7 + 870000 87000.00 39.716 -28.208 11.508 1465.467814 5.24 0.143 0.714 0.656 0.804 360.327 320.000 8.662 7 + 880000 88000.00 45.747 -25.359 20.389 1494.210919 5.57 0.143 0.750 0.455 0.566 415.044 320.000 7.657 7 + 890000 89000.00 36.081 -27.378 8.703 1535.569561 4.99 0.071 0.857 0.429 0.761 327.344 320.000 8.550 7 + 900000 90000.00 35.438 -21.151 14.287 1592.248144 4.13 0.214 0.667 0.364 1.042 321.507 320.000 7.583 7 + 910000 91000.00 38.247 -32.319 5.928 1606.838065 5.55 0.143 0.778 0.288 0.530 347.001 320.000 7.999 7 + 920000 92000.00 29.759 -17.275 12.484 1646.859725 5.14 0.071 0.800 0.191 1.318 269.985 320.000 8.762 7 + 930000 93000.00 37.783 -15.812 21.971 1684.386405 5.77 0.071 0.800 0.464 0.517 342.788 320.000 7.867 7 + 940000 94000.00 31.569 -17.102 14.467 1712.173476 5.94 0.071 0.889 0.510 0.774 286.413 320.000 7.075 7 + 950000 95000.00 36.199 -35.160 1.039 1739.265003 5.29 0.286 0.714 0.373 0.545 328.412 320.000 7.272 7 + 960000 96000.00 32.766 -28.472 4.294 1746.454520 4.04 0.214 0.700 0.259 0.550 297.274 320.000 7.355 7 + 970000 97000.00 32.261 -32.201 0.060 1757.446138 4.50 0.143 0.818 0.351 0.846 292.690 320.000 7.304 7 + 980000 98000.00 34.513 -39.074 -4.561 1770.245916 4.86 0.214 0.727 0.351 0.365 313.123 320.000 6.972 7 + 990000 99000.00 27.306 -32.234 -4.929 1774.471150 5.22 0.214 0.786 0.250 0.753 247.730 320.000 6.809 7 + 1000000 100000.00 36.537 -28.395 8.142 1781.814267 4.94 0.214 0.667 0.212 1.070 331.485 320.000 8.795 7 diff --git a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_MD000.cx b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_MD000.cx index 402bf89..6403441 100644 Binary files a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_MD000.cx and b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_MD000.cx differ diff --git a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_mremd.rst b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_mremd.rst index d5b0173..3e57c1e 100644 Binary files a/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_mremd.rst and b/examples/unres/REMD/Nose-Hoover/ff_gab/outputs/1L2Y_REMD_mremd.rst differ diff --git a/examples/unres/REMD/Nose-Hoover/ff_gab/start.mat b/examples/unres/REMD/Nose-Hoover/ff_gab/start.mat index d88523e..d0e8aa6 100755 --- a/examples/unres/REMD/Nose-Hoover/ff_gab/start.mat +++ b/examples/unres/REMD/Nose-Hoover/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N Nose-gab +#PBS -N NH-gab-REMD #PBS -q dque -#PBS -l nodes=2:ppn=8 -# #PBS -l mem=2gb +#PBS -l nodes=1:ppn=8 #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/REMD/Nose-Hoover/ff_gab/unres.csh b/examples/unres/REMD/Nose-Hoover/ff_gab/unres.csh index bf4dafe..78c7f20 100755 --- a/examples/unres/REMD/Nose-Hoover/ff_gab/unres.csh +++ b/examples/unres/REMD/Nose-Hoover/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_REMD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 index 64da38b..334c521 100644 --- a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 +++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD.out_GB000 @@ -5,8 +5,8 @@ Output file : 1L2Y_REMD.out_GB000 Sidechain potential file : - /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga - p8g-sc + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-1 + 0-8k SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm Electrostatic potential file : /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm @@ -30,28 +30,17 @@ United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 302 - compiled Mon Jul 23 17:42:12 2012 - compiled by jal47@matrix.chem.cornell.edu - OS name: Linux - OS release: 2.6.34.9-69.fc13.x86_64 - OS version: #1 SMP Tue May 3 09:23:03 UTC 2011 - flags: - INSTALL_DIR = /users/software/mpich-1.2.7p1_int... - FC= ifort - OPT = -g -ip -w -CB - FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include - FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)... - FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include - FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report ... - LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr... - ARCH = LINUX - PP = /lib/cpp -P - object = unres.o arcos.o cartprint.o chainbuild... - GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ... - GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP... - E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR... - E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort... + Version 3.1 build 0 + Compiled Wed Nov 20 08:38:19 EST 2013 + Compiled by pk376@matrix.chem.cornell.edu + OS name: Linux + OS release: Linux-2.6.34.9-69.fc13.x86_64 + Fortran Compiler: /opt/intel/Compiler/11.1/046/bin + /intel64/ifort + MD Force field: GAB + CPPFLAGS = PROCOR -DUNRES -DISNAN -DSPLITELE -DLAN + G0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DLINUX + -DPGI -DMP -DMPI ++++ End of compile info ++++ Potential is GB , exponents are 6 12 @@ -170,7 +159,8 @@ WTURN6= 0.000000 (turns, 6th order) 11.0000000000000 AKCT 12.0000000000000 V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS 13.7000000000000 - EBR -5.50000000000000 + EBR -5.50000000000000 SS_DEPTH -7.39571661678271 + HT 0.000000000000000E+000 PDB data will be read from file ../../../../1L2Y.pdb Nres: 21 Backbone and SC coordinates as read from the PDB @@ -263,77 +253,41 @@ nsup= 20 12 PRO 20 LEU 3 13 PRO 20 TYR 4 14 PRO 20 TRP 7 - j 2 k 3 +dist.constr 1 2 3 3.88 3.70E-02 - j 2 k 4 +dist.constr 2 2 4 5.58 2.68E-02 - j 2 k 5 +dist.constr 3 2 5 5.04 3.01E-02 - j 2 k 6 +dist.constr 4 2 6 6.32 2.25E-02 - j 2 k 7 +dist.constr 5 2 7 8.77 1.07E-02 - j 2 k 8 +dist.constr 6 2 8 9.91 7.02E-03 - j 2 k 9 +dist.constr 7 2 9 10.61 5.25E-03 - j 2 k 10 +dist.constr 8 2 10 12.89 1.80E-03 - j 3 k 4 +dist.constr 9 3 4 3.86 3.71E-02 - j 3 k 5 +dist.constr 10 3 5 5.48 2.74E-02 - j 3 k 6 +dist.constr 11 3 6 5.24 2.89E-02 - j 3 k 7 +dist.constr 12 3 7 6.43 2.19E-02 - j 3 k 8 +dist.constr 13 3 8 8.85 1.04E-02 - j 3 k 9 +dist.constr 14 3 9 10.21 6.21E-03 - j 3 k 10 +dist.constr 15 3 10 11.39 3.74E-03 - j 4 k 5 +dist.constr 16 4 5 3.87 3.70E-02 - j 4 k 6 +dist.constr 17 4 6 5.41 2.78E-02 - j 4 k 7 +dist.constr 18 4 7 4.91 3.09E-02 - j 4 k 8 +dist.constr 19 4 8 6.11 2.37E-02 - j 4 k 9 +dist.constr 20 4 9 8.65 1.12E-02 - j 4 k 10 +dist.constr 21 4 10 10.11 6.47E-03 - j 5 k 6 +dist.constr 22 5 6 3.85 3.72E-02 - j 5 k 7 +dist.constr 23 5 7 5.39 2.80E-02 - j 5 k 8 +dist.constr 24 5 8 5.08 2.99E-02 - j 5 k 9 +dist.constr 25 5 9 6.11 2.37E-02 - j 5 k 10 +dist.constr 26 5 10 8.79 1.07E-02 - j 6 k 7 +dist.constr 27 6 7 3.87 3.71E-02 - j 6 k 8 +dist.constr 28 6 8 5.61 2.67E-02 - j 6 k 9 +dist.constr 29 6 9 5.36 2.82E-02 - j 6 k 10 +dist.constr 30 6 10 6.73 2.02E-02 - j 7 k 8 +dist.constr 31 7 8 3.86 3.71E-02 - j 7 k 9 +dist.constr 32 7 9 5.70 2.61E-02 - j 7 k 10 +dist.constr 33 7 10 5.59 2.68E-02 - j 8 k 9 +dist.constr 34 8 9 3.88 3.70E-02 - j 8 k 10 +dist.constr 35 8 10 5.38 2.80E-02 - j 9 k 10 +dist.constr 36 9 10 3.86 3.71E-02 +dist.constr 1 2 3 3.88 0.00 0 0.0 +dist.constr 2 2 4 5.58 0.00 0 0.0 @@ -446,12 +400,10 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 16 time before 1.171875000000000E-002 + MREMD 8 time before 4.296875000000000E-002 NREP= 16 - i2rep 1 2 3 4 5 6 7 8 9 10 - 11 12 13 14 15 16 - i2set 1 1 1 1 1 1 1 1 1 1 - 1 1 1 1 1 1 + i2rep 1 2 3 4 5 6 7 8 + i2set 1 1 1 1 1 1 1 1 i,j,il,il1,i_index(i,j,il,il1) ifirst 1 nupa 1: 2 @@ -470,22 +422,6 @@ ndowna 6: 5 ndowna 7: 6 nupa 8: 9 ndowna 8: 7 - nupa 9: 10 -ndowna 9: 8 - nupa 10: 11 -ndowna 10: 9 - nupa 11: 12 -ndowna 11: 10 - nupa 12: 13 -ndowna 12: 11 - nupa 13: 14 -ndowna 13: 12 - nupa 14: 15 -ndowna 14: 13 - nupa 15: 16 -ndowna 15: 14 - nupa 16: -ndowna 16: 15 REMD Temperature: 250.00000 ====================MD calculation start==================== Initial velocities randomly generated @@ -515,7 +451,7 @@ ndowna 16: 15 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 2.021371575869251E-017 -1.735521049988750E-018 1.041312629993250E-017 + 8.371336829357502E-018 1.827401576164626E-017 1.510924208225500E-017 alpha-carbon coordinates centroid coordinates @@ -555,3000 +491,2718 @@ TRP 7 3.867 88.657 49.396 3.617 123.650 -21.913 LEU 8 3.859 93.032 48.298 2.105 151.723 -105.899 LYS 9 3.882 94.826 46.843 2.997 106.974 -55.960 ASP 10 3.861 87.966 59.623 1.991 153.447 -128.646 -GLY 11 3.891 89.908 56.679 0.000 180.000 180.000 -GLY 12 3.864 100.181 -87.304 0.000 180.000 180.000 +GLY 11 3.891 89.908 56.679 0.000 0.000 180.000 +GLY 12 3.864 100.181 -87.304 0.000 0.000 180.000 PRO 13 3.886 109.073 -127.499 1.402 101.771 -115.580 SER 14 3.876 89.537 4.261 1.267 144.515 -129.218 SER 15 3.875 91.815 66.108 1.262 161.047 -100.177 -GLY 16 3.866 101.784 70.140 0.000 180.000 180.000 +GLY 16 3.866 101.784 70.140 0.000 0.000 180.000 ARG 17 3.866 92.201 -108.949 3.411 139.846 -132.716 PRO 18 3.878 133.225 103.824 1.397 115.610 -118.024 PRO 19 3.860 121.502 -122.527 1.395 118.575 -122.417 PRO 20 3.858 117.950 -90.285 1.396 118.959 -126.207 SER 21 3.864 114.201 -108.328 0.708 128.925 -37.341 -D 22 3.858 114.201 180.000 0.000 180.000 180.000 +D 22 3.858 114.201 180.000 0.000 0.000 180.000 Potential energy and its components Virtual-chain energies: -EVDW= -1.475487E+01 WEIGHT= 1.352790D+00 (SC-SC) -EVDW2= 4.471415E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -9.165378E+01 WEIGHT= 8.010569D-01 (p-p) -EVDWPP= -3.362882E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 6.750243E+02 WEIGHT= 1.000000D+00 (stretching) -EBE= -3.261471E+01 WEIGHT= 1.138730D+00 (bending) -ESC= 5.789477E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 1.479510E+01 WEIGHT= 2.223965D+00 (torsional) -ETORSD= 1.006444E+00 WEIGHT= 1.930120D+00 (double torsional) -EHPB= 2.258117E-31 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -6.528803E+01 WEIGHT= 5.672548D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= -4.012900E+00 WEIGHT= 1.970561D-01 (electrostatic-local) -ETURN3= 1.829789E+01 WEIGHT= 2.073316D+00 (turns, 3rd order) -ETURN4= 6.580750E-01 WEIGHT= 8.760064D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) +EVDW= -1.644012E+01 WEIGHT= 1.352790E+00 (SC-SC) +EVDW2= 4.471415E+01 WEIGHT= 1.593040E+00 (SC-p) +EES= -9.165378E+01 WEIGHT= 8.010569E-01 (p-p) +EVDWPP= -3.362882E+01 WEIGHT= 1.137100E-01 (p-p VDW) +ESTR= 6.750243E+02 WEIGHT= 1.000000E+00 (stretching) +EBE= -3.261471E+01 WEIGHT= 1.138730E+00 (bending) +ESC= 5.789477E+01 WEIGHT= 1.625800E-01 (SC local) +ETORS= 1.479510E+01 WEIGHT= 2.223965E+00 (torsional) +ETORSD= 1.006444E+00 WEIGHT= 1.930120E+00 (double torsional) +EHPB= 2.258117E-31 WEIGHT= 1.000000E+00 (SS bridges & dist. cnstr.) +ECORR4= -6.528803E+01 WEIGHT= 5.672548E-01 (multi-body) +ECORR5= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +ECORR6= 0.000000E+00 WEIGHT= 0.000000E+00 (multi-body) +EELLO= -4.012900E+00 WEIGHT= 1.970561E-01 (electrostatic-local) +ETURN3= 1.829789E+01 WEIGHT= 2.073316E+00 (turns, 3rd order) +ETURN4= 6.580750E-01 WEIGHT= 8.760064E-01 (turns, 4th order) +ETURN6= 0.000000E+00 WEIGHT= 0.000000E+00 (turns, 6th order) +ESCCOR= 0.000000E+00 WEIGHT= 0.000000E+00 (backbone-rotamer corr) EDIHC= 0.000000E+00 (dihedral angle constraints) ESS= 0.000000E+00 (disulfide-bridge intrinsic energy) UCONST= 0.000000E+00 (Constraint energy) -ETOT= 6.568593E+02 (total) +ETOT= 6.545795E+02 (total) Initial: Kinetic energy 2.56370E+01 - potential energy 6.56859E+02 - total energy 6.82496E+02 + potential energy 6.54580E+02 + total energy 6.80217E+02 - maximum acceleration 8.66515E+00 + maximum acceleration 8.71538E+00 - Setup time 1.562500000000000E-002 - acceleration/energy drift too large 2.45063868111105 - 30.2648668372355 split increased to 2 itime 1 + Setup time 5.859375000000000E-002 + acceleration/energy drift too large 2.44708857815770 + 30.1912304228746 split increased to 2 itime 1 itsplit 1 - acceleration/energy drift too large 3.55123086946814 - 23.1893572991053 split increased to 2 itime 2 + acceleration/energy drift too large 3.55829513714096 + 23.2461394362942 split increased to 2 itime 2 itsplit 1 - acceleration/energy drift too large 2.68873026783936 - 16.4661189396637 split increased to 2 itime 4 + acceleration/energy drift too large 2.65774258568913 + 16.5009129904792 split increased to 2 itime 4 itsplit 1 - acceleration/energy drift too large 4.36238477567221 - 20.2653490183299 split increased to 2 itime 5 + acceleration/energy drift too large 4.34510624939898 + 18.6705564669701 split increased to 2 itime 5 itsplit 1 - acceleration/energy drift too large 4.44786409431292 - 12.4814953131462 split increased to 2 itime 6 + acceleration/energy drift too large 4.50249689000021 + 13.0740450075992 split increased to 2 itime 6 itsplit 1 - acceleration/energy drift too large 1.45929231910999 - 11.9792186726349 split increased to 2 itime 7 + acceleration/energy drift too large 1.44293950492568 + 11.4705208120200 split increased to 2 itime 7 itsplit 1 - acceleration/energy drift too large 4.78653363667580 - 35.1543337895096 split increased to 2 itime 35 + acceleration/energy drift too large 4.48594953096872 + 14.2161825465422 split increased to 2 itime 36 itsplit 1 - acceleration/energy drift too large 3.50012196420486 - 12.4741865317294 split increased to 2 itime 124 + acceleration/energy drift too large 6.33798283742537 + 20.3212891061017 split increased to 2 itime 116 itsplit 1 - acceleration/energy drift too large 9.06108385774411 - 25.6307973455144 split increased to 2 itime 2598 + acceleration/energy drift too large 6.18957440707244 + 12.1228122444720 split increased to 2 itime 235 itsplit 1 - acceleration/energy drift too large 6.60515630890159 - 14.9369548564452 split increased to 2 itime 4487 + acceleration/energy drift too large 4.21742653239939 + 17.1236256413294 split increased to 2 itime 400 itsplit 1 - acceleration/energy drift too large 5.38055900978436 - 10.4195089905054 split increased to 2 itime 5834 + acceleration/energy drift too large 3.14588272364161 + 11.3107676970844 split increased to 2 itime 552 itsplit 1 - acceleration/energy drift too large 9.43465470992012 - 33.6963124964030 split increased to 2 itime 5884 + acceleration/energy drift too large 9.63558103637924 + 41.9443446559597 split increased to 2 itime 5738 itsplit 1 - acceleration/energy drift too large 2.07073606807758 - 11.7590736205423 split increased to 2 itime 5885 + acceleration/energy drift too large 10.5504022707688 + 50.2322532198275 split increased to 2 itime 6660 itsplit 1 - acceleration/energy drift too large 5.28720460296316 - 12.2922645582407 split increased to 2 itime 5982 - itsplit 1 - acceleration/energy drift too large 8.48328247712591 - 25.3495458139208 split increased to 2 itime 7356 - itsplit 1 - acceleration/energy drift too large 1.95483193831186 - 14.0322567882780 split increased to 2 itime 8168 - itsplit 1 - acceleration/energy drift too large 8.63157648015814 - 33.0046843882556 split increased to 2 itime 8458 - itsplit 1 - acceleration/energy drift too large 2.90119145151716 - 16.7487001590735 split increased to 2 itime 9138 + acceleration/energy drift too large 3.82382082526906 + 27.0884237402908 split increased to 2 itime 9602 itsplit 1 Velocities reset to random values, time 1999.80 - acceleration/energy drift too large 6.58197301052028 - 21.1744779154869 split increased to 2 itime 12352 + acceleration/energy drift too large 4.54847151708510 + 10.9140334863633 split increased to 2 itime 11249 + itsplit 1 + acceleration/energy drift too large 6.72494663058398 + 22.3206620775385 split increased to 2 itime 12355 itsplit 1 - acceleration/energy drift too large 4.29237499274694 - 12.0987383192629 split increased to 2 itime 12654 + acceleration/energy drift too large 2.25954932873589 + 12.0215185462541 split increased to 2 itime 12525 itsplit 1 - acceleration/energy drift too large 4.54118346403319 - 10.0596872771203 split increased to 2 itime 14754 + acceleration/energy drift too large 6.49086497219003 + 16.5347353186463 split increased to 2 itime 14556 itsplit 1 - acceleration/energy drift too large 2.76981396010583 - 19.1030491890046 split increased to 2 itime 16759 + acceleration/energy drift too large 4.32948809534502 + 12.9678891905952 split increased to 2 itime 14832 itsplit 1 - acceleration/energy drift too large 9.26054798480306 - 35.8965348642423 split increased to 2 itime 17217 + acceleration/energy drift too large 5.24740141641849 + 18.9125059987541 split increased to 2 itime 18384 itsplit 1 - acceleration/energy drift too large 6.78140644853100 - 20.5180580916291 split increased to 2 itime 19191 + acceleration/energy drift too large 6.74212973601644 + 19.8753007701588 split increased to 2 itime 18571 itsplit 1 Velocities reset to random values, time 3999.80 - acceleration/energy drift too large 6.51928331143534 - 13.1196487697521 split increased to 2 itime 20127 + acceleration/energy drift too large 5.76949388513131 + 19.7415183961801 split increased to 2 itime 23760 itsplit 1 - acceleration/energy drift too large 4.14666449802368 - 11.4147726951848 split increased to 2 itime 23140 + acceleration/energy drift too large 5.10355257526089 + 15.6163165016633 split increased to 2 itime 24527 itsplit 1 - acceleration/energy drift too large 6.34224382667582 - 15.8066625395075 split increased to 2 itime 25255 + acceleration/energy drift too large 5.95375242025213 + 13.5562064772233 split increased to 2 itime 25885 itsplit 1 - acceleration/energy drift too large 5.55686756155190 - 11.0570660474378 split increased to 2 itime 28027 + acceleration/energy drift too large 4.60563330535653 + 12.9869190335648 split increased to 2 itime 29104 itsplit 1 Velocities reset to random values, time 5999.80 - acceleration/energy drift too large 4.55831049917581 - 13.7891175233971 split increased to 2 itime 30473 + acceleration/energy drift too large 4.31501916182351 + 12.0925997776692 split increased to 2 itime 30807 itsplit 1 - acceleration/energy drift too large 3.26682406678188 - 25.8880588807659 split increased to 2 itime 31420 + acceleration/energy drift too large 4.44841474022670 + 13.7406595338636 split increased to 2 itime 32293 itsplit 1 - acceleration/energy drift too large 5.10782334488223 - 18.1980839007848 split increased to 2 itime 34647 + acceleration/energy drift too large 6.22161243683618 + 26.4917762073149 split increased to 2 itime 34421 itsplit 1 - acceleration/energy drift too large 9.45122150525096 - 43.2908359649247 split increased to 2 itime 34698 + acceleration/energy drift too large 4.74802965128211 + 15.6784351726067 split increased to 2 itime 35442 itsplit 1 - acceleration/energy drift too large 3.18166793613259 - 10.4178018095776 split increased to 2 itime 36028 + acceleration/energy drift too large 2.50055411809802 + 11.7019340359577 split increased to 2 itime 35702 itsplit 1 -Velocities reset to random values, time 7999.80 - acceleration/energy drift too large 2.85884065291560 - 10.8818130470378 split increased to 2 itime 45605 + acceleration/energy drift too large 2.53031859291655 + 12.3404663815627 split increased to 2 itime 37816 itsplit 1 - acceleration/energy drift too large 1.86835468064674 - 10.8073106206949 split increased to 2 itime 45937 + acceleration/energy drift too large 9.82085647451978 + 39.9247723905663 split increased to 2 itime 38088 itsplit 1 - acceleration/energy drift too large 3.98610152003410 - 12.9623685573306 split increased to 2 itime 46042 + acceleration/energy drift too large 6.67888745942562 + 19.8448911970909 split increased to 2 itime 38632 itsplit 1 - acceleration/energy drift too large 1.98201378363214 - 10.2041786376280 split increased to 2 itime 46077 +Velocities reset to random values, time 7999.80 + acceleration/energy drift too large 2.76026156444874 + 16.2099146456544 split increased to 2 itime 41882 itsplit 1 - acceleration/energy drift too large 12.0305769701626 - 51.0795556873231 split increased to 2 itime 46301 + acceleration/energy drift too large 6.94273875483682 + 25.5011378904418 split increased to 2 itime 42398 itsplit 1 - acceleration/energy drift too large 4.52443741463104 - 11.0156407799634 split increased to 2 itime 48016 + acceleration/energy drift too large 7.83564823117075 + 26.6692948939859 split increased to 2 itime 45733 itsplit 1 -Velocities reset to random values, time 9999.80 - acceleration/energy drift too large 8.46591652181341 - 41.2980950567876 split increased to 2 itime 50383 + acceleration/energy drift too large 0.782434930224240 + 18.7344740460716 split increased to 2 itime 45734 itsplit 1 - acceleration/energy drift too large 5.16603909443402 - 18.1107035658906 split increased to 2 itime 53458 + acceleration/energy drift too large 8.56088387720293 + 20.2607690557672 split increased to 2 itime 46225 itsplit 1 - acceleration/energy drift too large 4.16513916994781 - 10.9950579237936 split increased to 2 itime 54993 + acceleration/energy drift too large 5.80269659338868 + 23.2437094879834 split increased to 2 itime 49131 itsplit 1 - acceleration/energy drift too large 1.17191836603789 - 11.3841292078986 split increased to 2 itime 54994 +Velocities reset to random values, time 9999.80 + acceleration/energy drift too large 8.77686307018883 + 37.4402312204916 split increased to 2 itime 53866 itsplit 1 - acceleration/energy drift too large 6.53208644347302 - 10.0831139576686 split increased to 2 itime 57275 + acceleration/energy drift too large 2.81519151429299 + 15.2803378751927 split increased to 2 itime 55774 itsplit 1 - acceleration/energy drift too large 6.38908095141739 - 14.5965965531466 split increased to 2 itime 57276 + acceleration/energy drift too large 8.46452367604851 + 25.8365274449585 split increased to 2 itime 56397 itsplit 1 - acceleration/energy drift too large 2.02710834549718 - 10.6960901510766 split increased to 2 itime 59385 + acceleration/energy drift too large 1.34491596843367 + 10.2775389787093 split increased to 2 itime 59270 itsplit 1 - acceleration/energy drift too large 4.01051594321700 - 12.7233567378278 split increased to 2 itime 59632 + acceleration/energy drift too large 7.75226500760741 + 38.2131723793801 split increased to 2 itime 59356 itsplit 1 - acceleration/energy drift too large 6.41506995709036 - 14.3079348463333 split increased to 2 itime 59910 + acceleration/energy drift too large 1.48971756059855 + 13.5201920442618 split increased to 2 itime 59605 itsplit 1 Velocities reset to random values, time 11999.80 - acceleration/energy drift too large 3.16467940373217 - 23.7016400391990 split increased to 2 itime 61862 - itsplit 1 - acceleration/energy drift too large 3.72648774559847 - 12.1806580792817 split increased to 2 itime 63094 + acceleration/energy drift too large 8.57363005798018 + 41.2456364199987 split increased to 2 itime 60248 itsplit 1 - acceleration/energy drift too large 4.91806822648186 - 30.9786200495719 split increased to 2 itime 64693 + acceleration/energy drift too large 11.9986965407491 + 65.8497755775950 split increased to 2 itime 61110 itsplit 1 - acceleration/energy drift too large 4.29281446835094 - 12.1444339107584 split increased to 2 itime 66730 + acceleration/energy drift too large 2.60588490269759 + 12.3019935974237 split increased to 4 itime 61110 itsplit 1 - acceleration/energy drift too large 4.61989520889989 - 12.9095583930367 split increased to 2 itime 67488 + acceleration/energy drift too large 5.98059840032270 + 13.0494829491822 split increased to 2 itime 61849 itsplit 1 - acceleration/energy drift too large 5.43649744666214 - 13.9249448835651 split increased to 2 itime 67934 + acceleration/energy drift too large 7.02312220095992 + 22.4426638230210 split increased to 2 itime 63719 itsplit 1 - acceleration/energy drift too large 4.27727867757810 - 12.9808256592005 split increased to 2 itime 68568 + acceleration/energy drift too large 11.1061861414366 + 53.4961183519864 split increased to 2 itime 67834 itsplit 1 - acceleration/energy drift too large 5.11438833240189 - 19.8322614855305 split increased to 2 itime 68609 - itsplit 1 - acceleration/energy drift too large 4.17490161604549 - 13.8606837764868 split increased to 2 itime 69264 - itsplit 1 - acceleration/energy drift too large 3.83724460451895 - 15.4115668727246 split increased to 2 itime 69940 + acceleration/energy drift too large 5.16826604634637 + 14.4482833749314 split increased to 2 itime 68614 itsplit 1 Velocities reset to random values, time 13999.80 - acceleration/energy drift too large 4.01685434054205 - 10.8069464783478 split increased to 2 itime 71105 - itsplit 1 - acceleration/energy drift too large 13.0626679391747 - 87.9388227824471 split increased to 2 itime 71910 - itsplit 1 - acceleration/energy drift too large 7.20000328983353 - 18.1178033475454 split increased to 2 itime 71988 - itsplit 1 - acceleration/energy drift too large 6.04958400342580 - 14.9219321071401 split increased to 2 itime 72341 + acceleration/energy drift too large 4.99923567700219 + 22.5200157068799 split increased to 2 itime 71472 itsplit 1 - acceleration/energy drift too large 4.45889454571717 - 15.5432456970247 split increased to 2 itime 74578 + acceleration/energy drift too large 7.94492371107991 + 20.0643680847791 split increased to 2 itime 71591 itsplit 1 - acceleration/energy drift too large 5.94353008726795 - 19.5767458089862 split increased to 2 itime 75898 - itsplit 1 - acceleration/energy drift too large 1.41468466336670 - 11.8115584305727 split increased to 2 itime 75899 - itsplit 1 - acceleration/energy drift too large 5.43126051257083 - 11.4467820493096 split increased to 2 itime 76681 - itsplit 1 - acceleration/energy drift too large 1.30412019682234 - 10.3877710905946 split increased to 2 itime 77800 + acceleration/energy drift too large 9.82200886690138 + 49.1768178857061 split increased to 2 itime 73467 itsplit 1 Velocities reset to random values, time 15999.80 - acceleration/energy drift too large 5.92067317044391 - 12.1554434047725 split increased to 2 itime 83484 - itsplit 1 - acceleration/energy drift too large 5.21686771258510 - 15.1491984626158 split increased to 2 itime 85810 + acceleration/energy drift too large 7.79123393914190 + 28.7455179074731 split increased to 2 itime 80563 itsplit 1 - acceleration/energy drift too large 7.31880749879907 - 18.6681818294367 split increased to 2 itime 86296 + acceleration/energy drift too large 5.82844167270155 + 14.3639158488063 split increased to 2 itime 82012 itsplit 1 - acceleration/energy drift too large 4.18607940482989 - 36.7218017523689 split increased to 2 itime 86458 + acceleration/energy drift too large 8.83171278828639 + 41.1693620449344 split increased to 2 itime 83287 itsplit 1 - acceleration/energy drift too large 8.90713651382507 - 18.3163329571860 split increased to 2 itime 87179 + acceleration/energy drift too large 2.37555843200184 + 11.8847061630356 split increased to 2 itime 83288 itsplit 1 - acceleration/energy drift too large 2.14154289965140 - 10.3495300742453 split increased to 2 itime 87883 - itsplit 1 - acceleration/energy drift too large 2.22235027611116 - 10.0797282196810 split increased to 2 itime 87967 - itsplit 1 - acceleration/energy drift too large 4.06618995085872 - 10.2556647232415 split increased to 2 itime 87993 - itsplit 1 - acceleration/energy drift too large 5.46533217080122 - 18.9519545819862 split increased to 2 itime 88083 - itsplit 1 - acceleration/energy drift too large 4.35661767079769 - 13.6485379177394 split increased to 2 itime 88147 - itsplit 1 - acceleration/energy drift too large 3.05413513905650 - 14.7150513609441 split increased to 2 itime 88148 - itsplit 1 - acceleration/energy drift too large 5.29165936196420 - 15.6845738230786 split increased to 2 itime 88162 + acceleration/energy drift too large 4.43440510987553 + 13.7685954131646 split increased to 2 itime 88198 itsplit 1 Velocities reset to random values, time 17999.80 - acceleration/energy drift too large 12.0869002578448 - 60.9580124863403 split increased to 2 itime 91064 - itsplit 1 - acceleration/energy drift too large 4.88217813914722 - 19.0387637529673 split increased to 2 itime 94245 - itsplit 1 - acceleration/energy drift too large 7.45369542446815 - 21.9222798621868 split increased to 2 itime 95027 - itsplit 1 - acceleration/energy drift too large 1.95297502238896 - 11.0934339190289 split increased to 2 itime 95028 + acceleration/energy drift too large 4.01414736808228 + 11.3795504606819 split increased to 2 itime 91021 itsplit 1 - acceleration/energy drift too large 5.98703166235174 - 20.2657581349062 split increased to 2 itime 96444 + acceleration/energy drift too large 9.61081890915478 + 47.2769703317649 split increased to 2 itime 92691 itsplit 1 - acceleration/energy drift too large 8.48444340493494 - 35.6188308867794 split increased to 2 itime 97012 + acceleration/energy drift too large 4.04035058721866 + 10.7202224654412 split increased to 2 itime 97876 itsplit 1 Velocities reset to random values, time 19999.80 REMD synchro at 100000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 41.3242187500000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 35.8203125000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.00000 1 -ACC 2 260.00000 0.00000 1 -ACC 3 270.00000 1.00000 1 +ACC 2 260.00000 1.00000 1 +ACC 3 270.00000 0.00000 1 ACC 4 280.00000 1.00000 1 ACC 5 290.00000 0.00000 1 ACC 6 300.00000 0.00000 1 ACC 7 310.00000 1.00000 1 -ACC 8 320.00000 1.00000 1 -ACC 9 330.00000 0.00000 1 -ACC 10 340.00000 0.00000 1 -ACC 11 350.00000 1.00000 1 -ACC 12 360.00000 1.00000 1 -ACC 13 370.00000 0.00000 1 -ACC 14 380.00000 1.00000 1 -ACC 15 390.00000 1.00000 1 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 5.93513861650592 - 28.6617519856178 split increased to 2 itime 100016 - itsplit 1 - acceleration/energy drift too large 2.94593026509243 - 12.3655833324725 split increased to 2 itime 101359 - itsplit 1 - acceleration/energy drift too large 6.85096607318400 - 16.1916115655967 split increased to 2 itime 101607 - itsplit 1 - acceleration/energy drift too large 4.00665737220926 - 10.4724172143073 split increased to 2 itime 102032 - itsplit 1 - acceleration/energy drift too large 14.5894834372748 - 86.3816252343415 split increased to 2 itime 103865 - itsplit 1 - acceleration/energy drift too large 10.2762851503161 - 41.9569320621232 split increased to 2 itime 104075 - itsplit 1 - acceleration/energy drift too large 4.80084841317229 - 23.1564792277737 split increased to 2 itime 104835 - itsplit 1 - acceleration/energy drift too large 4.41273995891279 - 11.7499164487429 split increased to 2 itime 109082 + acceleration/energy drift too large 4.89252535407067 + 16.1651653527217 split increased to 2 itime 101715 itsplit 1 - acceleration/energy drift too large 6.27497541749042 - 