X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2FBerendsen%2Fff_gab%2F1L2Y_REMD.out_GB000;h=d098b8a5bbd6426828f27f026edf90e0f4339b18;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=54145ecc3c1a0c048acaf4bd6068284268f8e68c;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD.out_GB000 index 54145ec..d098b8a 100644 --- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD.out_GB000 +++ b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD.out_GB000 @@ -5,35 +5,41 @@ Output file : 1L2Y_REMD.out_GB000 Sidechain potential file : - /users/adam/unres//PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc - SCp potential file : /users/adam/unres//PARAM/scp.parm - Electrostatic potential file : /users/adam/unres//PARAM/electr_631Gdp.parm + /users/pk376/unres-git/unres/PARAM/sc_GB_opt.1e0g-52-17k-2k-newclass-shan1e9_ga + p8g-sc + SCp potential file : /users/pk376/unres-git/unres/PARAM/scp.parm + Electrostatic potential file : + /users/pk376/unres-git/unres/PARAM/electr_631Gdp.parm Cumulant coefficient file : - /users/adam/unres//PARAM/fourier_opt.parm.1igd_hc_iter3_3 - Torsional parameter file : /users/adam/unres//PARAM/torsion_631Gdp.parm + /users/pk376/unres-git/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/pk376/unres-git/unres/PARAM/torsion_631Gdp.parm Double torsional parameter file : - /users/adam/unres//PARAM/torsion_double_631Gdp.parm - SCCOR parameter file : /users/adam/unres//PARAM/rotcorr_AM1.parm - Bond & inertia constant file : /users/adam/unres//PARAM/bond.parm - Bending parameter file : /users/adam/unres//PARAM/thetaml.5parm - Rotamer parameter file : /users/adam/unres//PARAM/scgauss.parm - Threading database : /users/adam/unres//PARAM/patterns.cart + /users/pk376/unres-git/unres/PARAM/torsion_double_631Gdp.parm + SCCOR parameter file : /users/pk376/unres-git/unres/PARAM/sccor_pdb_shelly.dat + Bond & inertia constant file : /users/pk376/unres-git/unres/PARAM/bond.parm + Bending parameter file : + /users/pk376/unres-git/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/pk376/unres-git/unres/PARAM/scgauss.parm + Threading database : + /users/pk376/unres-git/unres/PARAM/patterns.cart -------------------------------------------------------------------------------- ******************************************************************************** United-residue force field calculation - parallel job. ******************************************************************************** ### LAST MODIFIED 03/28/12 23:29 by czarek ++++ Compile info ++++ - Version 2.5 build 62 - compiled Sun May 13 16:07:22 2012 - compiled by adam@matrix.chem.cornell.edu + Version 2.5 build 302 + compiled Mon Jul 23 17:42:12 2012 + compiled by jal47@matrix.chem.cornell.edu OS name: Linux OS release: 2.6.34.9-69.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 = -O3 -ip -w + 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 @@ -296,7 +302,7 @@ Replica exchange molecular dynamics (REMD) calculation. Calling chainbuild Calling REMD - MREMD 16 time before 1.171875000000000E-002 + MREMD 16 time before 2.343750000000000E-002 NREP= 16 i2rep 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 @@ -365,7 +371,7 @@ 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: - -1.347581050579500E-017 1.082148419404750E-017 4.083578941150001E-018 + 2.286804207044001E-017 1.061730524699000E-017 -3.266863152920001E-018 alpha-carbon coordinates centroid coordinates @@ -451,3186 +457,2856 @@ Initial: maximum acceleration 7.10627E-01 - Setup time 1.562500000000000E-002 - acceleration/energy drift too large 6.01872884619312 - 20.2592193938126 split increased to 2 itime 139 + Setup time 6.250000000000000E-002 + acceleration/energy drift too large 6.01872884623843 + 20.2592193941127 split increased to 2 itime 139 itsplit 1 - acceleration/energy drift too large 4.74983079650855 - 19.5228610395193 split increased to 2 itime 766 + acceleration/energy drift too large 5.27112114968694 + 24.5947094282993 split increased to 2 itime 811 itsplit 1 - acceleration/energy drift too large 2.42980134136891 - 12.0406014227438 split increased to 2 itime 814 + acceleration/energy drift too large 4.11749741993015 + 10.0233573756981 split increased to 2 itime 812 itsplit 1 - acceleration/energy drift too large 2.72440113412620 - 19.5377049768865 split increased to 2 itime 1721 + acceleration/energy drift too large 6.78156239205624 + 46.6376162381685 split increased to 2 itime 1036 itsplit 1 - acceleration/energy drift too large 3.15919805676186 - 13.6416206054045 split increased to 2 itime 2159 + acceleration/energy drift too large 9.31079499697821 + 31.7226708145899 split increased to 2 itime 2891 itsplit 1 - acceleration/energy drift too large 4.49925170174960 - 12.6486736453362 split increased to 2 itime 2764 + acceleration/energy drift too large 6.21988967563635 + 16.7074784854902 split increased to 2 itime 3759 itsplit 1 - acceleration/energy drift too large 4.96902320146049 - 15.8249185775960 split increased to 2 itime 2803 + acceleration/energy drift too large 1.80361188606243 + 12.1415737284860 split increased to 2 itime 4945 itsplit 1 - acceleration/energy drift too large 3.86936220846959 - 19.0168887838164 split increased to 2 itime 3803 + acceleration/energy drift too large 5.12402735643209 + 29.4650551506901 split increased to 2 itime 5095 itsplit 1 - acceleration/energy drift too large 7.20491206720874 - 20.9721304471975 split increased to 2 itime 5165 + acceleration/energy drift too large 2.83404312115991 + 14.2652706563271 split increased to 2 itime 5279 itsplit 1 - acceleration/energy drift too large 2.84166893514261 - 10.1117521454467 split increased to 2 itime 6122 + acceleration/energy drift too large 3.34004923031108 + 13.9147219048335 split increased to 2 itime 5456 itsplit 1 - acceleration/energy drift too large 3.05143756190817 - 10.6364332980644 split increased to 2 itime 6901 + acceleration/energy drift too large 3.94199203323793 + 14.7105414366802 split increased to 2 itime 5684 itsplit 1 - acceleration/energy drift too large 7.70123589522393 - 23.7935036895577 split increased to 2 itime 7340 + acceleration/energy drift too large 4.58176126929386 + 18.9652642544041 split increased to 2 itime 6659 itsplit 1 -Velocities reset to random values, time 1999.80 - acceleration/energy drift too large 11.6354071599874 - 51.5009864640833 split increased to 2 itime 11808 + acceleration/energy drift too large 4.23308137134488 + 20.0605747926315 split increased to 2 itime 7737 itsplit 1 - acceleration/energy drift too large 5.28327594999131 - 11.1128643695182 split increased to 2 itime 12607 + acceleration/energy drift too large 5.69874662777226 + 13.1487157869994 split increased to 2 itime 8176 itsplit 1 - acceleration/energy drift too large 2.38140641277758 - 19.1079051686024 split increased to 2 itime 13445 + acceleration/energy drift too large 8.80799290368255 + 36.1731351413900 split increased to 2 itime 8328 itsplit 1 - acceleration/energy drift too large 12.2496712383343 - 64.9847489681614 split increased to 2 itime 13548 + acceleration/energy drift too large 4.83324003078720 + 10.4766940200828 split increased to 2 itime 8736 itsplit 1 - acceleration/energy drift too large 7.44377174513165 - 22.7667228358058 split increased to 2 itime 13650 + acceleration/energy drift too large 2.74481026144746 + 15.5635977279567 split increased to 2 itime 9154 itsplit 1 - acceleration/energy drift too large 4.20125556520394 - 10.2171757103044 split increased to 2 itime 14207 +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 6.60707563004684 - 18.8934595483807 split increased to 2 itime 14677 + acceleration/energy drift too large 1.50316818806266 + 10.5002113048853 split increased to 2 itime 10590 itsplit 1 - acceleration/energy drift too large 7.45216174819551 - 24.4938606702042 split increased to 2 itime 15132 + acceleration/energy drift too large 5.43166515803004 + 13.9130864336143 split increased to 2 itime 11052 itsplit 1 - acceleration/energy drift too large 6.99505557934837 - 18.7047318940532 split increased to 2 itime 17282 + acceleration/energy drift too large 4.18833595053208 + 22.5560767264168 split increased to 2 itime 12025 itsplit 1 - acceleration/energy drift too large 2.23930018536109 - 11.7694706486093 split increased to 2 itime 18194 + acceleration/energy