29.5466499150606 split increased to 2 itime 109370 + acceleration/energy drift too large 7.71511334844823 + 14.5538747056148 split increased to 2 itime 102404 itsplit 1 - acceleration/energy drift too large 10.9288674887910 - 59.2983868505591 split increased to 2 itime 109974 + acceleration/energy drift too large 5.37367019338214 + 14.3609639633479 split increased to 2 itime 105360 itsplit 1 - acceleration/energy drift too large 2.16038961536281 - 10.7169239739392 split increased to 4 itime 109974 - itsplit 2 Velocities reset to random values, time 21999.80 - acceleration/energy drift too large 7.81955046533018 - 26.8815326563844 split increased to 2 itime 112048 - itsplit 1 - acceleration/energy drift too large 3.73239621850074 - 11.3653365630248 split increased to 2 itime 112232 - itsplit 1 - acceleration/energy drift too large 9.82379670533331 - 37.5035161702640 split increased to 2 itime 112476 - itsplit 1 - acceleration/energy drift too large 2.53846855487312 - 19.5369737269602 split increased to 2 itime 113731 - itsplit 1 - acceleration/energy drift too large 6.00017138967663 - 21.2149693982569 split increased to 2 itime 114147 + acceleration/energy drift too large 5.70996601589260 + 16.0961868543362 split increased to 2 itime 110838 itsplit 1 - acceleration/energy drift too large 2.83424196424195 - 14.9154243170554 split increased to 2 itime 114509 + acceleration/energy drift too large 6.60417952464575 + 24.0284026625876 split increased to 2 itime 111846 itsplit 1 - acceleration/energy drift too large 5.39887429826091 - 11.1762309159555 split increased to 2 itime 115668 + acceleration/energy drift too large 4.69014229442755 + 18.3589866204330 split increased to 2 itime 113384 itsplit 1 - acceleration/energy drift too large 8.59665291109067 - 25.9403058332849 split increased to 2 itime 116009 + acceleration/energy drift too large 7.71786768768469 + 24.2646950558041 split increased to 2 itime 113458 itsplit 1 - acceleration/energy drift too large 6.17572227741080 - 25.4229300857791 split increased to 2 itime 116339 + acceleration/energy drift too large 5.40900875753518 + 11.1070194981679 split increased to 2 itime 118569 itsplit 1 - acceleration/energy drift too large 6.38082623100020 - 24.0244138542674 split increased to 2 itime 116673 - itsplit 1 - acceleration/energy drift too large 6.35706181151403 - 15.3336143372090 split increased to 2 itime 119988 - itsplit 1 - acceleration/energy drift too large 1.54739777903459 - 10.7944751574952 split increased to 2 itime 119989 + acceleration/energy drift too large 5.62680815506241 + 12.1162345082475 split increased to 2 itime 119633 itsplit 1 Velocities reset to random values, time 23999.80 - acceleration/energy drift too large 11.0010705884253 - 46.5779190582905 split increased to 2 itime 120512 + acceleration/energy drift too large 3.26009596489821 + 16.0629568742864 split increased to 2 itime 125211 itsplit 1 - acceleration/energy drift too large 2.34923675270493 - 10.9180234866370 split increased to 4 itime 120512 + acceleration/energy drift too large 6.80060350055030 + 16.6785546562647 split increased to 2 itime 127479 itsplit 1 - acceleration/energy drift too large 7.04039121924300 - 17.4258150115111 split increased to 2 itime 122316 + acceleration/energy drift too large 4.91600791108303 + 14.8566238299350 split increased to 2 itime 127638 itsplit 1 - acceleration/energy drift too large 5.84358182125819 - 12.7813766302032 split increased to 2 itime 125349 + acceleration/energy drift too large 6.91451069124532 + 21.8972932842505 split increased to 2 itime 128164 itsplit 1 - acceleration/energy drift too large 5.19424816312189 - 20.4866154686175 split increased to 2 itime 126456 + acceleration/energy drift too large 4.92507006777148 + 15.2436442865811 split increased to 2 itime 129227 itsplit 1 - acceleration/energy drift too large 4.35287088828554 - 14.2069493374309 split increased to 2 itime 128321 + acceleration/energy drift too large 6.96484866334159 + 18.9791603143607 split increased to 2 itime 129820 itsplit 1 Velocities reset to random values, time 25999.80 - acceleration/energy drift too large 5.25633533942894 - 15.0106742155530 split increased to 2 itime 130434 - itsplit 1 - acceleration/energy drift too large 6.42028889526217 - 14.4641310781880 split increased to 2 itime 130633 - itsplit 1 - acceleration/energy drift too large 6.65178379409921 - 13.7281121403279 split increased to 2 itime 131765 + acceleration/energy drift too large 7.45056527751399 + 15.8993402779271 split increased to 2 itime 131915 itsplit 1 - acceleration/energy drift too large 4.08022818983795 - 19.2277258434627 split increased to 2 itime 132882 + acceleration/energy drift too large 9.27425899925672 + 37.5216457604321 split increased to 2 itime 132219 itsplit 1 - acceleration/energy drift too large 11.3484812103328 - 38.4698220595935 split increased to 2 itime 134236 + acceleration/energy drift too large 9.39184476074993 + 40.5798472981761 split increased to 2 itime 132270 itsplit 1 - acceleration/energy drift too large 5.61667785063145 - 36.3992357739707 split increased to 2 itime 134747 - itsplit 1 - acceleration/energy drift too large 4.22149402461153 - 10.8482933436149 split increased to 2 itime 137351 - itsplit 1 - acceleration/energy drift too large 6.53074198772612 - 12.8466323253727 split increased to 2 itime 139757 + acceleration/energy drift too large 8.44507074786582 + 34.2621568441437 split increased to 2 itime 137662 itsplit 1 Velocities reset to random values, time 27999.80 - acceleration/energy drift too large 4.74274763022155 - 15.2298569992084 split increased to 2 itime 140869 + acceleration/energy drift too large 8.36245564711165 + 35.5844371880894 split increased to 2 itime 141293 + itsplit 1 + acceleration/energy drift too large 6.59096086687037 + 19.1436493642670 split increased to 2 itime 141714 itsplit 1 - acceleration/energy drift too large 5.95782169053832 - 28.9657311437838 split increased to 2 itime 142748 + acceleration/energy drift too large 9.09021364242806 + 46.5960331038827 split increased to 2 itime 145799 itsplit 1 - acceleration/energy drift too large 5.33942237581445 - 16.0537144434226 split increased to 2 itime 145120 + acceleration/energy drift too large 9.36874222012710 + 25.0967123642648 split increased to 2 itime 146601 itsplit 1 - acceleration/energy drift too large 4.54326669871440 - 11.3018941500642 split increased to 2 itime 145121 + acceleration/energy drift too large 6.01173806931324 + 10.9884950783542 split increased to 2 itime 147939 itsplit 1 - acceleration/energy drift too large 3.34616009287506 - 11.7541504457757 split increased to 2 itime 145281 + acceleration/energy drift too large 2.41971520206310 + 11.3443466462981 split increased to 2 itime 149223 itsplit 1 Velocities reset to random values, time 29999.80 - acceleration/energy drift too large 6.43038530834879 - 12.5442460561467 split increased to 2 itime 151009 + acceleration/energy drift too large 6.75957500116144 + 33.4297167955104 split increased to 2 itime 154164 itsplit 1 - acceleration/energy drift too large 6.19973014860350 - 19.4112251401803 split increased to 2 itime 151972 + acceleration/energy drift too large 7.82359617138981 + 29.3664570733381 split increased to 2 itime 156294 itsplit 1 - acceleration/energy drift too large 6.33583528104485 - 15.3237929055735 split increased to 2 itime 152256 + acceleration/energy drift too large 7.84961185108202 + 30.5374479903733 split increased to 2 itime 158740 itsplit 1 - acceleration/energy drift too large 3.63929133923816 - 25.5958109542901 split increased to 2 itime 155054 + acceleration/energy drift too large 1.18032490283914 + 11.8937753473152 split increased to 2 itime 158741 itsplit 1 - acceleration/energy drift too large 8.87287164191711 - 26.6476373100856 split increased to 2 itime 159090 + acceleration/energy drift too large 8.17564834243562 + 20.6479243754346 split increased to 2 itime 158754 itsplit 1 Velocities reset to random values, time 31999.80 - acceleration/energy drift too large 6.43756754349056 - 12.4639955923611 split increased to 2 itime 160143 - itsplit 1 - acceleration/energy drift too large 8.54074061935143 - 38.8896467105338 split increased to 2 itime 161616 - itsplit 1 - acceleration/energy drift too large 4.15346706307488 - 12.9384953808585 split increased to 2 itime 162979 + acceleration/energy drift too large 9.35215546729979 + 40.8357339570788 split increased to 2 itime 160184 itsplit 1 - acceleration/energy drift too large 3.22507840657782 - 21.8696680239266 split increased to 2 itime 163693 + acceleration/energy drift too large 4.56922707050231 + 10.7608413316445 split increased to 2 itime 162213 itsplit 1 - acceleration/energy drift too large 11.3373818760639 - 61.3711293688740 split increased to 2 itime 164162 + acceleration/energy drift too large 3.56151586327467 + 10.3891869741882 split increased to 2 itime 164080 itsplit 1 - acceleration/energy drift too large 5.76667701443613 - 10.6053686606900 split increased to 2 itime 164748 + acceleration/energy drift too large 5.15368972935594 + 12.4281359253460 split increased to 2 itime 164588 itsplit 1 - acceleration/energy drift too large 9.15119565839555 - 38.3162835942076 split increased to 2 itime 166097 - itsplit 1 - acceleration/energy drift too large 6.92476812983487 - 21.6947704388162 split increased to 2 itime 166911 + acceleration/energy drift too large 9.21359592076685 + 33.2667358403823 split increased to 2 itime 165810 itsplit 1 Velocities reset to random values, time 33999.80 - acceleration/energy drift too large 4.00016352213372 - 11.0005566533539 split increased to 2 itime 170564 - itsplit 1 - acceleration/energy drift too large 13.6903024510036 - 71.2350598652297 split increased to 2 itime 170738 - itsplit 1 - acceleration/energy drift too large 1.98781785735850 - 14.6366954123303 split increased to 2 itime 170739 - itsplit 1 - acceleration/energy drift too large 4.71114892543482 - 13.3897481617229 split increased to 2 itime 173020 + acceleration/energy drift too large 4.08672681103092 + 11.5638686758799 split increased to 2 itime 171120 itsplit 1 - acceleration/energy drift too large 8.05126115324831 - 31.8173798908278 split increased to 2 itime 173065 + acceleration/energy drift too large 3.93396405840229 + 11.6084177058105 split increased to 2 itime 178084 itsplit 1 - acceleration/energy drift too large 2.48211251624321 - 23.8172756503275 split increased to 2 itime 173444 - itsplit 1 - acceleration/energy drift too large 6.56774922332209 - 12.8859889422153 split increased to 2 itime 174785 - itsplit 1 - acceleration/energy drift too large 4.70625978689595 - 10.3565054674371 split increased to 2 itime 175454 - itsplit 1 - acceleration/energy drift too large 7.68385958718392 - 24.6476599890223 split increased to 2 itime 176854 - itsplit 1 - acceleration/energy drift too large 4.37024122789862 - 13.1501246755790 split increased to 2 itime 177656 - itsplit 1 - acceleration/energy drift too large 1.00827975603581 - 10.5542970800050 split increased to 2 itime 179369 - itsplit 1 - acceleration/energy drift too large 4.85720462005250 - 10.9252798398133 split increased to 2 itime 179908 + acceleration/energy drift too large 10.6963980055373 + 70.2804200237435 split increased to 2 itime 179705 itsplit 1 Velocities reset to random values, time 35999.80 - acceleration/energy drift too large 7.10671792269137 - 22.9038076402771 split increased to 2 itime 182060 - itsplit 1 - acceleration/energy drift too large 10.5200658661234 - 61.5248511890765 split increased to 2 itime 182770 + acceleration/energy drift too large 4.24945491006133 + 10.4374398390279 split increased to 2 itime 180119 itsplit 1 - acceleration/energy drift too large 2.51649869688141 - 10.2604927296180 split increased to 4 itime 182770 + acceleration/energy drift too large 5.58115471837639 + 17.1786623604355 split increased to 2 itime 181962 itsplit 1 - acceleration/energy drift too large 2.38612819383852 - 13.2162310888593 split increased to 2 itime 183991 + acceleration/energy drift too large 6.24721305713827 + 20.3668632369702 split increased to 2 itime 185351 itsplit 1 - acceleration/energy drift too large 4.08298336909932 - 10.7926649011513 split increased to 2 itime 184556 + acceleration/energy drift too large 4.79922694050550 + 10.1870011980402 split increased to 2 itime 186901 itsplit 1 - acceleration/energy drift too large 2.43503234596461 - 12.9879309784479 split increased to 2 itime 185485 + acceleration/energy drift too large 13.7478300021710 + 91.0998550019934 split increased to 2 itime 188799 itsplit 1 - acceleration/energy drift too large 2.85236851200964 - 12.8960888455026 split increased to 2 itime 185664 + acceleration/energy drift too large 4.00200927534877 + 10.4357505583174 split increased to 2 itime 189129 itsplit 1 - acceleration/energy drift too large 4.11973854650120 - 12.7639093424629 split increased to 2 itime 188385 + acceleration/energy drift too large 4.49904659741736 + 14.4851554326298 split increased to 2 itime 189787 itsplit 1 - acceleration/energy drift too large 4.51550758035281 - 22.3944965672669 split increased to 2 itime 189648 - itsplit 1 - acceleration/energy drift too large 6.60119818828983 - 28.6774426858893 split increased to 2 itime 189876 + acceleration/energy drift too large 2.63352653178519 + 17.5153138741427 split increased to 2 itime 189926 itsplit 1 Velocities reset to random values, time 37999.80 - acceleration/energy drift too large 6.16274881873996 - 24.7551962705497 split increased to 2 itime 190447 - itsplit 1 - acceleration/energy drift too large 2.14411673387550 - 16.7185591162685 split increased to 2 itime 190448 + acceleration/energy drift too large 2.15971555320186 + 12.0927111165488 split increased to 2 itime 191438 itsplit 1 - acceleration/energy drift too large 12.7213070586935 - 78.4196782354728 split increased to 2 itime 191414 + acceleration/energy drift too large 5.11488518385311 + 12.6510033583978 split increased to 2 itime 191552 itsplit 1 - acceleration/energy drift too large 4.79174427316840 - 17.0975258531082 split increased to 2 itime 196621 + acceleration/energy drift too large 6.71785908127635 + 29.4698223327966 split increased to 2 itime 194791 itsplit 1 - acceleration/energy drift too large 2.18147054637810 - 11.7577308544435 split increased to 2 itime 196622 - itsplit 1 - acceleration/energy drift too large 2.74378588988487 - 22.0246636849097 split increased to 2 itime 196839 - itsplit 1 - acceleration/energy drift too large 8.05194057782343 - 18.5257176066138 split increased to 2 itime 197733 + acceleration/energy drift too large 6.48587913575991 + 25.1388882565480 split increased to 2 itime 196417 itsplit 1 Velocities reset to random values, time 39999.80 REMD synchro at 200000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 83.2929687500000 0.000000000000000E+000 + REMD gather times= 71.3125000000000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.50000 2 -ACC 2 260.00000 0.00000 2 -ACC 3 270.00000 1.00000 2 +ACC 1 250.00000 0.00000 2 +ACC 2 260.00000 1.00000 2 +ACC 3 270.00000 0.00000 2 ACC 4 280.00000 0.50000 2 ACC 5 290.00000 0.50000 2 -ACC 6 300.00000 0.50000 2 -ACC 7 310.00000 0.50000 2 -ACC 8 320.00000 1.00000 2 -ACC 9 330.00000 0.50000 2 -ACC 10 340.00000 0.50000 2 -ACC 11 350.00000 1.00000 2 -ACC 12 360.00000 1.00000 2 -ACC 13 370.00000 0.50000 2 -ACC 14 380.00000 1.00000 2 -ACC 15 390.00000 1.00000 2 +ACC 6 300.00000 0.00000 2 +ACC 7 310.00000 1.00000 2 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 4.59408864483122 - 12.0558249348045 split increased to 2 itime 203579 - itsplit 1 - acceleration/energy drift too large 2.73599250700779 - 14.8626669014985 split increased to 2 itime 204282 - itsplit 1 - acceleration/energy drift too large 8.31634426661832 - 29.4255928278135 split increased to 2 itime 205286 - itsplit 1 - acceleration/energy drift too large 1.54625494677873 - 15.1624323911780 split increased to 2 itime 205287 + acceleration/energy drift too large 5.04986959202015 + 17.4423959027605 split increased to 2 itime 200453 itsplit 1 - acceleration/energy drift too large 8.66182718985187 - 33.1905490207592 split increased to 2 itime 205685 + acceleration/energy drift too large 1.77120798243602 + 14.0383236025490 split increased to 2 itime 200868 itsplit 1 - acceleration/energy drift too large 9.13092632729939 - 37.2074484278480 split increased to 2 itime 205833 + acceleration/energy drift too large 7.06139868639983 + 40.4883518399707 split increased to 2 itime 201059 itsplit 1 - acceleration/energy drift too large 0.709681188924940 - 12.9865617346389 split increased to 2 itime 205834 + acceleration/energy drift too large 3.61119911032072 + 10.3704621121687 split increased to 2 itime 204048 itsplit 1 - acceleration/energy drift too large 3.92634174259366 - 10.7024357862876 split increased to 2 itime 207419 + acceleration/energy drift too large 5.83867945112137 + 14.5248846021839 split increased to 2 itime 204843 itsplit 1 - acceleration/energy drift too large 10.9148485597084 - 43.4457948255316 split increased to 2 itime 208334 - itsplit 1 - acceleration/energy drift too large 2.44718186008993 - 11.8035333163884 split increased to 2 itime 209422 - itsplit 1 - acceleration/energy drift too large 5.01763661395249 - 16.7922727245692 split increased to 2 itime 209868 + acceleration/energy drift too large 7.84194152794477 + 35.1685466291038 split increased to 2 itime 209391 itsplit 1 Velocities reset to random values, time 41999.80 - acceleration/energy drift too large 6.61929499240186 - 30.6306170475971 split increased to 2 itime 210383 + acceleration/energy drift too large 6.47067855303554 + 18.6943386246348 split increased to 2 itime 210412 itsplit 1 - acceleration/energy drift too large 4.28360811516255 - 25.9749345627328 split increased to 2 itime 211084 + acceleration/energy drift too large 3.48583219935949 + 12.6107197644507 split increased to 2 itime 211341 itsplit 1 - acceleration/energy drift too large 5.01466805108561 - 17.1365180315037 split increased to 2 itime 212605 + acceleration/energy drift too large 4.72229409882591 + 16.5838798171601 split increased to 2 itime 212797 itsplit 1 - acceleration/energy drift too large 7.80601320907850 - 29.6763213268298 split increased to 2 itime 214578 + acceleration/energy drift too large 4.76762352198106 + 14.0830207487805 split increased to 2 itime 214292 itsplit 1 - acceleration/energy drift too large 2.60999942929025 - 10.0848303222503 split increased to 2 itime 215155 + acceleration/energy drift too large 7.76850500615964 + 26.9398599462844 split increased to 2 itime 214699 itsplit 1 - acceleration/energy drift too large 3.86666704245465 - 11.3807625264393 split increased to 2 itime 217152 + acceleration/energy drift too large 0.689801579848072 + 10.3029318731357 split increased to 2 itime 216506 itsplit 1 - acceleration/energy drift too large 6.39539977336902 - 26.8394914157008 split increased to 2 itime 218225 + acceleration/energy drift too large 5.12052281477349 + 27.3311938058947 split increased to 2 itime 217205 itsplit 1 - acceleration/energy drift too large 1.96001737983379 - 10.0630460940503 split increased to 2 itime 219788 + acceleration/energy drift too large 3.05356589478615 + 18.9360326681612 split increased to 2 itime 217683 itsplit 1 - acceleration/energy drift too large 2.93444586528398 - 10.5828683706290 split increased to 2 itime 219841 + acceleration/energy drift too large 1.73186194377800 + 16.0554162672545 split increased to 2 itime 218057 itsplit 1 -Velocities reset to random values, time 43999.80 - acceleration/energy drift too large 2.40328511949559 - 17.9483934762652 split increased to 2 itime 220716 + acceleration/energy drift too large 2.32285477862741 + 11.1026929280745 split increased to 2 itime 218773 itsplit 1 - acceleration/energy drift too large 6.45258462901250 - 26.0945023333158 split increased to 2 itime 221270 + acceleration/energy drift too large 3.65549288541357 + 16.6458499238341 split increased to 2 itime 219390 itsplit 1 - acceleration/energy drift too large 4.23308996684634 - 11.3576310528166 split increased to 2 itime 223538 + acceleration/energy drift too large 5.18715372201414 + 10.8093805823300 split increased to 2 itime 219922 itsplit 1 - acceleration/energy drift too large 3.81906414352634 - 10.3732287061085 split increased to 2 itime 223737 +Velocities reset to random values, time 43999.80 + acceleration/energy drift too large 2.95447992286656 + 12.7652994902160 split increased to 2 itime 220760 itsplit 1 - acceleration/energy drift too large 4.41439393141235 - 24.1668518266648 split increased to 2 itime 224917 + acceleration/energy drift too large 2.19720813832940 + 10.7163808859348 split increased to 2 itime 222985 itsplit 1 - acceleration/energy drift too large 10.0475752078166 - 23.2109597267737 split increased to 2 itime 224988 + acceleration/energy drift too large 2.35503101882773 + 10.4528995583693 split increased to 2 itime 223502 itsplit 1 - acceleration/energy drift too large 4.71864488720977 - 11.3845369327899 split increased to 2 itime 224997 + acceleration/energy drift too large 5.60633372113346 + 20.2046253665332 split increased to 2 itime 225519 itsplit 1 - acceleration/energy drift too large 9.42857395214169 - 41.2904650673104 split increased to 2 itime 225050 + acceleration/energy drift too large 4.09952203419512 + 12.6995151274614 split increased to 2 itime 225845 itsplit 1 - acceleration/energy drift too large 8.72888190628566 - 17.7411147950760 split increased to 2 itime 225079 + acceleration/energy drift too large 3.58490772926469 + 13.9832460465008 split increased to 2 itime 226427 itsplit 1 - acceleration/energy drift too large 4.72254076388948 - 19.9287877633090 split increased to 2 itime 225554 + acceleration/energy drift too large 4.85636683302399 + 17.2042074214705 split increased to 2 itime 226705 itsplit 1 - acceleration/energy drift too large 5.11461192891853 - 10.0833881500307 split increased to 2 itime 226213 + acceleration/energy drift too large 2.76912420851851 + 10.4879736432583 split increased to 2 itime 226791 itsplit 1 - acceleration/energy drift too large 6.02186855813688 - 14.1461510643558 split increased to 2 itime 228436 + acceleration/energy drift too large 4.99401916369597 + 12.4041423089320 split increased to 2 itime 228130 itsplit 1 - acceleration/energy drift too large 4.22773033160916 - 10.7657976191876 split increased to 2 itime 228437 + acceleration/energy drift too large 5.52815849245301 + 20.5182879241915 split increased to 2 itime 228750 itsplit 1 - acceleration/energy drift too large 4.64580189624746 - 10.2839101455895 split increased to 2 itime 228575 + acceleration/energy drift too large 3.91152817196886 + 16.3911533803617 split increased to 2 itime 229413 itsplit 1 - acceleration/energy drift too large 3.83421492760248 - 10.7794029084714 split increased to 2 itime 228877 + acceleration/energy drift too large 3.35671070855631 + 10.3577882038775 split increased to 2 itime 229637 itsplit 1 Velocities reset to random values, time 45999.80 - acceleration/energy drift too large 3.52957986556487 - 13.2228438469939 split increased to 2 itime 232198 + acceleration/energy drift too large 4.71773336271431 + 12.3412921631413 split increased to 2 itime 231682 itsplit 1 - acceleration/energy drift too large 6.07188116802746 - 17.5134476134337 split increased to 2 itime 232793 + acceleration/energy drift too large 6.46130904597427 + 17.2600598523557 split increased to 2 itime 232079 itsplit 1 - acceleration/energy drift too large 10.8480853805683 - 49.0908290277122 split increased to 2 itime 235530 + acceleration/energy drift too large 4.81864082697411 + 15.7078644678088 split increased to 2 itime 232740 itsplit 1 -Velocities reset to random values, time 47999.80 - acceleration/energy drift too large 13.2618711901055 - 91.2655369239421 split increased to 2 itime 241114 + acceleration/energy drift too large 6.07060701758781 + 22.2710475485534 split increased to 2 itime 232898 itsplit 1 - acceleration/energy drift too large 4.12182398472707 - 11.1157352057395 split increased to 2 itime 243457 + acceleration/energy drift too large 1.55401098553480 + 12.2942970770967 split increased to 2 itime 232899 itsplit 1 - acceleration/energy drift too large 5.73062772146030 - 16.4048233684658 split increased to 2 itime 244659 + acceleration/energy drift too large 8.56225911851462 + 36.7691264090566 split increased to 2 itime 233988 itsplit 1 - acceleration/energy drift too large 9.74884741322674 - 50.8996772598169 split increased to 2 itime 245328 + acceleration/energy drift too large 6.03366503799934 + 18.4107234516097 split increased to 2 itime 234528 itsplit 1 - acceleration/energy drift too large 2.22064606371448 - 12.4207600938281 split increased to 2 itime 247770 + acceleration/energy drift too large 6.90478983998945 + 35.4679562638542 split increased to 2 itime 235613 itsplit 1 - acceleration/energy drift too large 5.62712609459097 - 14.1082468589472 split increased to 2 itime 248340 + acceleration/energy drift too large 8.79177356426004 + 23.5983617173168 split increased to 2 itime 236760 itsplit 1 - acceleration/energy drift too large 11.3888014403052 - 63.1921565033428 split increased to 2 itime 249171 +Velocities reset to random values, time 47999.80 + acceleration/energy drift too large 3.13349280420372 + 21.0777539445496 split increased to 2 itime 241844 itsplit 1 - acceleration/energy drift too large 9.55296981923448 - 47.0886399813410 split increased to 2 itime 249899 + acceleration/energy drift too large 5.70343528148501 + 19.6373014647953 split increased to 2 itime 245606 itsplit 1 -Velocities reset to random values, time 49999.80 - acceleration/energy drift too large 3.60019377253538 - 12.0982817526574 split increased to 2 itime 251165 + acceleration/energy drift too large 5.93027026250220 + 20.6984200040141 split increased to 2 itime 247425 itsplit 1 - acceleration/energy drift too large 7.85852692877818 - 11.0225081594300 split increased to 2 itime 251879 + acceleration/energy drift too large 2.04708450608541 + 10.9545873231158 split increased to 2 itime 247879 itsplit 1 - acceleration/energy drift too large 6.51078874740090 - 15.0566397848030 split increased to 2 itime 251913 + acceleration/energy drift too large 5.16134116962011 + 26.6408486701170 split increased to 2 itime 248850 itsplit 1 - acceleration/energy drift too large 2.99105013230266 - 10.0380446871612 split increased to 2 itime 252018 + acceleration/energy drift too large 4.94552760239726 + 20.4337809765788 split increased to 2 itime 248973 itsplit 1 - acceleration/energy drift too large 14.5686698663935 - 84.5112170410911 split increased to 2 itime 254905 - itsplit 1 - acceleration/energy drift too large 3.79612407938973 - 22.3130820797425 split increased to 4 itime 254905 - itsplit 2 - acceleration/energy drift too large 3.65341353705152 - 10.4669418688403 split increased to 2 itime 255098 + acceleration/energy drift too large 9.57504176430275 + 41.6627065022533 split increased to 2 itime 248983 itsplit 1 - acceleration/energy drift too large 6.03706093738253 - 41.2153436311167 split increased to 2 itime 256695 + acceleration/energy drift too large 8.65403580638828 + 37.7243114734647 split increased to 2 itime 249089 itsplit 1 - acceleration/energy drift too large 3.66186584358054 - 12.8922563820257 split increased to 2 itime 256699 +Velocities reset to random values, time 49999.80 + acceleration/energy drift too large 8.50828510865141 + 22.5380235932200 split increased to 2 itime 252210 itsplit 1 - acceleration/energy drift too large 6.10161337453991 - 37.2340783168568 split increased to 2 itime 256748 + acceleration/energy drift too large 2.15227775469943 + 15.8173695717929 split increased to 2 itime 252264 itsplit 1 - acceleration/energy drift too large 5.89309428021383 - 14.6005416015485 split increased to 2 itime 256812 + acceleration/energy drift too large 4.42232239123855 + 12.4473247388807 split increased to 2 itime 253237 itsplit 1 - acceleration/energy drift too large 0.908541415452403 - 10.0858359465829 split increased to 2 itime 256813 + acceleration/energy drift too large 0.275439253550858 + 11.8146853352462 split increased to 2 itime 255582 itsplit 1 - acceleration/energy drift too large 7.10032154667374 - 16.6927546409451 split increased to 2 itime 257040 + acceleration/energy drift too large 9.41994076825744 + 40.1045699911803 split increased to 2 itime 257698 itsplit 1 - acceleration/energy drift too large 2.40321301573065 - 13.6082964558467 split increased to 2 itime 257084 + acceleration/energy drift too large 5.97142008948969 + 13.8498713687809 split increased to 2 itime 257812 itsplit 1 Velocities reset to random values, time 51999.80 - acceleration/energy drift too large 2.60968315976693 - 12.6976307936141 split increased to 2 itime 261071 + acceleration/energy drift too large 3.86230856893856 + 11.3684738531104 split increased to 2 itime 260054 itsplit 1 - acceleration/energy drift too large 3.73132968750636 - 12.7070406502369 split increased to 2 itime 262016 + acceleration/energy drift too large 4.59331585948751 + 15.2648443597969 split increased to 2 itime 264822 itsplit 1 - acceleration/energy drift too large 5.13912045107119 - 15.0972899055288 split increased to 2 itime 263749 + acceleration/energy drift too large 7.41117430525506 + 38.7904390095289 split increased to 2 itime 266674 itsplit 1 - acceleration/energy drift too large 7.86486063776132 - 17.6202122391229 split increased to 2 itime 264940 + acceleration/energy drift too large 4.26383770339643 + 22.5065579939597 split increased to 2 itime 266937 itsplit 1 - acceleration/energy drift too large 6.21532916950030 - 17.2608699248967 split increased to 2 itime 266431 + acceleration/energy drift too large 4.55826758571458 + 21.5289783334577 split increased to 2 itime 268296 itsplit 1 - acceleration/energy drift too large 3.73033151712000 - 11.2947928872528 split increased to 2 itime 269847 + acceleration/energy drift too large 7.84321474044143 + 26.9197661528877 split increased to 2 itime 268607 itsplit 1 Velocities reset to random values, time 53999.80 - acceleration/energy drift too large 3.99540200963912 - 11.8667209490179 split increased to 2 itime 270182 - itsplit 1 - acceleration/energy drift too large 9.26636066801333 - 41.8287750555397 split increased to 2 itime 271467 - itsplit 1 - acceleration/energy drift too large 7.12789968032941 - 24.4758982889634 split increased to 2 itime 271616 - itsplit 1 - acceleration/energy drift too large 5.03595023147757 - 20.4736188711624 split increased to 2 itime 272923 - itsplit 1 - acceleration/energy drift too large 4.25125100078329 - 20.1886027671162 split increased to 2 itime 273094 + acceleration/energy drift too large 4.21736897733046 + 12.5835075642591 split increased to 2 itime 270947 itsplit 1 - acceleration/energy drift too large 4.75993481613499 - 11.8001263173960 split increased to 2 itime 274240 + acceleration/energy drift too large 5.45680817312916 + 15.5139334055430 split increased to 2 itime 273994 itsplit 1 - acceleration/energy drift too large 3.71357339631975 - 33.1825902947021 split increased to 2 itime 274301 + acceleration/energy drift too large 2.94584084987492 + 17.5273976533489 split increased to 2 itime 275667 itsplit 1 - acceleration/energy drift too large 5.89622793858152 - 30.1206116496957 split increased to 2 itime 274420 + acceleration/energy drift too large 7.82008741209676 + 23.7680629470853 split increased to 2 itime 276191 itsplit 1 - acceleration/energy drift too large 6.77615095227000 - 13.3108336258807 split increased to 2 itime 275814 + acceleration/energy drift too large 5.91185136005424 + 14.3409776734183 split increased to 2 itime 276602 itsplit 1 - acceleration/energy drift too large 6.23632689023794 - 16.7098632690357 split increased to 2 itime 275856 + acceleration/energy drift too large 9.30373474768225 + 39.2288712189322 split increased to 2 itime 277342 itsplit 1 - acceleration/energy drift too large 3.67804550555980 - 31.4810039435326 split increased to 2 itime 276570 + acceleration/energy drift too large 5.12842366453655 + 17.3401709724544 split increased to 2 itime 278632 itsplit 1 - acceleration/energy drift too large 8.45494725703595 - 23.0536492087727 split increased to 2 itime 277933 - itsplit 1 - acceleration/energy drift too large 5.48911458393291 - 10.5103165860132 split increased to 2 itime 278844 - itsplit 1 - acceleration/energy drift too large 7.40105036254575 - 16.0689853102769 split increased to 2 itime 278847 - itsplit 1 - acceleration/energy drift too large 6.10554939066468 - 40.6718336250730 split increased to 2 itime 279118 + acceleration/energy drift too large 4.88538108886889 + 29.4475700374634 split increased to 2 itime 279153 itsplit 1 Velocities reset to random values, time 55999.80 - acceleration/energy drift too large 3.28537470410276 - 20.6747400121524 split increased to 2 itime 281765 + acceleration/energy drift too large 12.1214321616001 + 63.9136807420454 split increased to 2 itime 280160 itsplit 1 - acceleration/energy drift too large 4.70342065008458 - 15.9989645918771 split increased to 2 itime 283859 + acceleration/energy drift too large 4.11198024867563 + 14.9258096683145 split increased to 2 itime 280388 itsplit 1 - acceleration/energy drift too large 5.84140696777540 - 20.4774264195300 split increased to 2 itime 284762 + acceleration/energy drift too large 6.11379759441672 + 15.5433300464461 split increased to 2 itime 282281 itsplit 1 - acceleration/energy drift too large 2.03082158198540 - 11.2720725752092 split increased to 2 itime 287493 + acceleration/energy drift too large 3.83780927679593 + 13.0738657259651 split increased to 2 itime 282733 itsplit 1 - acceleration/energy drift too large 7.00309966683752 - 16.0617861935087 split increased to 2 itime 287606 + acceleration/energy drift too large 4.40603350636841 + 19.4912528508841 split increased to 2 itime 285061 itsplit 1 -Velocities reset to random values, time 57999.80 - acceleration/energy drift too large 6.22308905806400 - 15.1466023622204 split increased to 2 itime 291339 + acceleration/energy drift too large 5.12667437599219 + 32.1625954459446 split increased to 2 itime 285843 itsplit 1 - acceleration/energy drift too large 9.70117018326357 - 41.4822538094974 split increased to 2 itime 292002 + acceleration/energy drift too large 2.85336066414799 + 13.1085424651594 split increased to 2 itime 285914 itsplit 1 - acceleration/energy drift too large 9.75868237189028 - 63.6387826163161 split increased to 2 itime 292093 +Velocities reset to random values, time 57999.80 + acceleration/energy drift too large 4.56824504736003 + 12.6444284802434 split increased to 2 itime 290424 itsplit 1 - acceleration/energy drift too large 6.14325235360887 - 11.1826495498602 split increased to 2 itime 293284 + acceleration/energy drift too large 3.87878465965689 + 10.1604863831226 split increased to 2 itime 291198 itsplit 1 - acceleration/energy drift too large 3.76747310928708 - 13.4650618907294 split increased to 2 itime 294149 + acceleration/energy drift too large 8.60931865398679 + 13.5943096231981 split increased to 2 itime 291220 itsplit 1 - acceleration/energy drift too large 5.01265935279020 - 11.9943450533954 split increased to 2 itime 294539 + acceleration/energy drift too large 4.65627251943672 + 14.5742852291969 split increased to 2 itime 295521 itsplit 1 - acceleration/energy drift too large 9.16741338746442 - 44.3606984722091 split increased to 2 itime 294839 + acceleration/energy drift too large 8.71060369452743 + 31.9004966595120 split increased to 2 itime 295550 itsplit 1 - acceleration/energy drift too large 4.23353641133757 - 20.9119667288597 split increased to 2 itime 294979 + acceleration/energy drift too large 5.12102610734973 + 17.1668382722410 split increased to 2 itime 297413 itsplit 1 - acceleration/energy drift too large 3.53076040140374 - 11.3639811419579 split increased to 2 itime 294980 + acceleration/energy drift too large 6.70318389972560 + 19.0602414327526 split increased to 2 itime 297986 itsplit 1 - acceleration/energy drift too large 7.36707832486697 - 20.7367661850704 split increased to 2 itime 298157 + acceleration/energy drift too large 4.90237132099975 + 14.1028315828767 split increased to 2 itime 298049 itsplit 1 - acceleration/energy drift too large 6.94842563034066 - 15.5955651015081 split increased to 2 itime 298877 + acceleration/energy drift too large 0.000000000000000E+000 + 10.1417049071437 split increased to 2 itime 298050 itsplit 1 - acceleration/energy drift too large 1.65154538894140 - 10.1972097545943 split increased to 2 itime 298979 + acceleration/energy drift too large 5.65555810808125 + 41.4868079146133 split increased to 2 itime 298417 itsplit 1 - acceleration/energy drift too large 7.15185215344458 - 13.5153996844075 split increased to 2 itime 299251 + acceleration/energy drift too large 5.43229464474315 + 13.8998520544523 split increased to 2 itime 298899 itsplit 1 Velocities reset to random values, time 59999.80 REMD synchro at 300000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 125.699218750000 0.000000000000000E+000 + REMD gather times= 106.820312500000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.66667 3 -ACC 2 260.00000 0.00000 3 -ACC 3 270.00000 1.00000 3 -ACC 4 280.00000 0.33333 3 +ACC 1 250.00000 0.33333 3 +ACC 2 260.00000 1.00000 3 +ACC 3 270.00000 0.00000 3 +ACC 4 280.00000 0.66667 3 ACC 5 290.00000 0.33333 3 -ACC 6 300.00000 0.66667 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 0.33333 3 -ACC 10 340.00000 0.66667 3 -ACC 11 350.00000 1.00000 3 -ACC 12 360.00000 1.00000 3 -ACC 13 370.00000 0.66667 3 -ACC 14 380.00000 1.00000 3 -ACC 15 390.00000 1.00000 3 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 6.14036705770926 - 18.0199551501946 split increased to 2 itime 305267 + acceleration/energy drift too large 7.35367327845477 + 20.9214420151335 split increased to 2 itime 300773 itsplit 1 - acceleration/energy drift too large 4.26377192331095 - 13.4952974061908 split increased to 2 itime 305406 + acceleration/energy drift too large 6.78989382173155 + 19.8029828194885 split increased to 2 itime 300969 itsplit 1 - acceleration/energy drift too large 5.47006528594019 - 18.6119922012360 split increased to 2 itime 305913 + acceleration/energy drift too large 5.12573017383980 + 14.2364121949043 split increased to 2 itime 306760 itsplit 1 - acceleration/energy drift too large 4.36090742371089 - 16.0707712500590 split increased to 2 itime 307806 + acceleration/energy drift too large 6.55162723167004 + 21.3452305347537 split increased to 2 itime 309522 itsplit 1 - acceleration/energy drift too large 5.78933950278265 - 15.4887855891323 split increased to 2 itime 308067 + acceleration/energy drift too large 5.42353852781227 + 16.6293535288344 split increased to 2 itime 309761 itsplit 1 - acceleration/energy drift too large 6.00010328017043 - 17.9279340627604 split increased to 2 itime 309665 +Velocities reset to random values, time 61999.80 + acceleration/energy drift too large 3.23889653535032 + 15.7317294457189 split increased to 2 itime 310691 itsplit 1 - acceleration/energy drift too large 3.24541600676081 - 10.2002976141646 split increased to 2 itime 309907 + acceleration/energy drift too large 3.06279839621308 + 11.2823995345813 split increased to 2 itime 310837 itsplit 1 -Velocities reset to random values, time 61999.80 - acceleration/energy drift too large 1.57988619191636 - 15.8076830206352 split increased to 2 itime 310385 + acceleration/energy drift too large 5.95275204371731 + 23.7990889338938 split increased to 2 itime 314175 + itsplit 1 + acceleration/energy drift too large 2.10792959972041 + 10.9581796518699 split increased to 2 itime 314420 + itsplit 1 + acceleration/energy drift too large 2.36326887750937 + 10.2192149117571 split increased to 2 itime 314734 itsplit 1 - acceleration/energy drift too large 8.18014635192363 - 28.0593848813975 split increased to 2 itime 312985 + acceleration/energy drift too large 2.12790661630468 + 10.5022673582976 split increased to 2 itime 315054 itsplit 1 - acceleration/energy drift too large 2.33150861681571 - 11.4815032368564 split increased to 2 itime 313167 + acceleration/energy drift too large 3.73550685807948 + 12.8630928590016 split increased to 2 itime 317893 itsplit 1 - acceleration/energy drift too large 7.86916827700445 - 30.9957201611157 split increased to 2 itime 314554 + acceleration/energy drift too large 4.65661335551136 + 17.5605298101154 split increased to 2 itime 319752 itsplit 1 - acceleration/energy drift too large 10.6617905701826 - 46.6034537820851 split increased to 2 itime 315154 + acceleration/energy drift too large 8.25184122192299 + 38.9796137074094 split increased to 2 itime 319848 itsplit 1 - acceleration/energy drift too large 3.66440750901955 - 20.4676098657149 split increased to 2 itime 315481 + acceleration/energy drift too large 9.98445053141850 + 43.7801007623462 split increased to 2 itime 319862 + itsplit 1 + acceleration/energy drift too large 4.87802310806314 + 18.3454748983627 split increased to 2 itime 319891 itsplit 1 Velocities reset to random values, time 63999.80 - acceleration/energy drift too large 2.39463220234441 - 10.4728553312615 split increased to 2 itime 322451 + acceleration/energy drift too large 3.74651357136715 + 10.1310118324512 split increased to 2 itime 320074 + itsplit 1 + acceleration/energy drift too large 3.29102321256197 + 10.2856452283981 split increased to 2 itime 320091 + itsplit 1 + acceleration/energy drift too large 2.72574311189301 + 10.2454733224449 split increased to 2 itime 320092 itsplit 1 - acceleration/energy drift too large 7.13329635658139 - 20.2276122837697 split increased to 2 itime 323751 + acceleration/energy drift too large 3.68778021687683 + 10.4178185310908 split increased to 2 itime 320118 itsplit 1 - acceleration/energy drift too large 3.12073042991107 - 23.8058701954618 split increased to 2 itime 324262 + acceleration/energy drift too large 6.28828378546653 + 19.3874236682652 split increased to 2 itime 322733 itsplit 1 - acceleration/energy drift too large 4.95127578640813 - 13.6277428912764 split increased to 2 itime 326405 + acceleration/energy drift too large 6.00718317089397 + 27.9139512986341 split increased to 2 itime 324033 itsplit 1 - acceleration/energy drift too large 3.94302510404216 - 14.3050194790243 split increased to 2 itime 326516 + acceleration/energy drift too large 4.76966061527189 + 13.2108599143272 split increased to 2 itime 324417 itsplit 1 - acceleration/energy drift too large 7.70336276126331 - 30.4653326645627 split increased to 2 itime 327311 + acceleration/energy drift too large 10.3415554037085 + 50.6069233836537 split increased to 2 itime 324579 itsplit 1 - acceleration/energy drift too large 2.14945731392158 - 11.0402503418114 split increased to 2 itime 329749 + acceleration/energy drift too large 7.34470740114270 + 15.2805029692579 split increased to 2 itime 325636 itsplit 1 - acceleration/energy drift too large 1.96598025355131 - 11.1611501389205 split increased to 2 itime 329992 + acceleration/energy drift too large 8.73462824416868 + 35.3192103659400 split increased to 2 itime 326429 + itsplit 1 + acceleration/energy drift too large 5.78504739262277 + 14.7601123661241 split increased to 2 itime 327431 itsplit 1 Velocities reset to random values, time 65999.80 - acceleration/energy drift too large 4.51681682489947 - 19.2612884956617 split increased to 2 itime 331485 + acceleration/energy drift too large 4.10052059161875 + 11.9119238457208 split increased to 2 itime 330153 itsplit 1 - acceleration/energy drift too large 6.99338235112554 - 17.8366713951685 split increased to 2 itime 334848 + acceleration/energy drift too large 4.84313096892538 + 15.9612891830595 split increased to 2 itime 331151 itsplit 1 - acceleration/energy drift too large 2.92502706654216 - 20.2546769500537 split increased to 2 itime 335356 + acceleration/energy drift too large 3.88519136967124 + 10.1333548831864 split increased to 2 itime 332952 itsplit 1 -Velocities reset to random values, time 67999.80 - acceleration/energy drift too large 2.96714410237503 - 18.0797101620718 split increased to 2 itime 340415 + acceleration/energy drift too large 14.0180250529983 + 71.4236155543714 split increased to 2 itime 334414 itsplit 1 - acceleration/energy drift too large 4.89200580561368 - 12.4782613433584 split increased to 2 itime 340717 + acceleration/energy drift too large 8.09659531463820 + 33.4074353746263 split increased to 2 itime 335607 itsplit 1 - acceleration/energy drift too large 6.04257981154011 - 17.8783583247033 split increased to 2 itime 342837 + acceleration/energy drift too large 4.83787428394441 + 12.6559769656188 split increased to 2 itime 337246 itsplit 1 - acceleration/energy drift too large 5.62826106164419 - 12.5200900481570 split increased to 2 itime 343711 + acceleration/energy drift too large 4.01925590012436 + 10.3800078141572 split increased to 2 itime 337543 itsplit 1 - acceleration/energy drift too large 5.10306475401487 - 15.4530311069751 split increased to 2 itime 344168 +Velocities reset to random values, time 67999.80 + acceleration/energy drift too large 5.75806757951017 + 14.8481276324008 split increased to 2 itime 340043 + itsplit 1 + acceleration/energy drift too large 9.49863327793092 + 42.7253111914461 split increased to 2 itime 340533 itsplit 1 - acceleration/energy drift too large 3.94565809800341 - 12.5619675057818 split increased to 2 itime 344284 + acceleration/energy drift too large 6.11398065869347 + 11.6716675452473 split increased to 2 itime 341006 itsplit 1 - acceleration/energy drift too large 4.15608875696153 - 13.5389651061581 split increased to 2 itime 345458 + acceleration/energy drift too large 6.10457354812252 + 18.4520868488829 split increased to 2 itime 342058 itsplit 1 - acceleration/energy drift too large 2.91810714105702 - 11.2916217265935 split increased to 2 itime 345531 + acceleration/energy drift too large 4.28786336275159 + 14.2798607765123 split increased to 2 itime 344190 itsplit 1 - acceleration/energy drift too large 4.65018698442269 - 14.8375637397349 split increased to 2 itime 346191 + acceleration/energy drift too large 7.89039096881630 + 24.9334882081709 split increased to 2 itime 347945 itsplit 1 - acceleration/energy drift too large 3.28861495752257 - 23.0785264685811 split increased to 2 itime 348769 + acceleration/energy drift too large 8.26289683278602 + 24.4093439540585 split increased to 2 itime 349348 itsplit 1 Velocities reset to random values, time 69999.80 - acceleration/energy drift too large 12.9616498873059 - 66.4267814274533 split increased to 2 itime 352358 + acceleration/energy drift too large 2.64128889508357 + 12.0315473791651 split increased to 2 itime 351553 + itsplit 1 + acceleration/energy drift too large 4.82970237461517 + 13.5992711587789 split increased to 2 itime 352523 + itsplit 1 + acceleration/energy drift too large 7.55084874761397 + 28.2602671429188 split increased to 2 itime 358268 itsplit 1 - acceleration/energy drift too large 6.07400056543139 - 18.7799226327284 split increased to 2 itime 356563 + acceleration/energy drift too large 8.94764483932842 + 35.5760339508988 split increased to 2 itime 358477 itsplit 1 - acceleration/energy drift too large 3.45844607215838 - 16.9349894955048 split increased to 2 itime 359360 + acceleration/energy drift too large 4.28015471588924 + 10.7009988051356 split increased to 2 itime 358478 itsplit 1 Velocities reset to random values, time 71999.80 - acceleration/energy drift too large 5.94407265041726 - 18.6685796854342 split increased to 2 itime 360756 + acceleration/energy drift too large 9.26969001226770 + 42.7830304475367 split increased to 2 itime 364147 itsplit 1 - acceleration/energy drift too large 4.70979344926379 - 11.5727969939442 split increased to 2 itime 360797 + acceleration/energy drift too large 4.67586347621599 + 12.5482541376921 split increased to 2 itime 366519 itsplit 1 - acceleration/energy drift too large 9.64906636289422 - 41.9436076684552 split increased to 2 itime 362960 + acceleration/energy drift too large 6.41481318096808 + 14.4082845810489 split increased to 2 itime 367400 itsplit 1 - acceleration/energy drift too large 4.37678529242110 - 11.6873090123918 split increased to 2 itime 363553 + acceleration/energy drift too large 3.94923410567777 + 11.6983875440461 split increased to 2 itime 367443 itsplit 1 - acceleration/energy drift too large 2.77686498537882 - 16.2459969887775 split increased to 2 itime 364280 + acceleration/energy drift too large 3.46240637809543 + 10.8170229129344 split increased to 2 itime 368444 itsplit 1 - acceleration/energy drift too large 7.82079694629768 - 20.0562560642309 split increased to 2 itime 366028 +Velocities reset to random values, time 73999.80 + acceleration/energy drift too large 6.86176904284407 + 15.4940508931412 split increased to 2 itime 370062 itsplit 1 - acceleration/energy drift too large 6.38154922365337 - 19.2648740453593 split increased to 2 itime 367671 + acceleration/energy drift too large 5.12084004739841 + 16.2574632464893 split increased to 2 itime 370452 itsplit 1 - acceleration/energy drift too large 2.98815639133230 - 18.8168906719715 split increased to 2 itime 368714 + acceleration/energy drift too large 6.76099083635789 + 11.5846290838049 split increased to 2 itime 374196 itsplit 1 - acceleration/energy drift too large 3.87520211940088 - 16.3862869932882 split increased to 2 itime 368738 + acceleration/energy drift too large 5.37735058611209 + 11.7371502364196 split increased to 2 itime 374990 itsplit 1 - acceleration/energy drift too large 7.33452635636827 - 22.2992974869247 split increased to 2 itime 369611 + acceleration/energy drift too large 7.47771109218572 + 23.8251093422440 split increased to 2 itime 376242 itsplit 1 -Velocities reset to random values, time 73999.80 - acceleration/energy drift too large 4.23353208436053 - 13.0007702478467 split increased to 2 itime 371854 + acceleration/energy drift too large 6.30886673124347 + 20.6672578587837 split increased to 2 itime 377368 itsplit 1 - acceleration/energy drift too large 12.9107381885432 - 73.9069129695839 split increased to 2 itime 373997 + acceleration/energy drift too large 5.58394265782339 + 13.7088097288468 split increased to 2 itime 377713 itsplit 1 - acceleration/energy drift too large 2.56556741948068 - 12.3639539515507 split increased to 4 itime 373997 +Velocities reset to random values, time 75999.80 + acceleration/energy drift too large 3.75985341363485 + 10.9203595229680 split increased to 2 itime 380449 itsplit 1 - acceleration/energy drift too large 3.80366785571198 - 12.2139021895036 split increased to 2 itime 374953 + acceleration/energy drift too large 4.61595659027962 + 10.0285448996338 split increased to 2 itime 381941 itsplit 1 - acceleration/energy drift too large 3.19929708427991 - 19.4881951369311 split increased to 2 itime 376436 + acceleration/energy drift too large 14.7929013117910 + 79.8142561748281 split increased to 2 itime 385639 itsplit 1 - acceleration/energy drift too large 6.81607910776819 - 25.2599476544377 split increased to 2 itime 377164 + acceleration/energy drift too large 2.88876974459196 + 13.8007780886163 split increased to 4 itime 385639 + itsplit 2 + acceleration/energy drift too large 5.35939974367396 + 13.4228459123920 split increased to 2 itime 386353 itsplit 1 - acceleration/energy drift too large 8.10144085502464 - 30.0271609870526 split increased to 2 itime 379412 + acceleration/energy drift too large 6.54722075548949 + 14.7786217610687 split increased to 2 itime 387391 itsplit 1 -Velocities reset to random values, time 75999.80 - acceleration/energy drift too large 6.32978937783952 - 15.4512994858330 split increased to 2 itime 383375 + acceleration/energy drift too large 5.81280427651640 + 10.4829174377707 split increased to 2 itime 389495 itsplit 1 - acceleration/energy drift too large 3.08494460271988 - 19.1132284606523 split increased to 2 itime 383623 + acceleration/energy drift too large 7.95659278752673 + 20.8084719246384 split increased to 2 itime 389747 itsplit 1 Velocities reset to random values, time 77999.80 - acceleration/energy drift too large 3.53196403810627 - 26.9094464923746 split increased to 2 itime 391200 + acceleration/energy drift too large 5.97699623434320 + 13.8708554472410 split increased to 2 itime 390042 itsplit 1 - acceleration/energy drift too large 5.81718668468991 - 13.0330358004952 split increased to 2 itime 392321 + acceleration/energy drift too large 12.0160311647675 + 58.8595555573153 split increased to 2 itime 391159 itsplit 1 - acceleration/energy drift too large 7.25426995272764 - 19.8179378851695 split increased to 2 itime 394326 + acceleration/energy drift too large 6.28457980185172 + 20.0315510444667 split increased to 2 itime 391531 itsplit 1 - acceleration/energy drift too large 5.68010372457845 - 19.3336631199910 split increased to 2 itime 395184 + acceleration/energy drift too large 8.04272419132209 + 34.7128567403093 split increased to 2 itime 391617 itsplit 1 - acceleration/energy drift too large 7.44491788150884 - 18.0916627175266 split increased to 2 itime 395697 + acceleration/energy drift too large 8.85626058425943 + 20.5868521258332 split increased to 2 itime 392558 itsplit 1 - acceleration/energy drift too large 5.02901589418160 - 15.2021112595187 split increased to 2 itime 396477 + acceleration/energy drift too large 2.56791406558682 + 21.9318063886533 split increased to 2 itime 394052 + itsplit 1 + acceleration/energy drift too large 5.79279614744002 + 10.8272090192592 split increased to 2 itime 397578 itsplit 1 Velocities reset to random values, time 79999.80 REMD synchro at 400000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 166.960937500000 0.000000000000000E+000 + REMD gather times= 142.207031250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.75000 4 -ACC 2 260.00000 0.00000 4 -ACC 3 270.00000 0.75000 4 -ACC 4 280.00000 0.25000 4 -ACC 5 290.00000 0.25000 4 -ACC 6 300.00000 0.75000 4 -ACC 7 310.00000 0.50000 4 -ACC 8 320.00000 0.75000 4 -ACC 9 330.00000 0.25000 4 -ACC 10 340.00000 0.75000 4 -ACC 11 350.00000 1.00000 4 -ACC 12 360.00000 1.00000 4 -ACC 13 370.00000 0.75000 4 -ACC 14 380.00000 0.75000 4 -ACC 15 390.00000 1.00000 4 +ACC 1 250.00000 0.50000 4 +ACC 2 260.00000 0.75000 4 +ACC 3 270.00000 0.25000 4 +ACC 4 280.00000 0.75000 4 +ACC 5 290.00000 0.50000 4 +ACC 6 300.00000 0.25000 4 +ACC 7 310.00000 0.75000 4 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 2.59780856560672 - 11.0817550876666 split increased to 2 itime 400004 - itsplit 1 - acceleration/energy drift too large 2.44559029483404 - 10.9124147043117 split increased to 2 itime 400085 - itsplit 1 - acceleration/energy drift too large 5.68818357288487 - 20.5361782478856 split increased to 2 itime 400400 - itsplit 1 - acceleration/energy drift too large 5.05734016575414 - 13.6295437219163 split increased to 2 itime 401309 + acceleration/energy drift too large 4.14567228098298 + 10.1578960684591 split increased to 2 itime 400239 itsplit 1 - acceleration/energy drift too large 1.86254780196559 - 10.7681277520174 split increased to 2 itime 401310 + acceleration/energy drift too large 5.26879957487070 + 14.9554992185830 split increased to 2 itime 403068 itsplit 1 - acceleration/energy drift too large 5.77747979903795 - 36.0645897333760 split increased to 2 itime 402402 + acceleration/energy drift too large 6.18212511832475 + 13.8497003007966 split increased to 2 itime 403703 itsplit 1 - acceleration/energy drift too large 4.00144038270504 - 13.8135429047821 split increased to 2 itime 402737 + acceleration/energy drift too large 3.13574683222475 + 20.6003491953937 split increased to 2 itime 403986 itsplit 1 - acceleration/energy drift too large 4.29866175957193 - 10.0976949757903 split increased to 2 itime 404479 + acceleration/energy drift too large 4.86642858228489 + 10.4745895797771 split increased to 2 itime 405458 itsplit 1 - acceleration/energy drift too large 6.41008463083451 - 13.7772260179748 split increased to 2 itime 405234 + acceleration/energy drift too large 9.57678893274423 + 41.8164349224563 split increased to 2 itime 407330 itsplit 1 - acceleration/energy drift too large 3.65977818250669 - 21.5112992670215 split increased to 2 itime 407060 + acceleration/energy drift too large 5.74643317022720 + 17.6640554807391 split increased to 2 itime 407858 itsplit 1 - acceleration/energy drift too large 2.90222860612122 - 17.7471796738947 split increased to 2 itime 407456 + acceleration/energy drift too large 8.42855117796255 + 36.4545138182843 split increased to 2 itime 408162 itsplit 1 - acceleration/energy drift too large 1.98624372560750 - 11.0656152878900 split increased to 2 itime 407903 + acceleration/energy drift too large 2.12413667696868 + 10.7871231250817 split increased to 2 itime 409232 itsplit 1 - acceleration/energy drift too large 5.58524217331859 - 20.8399337375896 split increased to 2 itime 408143 + acceleration/energy drift too large 4.71100166918187 + 20.3524236996367 split increased to 2 itime 409536 itsplit 1 - acceleration/energy drift too large 12.5080707399777 - 81.2621738576996 split increased to 2 itime 408663 + acceleration/energy drift too large 6.35337386900691 + 15.7638626073734 split increased to 2 itime 409911 itsplit 1 - acceleration/energy drift too large 4.30164184470336 - 13.6203251228429 split increased to 2 itime 408809 +Velocities reset to random values, time 81999.80 + acceleration/energy drift too large 4.98978628172275 + 26.9995069999471 split increased to 2 itime 410033 itsplit 1 - acceleration/energy drift too large 5.34980338712054 - 12.4850829533231 split increased to 2 itime 408939 + acceleration/energy drift too large 4.81677407642133 + 10.3512421931891 split increased to 2 itime 410511 itsplit 1 - acceleration/energy drift too large 5.31131125255454 - 26.6891083725577 split increased to 2 itime 409617 + acceleration/energy drift too large 4.52330948418696 + 10.3258244589606 split increased to 2 itime 410698 itsplit 1 -Velocities reset to random values, time 81999.80 - acceleration/energy drift too large 6.60630620182258 - 10.4878867662942 split increased to 2 itime 411464 + acceleration/energy drift too large 6.88819219583650 + 11.0560422631759 split increased to 2 itime 411348 itsplit 1 - acceleration/energy drift too large 5.45184442941929 - 12.1836684769349 split increased to 2 itime 411500 + acceleration/energy drift too large 4.86962350633540 + 17.0945531822521 split increased to 2 itime 411351 itsplit 1 - acceleration/energy drift too large 4.49802478305205 - 16.6749389559801 split increased to 2 itime 412452 + acceleration/energy drift too large 1.88156696200276 + 10.3421448806290 split increased to 2 itime 411759 itsplit 1 - acceleration/energy drift too large 2.38876176430168 - 16.6560142798763 split increased to 2 itime 414243 + acceleration/energy drift too large 5.73366917099341 + 15.3661744697827 split increased to 2 itime 412122 itsplit 1 - acceleration/energy drift too large 7.04529849219812 - 16.3261240936741 split increased to 2 itime 414244 + acceleration/energy drift too large 11.3314904545428 + 58.8117035957041 split increased to 2 itime 412980 itsplit 1 - acceleration/energy drift too large 8.08863020950185 - 16.5372075140584 split increased to 2 itime 414772 + acceleration/energy drift too large 4.19616087679523 + 11.3975413678154 split increased to 2 itime 414926 itsplit 1 - acceleration/energy drift too large 2.42346890137440 - 10.9395480461588 split increased to 2 itime 416362 + acceleration/energy drift too large 9.22093351213105 + 39.9102569263772 split increased to 2 itime 415199 itsplit 1 - acceleration/energy drift too large 5.61471500099901 - 16.4366665797215 split increased to 2 itime 417905 + acceleration/energy drift too large 13.6999565807434 + 97.1386513239219 split increased to 2 itime 415470 itsplit 1 - acceleration/energy drift too large 5.79486989965426 - 14.4840979963871 split increased to 2 itime 418040 + acceleration/energy drift too large 8.38594431501939 + 39.1092958788721 split increased to 2 itime 415702 itsplit 1 - acceleration/energy drift too large 3.72297878246984 - 11.6413738687437 split increased to 2 itime 419003 + acceleration/energy drift too large 6.15071490150246 + 12.8677661513302 split increased to 2 itime 415840 itsplit 1 -Velocities reset to random values, time 83999.80 - acceleration/energy drift too large 2.92602109555918 - 10.8500017082320 split increased to 2 itime 420079 + acceleration/energy drift too large 5.81221726591516 + 13.4493560133215 split increased to 2 itime 415872 itsplit 1 - acceleration/energy drift too large 3.03114352899790 - 12.2362804405950 split increased to 2 itime 420081 + acceleration/energy drift too large 5.77047191820640 + 30.6824346361908 split increased to 2 itime 416954 itsplit 1 - acceleration/energy drift too large 2.35295543370644 - 11.3124450907815 split increased to 2 itime 420151 + acceleration/energy drift too large 6.89063540129696 + 19.9581605868142 split