drift too large 5.05652196479640 + 14.4921485139768 split increased to 2 itime 13325 itsplit 1 -Velocities reset to random values, time 3999.80 - acceleration/energy drift too large 5.47563395191991 - 14.2572925849945 split increased to 2 itime 21244 + acceleration/energy drift too large 4.45939796981960 + 16.5366763212833 split increased to 2 itime 15176 itsplit 1 - acceleration/energy drift too large 3.62604081748416 - 17.0476062181967 split increased to 2 itime 21484 + acceleration/energy drift too large 2.65463078527267 + 16.4090157418096 split increased to 2 itime 16444 itsplit 1 - acceleration/energy drift too large 2.97846143694444 - 10.9929107295660 split increased to 2 itime 21624 + acceleration/energy drift too large 4.83718887683354 + 14.1174528410817 split increased to 2 itime 17097 itsplit 1 - acceleration/energy drift too large 9.48302167983757 - 45.8513332274356 split increased to 2 itime 22122 + acceleration/energy drift too large 6.31119970893411 + 16.8460396165817 split increased to 2 itime 19697 itsplit 1 - acceleration/energy drift too large 10.8638437029045 - 58.6303764307960 split increased to 2 itime 22356 + acceleration/energy drift too large 4.02987312329386 + 10.3471546915559 split increased to 2 itime 19819 itsplit 1 - acceleration/energy drift too large 2.54163811597567 - 13.2808399968031 split increased to 4 itime 22356 - itsplit 2 - acceleration/energy drift too large 5.07305132246483 - 24.6932332171085 split increased to 2 itime 23194 + acceleration/energy drift too large 3.99202782706859 + 10.0203344095428 split increased to 2 itime 19834 + 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 3.00493628697445 - 18.2020936055883 split increased to 2 itime 23501 + acceleration/energy drift too large 2.32814200502473 + 10.4235372979880 split increased to 4 itime 22438 itsplit 1 - acceleration/energy drift too large 4.78046968888152 - 16.3911739319017 split increased to 2 itime 24653 + acceleration/energy drift too large 6.04820859670261 + 17.2116778245396 split increased to 2 itime 22949 itsplit 1 - acceleration/energy drift too large 5.51863359670277 - 21.6434203108233 split increased to 2 itime 26334 + acceleration/energy drift too large 9.39321822080475 + 40.3009380499136 split increased to 2 itime 24190 itsplit 1 - acceleration/energy drift too large 3.96579870857696 - 13.8237246202860 split increased to 2 itime 26485 + acceleration/energy drift too large 12.2349397254060 + 65.3702132086642 split increased to 2 itime 25430 itsplit 1 - acceleration/energy drift too large 6.12828016734532 - 42.8971634541535 split increased to 2 itime 26752 + acceleration/energy drift too large 3.56592545350488 + 18.7333147770938 split increased to 2 itime 26054 itsplit 1 - acceleration/energy drift too large 4.11829826507824 - 15.5402866484302 split increased to 2 itime 26922 + acceleration/energy drift too large 4.94539499627627 + 11.7236757967914 split increased to 2 itime 27422 itsplit 1 - acceleration/energy drift too large 6.04002406527162 - 16.7055308519018 split increased to 2 itime 27690 + 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 itsplit 1 Velocities reset to random values, time 5999.80 - acceleration/energy drift too large 8.38660842869076 - 25.3591960594494 split increased to 2 itime 34178 + acceleration/energy drift too large 5.71322468319090 + 13.0840605575853 split increased to 2 itime 30269 + itsplit 1 + acceleration/energy drift too large 6.08204819236797 + 11.5030063880184 split increased to 2 itime 32467 + itsplit 1 + acceleration/energy drift too large 4.62814684819236 + 15.4269491395818 split increased to 2 itime 33071 itsplit 1 - acceleration/energy drift too large 10.9882246612523 - 58.7557177221095 split increased to 2 itime 36227 + acceleration/energy drift too large 4.70153961675083 + 13.2205867635956 split increased to 2 itime 37548 itsplit 1 - acceleration/energy drift too large 5.05659941681037 - 31.8337369644708 split increased to 2 itime 36265 + acceleration/energy drift too large 4.25311269514877 + 12.1931048233601 split increased to 2 itime 37870 itsplit 1 Velocities reset to random values, time 7999.80 - acceleration/energy