increased to 2 itime 417469 itsplit 1 - acceleration/energy drift too large 3.50348613860968 - 10.5467273708566 split increased to 2 itime 420175 + acceleration/energy drift too large 5.33664948054752 + 28.2304603771255 split increased to 2 itime 417519 itsplit 1 - acceleration/energy drift too large 2.82432865426328 - 10.3113332225141 split increased to 2 itime 420192 + acceleration/energy drift too large 2.06516833029651 + 16.8491351660898 split increased to 2 itime 417520 itsplit 1 - acceleration/energy drift too large 2.70656074693697 - 10.0456760209242 split increased to 2 itime 421552 + acceleration/energy drift too large 2.10635687252004 + 12.2726846527051 split increased to 2 itime 417724 itsplit 1 - acceleration/energy drift too large 2.46788759077814 - 10.1116659626759 split increased to 2 itime 421658 + acceleration/energy drift too large 9.70107182906802 + 51.4276685346757 split increased to 2 itime 418042 itsplit 1 - acceleration/energy drift too large 3.67050297705873 - 10.0962372187293 split increased to 2 itime 426084 + acceleration/energy drift too large 11.4256124324001 + 58.2059294231570 split increased to 2 itime 418358 itsplit 1 - acceleration/energy drift too large 3.97684964995184 - 10.7591533487442 split increased to 2 itime 426299 + acceleration/energy drift too large 10.7827002501673 + 50.8778503669460 split increased to 2 itime 418752 itsplit 1 - acceleration/energy drift too large 9.25427866291566 - 38.2844338203228 split increased to 2 itime 426426 + acceleration/energy drift too large 3.38779869238113 + 14.2949788584074 split increased to 2 itime 419039 itsplit 1 - acceleration/energy drift too large 2.68429290102680 - 10.5141228444183 split increased to 2 itime 429256 + acceleration/energy drift too large 7.73775161940364 + 19.0972736713189 split increased to 2 itime 419548 itsplit 1 - acceleration/energy drift too large 5.47483933213597 - 25.5454150764071 split increased to 2 itime 429395 - itsplit 1 -Velocities reset to random values, time 85999.80 - acceleration/energy drift too large 5.85310064119882 - 16.4669841887824 split increased to 2 itime 431219 +Velocities reset to random values, time 83999.80 + acceleration/energy drift too large 5.68605719055494 + 21.6155603471239 split increased to 2 itime 420225 itsplit 1 - acceleration/energy drift too large 6.61629535889058 - 14.6407177296350 split increased to 2 itime 431325 + acceleration/energy drift too large 5.68892820627231 + 19.4118502192566 split increased to 2 itime 420861 itsplit 1 - acceleration/energy drift too large 4.22037690861979 - 11.0314101364106 split increased to 2 itime 432636 + acceleration/energy drift too large 10.0439734218588 + 47.2487033187966 split increased to 2 itime 421670 itsplit 1 - acceleration/energy drift too large 6.30258627430140 - 16.7454931917144 split increased to 2 itime 437710 + acceleration/energy drift too large 5.47339412743500 + 33.2829258899845 split increased to 2 itime 422120 itsplit 1 - acceleration/energy drift too large 4.93028585222448 - 10.1146828248222 split increased to 2 itime 438488 + acceleration/energy drift too large 6.19600868142090 + 19.2464493455467 split increased to 2 itime 422162 itsplit 1 -Velocities reset to random values, time 87999.80 - acceleration/energy drift too large 5.70381729639942 - 18.3306074432939 split increased to 2 itime 440031 + acceleration/energy drift too large 4.42550335198184 + 13.3002774407281 split increased to 2 itime 422313 itsplit 1 - acceleration/energy drift too large 1.73304160727283 - 15.2623764747987 split increased to 2 itime 440032 + acceleration/energy drift too large 7.61733544602201 + 19.1646738304554 split increased to 2 itime 424281 itsplit 1 - acceleration/energy drift too large 4.56485756154144 - 10.3226744059756 split increased to 2 itime 441403 + acceleration/energy drift too large 5.51313231984201 + 13.1304765302765 split increased to 2 itime 429269 itsplit 1 - acceleration/energy drift too large 8.34392273423473 - 37.6529947252206 split increased to 2 itime 441652 + acceleration/energy drift too large 3.89946265645200 + 13.0965168402541 split increased to 2 itime 429391 itsplit 1 - acceleration/energy drift too large 14.5377310527035 - 93.8365599058750 split increased to 2 itime 441798 +Velocities reset to random values, time 85999.80 + acceleration/energy drift too large 3.00944054106349 + 21.7443452420508 split increased to 2 itime 430461 itsplit 1 - acceleration/energy drift too large 4.80006721709591 - 12.1840925755445 split increased to 2 itime 441908 + acceleration/energy drift too large 14.8954181967819 + 88.4048105887835 split increased to 2 itime 431823 itsplit 1 - acceleration/energy drift too large 4.26879957960456 - 15.0542603059793 split increased to 2 itime 442136 + acceleration/energy drift too large 9.94176516095727 + 42.4872497219224 split increased to 2 itime 432022 itsplit 1 - acceleration/energy drift too large 5.81606763576605 - 11.3205012944265 split increased to 2 itime 442787 + acceleration/energy drift too large 6.23470882474163 + 15.5525453252929 split increased to 2 itime 432171 itsplit 1 - acceleration/energy drift too large 6.68458225828296 - 16.0269377752747 split increased to 2 itime 443702 + acceleration/energy drift too large 5.41918616258370 + 17.1080467249397 split increased to 2 itime 432500 itsplit 1 - acceleration/energy drift too large 1.08876571849410 - 11.3106978689261 split increased to 2 itime 444787 + acceleration/energy drift too large 2.27676135901298 + 18.5049601529521 split increased to 2 itime 433330 itsplit 1 - acceleration/energy drift too large 4.60158225588970 - 12.8753355128081 split increased to 2 itime 445191 + acceleration/energy drift too large 7.00769995839438 + 19.2896079520490 split increased to 2 itime 433613 itsplit 1 - acceleration/energy drift too large 5.71284368271182 - 13.0441493668053 split increased to 2 itime 446498 + acceleration/energy drift too large 6.93690090424629 + 17.8341756590310 split increased to 2 itime 434441 itsplit 1 - acceleration/energy drift too large 4.08975449515228 - 11.1980395520096 split increased to 2 itime 448765 + acceleration/energy drift too large 5.55354232096533 + 11.4205064214690 split increased to 2 itime 435356 itsplit 1 -Velocities reset to random values, time 89999.80 - acceleration/energy drift too large 5.51806760767473 - 10.0389181763390 split increased to 2 itime 451444 + acceleration/energy drift too large 5.14853138938794 + 10.6050654215215 split increased to 2 itime 435618 itsplit 1 - acceleration/energy drift too large 4.89601834431224 - 15.3498037181972 split increased to 2 itime 451972 + acceleration/energy drift too large 6.60092337728288 + 33.0101512112822 split increased to 2 itime 437350 itsplit 1 - acceleration/energy drift too large 6.23720488219205 - 17.1851054054325 split increased to 2 itime 452084 +Velocities reset to random values, time 87999.80 + acceleration/energy drift too large 13.6592896856749 + 88.9015219630973 split increased to 2 itime 441774 itsplit 1 - acceleration/energy drift too large 4.58932054602775 - 18.7977500343322 split increased to 2 itime 452929 + acceleration/energy drift too large 2.46348004182816 + 12.3782291996004 split increased to 4 itime 441774 + itsplit 2 + acceleration/energy drift too large 3.54043967380647 + 10.0486808607833 split increased to 2 itime 445866 itsplit 1 - acceleration/energy drift too large 5.56237123733507 - 12.7913744548320 split increased to 2 itime 453216 + acceleration/energy drift too large 2.92455430247481 + 12.6524247842736 split increased to 2 itime 445867 itsplit 1 - acceleration/energy drift too large 3.58279615868732 - 15.2959406203168 split increased to 2 itime 453219 + acceleration/energy drift too large 7.67544554731927 + 19.4810564394497 split increased to 2 itime 446724 itsplit 1 - acceleration/energy drift too large 11.1213772478023 - 46.3841950544220 split increased to 2 itime 453872 + acceleration/energy drift too large 3.90099766073171 + 23.3560809141264 split increased to 2 itime 447228 itsplit 1 - acceleration/energy drift too large 4.13851622806596 - 10.6780468380809 split increased to 2 itime 454381 + acceleration/energy drift too large 4.45798668066122 + 18.9807961373059 split increased to 2 itime 447281 itsplit 1 - acceleration/energy drift too large 3.74630404792018 - 10.6581469173462 split increased to 2 itime 454481 + acceleration/energy drift too large 5.38438019262344 + 15.3390845045811 split increased to 2 itime 447978 itsplit 1 - acceleration/energy drift too large 4.82383104561475 - 17.6019974643713 split increased to 2 itime 459150 + acceleration/energy drift too large 7.83099699189810 + 30.8507751399870 split increased to 2 itime 448101 itsplit 1 - acceleration/energy drift too large 3.45230359857573 - 23.0707364820223 split increased to 2 itime 459423 + acceleration/energy drift too large 4.00293276106146 + 10.8990379064475 split increased to 2 itime 449799 itsplit 1 -Velocities reset to random values, time 91999.80 - acceleration/energy drift too large 7.55651341940125 - 14.3161472057622 split increased to 2 itime 461291 +Velocities reset to random values, time 89999.80 + acceleration/energy drift too large 5.44186349482767 + 11.7812184181700 split increased to 2 itime 450609 itsplit 1 - acceleration/energy drift too large 2.84539568842633 - 10.0410781864573 split increased to 2 itime 461328 + acceleration/energy drift too large 3.69746589967971 + 26.7797868914454 split increased to 2 itime 450725 itsplit 1 - acceleration/energy drift too large 5.09560757168631 - 24.7295693849353 split increased to 2 itime 461748 + acceleration/energy drift too large 4.90272624177840 + 15.5522169854892 split increased to 2 itime 451433 itsplit 1 - acceleration/energy drift too large 8.88064083784093 - 30.2571500008540 split increased to 2 itime 464140 + acceleration/energy drift too large 3.82784652554982 + 10.1898089243181 split increased to 2 itime 451879 itsplit 1 - acceleration/energy drift too large 13.0478806998572 - 65.6988585618023 split increased to 2 itime 464242 + acceleration/energy drift too large 5.56788751877978 + 11.8970075207578 split increased to 2 itime 452078 itsplit 1 - acceleration/energy drift too large 5.73682788280344 - 14.3504756669256 split increased to 2 itime 464954 + acceleration/energy drift too large 2.76614285514433 + 10.5797415108156 split increased to 2 itime 453603 itsplit 1 - acceleration/energy drift too large 7.06956444842371 - 30.1039942405940 split increased to 2 itime 467521 + acceleration/energy drift too large 7.25151819919390 + 20.0896368521627 split increased to 2 itime 453866 itsplit 1 - acceleration/energy drift too large 3.66467429207180 - 10.9559110978075 split increased to 2 itime 469986 + acceleration/energy drift too large 4.69451494698192 + 14.5495489447828 split increased to 2 itime 455115 itsplit 1 -Velocities reset to random values, time 93999.80 - acceleration/energy drift too large 3.19800585602260 - 21.7405857986595 split increased to 2 itime 470659 + acceleration/energy drift too large 3.38606018946030 + 15.1745359112982 split increased to 2 itime 459874 itsplit 1 - acceleration/energy drift too large 8.85430114988912 - 23.2552825825834 split increased to 2 itime 472016 +Velocities reset to random values, time 91999.80 + acceleration/energy drift too large 7.28381859127254 + 28.8170158661161 split increased to 2 itime 460048 itsplit 1 - acceleration/energy drift too large 2.35868460260603 - 15.3591816065782 split increased to 2 itime 472868 + acceleration/energy drift too large 5.50560429472906 + 17.9092464370252 split increased to 2 itime 460057 itsplit 1 - acceleration/energy drift too large 6.00277478241406 - 13.0879192096663 split increased to 2 itime 473029 + acceleration/energy drift too large 4.23591585270680 + 20.5737691935078 split increased to 2 itime 461251 itsplit 1 - acceleration/energy drift too large 6.03556984952876 - 14.4925823131893 split increased to 2 itime 474235 + acceleration/energy drift too large 2.97364607213663 + 16.2878430012388 split increased to 2 itime 462933 itsplit 1 - acceleration/energy drift too large 8.03857879222263 - 31.3892393963778 split increased to 2 itime 475769 + acceleration/energy drift too large 6.19520367692832 + 17.4084279927807 split increased to 2 itime 464563 itsplit 1 - acceleration/energy drift too large 2.68094275793852 - 14.4922156138871 split increased to 2 itime 476470 + acceleration/energy drift too large 4.58270491687804 + 17.4416067257404 split increased to 2 itime 467590 itsplit 1 - acceleration/energy drift too large 1.64801565014529 - 10.9824660838088 split increased to 2 itime 477499 + acceleration/energy drift too large 5.69178354110884 + 17.2005257371764 split increased to 2 itime 467903 itsplit 1 - acceleration/energy drift too large 3.01622375647000 - 17.5365461156522 split increased to 2 itime 477839 +Velocities reset to random values, time 93999.80 + acceleration/energy drift too large 6.36991829220413 + 16.7399045121755 split increased to 2 itime 471061 itsplit 1 - acceleration/energy drift too large 5.67247664914790 - 17.1511889192023 split increased to 2 itime 478453 + acceleration/energy drift too large 6.66292893746631 + 26.6111200024138 split increased to 2 itime 471818 itsplit 1 - acceleration/energy drift too large 4.12416409244210 - 25.2642031131087 split increased to 2 itime 478670 + acceleration/energy drift too large 9.16590331677039 + 44.3675816236730 split increased to 2 itime 474251 itsplit 1 - acceleration/energy drift too large 2.81395930873809 - 17.9298693833074 split increased to 2 itime 479589 + acceleration/energy drift too large 2.24213841823808 + 10.6467743867935 split increased to 4 itime 474251 itsplit 1 -Velocities reset to random values, time 95999.80 - acceleration/energy drift too large 9.71006888965418 - 43.5334053650288 split increased to 2 itime 482223 + acceleration/energy drift too large 6.07530930255569 + 19.3861838883052 split increased to 2 itime 474615 itsplit 1 - acceleration/energy drift too large 2.35740672815709 - 12.0451634727567 split increased to 4 itime 482223 + acceleration/energy drift too large 4.67360320512719 + 12.2887885754669 split increased to 2 itime 474986 itsplit 1 - acceleration/energy drift too large 5.74927957329776 - 12.6579481794377 split increased to 2 itime 484638 + acceleration/energy drift too large 7.39388547960362 + 23.3712512346473 split increased to 2 itime 477796 itsplit 1 - acceleration/energy drift too large 9.78118034494031 - 28.2828310451464 split increased to 2 itime 484728 + acceleration/energy drift too large 3.81045958994541 + 12.1411538393427 split increased to 2 itime 477824 itsplit 1 - acceleration/energy drift too large 9.68267321371970 - 42.3593847883843 split increased to 2 itime 485494 + acceleration/energy drift too large 14.2587939552438 + 94.1841505100999 split increased to 2 itime 478076 itsplit 1 - acceleration/energy drift too large 4.42579350401370 - 10.2725395270998 split increased to 2 itime 485716 + acceleration/energy drift too large 4.35867205411145 + 18.7295623271397 split increased to 2 itime 478289 itsplit 1 - acceleration/energy drift too large 3.18339360769986 - 10.8570910218073 split increased to 2 itime 485728 +Velocities reset to random values, time 95999.80 + acceleration/energy drift too large 9.85753820722132 + 42.7191060195763 split increased to 2 itime 480521 itsplit 1 - acceleration/energy drift too large 6.44442385760056 - 18.6106258336047 split increased to 2 itime 486176 + acceleration/energy drift too large 8.12583973580350 + 29.5642994627241 split increased to 2 itime 480870 itsplit 1 - acceleration/energy drift too large 6.51892020255872 - 32.4813134923197 split increased to 2 itime 486369 + acceleration/energy drift too large 13.9133803334951 + 88.8021900448253 split increased to 2 itime 481887 itsplit 1 - acceleration/energy drift too large 4.22000676048773 - 13.6083323510623 split increased to 2 itime 488965 + acceleration/energy drift too large 13.9770945592872 + 89.1611692231718 split increased to 2 itime 482673 itsplit 1 -Velocities reset to random values, time 97999.80 - acceleration/energy drift too large 11.3922384870131 - 56.5788223971007 split increased to 2 itime 492841 + acceleration/energy drift too large 6.42504158721127 + 20.7530410264628 split increased to 2 itime 483191 itsplit 1 - acceleration/energy drift too large 8.92256670559727 - 22.8244283306071 split increased to 2 itime 494693 + acceleration/energy drift too large 4.91410421910848 + 16.4803014126304 split increased to 2 itime 483985 itsplit 1 - acceleration/energy drift too large 2.39202541132213 - 12.9894383674737 split increased to 2 itime 495760 + acceleration/energy drift too large 3.95323394703519 + 10.0091370668373 split increased to 2 itime 484203 itsplit 1 - acceleration/energy drift too large 7.61856327644377 - 24.5816129369387 split increased to 2 itime 496465 + acceleration/energy drift too large 2.27882666315951 + 11.1731607585690 split increased to 2 itime 484404 itsplit 1 - acceleration/energy drift too large 6.63742434934600 - 18.8972686128190 split increased to 2 itime 497485 + acceleration/energy drift too large 3.94548236930482 + 12.2148081969839 split increased to 2 itime 484957 itsplit 1 - acceleration/energy drift too large 4.91149919597901 - 12.6508427238783 split increased to 2 itime 498339 + acceleration/energy drift too large 5.80668254820707 + 20.3726089590318 split increased to 2 itime 485342 itsplit 1 - acceleration/energy drift too large 8.14744608405261 - 15.1582373108203 split increased to 2 itime 498340 + acceleration/energy drift too large 4.49839829765005 + 12.1140974876646 split increased to 2 itime 485838 itsplit 1 -Velocities reset to random values, time 99999.80 - REMD synchro at 500000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 - MIN ii_write= 1 - REMD gather times= 208.019531250000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.60000 5 -ACC 2 260.00000 0.20000 5 -ACC 3 270.00000 0.60000 5 -ACC 4 280.00000 0.40000 5 -ACC 5 290.00000 0.20000 5 -ACC 6 300.00000 0.60000 5 -ACC 7 310.00000 0.60000 5 -ACC 8 320.00000 0.80000 5 -ACC 9 330.00000 0.20000 5 -ACC 10 340.00000 0.80000 5 -ACC 11 350.00000 1.00000 5 -ACC 12 360.00000 1.00000 5 -ACC 13 370.00000 0.80000 5 -ACC 14 380.00000 0.80000 5 -ACC 15 390.00000 1.00000 5 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 2.29854593647179 - 15.8073991672753 split increased to 2 itime 502036 + acceleration/energy drift too large 7.02534933565054 + 20.0475189803911 split increased to 2 itime 488704 itsplit 1 - acceleration/energy drift too large 2.68244123688550 - 14.3841304167236 split increased to 2 itime 505566 + acceleration/energy drift too large 6.09847510591320 + 27.7575355802442 split increased to 2 itime 488959 itsplit 1 - acceleration/energy drift too large 4.65532954366415 - 14.4118693418659 split increased to 2 itime 506140 + acceleration/energy drift too large 3.14467409999345 + 24.8978911055659 split increased to 2 itime 489188 itsplit 1 - acceleration/energy drift too large 4.61616847401486 - 16.0163330007229 split increased to 2 itime 506641 +Velocities reset to random values, time 97999.80 + acceleration/energy drift too large 5.45496156591142 + 12.8080092496226 split increased to 2 itime 490079 itsplit 1 - acceleration/energy drift too large 4.44252398805343 - 26.3863252590741 split increased to 2 itime 506748 + acceleration/energy drift too large 4.01837516405972 + 16.7376477139302 split increased to 2 itime 491192 itsplit 1 - acceleration/energy drift too large 13.9011689252740 - 91.4367517490967 split increased to 2 itime 507465 + acceleration/energy drift too large 3.02913904319764 + 15.5200565060933 split increased to 2 itime 491194 itsplit 1 - acceleration/energy drift too large 5.13146849765083 - 18.2873924962788 split increased to 2 itime 508916 + acceleration/energy drift too large 6.29165591621433 + 21.9411176356098 split increased to 2 itime 491333 itsplit 1 - acceleration/energy drift too large 4.95627043395891 - 18.0115126956180 split increased to 2 itime 509723 + acceleration/energy drift too large 6.16037712430891 + 22.2576029652741 split increased to 2 itime 491816 itsplit 1 -Velocities reset to random values, time 101999.80 - acceleration/energy drift too large 3.84433703809153 - 22.5672088375248 split increased to 2 itime 510507 + acceleration/energy drift too large 6.88356193156306 + 23.4281341799772 split increased to 2 itime 492025 itsplit 1 - acceleration/energy drift too large 6.53086514334016 - 18.2161751623721 split increased to 2 itime 511824 + acceleration/energy drift too large 8.82246812127039 + 22.1502942207221 split increased to 2 itime 492336 itsplit 1 - acceleration/energy drift too large 7.48775850056174 - 13.2996337620537 split increased to 2 itime 511999 + acceleration/energy drift too large 2.66397446631173 + 19.8380799829167 split increased to 2 itime 493122 itsplit 1 - acceleration/energy drift too large 4.83672405247937 - 12.3172285924762 split increased to 2 itime 512064 + acceleration/energy drift too large 4.10704288076487 + 13.1472900850458 split increased to 2 itime 494424 itsplit 1 - acceleration/energy drift too large 2.01039213881941 - 10.5616899804902 split increased to 2 itime 513320 + acceleration/energy drift too large 4.55356362668030 + 13.1992717368682 split increased to 2 itime 495279 itsplit 1 - acceleration/energy drift too large 5.69768130593826 - 11.7203499283889 split increased to 2 itime 513345 + acceleration/energy drift too large 2.40735082200164 + 13.0407729891832 split increased to 2 itime 495296 itsplit 1 - acceleration/energy drift too large 10.4388962180242 - 17.0499232887529 split increased to 2 itime 515387 + acceleration/energy drift too large 7.41267982959629 + 28.8525924789304 split increased to 2 itime 495622 itsplit 1 - acceleration/energy drift too large 2.00605906306598 - 11.2345656324404 split increased to 2 itime 518083 + acceleration/energy drift too large 6.41694207665455 + 20.4691503930183 split increased to 2 itime 496512 itsplit 1 - acceleration/energy drift too large 5.22358263004173 - 10.3120136805115 split increased to 2 itime 518914 + acceleration/energy drift too large 5.57535256318552 + 13.8483568079167 split increased to 2 itime 497533 itsplit 1 - acceleration/energy drift too large 7.04738263776422 - 25.8308135932592 split increased to 2 itime 519452 + acceleration/energy drift too large 6.43140432065003 + 14.0325507119251 split increased to 2 itime 497623 itsplit 1 - acceleration/energy drift too large 6.19172046198573 - 18.5340625898011 split increased to 2 itime 519610 + acceleration/energy drift too large 4.09127650127437 + 10.9077688292003 split increased to 2 itime 497756 itsplit 1 -Velocities reset to random values, time 103999.80 - acceleration/energy drift too large 9.15583984836490 - 40.7986540351518 split increased to 2 itime 520138 + acceleration/energy drift too large 3.78353938165421 + 11.0204224132586 split increased to 2 itime 498054 itsplit 1 - acceleration/energy drift too large 6.11449440120927 - 21.9391804943868 split increased to 2 itime 520740 + acceleration/energy drift too large 2.99416537640353 + 13.9986800946547 split increased to 2 itime 498424 itsplit 1 - acceleration/energy drift too large 6.63329310400782 - 10.7404114349471 split increased to 2 itime 522426 + acceleration/energy drift too large 6.34072718536181 + 12.4297537664797 split increased to 2 itime 498504 itsplit 1 - acceleration/energy drift too large 4.54392573270688 - 20.3173990323092 split increased to 2 itime 522875 + acceleration/energy drift too large 6.13931257011917 + 15.5706797784598 split increased to 2 itime 498754 itsplit 1 - acceleration/energy drift too large 4.32796781107870 - 12.5181272050320 split increased to 2 itime 523912 + acceleration/energy drift too large 2.03701510983962 + 12.9465923773051 split increased to 2 itime 499086 itsplit 1 - acceleration/energy drift too large 2.86690969790619 - 17.3250199877835 split increased to 2 itime 524531 +Velocities reset to random values, time 99999.80 + REMD synchro at 500000 + ntwx_cache 1 1 1 1 1 1 1 1 + MIN ii_write= 1 + REMD gather times= 178.105468750000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 + NREP 16 +ACC 1 250.00000 0.60000 5 +ACC 2 260.00000 0.60000 5 +ACC 3 270.00000 0.40000 5 +ACC 4 280.00000 0.80000 5 +ACC 5 290.00000 0.60000 5 +ACC 6 300.00000 0.20000 5 +ACC 7 310.00000 0.80000 5 + REMD scatter time= 0.000000000000000E+000 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 4.02959317601332 + 13.6126190265967 split increased to 2 itime 501459 itsplit 1 - acceleration/energy drift too large 2.66042351249967 - 17.4602906145521 split increased to 2 itime 524635 + acceleration/energy drift too large 3.68807989823371 + 10.4644702780551 split increased to 2 itime 504143 itsplit 1 - acceleration/energy drift too large 3.03376260683306 - 12.1273042308087 split increased to 2 itime 524866 + acceleration/energy drift too large 3.30501705107850 + 14.9928110161307 split increased to 2 itime 505141 itsplit 1 - acceleration/energy drift too large 15.5665566425656 - 92.1298350872707 split increased to 2 itime 525065 + acceleration/energy drift too large 4.27125576287522 + 14.2188081605634 split increased to 2 itime 505944 itsplit 1 - acceleration/energy drift too large 3.80566670085703 - 22.6288017754922 split increased to 4 itime 525065 - itsplit 2 - acceleration/energy drift too large 3.21188065043649 - 24.1923887637083 split increased to 2 itime 525241 + acceleration/energy drift too large 5.49595472859528 + 19.2222438789483 split increased to 2 itime 507460 itsplit 1 - acceleration/energy drift too large 5.33488332081674 - 23.3004088071154 split increased to 2 itime 525341 + acceleration/energy drift too large 3.12532242599198 + 12.1449988629503 split increased to 2 itime 507690 itsplit 1 - acceleration/energy drift too large 7.76754853743968 - 16.6916320522963 split increased to 2 itime 525908 + acceleration/energy drift too large 4.92733101562694 + 10.3124778099357 split increased to 2 itime 508285 itsplit 1 - acceleration/energy drift too large 3.51661705443787 - 15.3784899372868 split increased to 2 itime 526521 +Velocities reset to random values, time 101999.80 + acceleration/energy drift too large 4.02486555091767 + 10.1644055036684 split increased to 2 itime 510120 itsplit 1 - acceleration/energy drift too large 2.73003779070210 - 13.3923824299512 split increased to 2 itime 526523 + acceleration/energy drift too large 5.17193091154719 + 12.5627522548015 split increased to 2 itime 510466 itsplit 1 - acceleration/energy drift too large 6.12758198296207 - 10.0770873123538 split increased to 2 itime 526549 + acceleration/energy drift too large 4.60209363035482 + 10.5438823186234 split increased to 2 itime 511253 itsplit 1 - acceleration/energy drift too large 5.83522560849220 - 17.7403573889444 split increased to 2 itime 527116 + acceleration/energy drift too large 7.23466582559582 + 23.3132656444335 split increased to 2 itime 511550 itsplit 1 - acceleration/energy drift too large 2.21808198084933 - 12.4536597915259 split increased to 2 itime 527830 + acceleration/energy drift too large 5.10512455563458 + 10.8156774918085 split increased to 2 itime 511836 itsplit 1 - acceleration/energy drift too large 3.54022489694818 - 19.2599963082361 split increased to 2 itime 527909 + acceleration/energy drift too large 5.20315759198078 + 13.2628990977266 split increased to 2 itime 511884 itsplit 1 - acceleration/energy drift too large 4.06285054297691 - 19.1489856324852 split increased to 2 itime 528239 + acceleration/energy drift too large 4.78005534976085 + 12.2442997564241 split increased to 2 itime 512167 itsplit 1 - acceleration/energy drift too large 2.85156090899884 - 10.6591170184129 split increased to 2 itime 528276 + acceleration/energy drift too large 3.12087114089560 + 10.4882915279731 split increased to 2 itime 512525 itsplit 1 - acceleration/energy drift too large 13.3122186917888 - 58.2408829202785 split increased to 2 itime 528541 + acceleration/energy drift too large 4.51201860144741 + 10.5649692285249 split increased to 2 itime 513140 itsplit 1 - acceleration/energy drift too large 7.79023291509361 - 31.1485033964163 split increased to 2 itime 529199 + acceleration/energy drift too large 3.85636644381946 + 12.7585382931350 split increased to 2 itime 513877 itsplit 1 -Velocities reset to random values, time 105999.80 - acceleration/energy drift too large 6.59343638359191 - 16.0513201315544 split increased to 2 itime 530268 + acceleration/energy drift too large 10.6468633667681 + 61.7079325561056 split increased to 2 itime 516848 itsplit 1 - acceleration/energy drift too large 8.85202539207420 - 44.5376898943888 split increased to 2 itime 530291 + acceleration/energy drift too large 5.28268213874046 + 13.7554675795918 split increased to 2 itime 517695 itsplit 1 - acceleration/energy drift too large 4.81385816112243 - 10.6340948695958 split increased to 2 itime 530811 + acceleration/energy drift too large 5.17490461815626 + 32.7840714946649 split increased to 2 itime 518692 itsplit 1 - acceleration/energy drift too large 9.06408743292701 - 25.8810638485329 split increased to 2 itime 532658 + acceleration/energy drift too large 2.97085304194491 + 17.9465820095778 split increased to 2 itime 519294 itsplit 1 - acceleration/energy drift too large 5.02182857275473 - 13.2090626658142 split increased to 2 itime 534174 +Velocities reset to random values, time 103999.80 + acceleration/energy drift too large 4.25697645576407 + 14.2760590655210 split increased to 2 itime 520032 itsplit 1 - acceleration/energy drift too large 5.25592004135374 - 14.6332175954952 split increased to 2 itime 534685 + acceleration/energy drift too large 3.11718373853585 + 20.8804370989476 split increased to 2 itime 521897 itsplit 1 - acceleration/energy drift too large 5.94402458606601 - 15.8103851457932 split increased to 2 itime 534892 + acceleration/energy drift too large 7.03554071583873 + 19.2572956692297 split increased to 2 itime 526343 itsplit 1 - acceleration/energy drift too large 6.48915610908048 - 20.0008050779865 split increased to 2 itime 536365 + acceleration/energy drift too large 3.98855798884300 + 14.6329600812598 split increased to 2 itime 526358 itsplit 1 - acceleration/energy drift too large 4.30127268318257 - 12.1895806718313 split increased to 2 itime 537042 + acceleration/energy drift too large 4.77388553625435 + 18.1903361461846 split increased to 2 itime 526367 itsplit 1 - acceleration/energy drift too large 5.48928458328062 - 36.5066510782668 split increased to 2 itime 537205 + acceleration/energy drift too large 9.28111586617292 + 49.3775812376357 split increased to 2 itime 527294 itsplit 1 - acceleration/energy drift too large 2.91571466978629 - 13.4079047611202 split increased to 2 itime 537533 + acceleration/energy drift too large 2.87531653979810 + 13.9781322089187 split increased to 2 itime 527716 itsplit 1 - acceleration/energy drift too large 5.39977600716001 - 15.2279870706319 split increased to 2 itime 537539 + acceleration/energy drift too large 6.41562401286818 + 33.0032899439757 split increased to 2 itime 527743 itsplit 1 - acceleration/energy drift too large 2.79465510892675 - 16.6651450561997 split increased to 2 itime 537798 + acceleration/energy drift too large 2.48022012401766 + 14.7666053003183 split increased to 2 itime 529678 itsplit 1 - acceleration/energy drift too large 2.79938696306419 - 21.4801998874201 split increased to 2 itime 538120 + acceleration/energy drift too large 5.76663778639655 + 12.8106074519363 split increased to 2 itime 529969 itsplit 1 - acceleration/energy drift too large 3.75652088495072 - 21.9522487755563 split increased to 2 itime 539655 +Velocities reset to random values, time 105999.80 + acceleration/energy drift too large 4.00266085765521 + 10.0697042998406 split increased to 2 itime 531668 itsplit 1 -Velocities reset to random values, time 107999.80 - acceleration/energy drift too large 4.69218036690820 - 25.9261383152055 split increased to 2 itime 540378 + acceleration/energy drift too large 6.52529049958738 + 21.4092103941072 split increased to 2 itime 532342 itsplit 1 - acceleration/energy drift too large 3.27370905349800 - 14.7554083915639 split increased to 2 itime 540379 + acceleration/energy drift too large 1.90883855156555 + 13.8819412710774 split increased to 2 itime 532931 itsplit 1 - acceleration/energy drift too large 2.87479692619505 - 10.3031639317353 split increased to 2 itime 540693 + acceleration/energy drift too large 3.91455614758431 + 12.5658384673387 split increased to 2 itime 534599 itsplit 1 - acceleration/energy drift too large 7.45087913017497 - 16.8838572606227 split increased to 2 itime 540903 + acceleration/energy drift too large 5.38134943465112 + 22.0039497134830 split increased to 2 itime 536223 itsplit 1 - acceleration/energy drift too large 9.13934273600370 - 14.5424832901503 split increased to 2 itime 541586 + acceleration/energy drift too large 5.52745634337144 + 11.7023761377822 split increased to 2 itime 537297 itsplit 1 - acceleration/energy drift too large 3.28878330811168 - 14.0668966944636 split increased to 2 itime 543429 + acceleration/energy drift too large 4.12665916358978 + 19.2836716186485 split increased to 2 itime 538136 itsplit 1 - acceleration/energy drift too large 7.10176764303912 - 24.9810693167586 split increased to 2 itime 543553 + acceleration/energy drift too large 4.88428005960397 + 24.3889276716360 split increased to 2 itime 539032 itsplit 1 - acceleration/energy drift too large 3.67518507545133 - 15.7115257943942 split increased to 2 itime 545570 + acceleration/energy drift too large 5.50667374098110 + 12.5678714741039 split increased to 2 itime 539138 itsplit 1 - acceleration/energy drift too large 1.82763923355613 - 10.6430662085738 split increased to 2 itime 547010 +Velocities reset to random values, time 107999.80 + acceleration/energy drift too large 6.26736189305329 + 41.5673100662356 split increased to 2 itime 541304 itsplit 1 - acceleration/energy drift too large 6.79709874604756 - 14.5338016910421 split increased to 2 itime 547780 + acceleration/energy drift too large 6.06631465419178 + 27.2488439753576 split increased to 2 itime 542215 itsplit 1 - acceleration/energy drift too large 8.66740940004443 - 46.2577262639354 split increased to 2 itime 548806 + acceleration/energy drift too large 7.45515899386947 + 27.4659575192654 split increased to 2 itime 543617 itsplit 1 Velocities reset to random values, time 109999.80 - acceleration/energy drift too large 6.98031515830752 - 16.3681412044044 split increased to 2 itime 550805 + acceleration/energy drift too large 7.56805665191549 + 33.3421834544186 split increased to 2 itime 551971 itsplit 1 - acceleration/energy drift too large 5.56466717964789 - 10.6893576160746 split increased to 2 itime 551560 + acceleration/energy drift too large 4.08836129839993 + 16.0557351452040 split increased to 2 itime 552295 itsplit 1 - acceleration/energy drift too large 8.66722800102975 - 34.4091533001656 split increased to 2 itime 552626 + acceleration/energy drift too large 8.90350801700557 + 36.5132637905209 split increased to 2 itime 553153 itsplit 1 - acceleration/energy drift too large 5.95206494199864 - 11.2952160044880 split increased to 2 itime 553204 + acceleration/energy drift too large 3.86394135918973 + 15.6399554219104 split increased to 2 itime 553443 itsplit 1 - acceleration/energy drift too large 2.35136563570144 - 13.2945253411659 split increased to 2 itime 554126 + acceleration/energy drift too large 2.81009149317671 + 20.0584298686373 split increased to 2 itime 555952 itsplit 1 - acceleration/energy drift too large 11.9223534725259 - 79.4676007348885 split increased to 2 itime 555534 + acceleration/energy drift too large 4.07071333644774 + 10.6782501608805 split increased to 2 itime 557849 itsplit 1 - acceleration/energy drift too large 2.67477582364081 - 16.0805512160547 split increased to 2 itime 555712 + acceleration/energy drift too large 5.75349778087074 + 15.6104485936550 split increased to 2 itime 559102 itsplit 1 - acceleration/energy drift too large 3.05331615230430 - 21.6011469271110 split increased to 2 itime 557780 + acceleration/energy drift too large 3.48997368450934 + 23.0787219451678 split increased to 2 itime 559172 itsplit 1 - acceleration/energy drift too large 1.90693733319519 - 16.6227389467311 split increased to 2 itime 557888 +Velocities reset to random values, time 111999.80 + acceleration/energy drift too large 3.73443370875608 + 10.2019630053568 split increased to 2 itime 561006 itsplit 1 - acceleration/energy drift too large 4.68712896029507 - 23.3016288899550 split increased to 2 itime 557889 + acceleration/energy drift too large 6.85889246721373 + 14.7358423105225 split increased to 2 itime 561175 itsplit 1 - acceleration/energy drift too large 5.97999828190783 - 15.6192571238231 split increased to 2 itime 558809 + acceleration/energy drift too large 4.65233842460228 + 14.9313087357713 split increased to 2 itime 561444 itsplit 1 - acceleration/energy drift too large 2.96730456950088 - 15.6387284064022 split increased to 4 itime 558809 + acceleration/energy drift too large 5.25282290961204 + 10.2232557797893 split increased to 2 itime 561497 itsplit 1 - acceleration/energy drift too large 4.59198521960932 - 13.7940417166715 split increased to 2 itime 559360 + acceleration/energy drift too large 3.40067799260836 + 18.0378507534394 split increased to 2 itime 562551 itsplit 1 -Velocities reset to random values, time 111999.80 - acceleration/energy drift too large 2.35422885529428 - 12.3844122229284 split increased to 2 itime 560597 + acceleration/energy drift too large 4.29452451950854 + 20.2960124452273 split increased to 2 itime 562716 itsplit 1 - acceleration/energy drift too large 2.07645355591264 - 12.2378076716551 split increased to 2 itime 561389 + acceleration/energy drift too large 4.44556304743286 + 11.6335791630833 split increased to 2 itime 563208 itsplit 1 - acceleration/energy drift too large 2.05634760347692 - 15.0578788967549 split increased to 2 itime 561773 + acceleration/energy drift too large 4.43422299380342 + 16.5050588723654 split increased to 2 itime 564990 itsplit 1 - acceleration/energy drift too large 1.42048036885650 - 13.9729052444533 split increased to 2 itime 561774 + acceleration/energy drift too large 5.93961796160273 + 20.8292363541741 split increased to 2 itime 566174 itsplit 1 - acceleration/energy drift too large 8.48943980437466 - 32.9077199343050 split increased to 2 itime 562016 + acceleration/energy drift too large 5.61109467830912 + 12.1173556273488 split increased to 2 itime 566184 itsplit 1 - acceleration/energy drift too large 5.30527770550581 - 17.7444499326357 split increased to 2 itime 562083 + acceleration/energy drift too large 3.18605728174925 + 12.5227633325845 split increased to 2 itime 566335 itsplit 1 - acceleration/energy drift too large 2.88916388335188 - 17.6869812212281 split increased to 2 itime 562216 + acceleration/energy drift too large 6.74141132760484 + 13.0647938758710 split increased to 2 itime 569358 itsplit 1 - acceleration/energy drift too large 3.59941094123962 - 16.1052811475477 split increased to 2 itime 562866 + acceleration/energy drift too large 3.17927202531743 + 18.6224983447441 split increased to 4 itime 569358 itsplit 1 - acceleration/energy drift too large 2.39924592935212 - 13.1506650427648 split increased to 2 itime 563401 +Velocities reset to random values, time 113999.80 + acceleration/energy drift too large 13.2550980864704 + 82.1390830457506 split increased to 2 itime 572619 itsplit 1 - acceleration/energy drift too large 4.58747319947896 - 10.8645422531091 split increased to 2 itime 567695 + acceleration/energy drift too large 7.02166513732237 + 24.7431943337560 split increased to 2 itime 575611 itsplit 1 - acceleration/energy drift too large 5.17856857583628 - 15.5385825169482 split increased to 2 itime 567770 + acceleration/energy drift too large 5.09736730645375 + 11.6600890248677 split increased to 2 itime 577476 itsplit 1 - acceleration/energy drift too large 2.62603418418936 - 13.2701379553715 split increased to 2 itime 569146 + acceleration/energy drift too large 1.59334960145375 + 15.8994441472690 split increased to 2 itime 578029 itsplit 1 - acceleration/energy drift too large 5.76454091570550 - 17.5633387139892 split increased to 2 itime 569961 + acceleration/energy drift too large 7.33206749686078 + 17.8485618620143 split increased to 2 itime 579439 itsplit 1 -Velocities reset to random values, time 113999.80 - acceleration/energy drift too large 3.12444653347003 - 23.0348432841966 split increased to 2 itime 570383 +Velocities reset to random values, time 115999.80 + acceleration/energy drift too large 5.88858145054191 + 10.5428681155506 split increased to 2 itime 581049 itsplit 1 - acceleration/energy drift too large 5.57240800016863 - 14.3438953539638 split increased to 2 itime 571543 + acceleration/energy drift too large 8.05235907274557 + 38.7580811097186 split increased to 2 itime 581236 itsplit 1 - acceleration/energy drift too large 6.07292006609762 - 11.0777211419461 split increased to 2 itime 573381 + acceleration/energy drift too large 7.12596154192948 + 19.7341132838073 split increased to 2 itime 581412 itsplit 1 - acceleration/energy drift too large 2.28093411665101 - 10.4660672106310 split increased to 2 itime 574212 + acceleration/energy drift too large 7.11481376975739 + 22.8848981441934 split increased to 2 itime 583868 itsplit 1 - acceleration/energy drift too large 6.53241140843577 - 19.1558542404852 split increased to 2 itime 576438 + acceleration/energy drift too large 7.18723132225655 + 20.7111995529729 split increased to 2 itime 585774 itsplit 1 - acceleration/energy drift too large 5.68789008951812 - 14.0658460157882 split increased to 2 itime 577705 + acceleration/energy drift too large 9.28836993791469 + 41.5232765941437 split increased to 2 itime 586175 itsplit 1 - acceleration/energy drift too large 8.20097815367452 - 36.8902960307492 split increased to 2 itime 578473 + acceleration/energy drift too large 5.16281298447282 + 12.1748824095806 split increased to 2 itime 586932 itsplit 1 - acceleration/energy drift too large 1.51425958160191 - 13.1804138702093 split increased to 2 itime 578545 + acceleration/energy drift too large 6.18998310255038 + 16.5559530114100 split increased to 2 itime 587143 itsplit 1 - acceleration/energy drift too large 5.37370806534808 - 14.3785070914200 split increased to 2 itime 579708 + acceleration/energy drift too large 5.05174052581004 + 10.7293376753050 split increased to 2 itime 588142 itsplit 1 -Velocities reset to random values, time 115999.80 - acceleration/energy drift too large 6.96646248262088 - 12.8563205428295 split increased to 2 itime 580371 + acceleration/energy drift too large 5.14888007035509 + 23.5403130998774 split increased to 2 itime 589494 itsplit 1 - acceleration/energy drift too large 8.54330576346264 - 32.4804116759017 split increased to 2 itime 580466 + acceleration/energy drift too large 6.99016470526621 + 26.0193482011312 split increased to 2 itime 589626 itsplit 1 - acceleration/energy drift too large 2.69589584217436 - 15.2144147449625 split increased to 2 itime 584088 +Velocities reset to random values, time 117999.80 + acceleration/energy drift too large 6.89685190100605 + 33.3905188034018 split increased to 2 itime 590155 itsplit 1 - acceleration/energy drift too large 2.30350853608901 - 12.3126092757199 split increased to 2 itime 584625 + acceleration/energy drift too large 3.26993516546691 + 21.7731451557345 split increased to 2 itime 590291 itsplit 1 - acceleration/energy drift too large 4.01504169354178 - 12.2130902509090 split increased to 2 itime 588313 + acceleration/energy drift too large 3.37680892151916 + 24.6228127451975 split increased to 2 itime 590409 itsplit 1 - acceleration/energy drift too large 4.38807970078082 - 20.6770918114537 split increased to 2 itime 589944 + acceleration/energy drift too large 4.53976404422536 + 12.5058223510017 split increased to 2 itime 591157 itsplit 1 -Velocities reset to random values, time 117999.80 - acceleration/energy drift too large 6.71897035978137 - 28.4205738302086 split increased to 2 itime 592709 + acceleration/energy drift too large 6.82018175048431 + 15.4746575445569 split increased to 2 itime 592808 itsplit 1 - acceleration/energy drift too large 1.49105938446176 - 13.6849763065613 split increased to 2 itime 593951 + acceleration/energy drift too large 10.2275750784186 + 49.6022275086000 split increased to 2 itime 593205 itsplit 1 - acceleration/energy drift too large 4.87540020038454 - 10.5344347514523 split increased to 2 itime 595391 + acceleration/energy drift too large 5.47434376447913 + 14.5557701820272 split increased to 2 itime 594555 itsplit 1 - acceleration/energy drift too large 6.37401459263186 - 16.5042090427831 split increased to 2 itime 595734 + acceleration/energy drift too large 8.72736617698358 + 53.8128565844652 split increased to 2 itime 594843 itsplit 1 - acceleration/energy drift too large 14.1035717005955 - 75.1750417367117 split increased to 2 itime 596405 + acceleration/energy drift too large 1.94050063926102 + 11.5882180579845 split increased to 4 itime 594843 + itsplit 2 + acceleration/energy drift too large 3.86479843971020 + 10.0468444335252 split increased to 2 itime 597973 + itsplit 1 + acceleration/energy drift too large 6.23525554765170 + 12.1069424059439 split increased to 2 itime 598882 itsplit 1 - acceleration/energy drift too large 2.89892918912561 - 13.0401003630253 split increased to 4 itime 596405 + acceleration/energy drift too large 3.64242107523450 + 13.7592737126432 split increased to 2 itime 598980 itsplit 1 - acceleration/energy drift too large 4.84936774104886 - 12.7318493527923 split increased to 2 itime 597704 + acceleration/energy drift too large 6.98008674048710 + 13.9804660451051 split increased to 2 itime 599378 itsplit 1 - acceleration/energy drift too large 8.60165584802023 - 29.0098303557514 split increased to 2 itime 598337 + acceleration/energy drift too large 2.31138270374148 + 10.7579429714139 split increased to 2 itime 599567 itsplit 1 - acceleration/energy drift too large 9.63496183633879 - 53.3706950189951 split increased to 2 itime 599676 + acceleration/energy drift too large 2.70348674324109 + 12.1125663928009 split increased to 2 itime 599568 itsplit 1 Velocities reset to random values, time 119999.80 REMD synchro at 600000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 249.179687500000 0.000000000000000E+000 + REMD gather times= 214.503906250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 0.000000000000000E+000 NREP 16 ACC 1 250.00000 0.50000 6 -ACC 2 260.00000 0.33333 6 +ACC 2 260.00000 0.50000 6 ACC 3 270.00000 0.50000 6 -ACC 4 280.00000 0.33333 6 -ACC 5 290.00000 0.33333 6 -ACC 6 300.00000 0.50000 6 -ACC 7 310.00000 0.66667 6 -ACC 8 320.00000 0.83333 6 -ACC 9 330.00000 0.16667 6 -ACC 10 340.00000 0.83333 6 -ACC 11 350.00000 0.83333 6 -ACC 12 360.00000 1.00000 6 -ACC 13 370.00000 0.83333 6 -ACC 14 380.00000 0.83333 6 -ACC 15 390.00000 1.00000 6 +ACC 4 280.00000 0.83333 6 +ACC 5 290.00000 0.50000 6 +ACC 6 300.00000 0.16667 6 +ACC 7 310.00000 0.83333 6 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 6.41276825986567 - 26.4277149156826 split increased to 2 itime 600320 + acceleration/energy drift too large 1.77872449938108 + 12.4074712572749 split increased to 2 itime 600695 itsplit 1 - acceleration/energy drift too large 10.6976883010763 - 48.1606203208920 split increased to 2 itime 600549 + acceleration/energy drift too large 5.88264006633262 + 24.0154657363688 split increased to 2 itime 603602 itsplit 1 - acceleration/energy drift too large 10.8196055611741 - 56.1981159295086 split increased to 2 itime 603701 + acceleration/energy drift too large 3.58962993382072 + 27.3757533986038 split increased to 2 itime 607677 itsplit 1 - acceleration/energy drift too large 2.47053510387990 - 12.7641193818717 split increased to 4 itime 603701 - itsplit 2 - acceleration/energy drift too large 2.62581509429762 - 14.1146687101652 split increased to 2 itime 606711 +Velocities reset to random values, time 121999.80 + acceleration/energy drift too large 4.78053573858882 + 15.6385980381927 split increased to 2 itime 610370 itsplit 1 - acceleration/energy drift too large 5.94218665276763 - 15.5938481698655 split increased to 2 itime 606928 + acceleration/energy drift too large 8.17216444671970 + 18.5571352153736 split increased to 2 itime 610888 itsplit 1 - acceleration/energy drift too large 7.58908302344115 - 17.1372827036672 split increased to 2 itime 607182 + acceleration/energy drift too large 3.02458494696023 + 21.0678689263434 split increased to 2 itime 610933 itsplit 1 - acceleration/energy drift too large 4.15460812778985 - 10.4130263845320 split increased to 2 itime 607213 + acceleration/energy drift too large 4.89126204892329 + 11.0822267710705 split increased to 2 itime 615132 itsplit 1 - acceleration/energy drift too large 4.84809355797531 - 16.9150687006580 split increased to 2 itime 607587 + acceleration/energy drift too large 7.88600842148707 + 41.4264843405944 split increased to 2 itime 615637 itsplit 1 -Velocities reset to random values, time 121999.80 - acceleration/energy drift too large 2.44061536562066 - 11.9723875473272 split increased to 2 itime 610202 - itsplit 1 - acceleration/energy drift too large 2.57954359429579 - 17.5213648292393 split increased to 2 itime 610786 + acceleration/energy drift too large 2.32685917333491 + 11.6345729316180 split increased to 4 itime 615637 + itsplit 2 + acceleration/energy drift too large 3.79610797363990 + 11.7985231761999 split increased to 2 itime 616153 itsplit 1 - acceleration/energy drift too large 8.38530834060213 - 29.9543411984409 split increased to 2 itime 611185 + acceleration/energy drift too large 9.53105383072803 + 38.9926056921474 split increased to 2 itime 617630 itsplit 1 - acceleration/energy drift too large 10.0919946306030 - 43.4888860857781 split increased to 2 itime 619815 + acceleration/energy drift too large 10.0800412776949 + 43.8888060529705 split increased to 2 itime 619781 itsplit 1 Velocities reset to random values, time 123999.80 - acceleration/energy drift too large 6.18684650279322 - 15.9608751784289 split increased to 2 itime 621503 + acceleration/energy drift too large 2.06683485687040 + 11.1306074696389 split increased to 2 itime 623099 + itsplit 1 + acceleration/energy drift too large 6.78374339043441 + 11.4735505111829 split increased to 2 itime 623318 + itsplit 1 + acceleration/energy drift too large 2.66952133330569 + 16.7455693307388 split increased to 2 itime 623669 itsplit 1 - acceleration/energy drift too large 5.75769098249470 - 10.0874691808690 split increased to 2 itime 622543 + acceleration/energy drift too large 4.99402504423781 + 13.4981957334313 split increased to 2 itime 627485 itsplit 1 - acceleration/energy drift too large 2.66221614418340 - 14.7231648874483 split increased to 2 itime 622641 + acceleration/energy drift too large 4.00483142537483 + 12.8763698778062 split increased to 2 itime 627891 itsplit 1 - acceleration/energy drift too large 4.96613819252275 - 13.8013680922376 split increased to 2 itime 628928 + acceleration/energy drift too large 3.41970343605932 + 19.0808135246891 split increased to 2 itime 628389 itsplit 1 - acceleration/energy drift too large 3.83242761843283 - 10.8665466335966 split increased to 2 itime 629902 + acceleration/energy drift too large 8.43670870268743 + 22.9626740420243 split increased to 2 itime 629260 + itsplit 1 + acceleration/energy drift too large 6.73002663531179 + 18.8484906626213 split increased to 2 itime 629315 itsplit 1 Velocities reset to random values, time 125999.80 - acceleration/energy drift too large 2.72691050792927 - 11.0984258664679 split increased to 2 itime 630973 + acceleration/energy drift too large 6.06942960228455 + 17.6382085207961 split increased to 2 itime 630702 + itsplit 1 + acceleration/energy drift too large 3.20151637609958 + 10.3669121959245 split increased to 2 itime 630733 + itsplit 1 + acceleration/energy drift too large 4.90307597081948 + 18.3289101962260 split increased to 2 itime 630735 + itsplit 1 + acceleration/energy drift too large 2.34878757026214 + 11.3967422946692 split increased to 2 itime 634230 + itsplit 1 + acceleration/energy drift too large 7.92272362812657 + 29.6676944772035 split increased to 2 itime 635786 itsplit 1 - acceleration/energy drift too large 4.97156017872708 - 10.2480597569472 split increased to 2 itime 634308 + acceleration/energy drift too large 6.05807391008262 + 17.2322703067828 split increased to 2 itime 637043 itsplit 1 - acceleration/energy drift too large 4.03284780170917 - 10.1000116361740 split increased to 2 itime 638393 + acceleration/energy drift too large 6.73482418523891 + 32.2825943492874 split increased to 2 itime 637843 itsplit 1 - acceleration/energy drift too large 4.89500499984303 - 11.9759679367495 split increased to 2 itime 639196 + acceleration/energy drift too large 2.21519730418305 + 13.7227954170196 split increased to 2 itime 639307 itsplit 1 Velocities reset to random values, time 127999.80 - acceleration/energy drift too large 3.06989545426596 - 10.4965501986433 split increased to 2 itime 640824 + acceleration/energy drift too large 4.75791164787478 + 16.7646782600610 split increased to 2 itime 641315 itsplit 1 - acceleration/energy drift too large 3.17295956605742 - 18.4466342827992 split increased to 2 itime 641621 + acceleration/energy drift too large 3.95626908616688 + 11.5327602186747 split increased to 2 itime 642275 itsplit 1 - acceleration/energy drift too large 5.06746929650148 - 15.7128075882309 split increased to 2 itime 642969 + acceleration/energy drift too large 5.91305147667457 + 13.6971789331280 split increased to 2 itime 642368 itsplit 1 - acceleration/energy drift too large 2.18317934469786 - 14.6312354513596 split increased to 2 itime 643206 + acceleration/energy drift too large 5.13234276888079 + 18.0631497477260 split increased to 2 itime 642796 itsplit 1 - acceleration/energy drift too large 4.37995501256237 - 24.2084004236204 split increased to 2 itime 644581 + acceleration/energy drift too large 5.66702598585662 + 18.4785500465566 split increased to 2 itime 643066 itsplit 1 - acceleration/energy drift too large 3.44001208407200 - 25.3830960573422 split increased to 2 itime 648060 + acceleration/energy drift too large 2.17312690963991 + 10.7260396229272 split increased to 2 itime 643761 itsplit 1 - acceleration/energy drift too large 7.16657364223353 - 27.6746915333814 split increased to 2 itime 648427 + acceleration/energy drift too large 4.60735553635725 + 13.2235244542801 split increased to 2 itime 644134 itsplit 1 - acceleration/energy drift too large 5.84896942754945 - 25.2359015418186 split increased to 2 itime 648495 + acceleration/energy drift too large 4.46912306264459 + 12.5537841959807 split increased to 2 itime 647110 + itsplit 1 + acceleration/energy drift too large 4.31910983586121 + 13.4763576495311 split increased to 2 itime 647423 + itsplit 1 + acceleration/energy drift too large 6.15080981623952 + 12.3734910616574 split increased to 2 itime 649593 + itsplit 1 + acceleration/energy drift too large 8.47510626128469 + 15.7347604355732 split increased to 2 itime 649872 itsplit 1 Velocities reset to random values, time 129999.80 - acceleration/energy drift too large 3.78643276963843 - 10.2963640236438 split increased to 2 itime 652879 + acceleration/energy drift too large 7.37874587405585 + 19.8100459966226 split increased to 2 itime 650788 itsplit 1 - acceleration/energy drift too large 5.64049113636900 - 11.1603554186969 split increased to 2 itime 654040 + acceleration/energy drift too large 6.87302002028736 + 12.6162486455940 split increased to 2 itime 651821 itsplit 1 - acceleration/energy drift too large 5.57056954492371 - 18.6329322859279 split increased to 2 itime 654109 + acceleration/energy drift too large 9.33549496953655 + 41.6242428328701 split increased to 2 itime 653711 itsplit 1 - acceleration/energy drift too large 5.35294542117865 - 17.6212195519249 split increased to 2 itime 654569 + acceleration/energy drift too large 2.59208333544832 + 12.1413471360919 split increased to 4 itime 653711 itsplit 1 - acceleration/energy drift too large 7.73546474668400 - 38.0023103411554 split increased to 2 itime 656639 + acceleration/energy drift too large 4.26218558511195 + 11.4332171394728 split increased to 2 itime 656547 itsplit 1 - acceleration/energy drift too large 5.56535716970280 - 18.8421516008909 split increased to 2 itime 656650 + acceleration/energy drift too large 12.1784176633852 + 66.8018381797311 split increased to 2 itime 657494 itsplit 1 - acceleration/energy drift too large 8.27897556634581 - 28.9498553585017 split increased to 2 itime 659113 + acceleration/energy drift too large 3.02450301806804 + 16.5688272440621 split increased to 4 itime 657494 + itsplit 2 + acceleration/energy drift too large 4.78609451007503 + 24.3549324795919 split increased to 2 itime 657955 itsplit 1 - acceleration/energy drift too large 7.00380638501306 - 13.8385729146048 split increased to 2 itime 659114 + acceleration/energy drift too large 2.24852693223516 + 12.8599563208415 split increased to 2 itime 658204 + itsplit 1 + acceleration/energy drift too large 5.04555179752892 + 21.5232797057494 split increased to 2 itime 658972 + itsplit 1 + acceleration/energy drift too large 5.28370556622501 + 19.4610384518756 split increased to 2 itime 659044 + itsplit 1 + acceleration/energy drift too large 3.83120712320267 + 11.0106971552591 split increased to 2 itime 659865 itsplit 1 Velocities reset to random values, time 131999.80 - acceleration/energy drift too large 9.04740683117041 - 37.3340509655439 split increased to 2 itime 662205 + acceleration/energy drift too large 4.50608191118794 + 13.2702631021495 split increased to 2 itime 660612 + itsplit 1 + acceleration/energy drift too large 3.78467051913421 + 13.0475094161357 split increased to 2 itime 661570 + itsplit 1 + acceleration/energy drift too large 9.07175173262545 + 31.9959670190331 split increased to 2 itime 662188 itsplit 1 - acceleration/energy drift too large 2.28466638719765 - 10.9504007097213 split increased to 2 itime 663404 + acceleration/energy drift too large 5.36082918320779 + 12.4630100461443 split increased to 2 itime 663507 itsplit 1 - acceleration/energy drift too large 3.49268168947069 - 22.4337466261792 split increased to 2 itime 669065 + acceleration/energy drift too large 4.99639757953075 + 15.9066355649835 split increased to 2 itime 664749 itsplit 1 - acceleration/energy drift too large 4.74677145548803 - 10.0206669110923 split increased to 2 itime 669107 + acceleration/energy drift too large 2.39213997817477 + 18.1637785135747 split increased to 2 itime 668643 + itsplit 1 + acceleration/energy drift too large 6.47475213155957 + 21.2130538748616 split increased to 2 itime 668848 itsplit 1 Velocities reset to random values, time 133999.80 - acceleration/energy drift too large 8.63670211951346 - 31.6414303188186 split increased to 2 itime 670188 + acceleration/energy drift too large 6.43757618167361 + 12.0059434634429 split increased to 2 itime 671951 itsplit 1 - acceleration/energy drift too large 3.06371394467724 - 13.1372365211317 split increased to 2 itime 673766 + acceleration/energy drift too large 2.08484455615955 + 11.2213110560434 split increased to 2 itime 673738 itsplit 1 - acceleration/energy drift too large 2.23576210479992 - 13.9040788015118 split increased to 2 itime 675621 + acceleration/energy drift too large 5.72607749941730 + 37.7145234283330 split increased to 2 itime 678251 itsplit 1 - acceleration/energy drift too large 2.99087055932100 - 26.2529026820693 split increased to 2 itime 679290 + acceleration/energy drift too large 6.40262729575667 + 25.7191334185357 split increased to 2 itime 679585 itsplit 1 Velocities reset to random values, time 135999.80 - acceleration/energy drift too large 4.09557984425410 - 13.9330473295296 split increased to 2 itime 681179 + acceleration/energy drift too large 13.4028575204491 + 80.5140346375108 split increased to 2 itime 680555 itsplit 1 - acceleration/energy drift too large 1.91622118208430 - 11.1703559507126 split increased to 2 itime 681446 + acceleration/energy drift too large 5.29533863701241 + 18.4693222302732 split increased to 2 itime 681889 itsplit 1 - acceleration/energy drift too large 4.57705061173539 - 14.3664376808430 split increased to 2 itime 683924 + acceleration/energy drift too large 1.62890981550056 + 15.9709216457443 split increased to 2 itime 682284 itsplit 1 - acceleration/energy drift too large 1.97249654562396 - 11.7923083838066 split increased to 2 itime 684384 + acceleration/energy drift too large 6.48378842694110 + 18.1414213363773 split increased to 2 itime 683711 itsplit 1 - acceleration/energy drift too large 8.12680825839594 - 28.9666812627199 split increased to 2 itime 686146 + acceleration/energy drift too large 2.80883760847397 + 11.5542257950960 split increased to 2 itime 683904 itsplit 1 - acceleration/energy drift too large 2.55427706453296 - 12.6494709608410 split increased to 2 itime 687873 + acceleration/energy drift too large 2.86887988513499 + 15.7334171694202 split increased to 2 itime 685027 itsplit 1 -Velocities reset to random values, time 137999.80 - acceleration/energy drift too large 6.94426503016089 - 15.8636716111209 split increased to 2 itime 694392 + acceleration/energy drift too large 5.24034324355919 + 19.3308059467827 split increased to 2 itime 686490 + itsplit 1 + acceleration/energy drift too large 7.54715143270644 + 22.0945207786007 split increased to 2 itime 687295 + itsplit 1 + acceleration/energy drift too large 6.76224455777162 + 30.9424397639613 split increased to 2 itime 688058 itsplit 1 - acceleration/energy drift too large 1.96500965362388 - 10.0876678873697 split increased to 2 itime 694453 + acceleration/energy drift too large 5.84240204955811 + 16.2279250280224 split increased to 2 itime 689146 itsplit 1 - acceleration/energy drift too large 6.23971174452310 - 25.9235606230153 split increased to 2 itime 695525 + acceleration/energy drift too large 5.57982284762158 + 14.9515643445569 split increased to 2 itime 689166 itsplit 1 - acceleration/energy drift too large 3.08163056884440 - 10.4342316046758 split increased to 2 itime 695538 +Velocities reset to random values, time 137999.80 + acceleration/energy drift too large 5.79240883356486 + 22.9082874457296 split increased to 2 itime 690261 + itsplit 1 + acceleration/energy drift too large 3.65368907968053 + 10.1354307155059 split increased to 2 itime 694937 itsplit 1 - acceleration/energy drift too large 2.85200186719036 - 18.5322970868536 split increased to 2 itime 696398 + acceleration/energy drift too large 9.57109038854307 + 42.2958073417374 split increased to 2 itime 695563 itsplit 1 - acceleration/energy drift too large 4.24654882251796 - 11.4185391289499 split increased to 2 itime 696636 + acceleration/energy drift too large 5.54423707218960 + 15.0740432856712 split increased to 2 itime 695995 itsplit 1 - acceleration/energy drift too large 4.73215626921589 - 10.2289063105993 split increased to 2 itime 697462 + acceleration/energy drift too large 1.95236451164645 + 10.7120471320801 split increased to 2 itime 696147 itsplit 1 - acceleration/energy drift too large 1.78165399756171 - 13.6183408477237 split increased to 2 itime 697687 + acceleration/energy drift too large 2.85995344495863 + 14.0226812455308 split increased to 2 itime 696211 itsplit 1 - acceleration/energy drift too large 4.28691596829781 - 13.3737144603561 split increased to 2 itime 699027 + acceleration/energy drift too large 6.36831125441389 + 24.1401286131266 split increased to 2 itime 698676 itsplit 1 Velocities reset to random values, time 139999.80 REMD synchro at 700000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 290.355468750000 0.000000000000000E+000 + REMD gather times= 249.984375000000 0.000000000000000E+000 REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.42857 7 -ACC 2 260.00000 0.28571 7 -ACC 3 270.00000 0.42857 7 -ACC 4 280.00000 0.28571 7 +ACC 1 250.00000 0.57143 7 +ACC 2 260.00000 0.42857 7 +ACC 3 270.00000 0.57143 7 +ACC 4 280.00000 0.85714 7 ACC 5 290.00000 0.42857 7 -ACC 6 300.00000 0.57143 7 +ACC 6 300.00000 0.28571 7 ACC 7 310.00000 0.71429 7 -ACC 8 320.00000 0.71429 7 -ACC 9 330.00000 0.14286 7 -ACC 10 340.00000 0.85714 7 -ACC 11 350.00000 0.85714 7 -ACC 12 360.00000 1.00000 7 -ACC 13 370.00000 0.85714 7 -ACC 14 380.00000 0.71429 7 -ACC 15 390.00000 1.00000 7 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 3.93472960083245 - 11.2063367947762 split increased to 2 itime 700377 + REMD exchange time= 0.000000000000000E+000 + acceleration/energy drift too large 5.93046557857084 + 16.3488706656561 split increased to 2 itime 701195 itsplit 1 - acceleration/energy drift too large 4.34428093560174 - 11.5481687411087 split increased to 2 itime 701134 + acceleration/energy drift too large 3.50228415343861 + 12.2000170250801 split increased to 2 itime 701599 itsplit 1 - acceleration/energy drift too large 5.82641569686656 - 17.5363966801220 split increased to 2 itime 701580 + acceleration/energy drift too large 4.44789216261540 + 14.5099923312658 split increased to 2 itime 701866 itsplit 1 - acceleration/energy drift too large 4.74069265554034 - 12.5834635520145 split increased to 2 itime 702405 + acceleration/energy drift too large 4.91055640990175 + 11.7132368545146 split increased to 2 itime 703068 itsplit 1 - acceleration/energy drift too large 7.48848976579949 - 17.8288178141337 split increased to 2 itime 703489 + acceleration/energy drift too large 3.11103569262104 + 22.7165834144515 split increased to 2 itime 705470 itsplit 1 - acceleration/energy drift too large 2.73600511314082 - 12.6577490393069 split increased to 2 itime 705695 + acceleration/energy drift too large 4.93839845358181 + 12.0395323817780 split increased to 2 itime 705976 itsplit 1 - acceleration/energy drift too large 3.65119124475916 - 28.8921547736879 split increased to 2 itime 705807 + acceleration/energy drift too large 1.57721662347655 + 10.1545836049306 split increased to 2 itime 705977 itsplit 1 - acceleration/energy drift too large 4.98157476772346 - 23.0666844208626 split increased to 2 itime 706670 + acceleration/energy drift too large 6.46586444120768 + 17.7781290280736 split increased to 2 itime 706320 itsplit 1 - acceleration/energy drift too large 2.90355209805173 - 19.9868379888575 split increased to 2 itime 709441 + acceleration/energy drift too large 7.34894580941251 + 12.6660014519554 split increased to 2 itime 706452 itsplit 1 - acceleration/energy drift too large 6.34791227156518 - 13.6682906605570 split increased to 2 itime 709710 + acceleration/energy drift too large 5.36894291194152 + 14.6923322488453 split increased to 2 itime 706542 itsplit 1 - acceleration/energy drift too large 8.50503282573082 - 14.4688770915652 split increased to 2 itime 709952 - itsplit 1 - acceleration/energy drift too large 7.05888230745372 - 15.5270078331849 split increased to 2 itime 709983 - itsplit 1 - acceleration/energy drift too large 4.33375557263005 - 11.6208763934395 split increased to 2 itime 709985 - itsplit 1 - acceleration/energy drift too large 8.77636154693241 - 16.6451507405149 split increased to 2 itime 709995 + acceleration/energy drift too large 11.5020201779919 + 53.9345839409072 split increased to 2 itime 706636 itsplit 1 Velocities reset to random values, time 141999.80 - acceleration/energy drift too large 5.29487453182966 - 15.2837475649310 split increased to 2 itime 711927 + acceleration/energy drift too large 2.83749699541512 + 10.3434991784070 split increased to 2 itime 710296 + itsplit 1 + acceleration/energy drift too large 4.40216800100225 + 13.8248237713886 split increased to 2 itime 710571 itsplit 1 - acceleration/energy drift too large 1.61408951237361 - 11.8179425920718 split increased to 2 itime 713638 + acceleration/energy drift too large 11.2796727547930 + 50.3063498934622 split increased to 2 itime 714074 itsplit 1 - acceleration/energy drift too large 6.53144087097745 - 18.2881450731301 split increased to 2 itime 715625 + acceleration/energy drift too large 2.64222690743023 + 11.3557114830580 split increased to 4 itime 714074 + itsplit 2 + acceleration/energy drift too large 9.06933096115893 + 37.1396934478744 split increased to 2 itime 714238 itsplit 1 - acceleration/energy drift too large 4.98297102709200 - 12.3967526538540 split increased to 2 itime 715885 + acceleration/energy drift too large 12.5417898911728 + 79.8295069540954 split increased to 2 itime 716120 itsplit 1 - acceleration/energy drift too large 6.61458692229760 - 25.0642180809315 split increased to 2 itime 717707 + acceleration/energy drift too large 7.42895763687695 + 20.9106037784401 split increased to 2 itime 718995 itsplit 1 - acceleration/energy drift too large 7.88661909821306 - 18.9512365014740 split increased to 2 itime 719072 + acceleration/energy drift too large 4.62996709129260 + 13.2403727277877 split increased to 2 itime 719117 itsplit 1 - acceleration/energy drift too large 2.96965421226421 - 11.6573800263961 split increased to 2 itime 719847 + acceleration/energy drift too large 6.88408541110256 + 26.4196183863944 split increased to 2 itime 719357 itsplit 1 Velocities reset to random values, time 143999.80 - acceleration/energy drift too large 5.32646839703920 - 13.5606256341661 split increased to 2 itime 721620 - itsplit 1 - acceleration/energy drift too large 6.29605706141192 - 19.3975354963952 split increased to 2 itime 725117 + acceleration/energy drift too large 7.79663987450929 + 15.8614919998636 split increased to 2 itime 720948 itsplit 1 - acceleration/energy drift too large 6.87534575421433 - 14.2132924198026 split increased to 2 itime 725199 + acceleration/energy drift too large 5.46634544860701 + 17.6569277587810 split increased to 2 itime 722021 itsplit 1 - acceleration/energy drift too large 7.93503479211159 - 10.1457532084715 split increased to 2 itime 726782 + acceleration/energy drift too large 2.96765526152086 + 17.2559643691889 split increased to 2 itime 723101 itsplit 1 - acceleration/energy drift too large 5.73106854706756 - 11.9473961093287 split increased to 2 itime 727155 + acceleration/energy drift too large 6.91025846743838 + 24.6615251936640 split increased to 2 itime 723503 itsplit 1 - acceleration/energy drift too large 5.86881620959184 - 16.2956370169348 split increased to 2 itime 727783 + acceleration/energy drift too large 5.82248602990239 + 15.9572486017575 split increased to 2 itime 726344 itsplit 1 Velocities reset to random values, time 145999.80 - acceleration/energy drift too large 5.68155995086396 - 12.8716171152305 split increased to 2 itime 733764 + acceleration/energy drift too large 5.60281773307065 + 11.6053841486984 split increased to 2 itime 732145 itsplit 1 - acceleration/energy drift too large 5.89637655810470 - 22.4585358032075 split increased to 2 itime 734317 + acceleration/energy drift too large 7.98335131094130 + 41.8976646011784 split increased to 2 itime 732679 itsplit 1 - acceleration/energy drift too large 4.38946697000217 - 13.2992698589204 split increased to 2 itime 735481 + acceleration/energy drift too large 8.08372147779232 + 24.4266913073025 split increased to 2 itime 733171 itsplit 1 - acceleration/energy drift too large 2.54784871949555 - 17.4560434088089 split increased to 2 itime 735610 + acceleration/energy drift too large 7.49109943717629 + 24.0926497795650 split increased to 2 itime 736182 itsplit 1 - acceleration/energy drift too large 7.75177241787974 - 25.5505449219941 split increased to 2 itime 735611 + acceleration/energy drift too large 2.32064356333335 + 14.8150740793836 split increased to 2 itime 736183 itsplit 1 -Velocities reset to random values, time 147999.80 - acceleration/energy drift too large 7.72491739431766 - 35.0724632154724 split increased to 2 itime 740185 + acceleration/energy drift too large 4.49997484570044 + 10.3979695338111 split increased to 2 itime 736348 itsplit 1 - acceleration/energy drift too large 2.77675944803162 - 17.4632744496337 split increased to 2 itime 743430 + acceleration/energy drift too large 3.62623216895727 + 27.8715915625501 split increased to 2 itime 736481 itsplit 1 - acceleration/energy drift too large 2.71439396112492 - 12.0497533900353 split increased to 2 itime 743461 + acceleration/energy drift too large 6.80986751447928 + 23.8303442332054 split increased to 2 itime 736740 itsplit 1 - acceleration/energy drift too large 4.33665903249174 - 10.0862823369909 split increased to 2 itime 743482 + acceleration/energy drift too large 4.12820614194935 + 12.8362039200978 split increased to 2 itime 737227 itsplit 1 - acceleration/energy drift too large 2.18579483653158 - 18.0426516663185 split increased to 2 itime 744188 + acceleration/energy drift too large 5.48776665622207 + 27.6090497566700 split increased to 2 itime 738655 itsplit 1 - acceleration/energy drift too large 8.43338489883138 - 48.6453076961397 split increased to 2 itime 744649 + acceleration/energy drift too large 7.10004362034608 + 33.0982203426756 split increased to 2 itime 739757 itsplit 1 - acceleration/energy drift too large 6.60414762543752 - 18.8221701651620 split increased to 2 itime 744960 +Velocities reset to random values, time 147999.80 + acceleration/energy drift too large 2.22834573912179 + 15.3278299811857 split increased to 2 itime 741497 itsplit 1 - acceleration/energy drift too large 6.82388857970415 - 16.7034708258202 split increased to 2 itime 747389 + acceleration/energy drift too large 7.08435491493409 + 11.4498642303261 split increased to 2 itime 743383 itsplit 1 - acceleration/energy drift too large 4.24577791377603 - 11.7151816091767 split increased to 2 itime 748125 + acceleration/energy drift too large 7.37342604084222 + 21.8994225640830 split increased to 2 itime 745235 itsplit 1 -Velocities reset to random values, time 149999.80 - acceleration/energy drift too large 14.2580341642123 - 68.0425850143622 split increased to 2 itime 750036 + acceleration/energy drift too large 7.88187630828904 + 20.9697038741962 split increased to 2 itime 747472 itsplit 1 - acceleration/energy drift too large 1.37734718709133 - 12.3715433735723 split increased to 2 itime 750098 + acceleration/energy drift too large 4.99924407470474 + 16.8009268890310 split increased to 2 itime 747618 itsplit 1 - acceleration/energy drift too large 2.14819944339201 - 19.0503035730486 split increased to 2 itime 751906 + acceleration/energy drift too large 7.19731074318911 + 30.3208788285892 split increased to 2 itime 748217 itsplit 1 - acceleration/energy drift too large 5.83489678404588 - 17.2629224217329 split increased to 2 itime 752662 +Velocities reset to random values, time 149999.80 + acceleration/energy drift too large 2.87860232607083 + 19.1645526288885 split increased to 2 itime 751538 itsplit 1 - acceleration/energy drift too large 2.23243631458889 - 10.8104764541568 split increased to 2 itime 753797 + acceleration/energy drift too large 5.13559769815624 + 16.5159686555505 split increased to 2 itime 753584 itsplit 1 - acceleration/energy drift too large 5.09947780824544 - 13.4010978902820 split increased to 2 itime 754466 + acceleration/energy drift too large 2.27632149203717 + 11.9349661851980 split increased to 2 itime 754101 itsplit 1 - acceleration/energy drift too large 5.07879120725615 - 12.2359838318543 split increased to 2 itime 755875 + acceleration/energy drift too large 10.3945093500895 + 49.3330792084864 split increased to 2 itime 754497 itsplit 1 - acceleration/energy drift too large 8.95906921437676 - 34.9324559384845 split increased to 2 itime 756505 + acceleration/energy drift too large 4.06954673546619 + 12.1543456759703 split increased to 2 itime 757882 itsplit 1 - acceleration/energy drift too large 3.92969734770630 - 13.2801363309280 split increased to 2 itime 757695 + acceleration/energy drift too large 3.20304100491877 + 23.7855130860363 split increased to 2 itime 758147 itsplit 1 - acceleration/energy drift too large 12.1286059623756 - 69.3661231273822 split increased to 2 itime 758473 + acceleration/energy drift too large 13.1319230131996 + 72.4493522697793 split increased to 2 itime 759378 itsplit 1 Velocities reset to random values, time 151999.80 - acceleration/energy drift too large 2.38956194335038 - 13.4824251234111 split increased to 2 itime 761283 + acceleration/energy drift too large 6.01986125466816 + 10.4930536375245 split increased to 2 itime 760753 + itsplit 1 + acceleration/energy drift too large 6.27432720710977 + 33.2394644755370 split increased to 2 itime 763709 itsplit 1 - acceleration/energy drift too large 6.71335589701264 - 29.9995440804558 split increased to 2 itime 761313 + acceleration/energy drift too large 3.44887929408789 + 10.4893825875809 split increased to 2 itime 763765 itsplit 1 - acceleration/energy drift too large 2.60381034694572 - 19.8174050912151 split increased to 2 itime 761367 + acceleration/energy drift too large 4.38522760747253 + 10.4384977574232 split increased to 2 itime 766106 itsplit 1 - acceleration/energy drift too large 5.35912210985763 - 11.5704300826650 split increased to 2 itime 761377 + acceleration/energy drift too large 6.73459105727101 + 19.5588031108727 split increased to 2 itime 766401 itsplit 1 - acceleration/energy drift too large 7.02612688452159 - 24.2981219904154 split increased to 2 itime 761640 + acceleration/energy drift too large 4.78507083844614 + 16.1478873743693 split increased to 2 itime 767098 itsplit 1 - acceleration/energy drift too large 3.30210232429247 - 21.0520994855872 split increased to 2 itime 762305 + acceleration/energy drift too large 4.38346008853357 + 11.4290894558621 split increased to 2 itime 767548 itsplit 1 - acceleration/energy drift too large 5.70974440002933 - 12.6434879020145 split increased to 2 itime 765075 + acceleration/energy drift too large 3.56093353695383 + 14.8397172304161 split increased to 2 itime 767869 itsplit 1 - acceleration/energy drift too large 2.91805930866349 - 10.2705170089242 split increased to 2 itime 766754 + acceleration/energy drift too large 6.32679076878958 + 23.4911514270911 split increased to 2 itime 768997 itsplit 1 - acceleration/energy drift too large 3.87827711722365 - 10.3833855869453 split increased to 2 itime 768017 + acceleration/energy drift too large 2.85058721651810 + 20.3719477641668 split increased to 2 itime 769401 itsplit 1 Velocities reset to random values, time 153999.80 - acceleration/energy drift too large 7.23304735491319 - 19.5503566674271 split increased to 2 itime 777319 + acceleration/energy drift too large 4.71517684080138 + 18.4888930476362 split increased to 2 itime 770039 + itsplit 1 + acceleration/energy drift too large 4.50946914456197 + 10.8304126585485 split increased to 2 itime 770352 + itsplit 1 + acceleration/energy drift too large 4.17783679213027 + 10.1280553343560 split increased to 2 itime 771324 itsplit 1 - acceleration/energy drift too large 7.49808799816246 - 17.5046224532120 split increased to 2 itime 778011 + acceleration/energy drift too large 5.53737373877983 + 17.4545145176496 split increased to 2 itime 771995 itsplit 1 - acceleration/energy drift too large 5.42546312700277 - 22.2799165999441 split increased to 2 itime 778696 + acceleration/energy drift too large 6.39346038396757 + 15.4648440595333 split increased to 2 itime 772323 itsplit 1 - acceleration/energy drift too large 5.29167669695716 - 17.9690397516625 split increased to 2 itime 778773 + acceleration/energy drift too large 4.60129015404501 + 16.3203786684519 split increased to 2 itime 772498 + itsplit 1 + acceleration/energy drift too large 5.04968718758489 + 17.1768851479124 split increased to 2 itime 775081 + itsplit 1 + acceleration/energy drift too large 3.92091671455242 + 10.6455797535465 split increased to 2 itime 776480 + itsplit 1 + acceleration/energy drift too large 6.86012390966314 + 23.9838314953939 split increased to 2 itime 776824 + itsplit 1 + acceleration/energy drift too large 6.16267864349347 + 25.5827788364359 split increased to 2 itime 778759 + itsplit 1 + acceleration/energy drift too large 2.93814449663803 + 18.3435346351630 split increased to 2 itime 778919 + itsplit 1 + acceleration/energy drift too large 5.83622716057804 + 15.7742731520468 split increased to 2 itime 778959 + itsplit 1 + acceleration/energy drift too large 7.67398664716389 + 13.5060116768786 split increased to 2 itime 779750 itsplit 1 Velocities reset to random values, time 155999.80 - acceleration/energy drift too large 3.80278396587570 - 10.2057167982440 split increased to 2 itime 780340 + acceleration/energy drift too large 4.85804512921091 + 11.5631447667968 split increased to 2 itime 780304 itsplit 1 - acceleration/energy drift too large 5.77447244578019 - 17.7661299519136 split increased to 2 itime 781365 + acceleration/energy drift too large 4.45594582280389 + 17.5306664891085 split increased to 2 itime 780333 itsplit 1 - acceleration/energy drift too large 7.31269052253176 - 19.7831445138354 split increased to 2 itime 781492 + acceleration/energy drift too large 4.44276794470482 + 10.0257180285181 split increased to 2 itime 780448 itsplit 1 - acceleration/energy drift too large 4.31697423507348 - 11.9400262614120 split increased to 2 itime 781824 + acceleration/energy drift too large 4.24605527797729 + 14.3572375009239 split increased to 2 itime 780850 itsplit 1 - acceleration/energy drift too large 0.347356432252640 - 10.1932673423635 split increased to 2 itime 781825 + acceleration/energy drift too large 2.84040242431037 + 16.7586098786126 split increased to 2 itime 781512 itsplit 1 - acceleration/energy drift too large 5.14786144935377 - 11.0889243004452 split increased to 2 itime 783548 + acceleration/energy drift too large 5.88078597927656 + 17.1693892574872 split increased to 2 itime 783895 itsplit 1 - acceleration/energy drift too large 2.41326108064900 - 11.8803050399384 split increased to 4 itime 783548 + acceleration/energy drift too large 4.64799726459311 + 12.5965473279487 split increased to 2 itime 784609 itsplit 1 - acceleration/energy drift too large 7.38892019473086 - 25.3696073905825 split increased to 2 itime 784069 + acceleration/energy drift too large 7.49617834646005 + 20.0903113588697 split increased to 2 itime 784891 itsplit 1 - acceleration/energy drift too large 3.45160411183108 - 12.3357234331473 split increased to 2 itime 786092 + acceleration/energy drift too large 2.36895390494312 + 10.3895892928064 split increased to 2 itime 784900 itsplit 1 - acceleration/energy drift too large 4.44535111718529 - 20.2183669461845 split increased to 2 itime 786385 + acceleration/energy drift too large 5.74710328002566 + 18.2734552699177 split increased to 2 itime 787625 itsplit 1 - acceleration/energy drift too large 5.96001230229975 - 26.7635877251907 split increased to 2 itime 787503 + acceleration/energy drift too large 4.27525173857317 + 11.8800720194965 split increased to 2 itime 788385 + itsplit 1 + acceleration/energy drift too large 2.44187443065912 + 21.3424294945298 split increased to 2 itime 788427 itsplit 1 Velocities reset to random values, time 157999.80 - acceleration/energy drift too large 5.23548359761978 - 17.9114640456567 split increased to 2 itime 790651 + acceleration/energy drift too large 5.06628610509479 + 19.4870647563858 split increased to 2 itime 790296 + itsplit 1 + acceleration/energy drift too large 3.33651836294132 + 20.1179656016631 split increased to 2 itime 791097 itsplit 1 - acceleration/energy drift too large 5.19874131998921 - 20.8276389678619 split increased to 2 itime 791576 + acceleration/energy drift too large 1.88565251614108 + 11.4025097324082 split increased to 2 itime 791682 itsplit 1 - acceleration/energy drift too large 2.27027156472139 - 14.2373773395271 split increased to 2 itime 791720 + acceleration/energy drift too large 7.41937722143516 + 26.4336335028364 split increased to 2 itime 792827 itsplit 1 - acceleration/energy drift too large 4.21481357532670 - 10.5182673748253 split increased to 2 itime 792410 + acceleration/energy drift too large 11.4734442294536 + 55.0654793475296 split increased to 2 itime 795270 itsplit 1 - acceleration/energy drift too large 9.62747663514687 - 33.2828624009179 split increased to 2 itime 793407 + acceleration/energy drift too large 5.15454508658223 + 10.5510612909391 split increased to 2 itime 797107 itsplit 1 - acceleration/energy drift too large 6.08595268147392 - 17.2183956122480 split increased to 2 itime 793762 + acceleration/energy drift too large 5.16390363252534 + 12.6191535520128 split increased to 2 itime 797896 itsplit 1 - acceleration/energy drift too large 2.33187635002060 - 17.2973581161712 split increased to 2 itime 793846 + acceleration/energy drift too large 10.9556896542559 + 66.3975354544561 split increased to 2 itime 798567 itsplit 1 - acceleration/energy drift too large 3.76374231425319 - 11.0863475859656 split increased to 2 itime 797548 + acceleration/energy drift too large 5.40918233810329 + 10.9964018365213 split increased to 2 itime 799427 itsplit 1 + acceleration/energy drift too large 12.4013640466110 + 54.5241516641713 split increased to 2 itime 799822 + itsplit 1 + acceleration/energy drift too large 2.87214042860057 + 12.4642037907085 split increased to 4 itime 799822 + itsplit 2 Velocities reset to random values, time 159999.80 REMD synchro at 800000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 331.621093750000 0.000000000000000E+000 + REMD gather times= 285.488281250000 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 8 -ACC 2 260.00000 0.25000 8 -ACC 3 270.00000 0.37500 8 -ACC 4 280.00000 0.25000 8 -ACC 5 290.00000 0.37500 8 -ACC 6 300.00000 0.62500 8 -ACC 7 310.00000 0.75000 8 -ACC 8 320.00000 0.75000 8 -ACC 9 330.00000 0.25000 8 -ACC 10 340.00000 0.87500 8 -ACC 11 350.00000 0.75000 8 -ACC 12 360.00000 0.87500 8 -ACC 13 370.00000 0.87500 8 -ACC 14 380.00000 0.75000 8 -ACC 15 390.00000 1.00000 8 +ACC 1 250.00000 0.62500 8 +ACC 2 260.00000 0.50000 8 +ACC 3 270.00000 0.50000 8 +ACC 4 280.00000 0.87500 8 +ACC 5 290.00000 0.50000 8 +ACC 6 300.00000 0.25000 8 +ACC 7 310.00000 0.62500 8 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 4.08408958740091 - 12.4488236775417 split increased to 2 itime 800440 + acceleration/energy drift too large 6.38982616538168 + 14.0111080703752 split increased to 2 itime 800101 itsplit 1 - acceleration/energy drift too large 3.12351915924261 - 11.5479193458302 split increased to 2 itime 801256 + acceleration/energy drift too large 4.14027589595500 + 11.4170555687485 split increased to 2 itime 800790 itsplit 1 - acceleration/energy drift too large 4.76765323789805 - 13.7971758966707 split increased to 2 itime 802194 + acceleration/energy drift too large 9.20840581119302 + 42.4300210835148 split increased to 2 itime 802023 itsplit 1 - acceleration/energy drift too large 7.19336682379580 - 16.4374505373611 split increased to 2 itime 805507 + acceleration/energy drift too large 2.71108520880328 + 17.5466825246406 split increased to 2 itime 803601 itsplit 1 - acceleration/energy drift too large 4.20944490114535 - 12.6537934545908 split increased to 2 itime 805689 + acceleration/energy drift too large 2.91997608530412 + 16.5729129673690 split increased to 2 itime 806567 itsplit 1 - acceleration/energy drift too large 3.45858800382427 - 10.2880432515098 split increased to 2 itime 806028 + acceleration/energy drift too large 3.68606668257559 + 10.9362083879882 split increased to 2 itime 806577 itsplit 1 - acceleration/energy drift too large 5.66476398431336 - 15.1302639260121 split increased to 2 itime 808305 + acceleration/energy drift too large 5.38063545727392 + 13.0147643904552 split increased to 2 itime 807011 itsplit 1 -Velocities reset to random values, time 161999.80 - acceleration/energy drift too large 6.47200256263873 - 28.7184629958246 split increased to 2 itime 811039 + acceleration/energy drift too large 4.86595853979309 + 11.0143840216691 split increased to 2 itime 809108 itsplit 1 - acceleration/energy drift too large 2.44388243700491 - 10.5618779643494 split increased to 2 itime 811771 +Velocities reset to random values, time 161999.80 + acceleration/energy drift too large 4.97656218622521 + 18.7139462518978 split increased to 2 itime 810046 itsplit 1 - acceleration/energy drift too large 5.08529166998655 - 24.3663441062480 split increased to 2 itime 813193 + acceleration/energy drift too large 2.80071335902289 + 19.1098244029923 split increased to 2 itime 816741 itsplit 1 - acceleration/energy drift too large 7.33571159855923 - 35.3725925031465 split increased to 2 itime 814982 + acceleration/energy drift too large 1.57171853933185 + 14.7874296786375 split increased to 2 itime 819053 itsplit 1 - acceleration/energy drift too large 7.68404272134721 - 30.3237702470528 split increased to 2 itime 816982 +Velocities reset to random values, time 163999.80 + acceleration/energy drift too large 4.83593381802535 + 11.4299473572968 split increased to 2 itime 821082 itsplit 1 - acceleration/energy drift too large 5.10313454590048 - 17.4921742589240 split increased to 2 itime 818234 + acceleration/energy drift too large 4.82642498526119 + 13.4220251557056 split increased to 2 itime 822588 itsplit 1 - acceleration/energy drift too large 7.98675736437558 - 30.5755774648578 split increased to 2 itime 819621 + acceleration/energy drift too large 4.86338868862978 + 11.7045852636132 split increased to 2 itime 822763 itsplit 1 -Velocities reset to random values, time 163999.80 - acceleration/energy drift too large 4.78054324272918 - 11.1824332632478 split increased to 2 itime 820402 + acceleration/energy drift too large 3.70728698019442 + 11.5748493847335 split increased to 2 itime 823413 itsplit 1 - acceleration/energy drift too large 3.26038963959499 - 20.2185218874292 split increased to 2 itime 823803 + acceleration/energy drift too large 3.95295212335654 + 12.1103454586233 split increased to 2 itime 826156 itsplit 1 - acceleration/energy drift too large 5.82700272401535 - 22.2969032965753 split increased to 2 itime 829456 + acceleration/energy drift too large 4.84025202063181 + 20.7429200825696 split increased to 2 itime 826432 itsplit 1 Velocities reset to random values, time 165999.80 - acceleration/energy drift too large 4.33818208044453 - 15.7830111180855 split increased to 2 itime 830418 + acceleration/energy drift too large 5.13882882159655 + 20.4967449360619 split increased to 2 itime 830695 itsplit 1 -Velocities reset to random values, time 167999.80 - acceleration/energy drift too large 9.41834978888285 - 39.7753471470065 split increased to 2 itime 840511 + acceleration/energy drift too large 5.27825612684845 + 28.7806468475984 split increased to 2 itime 833316 itsplit 1 - acceleration/energy drift too large 5.54357869442185 - 13.7753319393231 split increased to 2 itime 844045 + acceleration/energy drift too large 6.20814391914971 + 29.6061899268495 split increased to 2 itime 833963 itsplit 1 - acceleration/energy drift too large 8.78253291842823 - 37.1617187185735 split increased to 2 itime 844750 + acceleration/energy drift too large 2.70773071318708 + 15.5069987555061 split increased to 2 itime 837774 itsplit 1 - acceleration/energy drift too large 7.71858191080219 - 23.5136351225193 split increased to 2 itime 846405 + acceleration/energy drift too large 4.03149984931755 + 10.0656102731350 split increased to 2 itime 839443 itsplit 1 - acceleration/energy drift too large 4.43034239515480 - 11.7919290417298 split increased to 2 itime 847840 + acceleration/energy drift too large 5.64345675065509 + 21.8247880007059 split increased to 2 itime 839681 itsplit 1 - acceleration/energy drift too large 8.87599084665895 - 21.5493505821429 split increased to 2 itime 848352 +Velocities reset to random values, time 167999.80 + acceleration/energy drift too large 4.69132067408565 + 10.8783809110459 split increased to 2 itime 841354 itsplit 1 -Velocities reset to random values, time 169999.80 - acceleration/energy drift too large 8.43703375440349 - 26.1111376703467 split increased to 2 itime 850260 + acceleration/energy drift too large 4.95512230447669 + 12.8120527542717 split increased to 2 itime 842814 itsplit 1 - acceleration/energy drift too large 2.41637898959447 - 11.9496115966891 split increased to 4 itime 850260 + acceleration/energy drift too large 2.49929373087501 + 13.1164599253656 split increased to 2 itime 846183 itsplit 1 - acceleration/energy drift too large 3.65410582160430 - 28.9337075120477 split increased to 2 itime 857936 + acceleration/energy drift too large 4.02589639117982 + 10.0187602662072 split increased to 2 itime 846809 itsplit 1 - acceleration/energy drift too large 6.38002562341255 - 20.5163193214104 split increased to 2 itime 857970 + acceleration/energy drift too large 6.28134978186297 + 15.0563320815804 split increased to 2 itime 847881 itsplit 1 - acceleration/energy drift too large 3.03941011527822 - 12.5754059523026 split increased to 2 itime 858903 + acceleration/energy drift too large 5.90885364444279 + 15.5103421149442 split increased to 2 itime 847935 itsplit 1 -Velocities reset to random values, time 171999.80 - acceleration/energy drift too large 5.09869595999513 - 17.2023674029247 split increased to 2 itime 861988 + acceleration/energy drift too large 2.89407661922939 + 23.7470580752899 split increased to 2 itime 848002 itsplit 1 - acceleration/energy drift too large 3.16529716885340 - 22.3504973180927 split increased to 2 itime 863263 +Velocities reset to random values, time 169999.80 + acceleration/energy drift too large 2.20847104732558 + 14.9938466618668 split increased to 2 itime 851316 itsplit 1 - acceleration/energy drift too large 3.94815827368737 - 20.9389938660938 split increased to 2 itime 868128 + acceleration/energy drift too large 9.29819509824809 + 36.8466541613356 split increased to 2 itime 852161 itsplit 1 - acceleration/energy drift too large 2.82813693077582 - 10.0201144432299 split increased to 2 itime 868161 + acceleration/energy drift too large 5.34608327107558 + 12.2267249729833 split increased to 2 itime 852367 itsplit 1 - acceleration/energy drift too large 2.97370644372922 - 14.7588956752508 split increased to 2 itime 868183 + acceleration/energy drift too large 7.74669942262979 + 23.1114195705199 split increased to 2 itime 852885 itsplit 1 - acceleration/energy drift too large 3.96390719236278 - 15.7313795279113 split increased to 2 itime 868491 + acceleration/energy drift too large 4.48160873110114 + 11.4985883221532 split increased to 2 itime 854469 itsplit 1 - acceleration/energy drift too large 4.49057827341746 - 12.2101803942524 split increased to 2 itime 868802 + acceleration/energy drift too large 4.33453883577452 + 12.0646422977711 split increased to 2 itime 859985 itsplit 1 - acceleration/energy drift too large 4.62268156797011 - 20.3048498331502 split increased to 2 itime 868857 + acceleration/energy drift too large 5.75094004222132 + 16.7079862095291 split increased to 2 itime 859991 itsplit 1 - acceleration/energy drift too large 2.82758781325957 - 10.2157271990151 split increased to 2 itime 868908 +Velocities reset to random values, time 171999.80 + acceleration/energy drift too large 17.5859051008176 + 127.961843631841 split increased to 2 itime 861368 itsplit 1 - acceleration/energy drift too large 6.13313732025728 - 27.7441966522601 split increased to 2 itime 869179 + acceleration/energy drift too large 3.08588945210958 + 20.1741435818853 split increased to 2 itime 862361 itsplit 1 - acceleration/energy drift too large 3.97648386870646 - 23.2118831220007 split increased to 2 itime 869465 + acceleration/energy drift too large 3.80444264659922 + 10.7346391225929 split increased to 2 itime 864084 itsplit 1 -Velocities reset to random values, time 173999.80 - acceleration/energy drift too large 3.95967950728212 - 12.1340881954239 split increased to 2 itime 871300 + acceleration/energy drift too large 8.50804119298306 + 29.8310583678372 split increased to 2 itime 865057 itsplit 1 - acceleration/energy drift too large 6.84088379366927 - 13.5684652273753 split increased to 2 itime 871852 + acceleration/energy drift too large 10.7900732799642 + 43.7887689148419 split increased to 2 itime 868027 + itsplit 1 +Velocities reset to random values, time 173999.80 + acceleration/energy drift too large 4.43609744291397 + 23.2381566778779 split increased to 2 itime 870794 itsplit 1 - acceleration/energy drift too large 5.54828041045013 - 16.9373733702985 split increased to 2 itime 875525 + acceleration/energy drift too large 2.77507956919091 + 12.9411071827373 split increased to 2 itime 873419 itsplit 1 - acceleration/energy drift too large 4.06184948608980 - 20.8189093256982 split increased to 2 itime 876200 + acceleration/energy drift too large 4.28904465352887 + 12.0029911148012 split increased to 2 itime 875591 itsplit 1 - acceleration/energy drift too large 6.38806491317628 - 10.4459065025896 split increased to 2 itime 876258 + acceleration/energy drift too large 3.11749826162068 + 10.8622265628500 split increased to 2 itime 876577 itsplit 1 - acceleration/energy drift too large 4.30411225607038 - 18.0917827384928 split increased to 2 itime 877550 + acceleration/energy drift too large 3.70106234255028 + 16.8969754572951 split increased to 2 itime 877955 itsplit 1 - acceleration/energy drift too large 2.94749119836904 - 21.3269540251211 split increased to 2 itime 877734 + acceleration/energy drift too large 3.26923106665625 + 12.9959236803703 split increased to 2 itime 878919 itsplit 1 Velocities reset to random values, time 175999.80 - acceleration/energy drift too large 2.16672268647222 - 10.4816245016139 split increased to 2 itime 880680 + acceleration/energy drift too large 15.8196809012077 + 97.3854633800309 split increased to 2 itime 880117 + itsplit 1 + acceleration/energy drift too large 7.52884596253747 + 17.8026315304973 split increased to 2 itime 881394 + itsplit 1 + acceleration/energy drift too large 3.79473381050383 + 10.6290104459350 split increased to 2 itime 881910 + itsplit 1 + acceleration/energy drift too large 10.3673138930918 + 49.2420982670958 split increased to 2 itime 885631 + itsplit 1 + acceleration/energy drift too large 12.2991967136082 + 80.9459880245008 split increased to 2 itime 885966 itsplit 1 - acceleration/energy drift too large 4.86499489226901 - 13.8313415454886 split increased to 2 itime 882516 + acceleration/energy drift too large 5.24599104657334 + 17.4420361266843 split increased to 2 itime 886015 itsplit 1 - acceleration/energy drift too large 5.78521891421254 - 24.0057929736009 split increased to 2 itime 885949 + acceleration/energy drift too large 7.38609922912284 + 31.0171040946429 split increased to 2 itime 886558 itsplit 1 - acceleration/energy drift too large 7.93059285037192 - 22.7091408537575 split increased to 2 itime 886564 + acceleration/energy drift too large 6.14320257659810 + 22.4261700557738 split increased to 2 itime 889815 itsplit 1 - acceleration/energy drift too large 5.12586774710923 - 18.4022433502917 split increased to 2 itime 888384 + acceleration/energy drift too large 5.11862435901591 + 15.6347494880867 split increased to 2 itime 889921 itsplit 1 Velocities reset to random values, time 177999.80 - acceleration/energy drift too large 14.1957988306399 - 83.7309233349541 split increased to 2 itime 892605 + acceleration/energy drift too large 3.91370387215909 + 12.2391311245022 split increased to 2 itime 890045 itsplit 1 - acceleration/energy drift too large 2.63291726257252 - 11.8734554480515 split increased to 4 itime 892605 - itsplit 2 - acceleration/energy drift too large 7.07426533738856 - 14.1484554270492 split increased to 2 itime 892781 + acceleration/energy drift too large 6.37973522982974 + 23.8648614403877 split increased to 2 itime 890069 + itsplit 1 + acceleration/energy drift too large 5.56635092306949 + 12.6241158439758 split increased to 2 itime 891331 + itsplit 1 + acceleration/energy drift too large 3.75268897476799 + 12.1575580035970 split increased to 2 itime 892518 itsplit 1 - acceleration/energy drift too large 4.58269544360829 - 10.6542840724855 split increased to 2 itime 894248 + acceleration/energy drift too large 4.43937575439957 + 22.7722492049640 split increased to 2 itime 892802 itsplit 1 - acceleration/energy drift too large 7.44922169071775 - 25.1294768049739 split increased to 2 itime 894683 + acceleration/energy drift too large 10.6241876598926 + 45.9953000664938 split increased to 2 itime 895411 itsplit 1 - acceleration/energy drift too large 4.91173938389667 - 12.9780056053374 split increased to 2 itime 894698 + acceleration/energy drift too large 2.39962345129468 + 19.2569996056086 split increased to 2 itime 896287 itsplit 1 - acceleration/energy drift too large 1.87724879000168 - 10.9052408931456 split increased to 2 itime 894940 + acceleration/energy drift too large 5.47353447683182 + 16.5933524361732 split increased to 2 itime 897036 itsplit 1 - acceleration/energy drift too large 3.98317317396835 - 11.4700191857306 split increased to 2 itime 896193 + acceleration/energy drift too large 6.81362692943530 + 14.5829361927480 split increased to 2 itime 898189 itsplit 1 - acceleration/energy drift too large 4.84819647043968 - 17.7940787249061 split increased to 2 itime 897436 + acceleration/energy drift too large 1.00734609186052 + 10.7635986048675 split increased to 2 itime 898647 itsplit 1 Velocities reset to random values, time 179999.80 REMD synchro at 900000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 - REMD gather times= 372.859375000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 + REMD gather times= 321.027343750000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.44444 9 -ACC 2 260.00000 0.22222 9 -ACC 3 270.00000 0.44444 9 -ACC 4 280.00000 0.22222 9 +ACC 1 250.00000 0.55556 9 +ACC 2 260.00000 0.44444 9 +ACC 3 270.00000 0.55556 9 +ACC 4 280.00000 0.77778 9 ACC 5 290.00000 0.44444 9 -ACC 6 300.00000 0.66667 9 +ACC 6 300.00000 0.33333 9 ACC 7 310.00000 0.66667 9 -ACC 8 320.00000 0.66667 9 -ACC 9 330.00000 0.33333 9 -ACC 10 340.00000 0.88889 9 -ACC 11 350.00000 0.66667 9 -ACC 12 360.00000 0.88889 9 -ACC 13 370.00000 0.88889 9 -ACC 14 380.00000 0.66667 9 -ACC 15 390.00000 1.00000 9 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 6.80307774896243 - 19.3124234088704 split increased to 2 itime 900852 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 4.09600332175736 + 24.1403659075263 split increased to 2 itime 900254 itsplit 1 - acceleration/energy drift too large 4.41154721779829 - 11.0660768588015 split increased to 2 itime 901213 + acceleration/energy drift too large 5.43805032742437 + 15.7288034718753 split increased to 2 itime 900366 itsplit 1 - acceleration/energy drift too large 8.27127214247565 - 21.9395778634232 split increased to 2 itime 902039 + acceleration/energy drift too large 4.19676251286341 + 13.2249412720939 split increased to 2 itime 900900 itsplit 1 - acceleration/energy drift too large 8.04958420189117 - 18.8430910280835 split increased to 2 itime 902121 + acceleration/energy drift too large 3.66831898362625 + 17.2452353330407 split increased to 2 itime 902349 itsplit 1 - acceleration/energy drift too large 6.51438711553797 - 28.2327236815445 split increased to 2 itime 902368 + acceleration/energy drift too large 3.99500825743902 + 22.2447701986294 split increased to 2 itime 902723 itsplit 1 - acceleration/energy drift too large 8.42263868759753 - 24.8944174479372 split increased to 2 itime 902460 + acceleration/energy drift too large 5.28533241554909 + 17.3164410718493 split increased to 2 itime 904013 itsplit 1 - acceleration/energy drift too large 11.3588797307148 - 57.0539232532797 split increased to 2 itime 904588 + acceleration/energy drift too large 4.81570551600218 + 10.4955545810156 split increased to 2 itime 908078 itsplit 1 - acceleration/energy drift too large 5.40442018878542 - 14.1542559605059 split increased to 2 itime 906407 +Velocities reset to random values, time 181999.80 + acceleration/energy drift too large 3.41579550202011 + 12.4573417227440 split increased to 2 itime 910753 itsplit 1 - acceleration/energy drift too large 9.47818274991936 - 41.9312323581368 split increased to 2 itime 907492 + acceleration/energy drift too large 2.03008057515268 + 14.4886311320402 split increased to 2 itime 911038 itsplit 1 -Velocities reset to random values, time 181999.80 - acceleration/energy drift too large 4.14041007131799 - 13.6884763974237 split increased to 2 itime 910797 + acceleration/energy drift too large 3.03786301929757 + 15.3730866067150 split increased to 2 itime 912949 itsplit 1 - acceleration/energy drift too large 8.96247910550203 - 38.3774101640457 split increased to 2 itime 911992 + acceleration/energy drift too large 8.48315313835493 + 46.3803115244135 split increased to 2 itime 913057 itsplit 1 - acceleration/energy drift too large 5.19225712594980 - 14.1218085635234 split increased to 2 itime 913992 + acceleration/energy drift too large 2.13274342487333 + 12.7744807785303 split increased to 2 itime 916654 itsplit 1 - acceleration/energy drift too large 1.55020123013803 - 11.2603696584587 split increased to 2 itime 913993 + acceleration/energy drift too large 4.90931864598165 + 12.4882248279962 split increased to 2 itime 918104 itsplit 1 - acceleration/energy drift too large 3.67467600152415 - 11.1308439544382 split increased to 2 itime 918188 + acceleration/energy drift too large 2.86506890460627 + 16.6375303650656 split increased to 2 itime 918354 itsplit 1 - acceleration/energy drift too large 5.87543829487982 - 17.5936735137630 split increased to 2 itime 919424 + acceleration/energy drift too large 4.50859238700249 + 12.1016065772025 split increased to 2 itime 919089 itsplit 1 Velocities reset to random values, time 183999.80 - acceleration/energy drift too large 6.89439736087552 - 20.5707366508991 split increased to 2 itime 922987 - itsplit 1 - acceleration/energy drift too large 3.39125331269946 - 10.1833163787719 split increased to 2 itime 922988 + acceleration/energy drift too large 5.77510767804689 + 19.1883388067014 split increased to 2 itime 922570 itsplit 1 - acceleration/energy drift too large 2.67253249615859 - 10.8159939168896 split increased to 2 itime 924897 + acceleration/energy drift too large 2.14043371204570 + 13.3402348577469 split increased to 2 itime 922792 itsplit 1 - acceleration/energy drift too large 5.63880238100149 - 16.2900850294096 split increased to 2 itime 925341 + acceleration/energy drift too large 2.21805198341595 + 19.1959381228315 split increased to 2 itime 923365 itsplit 1 - acceleration/energy drift too large 2.79653612917923 - 13.8830502464221 split increased to 2 itime 926200 + acceleration/energy drift too large 12.2171701249866 + 69.0188607238379 split increased to 2 itime 925745 itsplit 1 - acceleration/energy drift too large 5.12768293050376 - 21.6436258575712 split increased to 2 itime 927567 + acceleration/energy drift too large 3.12092073616893 + 21.9395715298105 split increased to 2 itime 927279 itsplit 1 - acceleration/energy drift too large 4.07367099570602 - 10.9138107040253 split increased to 2 itime 928469 + acceleration/energy drift too large 3.32499002954176 + 12.1891007877187 split increased to 2 itime 929095 itsplit 1 Velocities reset to random values, time 185999.80 - acceleration/energy drift too large 7.38307613328744 - 11.1803944772985 split increased to 2 itime 931547 + acceleration/energy drift too large 2.11452261552359 + 10.9719743927947 split increased to 2 itime 930139 itsplit 1 - acceleration/energy drift too large 9.14661026599905 - 14.4104795419354 split increased to 2 itime 931700 + acceleration/energy drift too large 2.66290633598862 + 15.1419462949289 split increased to 2 itime 930378 itsplit 1 - acceleration/energy drift too large 4.57433378377475 - 14.0926698849211 split increased to 2 itime 933579 + acceleration/energy drift too large 3.77162633900425 + 16.3516792148038 split increased to 2 itime 932427 itsplit 1 - acceleration/energy drift too large 2.66122761670839 - 24.9114328568537 split increased to 2 itime 934035 + acceleration/energy drift too large 4.98862215297974 + 13.7814488631940 split increased to 2 itime 933132 itsplit 1 - acceleration/energy drift too large 5.57563407996959 - 11.8984071730631 split increased to 2 itime 935637 + acceleration/energy drift too large 8.66546969942739 + 34.7313541672667 split increased to 2 itime 935891 itsplit 1 - acceleration/energy drift too large 4.48459049309447 - 21.5845871712041 split increased to 2 itime 936817 + acceleration/energy drift too large 2.75532205708844 + 17.2182214080188 split increased to 2 itime 936560 itsplit 1 - acceleration/energy drift too large 2.68358932477076 - 10.1169163748936 split increased to 2 itime 936886 + acceleration/energy drift too large 3.36601164759325 + 14.7095917722228 split increased to 2 itime 936814 itsplit 1 - acceleration/energy drift too large 3.86002415528629 - 12.7298671994907 split increased to 2 itime 936949 + acceleration/energy drift too large 6.29744618912871 + 25.3289625636467 split increased to 2 itime 936923 itsplit 1 - acceleration/energy drift too large 10.6806997240932 - 48.8333433889083 split increased to 2 itime 936978 - itsplit 1 - acceleration/energy drift too large 4.25858380303147 - 10.2062387533218 split increased to 2 itime 939117 + acceleration/energy drift too large 3.29188848530177 + 11.3180878156024 split increased to 2 itime 938516 itsplit 1 Velocities reset to random values, time 187999.80 - acceleration/energy drift too large 2.99806815885491 - 10.3670993394339 split increased to 2 itime 941410 + acceleration/energy drift too large 7.45060497304771 + 19.1056835363473 split increased to 2 itime 941055 itsplit 1 - acceleration/energy drift too large 6.95995718760027 - 17.0907910219986 split increased to 2 itime 941428 + acceleration/energy drift too large 1.70927865281569 + 15.4276134067700 split increased to 2 itime 941594 itsplit 1 - acceleration/energy drift too large 3.96477544687776 - 11.0157340013351 split increased to 2 itime 942812 + acceleration/energy drift too large 2.79520554599676 + 16.5866162824307 split increased to 2 itime 942140 itsplit 1 - acceleration/energy drift too large 2.78560378511364 - 11.6323713086335 split increased to 2 itime 943624 + acceleration/energy drift too large 5.72086722335302 + 16.1982859112045 split increased to 2 itime 942211 itsplit 1 - acceleration/energy drift too large 1.97221965443574 - 10.6949309918516 split increased to 2 itime 943644 + acceleration/energy drift too large 9.26184595271055 + 43.3725049475285 split increased to 2 itime 945636 itsplit 1 - acceleration/energy drift too large 3.64464312294482 - 11.3120479758894 split increased to 2 itime 943652 + acceleration/energy drift too large 5.28792409397115 + 22.4304375258818 split increased to 2 itime 945939 itsplit 1 - acceleration/energy drift too large 2.17215144108547 - 10.4015522824314 split increased to 2 itime 943664 + acceleration/energy drift too large 6.39915602440857 + 19.3893760838846 split increased to 2 itime 946132 itsplit 1 - acceleration/energy drift too large 7.54008567621025 - 21.1876185890778 split increased to 2 itime 947556 + acceleration/energy drift too large 2.90339511393574 + 21.9254360390714 split increased to 2 itime 946175 itsplit 1 - acceleration/energy drift too large 11.9230373309006 - 60.5829946916903 split increased to 2 itime 948426 + acceleration/energy drift too large 4.65413402031297 + 11.6411815863245 split increased to 2 itime 949174 itsplit 1 Velocities reset to random values, time 189999.80 - acceleration/energy drift too large 6.06250980515307 - 13.5866356014714 split increased to 2 itime 951686 - itsplit 1 - acceleration/energy drift too large 2.12344590097711 - 12.3837011834801 split increased to 2 itime 951687 - itsplit 1 - acceleration/energy drift too large 4.81968949558441 - 13.3788454534942 split increased to 2 itime 952513 + acceleration/energy drift too large 9.39335776390491 + 39.2467283807493 split increased to 2 itime 955601 itsplit 1 - acceleration/energy drift too large 4.51771913971148 - 24.2126892886667 split increased to 2 itime 955166 + acceleration/energy drift too large 2.11476948097336 + 12.1647056607480 split increased to 2 itime 955808 itsplit 1 - acceleration/energy drift too large 5.22078357207322 - 12.4267415109033 split increased to 2 itime 955995 + acceleration/energy drift too large 10.4478114809711 + 51.2481138788660 split increased to 2 itime 955869 itsplit 1 - acceleration/energy drift too large 2.54677460115570 - 11.6134852033933 split increased to 2 itime 958855 + acceleration/energy drift too large 8.52454654017668 + 16.3972254869401 split increased to 2 itime 957044 itsplit 1 - acceleration/energy drift too large 8.10787151072794 - 15.6697666769298 split increased to 2 itime 959052 - itsplit 1 - acceleration/energy drift too large 7.04072136801924 - 13.8436660350887 split increased to 2 itime 959064 + acceleration/energy drift too large 10.9620368452827 + 61.3432352687953 split increased to 2 itime 958041 itsplit 1 Velocities reset to random values, time 191999.80 - acceleration/energy drift too large 4.03928217835760 - 10.1170361144387 split increased to 2 itime 960653 - itsplit 1 - acceleration/energy drift too large 1.76534673599795 - 13.3132309790743 split increased to 2 itime 961547 - itsplit 1 - acceleration/energy drift too large 2.45359165847183 - 12.5303780656618 split increased to 2 itime 961548 - itsplit 1 - acceleration/energy drift too large 4.18587959210560 - 11.7105194463004 split increased to 2 itime 962421 - itsplit 1 - acceleration/energy drift too large 2.97981664943223 - 19.8803368857843 split increased to 2 itime 963065 - itsplit 1 - acceleration/energy drift too large 6.30789144398029 - 18.7157557059132 split increased to 2 itime 963551 + acceleration/energy drift too large 3.49304175291247 + 12.4467149370136 split increased to 2 itime 960919 itsplit 1 - acceleration/energy drift too large 5.11699708651645 - 11.4790181720050 split increased to 2 itime 963664 + acceleration/energy drift too large 3.51981498723119 + 12.3098727856934 split increased to 2 itime 961029 itsplit 1 - acceleration/energy drift too large 5.87497660521767 - 22.3171823535461 split increased to 2 itime 964148 + acceleration/energy drift too large 5.40027540039806 + 13.0168704833841 split increased to 2 itime 963432 itsplit 1 - acceleration/energy drift too large 2.97653781375550 - 21.1442853290830 split increased to 2 itime 964820 + acceleration/energy drift too large 10.0197203285980 + 38.3006166618357 split increased to 2 itime 964146 itsplit 1 - acceleration/energy drift too large 3.63473393819300 - 10.1700217763226 split increased to 2 itime 967154 + acceleration/energy drift too large 1.65041805282890 + 12.5343766511639 split increased to 2 itime 964147 itsplit 1 - acceleration/energy drift too large 10.7041710437672 - 54.8906400960495 split increased to 2 itime 968155 + acceleration/energy drift too large 3.05706826690202 + 12.0581646153993 split increased to 2 itime 968149 itsplit 1 - acceleration/energy drift too large 2.37077394741869 - 13.1446481682347 split increased to 2 itime 969729 + acceleration/energy drift too large 1.97484843301173 + 11.0055349772362 split increased to 2 itime 969389 itsplit 1 Velocities reset to random values, time 193999.80 - acceleration/energy drift too large 2.51683209829565 - 13.7103742175068 split increased to 2 itime 970048 + acceleration/energy drift too large 5.17842158002479 + 13.6336613072994 split increased to 2 itime 972611 itsplit 1 - acceleration/energy drift too large 2.47129543399149 - 12.7009963135846 split increased to 2 itime 970969 + acceleration/energy drift too large 4.50438525134163 + 11.3228475250135 split increased to 2 itime 973242 itsplit 1 - acceleration/energy drift too large 4.34902140828444 - 15.6155927190299 split increased to 2 itime 971020 + acceleration/energy drift too large 5.92220392075999 + 17.1424041305661 split increased to 2 itime 973623 itsplit 1 - acceleration/energy drift too large 2.27334650823075 - 11.1697735787551 split increased to 2 itime 971056 + acceleration/energy drift too large 4.17534740318464 + 16.5548148625435 split increased to 2 itime 974557 itsplit 1 - acceleration/energy drift too large 7.03050146862214 - 20.7278137426450 split increased to 2 itime 971289 + acceleration/energy drift too large 5.40510523889666 + 22.7691816764549 split increased to 2 itime 976401 itsplit 1 - acceleration/energy drift too large 2.82355440155670 - 10.7175078002837 split increased to 2 itime 971329 + acceleration/energy drift too large 5.41830170639129 + 13.0130511937652 split increased to 2 itime 976615 itsplit 1 - acceleration/energy drift too large 1.74196085390996 - 10.0783949574867 split increased to 2 itime 971404 + acceleration/energy drift too large 4.14969257993521 + 22.8917849750396 split increased to 2 itime 976760 itsplit 1 - acceleration/energy drift too large 2.64241839419164 - 10.3992457144291 split increased to 2 itime 971456 + acceleration/energy drift too large 2.60673518803913 + 10.1411423646849 split increased to 2 itime 977223 itsplit 1 - acceleration/energy drift too large 2.79979766757045 - 10.0970445429678 split increased to 2 itime 971461 + acceleration/energy drift too large 9.90346261107569 + 45.3750028208393 split increased to 2 itime 977422 itsplit 1 - acceleration/energy drift too large 7.28424350355136 - 27.9143801763084 split increased to 2 itime 974239 + acceleration/energy drift too large 2.70529752485715 + 11.8640469064687 split increased to 2 itime 978359 itsplit 1 - acceleration/energy drift too large 6.77088601301388 - 17.8048840964558 split increased to 2 itime 974768 + acceleration/energy drift too large 3.70086774910857 + 24.0878671547424 split increased to 2 itime 978400 itsplit 1 - acceleration/energy drift too large 3.41386834696525 - 18.7708967601219 split increased to 2 itime 975371 - itsplit 1 - acceleration/energy drift too large 5.64915319002032 - 19.7791371229969 split increased to 2 itime 976398 - itsplit 1 - acceleration/energy drift too large 2.19824426915873 - 13.7488292455081 split increased to 2 itime 976399 - itsplit 1 - acceleration/energy drift too large 3.40026348768391 - 11.6355733357343 split increased to 2 itime 977211 - itsplit 1 - acceleration/energy drift too large 4.62967632892734 - 25.9496933402413 split increased to 2 itime 977298 - itsplit 1 - acceleration/energy drift too large 4.25437884762082 - 12.7948437978389 split increased to 2 itime 977367 - itsplit 1 - acceleration/energy drift too large 9.94726087019807 - 31.8640676380020 split increased to 2 itime 979575 - itsplit 1 - acceleration/energy drift too large 8.40906112675185 - 23.8825372491426 split increased to 2 itime 979666 - itsplit 1 - acceleration/energy drift too large 4.92768374585870 - 11.8255044210021 split increased to 2 itime 979974 + acceleration/energy drift too large 4.20223748105699 + 11.4174191977298 split increased to 2 itime 979268 itsplit 1 Velocities reset to random values, time 195999.80 - acceleration/energy drift too large 7.19092710727202 - 21.4155174017609 split increased to 2 itime 980160 - itsplit 1 - acceleration/energy drift too large 8.83714967451627 - 13.6365806970922 split increased to 2 itime 980182 - itsplit 1 - acceleration/energy drift too large 6.33340887021015 - 14.4224467611517 split increased to 2 itime 980385 - itsplit 1 - acceleration/energy drift too large 6.13045624251346 - 15.4198344809008 split increased to 2 itime 980497 - itsplit 1 - acceleration/energy drift too large 3.47999039597566 - 15.6363206461745 split increased to 4 itime 980497 - itsplit 1 - acceleration/energy drift too large 9.69278117428418 - 29.5493747110829 split increased to 2 itime 980816 - itsplit 1 - acceleration/energy drift too large 2.88338361369947 - 10.5330328744217 split increased to 2 itime 981025 - itsplit 1 - acceleration/energy drift too large 1.75623295445173 - 10.0149509658342 split increased to 2 itime 981075 - itsplit 1 - acceleration/energy drift too large 5.90602929463566 - 15.7916821896797 split increased to 2 itime 981966 - itsplit 1 - acceleration/energy drift too large 6.62225656027006 - 18.2322309048501 split increased to 2 itime 985370 - itsplit 1 - acceleration/energy drift too large 2.43500865576060 - 10.3662887311496 split increased to 2 itime 985510 + acceleration/energy drift too large 5.01847171749209 + 12.4223843762061 split increased to 2 itime 980511 itsplit 1 - acceleration/energy drift too large 1.83401550880990 - 10.0080430305350 split increased to 2 itime 985535 + acceleration/energy drift too large 4.33456351446850 + 16.1724584707350 split increased to 2 itime 981027 itsplit 1 - acceleration/energy drift too large 6.00730096517442 - 16.1516098305455 split increased to 2 itime 986308 - itsplit 1 - acceleration/energy drift too large 9.54776854687486 - 31.2729096382561 split increased to 2 itime 986618 - itsplit 1 - acceleration/energy drift too large 1.71904169356812 - 12.9418097180014 split increased to 2 itime 986619 - itsplit 1 - acceleration/energy drift too large 3.87813960977231 - 17.4025074019065 split increased to 2 itime 987731 - itsplit 1 - acceleration/energy drift too large 6.84591415884719 - 30.2275212768287 split increased to 2 itime 988481 - itsplit 1 - acceleration/energy drift too large 3.31590013256418 - 12.3335526564077 split increased to 2 itime 988541 - itsplit 1 - acceleration/energy drift too large 5.20933045288123 - 10.8296380310782 split increased to 2 itime 988706 - itsplit 1 - acceleration/energy drift too large 3.31087648100204 - 22.9818506843464 split increased to 2 itime 989255 + acceleration/energy drift too large 3.80248481045070 + 22.5870208614060 split increased to 2 itime 986265 itsplit 1 Velocities reset to random values, time 197999.80 - acceleration/energy drift too large 9.11256032554574 - 39.9633884874971 split increased to 2 itime 991843 - itsplit 1 - acceleration/energy drift too large 2.79671407956713 - 11.0466130770807 split increased to 2 itime 995399 - itsplit 1 - acceleration/energy drift too large 3.32735704281660 - 26.0476439871136 split increased to 2 itime 995850 - itsplit 1 - acceleration/energy drift too large 5.70606494329088 - 18.9232877605009 split increased to 2 itime 996165 - itsplit 1 - acceleration/energy drift too large 2.15313495296238 - 10.7163317384939 split increased to 2 itime 997693 - itsplit 1 - acceleration/energy drift too large 3.52595136620705 - 15.6035016261854 split increased to 2 itime 997746 - itsplit 1 - acceleration/energy drift too large 2.95330354173708 - 10.6437617973183 split increased to 2 itime 997894 - itsplit 1 - acceleration/energy drift too large 4.95726442868944 - 11.3582533885453 split increased to 2 itime 998796 - itsplit 1 - acceleration/energy drift too large 13.3049159475383 - 61.0775050886759 split increased to 2 itime 998832 - itsplit 1 - acceleration/energy drift too large 2.55159374061974 - 24.5946327373787 split increased to 2 itime 998833 - itsplit 1 - acceleration/energy drift too large 4.59810549927951 - 12.5766521811184 split increased to 2 itime 998836 - itsplit 1 - acceleration/energy drift too large 3.53113800926296 - 10.4074034296021 split increased to 2 itime 998951 + acceleration/energy drift too large 2.42166593966305 + 16.5283014395278 split increased to 2 itime 993525 itsplit 1 - acceleration/energy drift too large 6.00947711161932 - 13.4096161189907 split increased to 2 itime 999302 + acceleration/energy drift too large 7.59241911177075 + 26.9930930179384 split increased to 2 itime 995730 itsplit 1 Velocities reset to random values, time 199999.80 REMD synchro at 1000000 - ntwx_cache 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 + ntwx_cache 1 1 1 1 1 1 1 1 MIN ii_write= 1 writing restart at the end of run =================================== Timing =================================== - MD calculations setup: 3.90625E-03 - Energy & gradient evaluation: 3.78145E+02 + MD calculations setup: 1.56250E-02 + Energy & gradient evaluation: 3.34586E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 4.14180E+02 + MD steps: 3.56742E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 414.195312500000 sec + Total wall clock time 356.800781250000 sec diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB000.stat b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB000.stat index d886932..259cc92 100644 --- a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB000.stat +++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB000.stat @@ -1,101 +1,101 @@ - 0 0.00 25.637 656.859 682.496 0.00 1.000 0.000 0.308 8.665 232.592 250.000 7.001 0 - 10000 2000.00 19.440 -59.840 -40.400 2.70 0.500 0.632 0.254 1.454 176.371 250.000 6.700 0 - 20000 4000.00 32.995 -59.955 -26.960 2.73 0.500 0.650 0.316 1.727 299.343 250.000 6.316 0 - 30000 6000.00 26.564 -55.738 -29.174 2.74 0.429 0.667 0.273 1.516 241.002 250.000 6.659 0 - 40000 8000.00 29.437 -57.645 -28.208 2.80 0.429 0.600 0.294 1.137 267.065 250.000 6.967 0 - 50000 10000.00 22.150 -62.224 -40.073 2.77 0.357 0.643 0.318 2.018 200.961 250.000 6.744 0 - 60000 12000.00 25.992 -60.983 -34.991 3.01 0.571 0.579 0.278 1.843 235.817 250.000 6.996 0 - 70000 14000.00 26.919 -59.599 -32.680 2.89 0.286 0.714 0.201 1.972 244.222 250.000 6.907 0 - 80000 16000.00 27.112 -46.517 -19.405 2.74 0.429 0.647 0.294 1.056 245.974 250.000 6.663 0 - 90000 18000.00 21.684 -68.287 -46.603 2.59 0.429 0.667 0.270 0.790 196.730 250.000 6.696 0 - 100000 20000.00 20.912 -64.903 -43.991 2.55 0.286 0.692 0.276 1.056 189.723 250.000 6.569 0 - 110000 22000.00 31.382 -68.911 -37.529 2.56 0.357 0.737 0.316 2.415 284.710 250.000 6.459 0 - 120000 24000.00 28.143 -60.521 -32.377 2.84 0.214 0.769 0.374 2.772 255.332 250.000 6.976 0 - 130000 26000.00 28.471 -50.867 -22.396 2.72 0.286 0.733 0.273 2.120 258.307 250.000 6.660 0 - 140000 28000.00 22.261 -62.535 -40.274 2.63 0.429 0.647 0.249 0.970 201.964 250.000 6.909 0 - 150000 30000.00 31.068 -58.073 -27.004 3.37 0.286 0.714 0.240 1.958 281.868 250.000 6.696 0 - 160000 32000.00 23.887 -62.658 -38.771 2.68 0.500 0.533 0.276 1.438 216.714 250.000 6.857 0 - 170000 34000.00 28.482 -47.754 -19.272 2.13 0.643 0.471 0.278 2.346 258.402 250.000 6.706 0 - 180000 36000.00 20.292 -62.615 -42.322 2.58 0.429 0.647 0.345 1.383 184.102 250.000 6.837 0 - 190000 38000.00 18.744 -61.244 -42.500 2.66 0.429 0.600 0.294 1.688 170.055 250.000 6.859 0 - 200000 40000.00 23.813 -57.964 -34.151 2.49 0.571 0.500 0.301 1.685 216.044 250.000 6.713 0 - 210000 42000.00 24.802 -55.607 -30.805 2.98 0.357 0.667 0.303 3.039 225.015 260.000 6.665 0 - 220000 44000.00 28.424 -53.412 -24.989 2.63 0.357 0.583 0.261 1.933 257.875 260.000 6.610 0 - 230000 46000.00 25.425 -48.571 -23.146 2.78 0.214 0.727 0.227 1.417 230.667 260.000 7.005 0 - 240000 48000.00 15.530 -50.792 -35.262 3.14 0.357 0.667 0.264 1.930 140.899 260.000 6.975 0 - 250000 50000.00 26.932 -54.223 -27.292 2.79 0.500 0.562 0.324 1.236 244.338 260.000 6.645 0 - 260000 52000.00 24.679 -62.594 -37.915 2.90 0.357 0.688 0.273 1.920 223.898 260.000 6.545 0 - 270000 54000.00 28.816 -63.887 -35.071 2.65 0.357 0.667 0.342 0.883 261.431 260.000 6.704 0 - 280000 56000.00 24.744 -58.265 -33.521 2.69 0.357 0.688 0.293 1.682 224.486 260.000 6.596 0 - 290000 58000.00 24.027 -62.218 -38.191 2.84 0.429 0.625 0.284 2.531 217.985 260.000 6.588 0 - 300000 60000.00 24.806 -54.677 -29.871 3.02 0.286 0.714 0.273 2.150 225.051 260.000 6.899 0 - 310000 62000.00 23.237 -59.388 -36.151 2.71 0.500 0.533 0.252 2.661 210.817 250.000 7.063 0 - 320000 64000.00 18.134 -55.770 -37.636 3.15 0.286 0.692 0.245 1.159 164.524 250.000 7.031 0 - 330000 66000.00 23.843 -67.768 -43.925 2.81 0.571 0.556 0.290 1.564 216.314 250.000 6.606 0 - 340000 68000.00 25.785 -63.830 -38.045 2.53 0.429 0.647 0.286 0.905 233.937 250.000 6.436 0 - 350000 70000.00 20.577 -66.196 -45.620 2.83 0.357 0.688 0.287 0.671 186.682 250.000 6.634 0 - 360000 72000.00 22.730 -59.258 -36.527 2.98 0.286 0.778 0.313 2.123 206.221 250.000 6.516 0 - 370000 74000.00 25.812 -65.371 -39.558 3.05 0.357 0.643 0.260 1.230 234.182 250.000 6.966 0 - 380000 76000.00 20.724 -64.931 -44.206 2.76 0.214 0.824 0.273 1.462 188.023 250.000 6.489 0 - 390000 78000.00 20.693 -50.401 -29.708 2.63 0.286 0.714 0.247 1.637 187.738 250.000 6.655 0 - 400000 80000.00 19.695 -59.772 -40.077 2.55 0.500 0.588 0.337 5.011 178.682 250.000 6.765 0 - 410000 82000.00 31.718 -61.434 -29.716 2.57 0.357 0.722 0.258 0.806 287.759 260.000 6.843 0 - 420000 84000.00 27.908 -48.341 -20.433 2.61 0.357 0.667 0.312 2.469 253.196 260.000 7.187 0 - 430000 86000.00 31.342 -54.132 -22.791 2.70 0.214 0.786 0.279 2.222 284.349 260.000 6.668 0 - 440000 88000.00 21.942 -57.930 -35.988 2.69 0.357 0.667 0.285 1.527 199.067 260.000 6.472 0 - 450000 90000.00 26.895 -61.438 -34.542 3.23 0.357 0.667 0.300 2.198 244.007 260.000 6.732 0 - 460000 92000.00 33.124 -56.061 -22.937 2.49 0.357 0.667 0.306 0.845 300.516 260.000 6.538 0 - 470000 94000.00 26.446 -52.041 -25.594 2.78 0.429 0.700 0.311 2.625 239.934 260.000 6.724 0 - 480000 96000.00 22.995 -59.778 -36.783 2.84 0.286 0.778 0.263 1.070 208.621 260.000 6.422 0 - 490000 98000.00 28.820 -58.175 -29.355 2.87 0.357 0.688 0.295 1.031 261.470 260.000 6.626 0 - 500000 100000.00 21.160 -40.660 -19.500 2.95 0.286 0.600 0.273 1.263 191.976 260.000 7.210 0 - 510000 102000.00 24.429 -44.881 -20.451 3.57 0.286 0.733 0.355 1.240 221.634 270.000 7.237 0 - 520000 104000.00 31.077 -44.934 -13.857 3.22 0.214 0.727 0.231 3.409 281.948 270.000 7.558 0 - 530000 106000.00 31.892 -45.326 -13.434 2.56 0.214 0.786 0.325 2.479 289.344 270.000 7.054 0 - 540000 108000.00 33.562 -30.228 3.334 3.11 0.286 0.636 0.351 3.573 304.494 270.000 7.308 0 - 550000 110000.00 29.714 -40.640 -10.926 2.96 0.357 0.583 0.277 1.975 269.583 270.000 6.814 0 - 560000 112000.00 27.776 -46.464 -18.688 3.24 0.357 0.667 0.352 2.016 251.998 270.000 6.829 0 - 570000 114000.00 27.644 -47.823 -20.178 2.57 0.357 0.737 0.364 2.127 250.804 270.000 6.782 0 - 580000 116000.00 25.395 -49.589 -24.194 2.79 0.286 0.750 0.321 1.228 230.400 270.000 6.876 0 - 590000 118000.00 26.691 -49.438 -22.747 2.10 0.357 0.706 0.337 1.329 242.152 270.000 6.529 0 - 600000 120000.00 28.327 -55.462 -27.135 2.77 0.357 0.706 0.313 1.005 257.001 270.000 6.925 0 - 610000 122000.00 27.847 -49.234 -21.387 3.03 0.286 0.692 0.294 2.319 252.642 260.000 6.530 0 - 620000 124000.00 19.511 -50.797 -31.286 3.09 0.429 0.667 0.336 1.626 177.013 260.000 6.548 0 - 630000 126000.00 25.973 -51.778 -25.806 3.23 0.357 0.722 0.265 2.200 235.639 260.000 6.568 0 - 640000 128000.00 25.887 -58.269 -32.382 2.06 0.571 0.636 0.306 1.347 234.857 260.000 6.609 0 - 650000 130000.00 21.363 -55.887 -34.524 2.96 0.357 0.583 0.201 1.024 193.815 260.000 6.785 0 - 660000 132000.00 33.884 -45.919 -12.035 4.07 0.286 0.733 0.194 1.046 307.416 260.000 7.332 0 - 670000 134000.00 23.524 -57.083 -33.558 2.36 0.357 0.667 0.306 1.144 213.424 260.000 6.519 0 - 680000 136000.00 26.367 -57.740 -31.372 2.51 0.286 0.667 0.322 1.246 239.219 260.000 6.809 0 - 690000 138000.00 19.597 -55.669 -36.072 2.71 0.214 0.786 0.295 1.585 177.791 260.000 6.792 0 - 700000 140000.00 29.572 -53.911 -24.339 2.10 0.286 0.667 0.311 1.273 268.294 260.000 6.942 0 - 710000 142000.00 28.767 -52.597 -23.830 2.44 0.357 0.737 0.242 1.072 260.985 260.000 6.866 0 - 720000 144000.00 34.820 -56.789 -21.969 2.51 0.286 0.667 0.284 1.435 315.903 260.000 6.755 0 - 730000 146000.00 26.232 -49.675 -23.443 2.73 0.286 0.556 0.333 1.246 237.987 260.000 7.224 0 - 740000 148000.00 24.472 -54.412 -29.940 2.61 0.500 0.562 0.392 1.898 222.023 260.000 7.122 0 - 750000 150000.00 27.129 -55.520 -28.391 2.46 0.286 0.636 0.322 1.719 246.129 260.000 7.012 0 - 760000 152000.00 22.065 -57.330 -35.265 2.75 0.357 0.545 0.277 1.215 200.182 260.000 7.387 0 - 770000 154000.00 23.076 -40.019 -16.943 2.58 0.286 0.500 0.307 3.232 209.360 260.000 6.984 0 - 780000 156000.00 26.573 -50.956 -24.383 2.64 0.643 0.500 0.303 1.184 241.085 260.000 6.731 0 - 790000 158000.00 24.457 -56.938 -32.481 3.13 0.357 0.643 0.266 1.316 221.886 260.000 6.755 0 - 800000 160000.00 26.564 -56.367 -29.803 2.88 0.357 0.615 0.220 1.709 241.003 260.000 7.004 0 - 810000 162000.00 26.351 -63.868 -37.517 2.73 0.429 0.684 0.285 2.013 239.072 250.000 6.596 0 - 820000 164000.00 22.211 -57.899 -35.688 2.88 0.429 0.684 0.313 1.226 201.511 250.000 6.533 0 - 830000 166000.00 21.249 -63.365 -42.116 2.86 0.500 0.611 0.290 1.547 192.783 250.000 6.448 0 - 840000 168000.00 21.192 -59.317 -38.125 2.79 0.286 0.733 0.300 0.920 192.266 250.000 6.459 0 - 850000 170000.00 29.431 -58.718 -29.287 2.66 0.429 0.714 0.318 2.111 267.012 250.000 6.438 0 - 860000 172000.00 19.548 -58.289 -38.740 2.91 0.143 0.867 0.264 1.494 177.352 250.000 6.763 0 - 870000 174000.00 27.294 -53.284 -25.990 2.89 0.357 0.706 0.342 1.848 247.629 250.000 6.744 0 - 880000 176000.00 24.401 -57.146 -32.744 2.66 0.500 0.588 0.230 1.308 221.380 250.000 6.902 0 - 890000 178000.00 22.615 -57.932 -35.316 2.74 0.429 0.700 0.368 1.581 205.176 250.000 6.330 0 - 900000 180000.00 24.118 -59.417 -35.299 2.61 0.357 0.643 0.253 1.345 218.815 250.000 6.594 0 - 910000 182000.00 17.136 -62.718 -45.582 2.75 0.500 0.611 0.237 0.924 155.467 250.000 6.513 0 - 920000 184000.00 21.696 -57.978 -36.282 2.92 0.357 0.667 0.273 0.820 196.839 250.000 6.798 0 - 930000 186000.00 27.933 -50.211 -22.278 3.78 0.071 0.900 0.227 2.363 253.423 250.000 7.169 0 - 940000 188000.00 23.113 -49.162 -26.049 3.11 0.286 0.692 0.262 1.282 209.695 250.000 6.895 0 - 950000 190000.00 27.120 -66.226 -39.105 3.16 0.500 0.611 0.268 1.209 246.050 250.000 6.845 0 - 960000 192000.00 22.279 -53.012 -30.734 3.08 0.286 0.692 0.297 1.321 202.122 250.000 7.007 0 - 970000 194000.00 29.431 -58.516 -29.085 4.70 0.286 0.765 0.273 1.635 267.017 250.000 6.802 0 - 980000 196000.00 23.465 -60.165 -36.700 4.69 0.357 0.643 0.224 0.789 212.891 250.000 6.787 0 - 990000 198000.00 29.071 -56.115 -27.044 4.49 0.143 0.833 0.303 2.101 263.746 250.000 6.674 0 - 1000000 200000.00 25.540 -52.160 -26.621 5.18 0.429 0.625 0.270 1.840 231.710 250.000 7.086 0 + 0 0.00 25.637 654.580 680.217 0.00 1.000 0.000 0.308 8.715 232.592 250.000 7.001 0 + 10000 2000.00 20.899 -68.416 -47.517 2.02 0.643 0.526 0.330 1.052 189.602 250.000 6.341 0 + 20000 4000.00 32.392 -53.892 -21.500 2.96 0.286 0.600 0.273 2.153 293.879 250.000 6.303 0 + 30000 6000.00 30.247 -65.613 -35.366 2.29 0.643 0.625 0.350 1.902 274.417 250.000 6.252 0 + 40000 8000.00 23.578 -63.017 -39.439 2.76 0.500 0.667 0.277 2.240 213.912 250.000 6.102 0 + 50000 10000.00 24.245 -65.510 -41.265 1.82 0.429 0.625 0.256 2.495 219.959 250.000 6.706 0 + 60000 12000.00 26.138 -63.583 -37.445 2.95 0.357 0.667 0.200 1.967 237.139 250.000 6.836 0 + 70000 14000.00 26.767 -64.002 -37.235 2.45 0.500 0.500 0.231 1.735 242.848 250.000 6.845 0 + 80000 16000.00 29.481 -64.472 -34.991 2.68 0.714 0.333 0.267 1.759 267.470 250.000 6.426 0 + 90000 18000.00 22.182 -67.994 -45.812 2.63 0.500 0.667 0.325 1.270 201.249 250.000 6.162 0 + 100000 20000.00 22.450 -67.478 -45.029 2.16 0.500 0.650 0.295 1.427 203.678 250.000 6.301 0 + 110000 22000.00 23.975 -56.576 -32.600 2.52 0.286 0.765 0.334 2.379 217.516 250.000 6.187 0 + 120000 24000.00 29.779 -63.544 -33.765 2.22 0.500 0.611 0.293 1.701 270.175 250.000 6.562 0 + 130000 26000.00 25.283 -59.345 -34.062 2.62 0.500 0.650 0.336 2.317 229.383 250.000 6.340 0 + 140000 28000.00 26.896 -65.989 -39.093 1.79 0.643 0.471 0.286 1.469 244.014 250.000 6.459 0 + 150000 30000.00 26.749 -61.351 -34.602 1.84 0.571 0.467 0.264 0.929 242.683 250.000 6.528 0 + 160000 32000.00 23.490 -66.684 -43.194 2.21 0.429 0.538 0.231 1.282 213.109 250.000 6.918 0 + 170000 34000.00 32.681 -60.062 -27.380 2.73 0.286 0.714 0.269 1.751 296.500 250.000 6.335 0 + 180000 36000.00 19.821 -59.891 -40.071 2.24 0.286 0.692 0.336 1.302 179.826 250.000 6.491 0 + 190000 38000.00 23.062 -52.329 -29.268 3.94 0.357 0.583 0.189 1.474 209.226 250.000 7.319 0 + 200000 40000.00 22.709 -64.752 -42.043 3.36 0.357 0.667 0.239 1.043 206.031 250.000 6.665 0 + 210000 42000.00 26.959 -49.783 -22.824 2.50 0.429 0.455 0.223 1.689 244.589 250.000 6.949 0 + 220000 44000.00 24.146 -49.014 -24.868 2.79 0.286 0.636 0.227 2.755 219.065 250.000 6.607 0 + 230000 46000.00 22.619 -64.181 -41.562 2.43 0.429 0.500 0.318 1.156 205.212 250.000 6.458 0 + 240000 48000.00 18.971 -55.449 -36.477 2.23 0.429 0.667 0.311 4.120 172.119 250.000 6.287 0 + 250000 50000.00 28.469 -60.126 -31.657 2.25 0.429 0.571 0.276 1.522 258.287 250.000 6.485 0 + 260000 52000.00 25.523 -71.944 -46.420 2.45 0.429 0.667 0.301 1.877 231.559 250.000 6.369 0 + 270000 54000.00 24.620 -64.244 -39.624 2.36 0.357 0.667 0.288 1.187 223.362 250.000 6.256 0 + 280000 56000.00 23.901 -59.549 -35.648 2.54 0.571 0.429 0.218 0.587 216.845 250.000 6.901 0 + 290000 58000.00 23.108 -69.317 -46.209 3.52 0.429 0.625 0.244 1.389 209.651 250.000 6.818 0 + 300000 60000.00 22.532 -63.798 -41.266 2.41 0.571 0.467 0.288 0.950 204.421 250.000 6.526 0 + 310000 62000.00 22.085 -49.119 -27.034 4.65 0.286 0.636 0.211 1.104 200.366 270.000 7.206 0 + 320000 64000.00 23.236 -64.591 -41.355 2.81 0.500 0.562 0.270 2.327 210.806 270.000 6.566 0 + 330000 66000.00 22.023 -56.703 -34.681 2.05 0.500 0.533 0.261 1.384 199.800 270.000 6.646 0 + 340000 68000.00 27.478 -58.881 -31.403 2.14 0.500 0.611 0.308 0.914 249.293 270.000 6.471 0 + 350000 70000.00 23.366 -53.294 -29.928 3.94 0.214 0.727 0.240 0.929 211.985 270.000 6.516 0 + 360000 72000.00 27.120 -54.524 -27.404 2.35 0.429 0.625 0.349 0.622 246.043 270.000 6.634 0 + 370000 74000.00 20.562 -55.727 -35.165 2.69 0.357 0.688 0.310 1.486 186.546 270.000 6.561 0 + 380000 76000.00 22.384 -43.859 -21.475 2.39 0.357 0.667 0.336 1.935 203.080 270.000 6.606 0 + 390000 78000.00 27.844 -54.588 -26.745 3.16 0.286 0.778 0.338 1.064 252.611 270.000 6.612 0 + 400000 80000.00 25.218 -50.521 -25.303 3.00 0.286 0.600 0.286 1.014 228.790 270.000 7.242 0 + 410000 82000.00 34.883 -37.191 -2.308 3.06 0.286 0.500 0.267 1.960 316.476 300.000 7.004 0 + 420000 84000.00 40.636 -40.194 0.442 7.89 0.357 0.444 0.232 1.301 368.669 300.000 10.330 0 + 430000 86000.00 31.264 -33.839 -2.575 4.44 0.214 0.500 0.144 1.286 283.643 300.000 8.638 0 + 440000 88000.00 29.261 -37.074 -7.814 3.12 0.357 0.615 0.353 2.196 265.467 300.000 6.436 0 + 450000 90000.00 28.527 -43.882 -15.356 4.58 0.143 0.833 0.303 1.160 258.809 300.000 7.045 0 + 460000 92000.00 38.508 -37.156 1.352 3.59 0.143 0.818 0.351 1.046 349.365 300.000 6.859 0 + 470000 94000.00 29.817 -36.871 -7.054 4.38 0.357 0.688 0.349 1.679 270.514 300.000 6.398 0 + 480000 96000.00 26.227 -36.083 -9.856 6.61 0.143 0.800 0.223 3.295 237.944 300.000 7.289 0 + 490000 98000.00 35.697 -23.699 11.998 3.28 0.143 0.800 0.368 2.108 323.859 300.000 6.841 0 + 500000 100000.00 26.094 -44.821 -18.727 1.86 0.571 0.500 0.324 1.166 236.740 300.000 6.837 0 + 510000 102000.00 24.399 -39.651 -15.252 3.84 0.286 0.778 0.326 1.291 221.364 290.000 6.494 0 + 520000 104000.00 33.469 -48.585 -15.116 1.96 0.357 0.667 0.330 1.579 303.649 290.000 6.707 0 + 530000 106000.00 27.826 -51.725 -23.899 2.88 0.429 0.647 0.219 1.295 252.449 290.000 6.584 0 + 540000 108000.00 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250.000 6.626 1 - 760000 152000.00 27.993 -56.166 -28.174 3.27 0.500 0.562 0.276 0.873 253.963 250.000 7.322 1 - 770000 154000.00 24.104 -49.925 -25.821 3.05 0.357 0.722 0.311 1.829 218.684 250.000 6.656 1 - 780000 156000.00 31.654 -58.908 -27.254 2.82 0.357 0.615 0.273 1.859 287.179 250.000 6.682 1 - 790000 158000.00 19.535 -67.884 -48.348 2.76 0.357 0.643 0.286 1.658 177.234 250.000 6.666 1 - 800000 160000.00 33.450 -54.095 -20.645 2.57 0.429 0.625 0.349 1.485 303.477 250.000 6.921 1 - 810000 162000.00 24.047 -53.101 -29.054 2.67 0.429 0.647 0.321 1.568 218.167 260.000 6.773 1 - 820000 164000.00 26.146 -57.631 -31.486 2.60 0.357 0.615 0.231 2.196 237.208 260.000 6.946 1 - 830000 166000.00 25.741 -47.985 -22.244 3.04 0.286 0.714 0.211 1.169 233.538 260.000 7.059 1 - 840000 168000.00 24.798 -59.855 -35.058 2.66 0.357 0.688 0.318 2.272 224.976 260.000 6.767 1 - 850000 170000.00 25.483 -59.723 -34.240 2.64 0.214 0.812 0.364 2.186 231.193 260.000 6.598 1 - 860000 172000.00 25.066 -61.058 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a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB002.stat b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB002.stat index 0535650..1b40ff9 100644 --- a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB002.stat +++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB002.stat @@ -1,101 +1,101 @@ - 0 0.00 30.073 659.103 689.176 0.00 1.000 0.000 0.308 8.663 272.840 270.000 7.001 2 - 10000 2000.00 24.527 -39.603 -15.076 2.63 0.429 0.455 0.310 1.152 222.518 270.000 6.800 2 - 20000 4000.00 25.616 -34.594 -8.978 2.23 0.500 0.533 0.206 1.846 232.402 270.000 7.125 2 - 30000 6000.00 28.832 -40.057 -11.225 3.02 0.286 0.636 0.252 0.996 261.579 270.000 6.920 2 - 40000 8000.00 24.415 -41.073 -16.658 3.73 0.214 0.750 0.212 1.048 221.507 270.000 6.992 2 - 50000 10000.00 28.275 -24.212 4.063 4.00 0.286 0.733 0.285 2.341 256.526 270.000 6.921 2 - 60000 12000.00 27.928 -40.553 -12.624 5.02 0.143 0.818 0.326 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a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB004.stat +++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB004.stat @@ -1,101 +1,101 @@ - 0 0.00 26.956 661.560 688.516 0.00 1.000 0.000 0.308 8.661 244.559 290.000 7.001 4 - 10000 2000.00 28.476 -25.786 2.690 3.33 0.286 0.429 0.201 2.198 258.350 290.000 7.903 4 - 20000 4000.00 27.835 -28.526 -0.691 4.90 0.429 0.455 0.194 1.639 252.537 290.000 7.902 4 - 30000 6000.00 33.690 -37.596 -3.905 3.47 0.357 0.545 0.198 2.658 305.656 290.000 7.152 4 - 40000 8000.00 31.540 -42.522 -10.982 3.04 0.429 0.538 0.283 1.130 286.149 290.000 6.882 4 - 50000 10000.00 32.955 -31.350 1.605 3.38 0.214 0.750 0.250 1.288 298.984 290.000 6.864 4 - 60000 12000.00 22.621 -31.573 -8.953 3.00 0.143 0.714 0.234 0.973 205.226 290.000 7.327 4 - 70000 14000.00 26.857 -31.925 -5.068 4.36 0.286 0.556 0.328 1.750 243.657 290.000 7.556 4 - 80000 16000.00 27.647 -35.991 -8.344 4.69 0.214 0.700 0.218 1.575 250.824 290.000 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231.848 310.000 8.015 6 - 340000 68000.00 34.709 -28.182 6.526 4.55 0.286 0.429 0.292 1.570 314.896 310.000 7.586 6 - 350000 70000.00 38.093 -28.782 9.311 3.86 0.143 0.750 0.278 1.428 345.602 310.000 7.023 6 - 360000 72000.00 32.239 -25.171 7.068 6.57 0.143 0.714 0.234 2.383 292.490 310.000 7.175 6 - 370000 74000.00 36.248 -21.711 14.537 4.17 0.357 0.500 0.259 2.141 328.862 310.000 8.542 6 - 380000 76000.00 32.695 -30.410 2.285 3.91 0.143 0.778 0.313 4.187 296.627 310.000 7.286 6 - 390000 78000.00 28.078 -23.083 4.995 4.66 0.214 0.250 0.273 1.040 254.741 310.000 7.799 6 - 400000 80000.00 28.029 -25.319 2.710 4.56 0.214 0.571 0.227 1.831 254.294 310.000 7.504 6 - 410000 82000.00 28.478 -31.001 -2.523 4.63 0.286 0.750 0.412 1.585 258.364 300.000 6.574 6 - 420000 84000.00 26.597 -23.714 2.883 6.99 0.214 0.500 0.174 1.687 241.305 300.000 9.435 6 - 430000 86000.00 24.830 -36.787 -11.956 6.09 0.071 0.750 0.182 1.695 225.274 300.000 7.669 6 - 440000 88000.00 26.381 -13.716 12.665 4.23 0.143 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260000 52000.00 35.863 -25.234 10.629 6.61 0.143 0.667 0.220 1.290 325.368 320.000 7.495 7 + 270000 54000.00 36.463 -8.686 27.778 8.12 0.000 1.000 0.227 2.077 330.813 320.000 9.659 7 + 280000 56000.00 28.096 -25.216 2.880 4.21 0.071 0.800 0.345 1.760 254.903 320.000 7.696 7 + 290000 58000.00 42.677 -8.780 33.896 5.37 0.071 0.800 0.291 1.463 387.185 320.000 7.747 7 + 300000 60000.00 32.045 -17.976 14.069 7.76 0.071 0.800 0.236 1.515 290.730 320.000 8.847 7 + 310000 62000.00 30.482 -22.112 8.370 5.07 0.143 0.500 0.159 2.358 276.548 320.000 8.365 7 + 320000 64000.00 27.943 -27.348 0.594 5.97 0.214 0.727 0.355 1.218 253.511 320.000 6.965 7 + 330000 66000.00 31.846 -17.598 14.248 4.50 0.071 0.750 0.193 2.122 288.922 320.000 7.326 7 + 340000 68000.00 36.323 -20.991 15.333 7.15 0.214 0.625 0.199 1.791 329.544 320.000 10.208 7 + 350000 70000.00 28.789 -26.410 2.379 5.17 0.071 0.909 0.364 1.162 261.186 320.000 7.604 7 + 360000 72000.00 39.953 -33.460 6.493 4.57 0.357 0.444 0.268 1.662 362.475 320.000 7.365 7 + 370000 74000.00 35.763 -14.608 21.155 5.39 0.286 0.667 0.447 2.273 324.459 320.000 6.955 7 + 380000 76000.00 51.585 -12.169 39.416 5.68 0.143 0.750 0.216 2.518 468.003 320.000 8.190 7 + 390000 78000.00 21.256 -28.893 -7.637 5.12 0.071 0.909 0.483 1.430 192.841 320.000 6.772 7 + 400000 80000.00 27.450 -16.130 11.320 6.34 0.214 0.625 0.205 1.213 249.039 320.000 8.476 7 + 410000 82000.00 27.547 -36.179 -8.632 6.75 0.214 0.667 0.217 0.850 249.923 310.000 8.174 7 + 420000 84000.00 27.987 -38.802 -10.816 3.81 0.357 0.615 0.283 1.132 253.909 310.000 7.157 7 + 430000 86000.00 28.468 -39.649 -11.181 5.27 0.071 0.909 0.393 0.949 258.276 310.000 6.814 7 + 440000 88000.00 28.832 -28.970 -0.138 4.86 0.143 0.750 0.352 1.132 261.579 310.000 6.523 7 + 450000 90000.00 27.383 -11.638 15.746 5.52 0.000 1.000 0.182 1.946 248.434 310.000 9.608 7 + 460000 92000.00 28.621 -40.719 -12.098 2.50 0.500 0.533 0.282 1.105 259.664 310.000 6.927 7 + 470000 94000.00 31.257 -44.830 -13.573 4.18 0.357 0.545 0.364 0.611 283.577 310.000 6.859 7 + 480000 96000.00 32.024 -35.403 -3.379 3.92 0.286 0.692 0.416 1.137 290.541 310.000 6.745 7 + 490000 98000.00 30.891 -29.554 1.337 2.63 0.500 0.562 0.224 2.910 280.255 310.000 6.516 7 + 500000 100000.00 35.793 -36.205 -0.412 4.16 0.214 0.571 0.429 2.457 324.731 310.000 7.329 7 + 510000 102000.00 34.385 -32.742 1.643 2.89 0.429 0.571 0.318 1.894 311.956 320.000 7.076 7 + 520000 104000.00 35.425 -25.592 9.832 4.57 0.143 0.714 0.227 1.801 321.391 320.000 7.670 7 + 530000 106000.00 29.944 -19.968 9.976 5.74 0.214 0.571 0.312 2.206 271.669 320.000 6.741 7 + 540000 108000.00 27.743 -17.007 10.736 4.83 0.143 0.600 0.236 4.260 251.698 320.000 8.287 7 + 550000 110000.00 27.960 -33.940 -5.980 4.36 0.143 0.818 0.430 1.293 253.669 320.000 7.926 7 + 560000 112000.00 23.946 -36.513 -12.567 3.86 0.286 0.692 0.357 1.726 217.254 320.000 7.749 7 + 570000 114000.00 34.870 -19.313 15.557 3.89 0.214 0.571 0.208 2.720 316.359 320.000 8.050 7 + 580000 116000.00 31.303 -36.528 -5.225 5.02 0.214 0.700 0.364 2.159 283.996 320.000 6.819 7 + 590000 118000.00 34.992 -24.112 10.880 3.64 0.286 0.500 0.227 2.147 317.466 320.000 7.295 7 + 600000 120000.00 44.624 -29.244 15.379 3.52 0.214 0.667 0.273 2.388 404.848 320.000 6.684 7 + 610000 122000.00 29.860 -19.776 10.084 6.77 0.286 0.500 0.170 1.702 270.901 310.000 9.298 7 + 620000 124000.00 27.307 -49.646 -22.340 2.32 0.714 0.500 0.309 1.578 247.739 310.000 6.721 7 + 630000 126000.00 25.136 -35.097 -9.961 3.94 0.357 0.583 0.311 2.973 228.044 310.000 7.186 7 + 640000 128000.00 34.269 -33.674 0.596 2.91 0.143 0.800 0.359 2.243 310.907 310.000 6.722 7 + 650000 130000.00 46.694 -33.891 12.803 2.12 0.357 0.500 0.336 1.117 423.635 310.000 6.884 7 + 660000 132000.00 32.896 -37.112 -4.215 3.11 0.429 0.571 0.325 2.794 298.453 310.000 6.553 7 + 670000 134000.00 28.327 -33.615 -5.288 3.55 0.286 0.500 0.153 0.933 256.993 310.000 7.719 7 + 680000 136000.00 34.398 -36.769 -2.371 4.38 0.143 0.778 0.313 2.140 312.072 310.000 7.424 7 + 690000 138000.00 31.417 -32.508 -1.091 5.04 0.214 0.727 0.264 3.033 285.031 310.000 7.618 7 + 700000 140000.00 25.326 -24.928 0.399 3.77 0.214 0.700 0.395 2.830 229.773 310.000 7.125 7 + 710000 142000.00 31.449 -22.929 8.520 5.65 0.286 0.429 0.156 1.001 285.318 300.000 9.340 7 + 720000 144000.00 23.813 -24.256 -0.443 4.51 0.286 0.556 0.192 3.149 216.045 300.000 7.906 7 + 730000 146000.00 32.132 -34.073 -1.941 3.46 0.143 0.714 0.195 2.762 291.522 300.000 7.838 7 + 740000 148000.00 35.102 -52.127 -17.024 2.69 0.500 0.500 0.328 1.670 318.467 300.000 6.494 7 + 750000 150000.00 27.019 -47.717 -20.698 3.85 0.286 0.714 0.289 1.130 245.128 300.000 6.478 7 + 760000 152000.00 28.991 -42.663 -13.672 3.97 0.214 0.786 0.341 1.822 263.022 300.000 7.209 7 + 770000 154000.00 27.254 -34.672 -7.418 3.68 0.143 0.778 0.399 1.575 247.261 300.000 6.739 7 + 780000 156000.00 25.773 -42.512 -16.738 3.67 0.286 0.692 0.252 2.470 233.830 300.000 7.028 7 + 790000 158000.00 23.646 -35.872 -12.226 2.39 0.429 0.538 0.350 2.160 214.533 300.000 7.067 7 + 800000 160000.00 24.385 -48.765 -24.380 2.27 0.714 0.444 0.323 2.422 221.232 300.000 6.498 7 + 810000 162000.00 26.501 -45.556 -19.056 2.43 0.286 0.600 0.286 2.644 240.427 290.000 6.962 7 + 820000 164000.00 29.431 -48.597 -19.166 2.40 0.571 0.600 0.336 2.276 267.016 290.000 6.405 7 + 830000 166000.00 30.712 -47.650 -16.938 2.56 0.357 0.545 0.331 2.097 278.638 290.000 6.940 7 + 840000 168000.00 32.903 -36.324 -3.422 2.93 0.286 0.636 0.186 1.440 298.511 290.000 7.455 7 + 850000 170000.00 29.214 -49.928 -20.714 2.78 0.429 0.625 0.321 1.067 265.044 290.000 7.278 7 + 860000 172000.00 28.713 -39.704 -10.991 6.64 0.143 0.833 0.227 1.470 260.496 290.000 7.451 7 + 870000 174000.00 36.333 -40.367 -4.034 5.56 0.500 0.417 0.174 1.144 329.629 290.000 8.263 7 + 880000 176000.00 35.647 -47.780 -12.133 3.46 0.429 0.538 0.301 1.089 323.405 290.000 6.883 7 + 890000 178000.00 18.637 -42.347 -23.709 3.72 0.357 0.722 0.298 1.814 169.086 290.000 6.638 7 + 900000 180000.00 34.568 -48.900 -14.332 1.80 0.286 0.600 0.191 2.009 313.620 290.000 6.877 7 + 910000 182000.00 33.832 -35.037 -1.205 2.92 0.357 0.583 0.227 1.953 306.942 290.000 7.437 7 + 920000 184000.00 25.392 -51.020 -25.627 2.60 0.500 0.611 0.356 2.343 230.370 290.000 6.386 7 + 930000 186000.00 25.013 -55.873 -30.860 2.62 0.286 0.778 0.331 1.408 226.934 290.000 6.415 7 + 940000 188000.00 23.509 -44.987 -21.478 2.60 0.571 0.385 0.220 2.918 213.286 290.000 7.236 7 + 950000 190000.00 28.112 -51.789 -23.677 3.39 0.500 0.500 0.351 1.549 255.048 290.000 6.591 7 + 960000 192000.00 31.126 -42.639 -11.514 6.72 0.357 0.583 0.193 1.350 282.387 290.000 8.249 7 + 970000 194000.00 20.116 -30.963 -10.847 6.06 0.071 0.667 0.152 1.137 182.506 290.000 8.579 7 + 980000 196000.00 25.629 -23.577 2.052 4.20 0.214 0.625 0.170 1.563 232.522 290.000 7.657 7 + 990000 198000.00 26.465 -37.492 -11.027 5.34 0.143 0.600 0.155 1.978 240.101 290.000 8.140 7 + 1000000 200000.00 30.949 -47.387 -16.438 4.67 0.214 0.786 0.308 1.482 280.783 290.000 6.925 7 diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_MD000.cx b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_MD000.cx index e1fb089..9cd0ef6 100644 Binary files a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_MD000.cx and b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_MD000.cx differ diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_mremd.rst b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_mremd.rst index ef0f953..e3021eb 100644 Binary files a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_mremd.rst and b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_mremd.rst differ diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/start.mat b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/start.mat index 838fbc8..07242bc 100755 --- a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/start.mat +++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/start.mat @@ -1,7 +1,6 @@ -#PBS -N Ber-gab +#PBS -N Ber-gab-REMD #PBS -q dque -#PBS -l nodes=2:ppn=8 -# #PBS -l mem=2gb +#PBS -l nodes=1:ppn=8 #PBS -l walltime=2:00:00 setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun " diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/unres.csh b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/unres.csh index bf4dafe..78c7f20 100755 --- a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/unres.csh +++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/unres.csh @@ -4,8 +4,7 @@ setenv POT GB setenv PREFIX 1L2Y_REMD setenv OUT1FILE YES #----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe +setenv UNRES_BIN /users/pk376/unres-git/unres/build/source/unres/src_MD/unres_ifort_MPICH_GAB.exe #----------------------------------------------------------------------------- setenv DD /users/pk376/unres-git/unres/PARAM setenv BONDPAR $DD/bond.parm @@ -14,9 +13,8 @@ setenv ROTPAR $DD/scgauss.parm setenv TORPAR $DD/torsion_631Gdp.parm setenv TORDPAR $DD/torsion_double_631Gdp.parm setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc +setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm setenv SCCORPAR $DD/sccor_pdb_shelly.dat setenv SCPPAR $DD/scp.parm setenv PATTERN $DD/patterns.cart