drift too large 2.71434857030693 - 17.4163763879749 split increased to 2 itime 40190 + acceleration/energy drift too large 3.85720530076065 + 10.7533701949358 split increased to 2 itime 40923 itsplit 1 - acceleration/energy drift too large 4.30804696366580 - 13.8194511957359 split increased to 2 itime 42937 + acceleration/energy drift too large 4.70796821872959 + 10.0261038188810 split increased to 2 itime 42324 itsplit 1 - acceleration/energy drift too large 5.36273804328155 - 14.7019083967302 split increased to 2 itime 46432 + acceleration/energy drift too large 3.96818438961114 + 10.8885252102699 split increased to 2 itime 42612 itsplit 1 - acceleration/energy drift too large 5.21978786131259 - 30.1432910261118 split increased to 2 itime 46504 + acceleration/energy drift too large 4.09393162352054 + 11.5790376309746 split increased to 2 itime 43050 itsplit 1 - acceleration/energy drift too large 3.99436874867100 - 13.2783035079613 split increased to 2 itime 48239 + acceleration/energy drift too large 4.11712862523380 + 11.0072201435151 split increased to 2 itime 44766 itsplit 1 -Velocities reset to random values, time 9999.80 - acceleration/energy drift too large 3.96343649671360 - 11.8225748608274 split increased to 2 itime 50401 + acceleration/energy drift too large 2.35382036918792 + 13.3099228493673 split increased to 2 itime 45474 + itsplit 1 + acceleration/energy drift too large 1.94630935135251 + 10.9177661801165 split increased to 2 itime 46476 itsplit 1 - acceleration/energy drift too large 3.50803757267449 - 12.7784136139136 split increased to 2 itime 51287 + acceleration/energy drift too large 2.06980925461797 + 11.8933888628329 split increased to 2 itime 47581 itsplit 1 - acceleration/energy drift too large 6.23134277699863 - 19.9603968582112 split increased to 2 itime 52940 + acceleration/energy drift too large 9.10461204955003 + 26.4122572834987 split increased to 2 itime 47995 itsplit 1 - acceleration/energy drift too large 6.51677331640127 - 19.0647823515166 split increased to 2 itime 53907 + acceleration/energy drift too large 7.65514960946350 + 16.0520658295329 split increased to 2 itime 48706 itsplit 1 - acceleration/energy drift too large 3.15503159133594 - 11.4554547415408 split increased to 2 itime 53908 + acceleration/energy drift too large 5.00524961909485 + 15.1658758532439 split increased to 2 itime 48825 itsplit 1 - acceleration/energy drift too large 6.84515553641081 - 14.3026941075444 split increased to 2 itime 54963 +Velocities reset to random values, time 9999.80 + acceleration/energy drift too large 4.96256603098756 + 18.3691428119523 split increased to 2 itime 51876 itsplit 1 - acceleration/energy drift too large 5.20299172981178 - 15.1228442011201 split increased to 2 itime 57697 + acceleration/energy drift too large 6.17016796366666 + 21.0175151708704 split increased to 2 itime 53149 itsplit 1 - acceleration/energy drift too large 3.30207550227888 - 23.1093744770291 split increased to 2 itime 58475 + acceleration/energy drift too large 5.29951934386337 + 31.9533628880177 split increased to 2 itime 53272 itsplit 1 - acceleration/energy drift too large 4.89942409120106 - 12.1031448388269 split increased to 2 itime 59227 + acceleration/energy drift too large 4.68375061639108 + 12.7060473695889 split increased to 2 itime 53395 itsplit 1 - acceleration/energy drift too large 3.17787244403120 - 16.4718673445683 split increased to 2 itime 59781 + acceleration/energy drift too large 3.20466394431315 + 19.7717416088959 split increased to 2 itime 53446 + itsplit 1 + acceleration/energy drift too large 4.85961281423604 + 11.0926402202715 split increased to 2 itime 54681 + itsplit 1 + acceleration/energy drift too large 4.14153258922024 + 12.0395465482629 split increased to 2 itime 56699 + itsplit 1 + acceleration/energy drift too large 2.72601920768183 + 12.3525016323719 split increased to 2 itime 58003 + itsplit 1 + acceleration/energy drift too large 6.55696556129599 + 14.2429255435316 split increased to 2 itime 58834 itsplit 1 Velocities reset to random values, time 11999.80 - acceleration/energy drift too large 6.97338281423259 - 17.1968575059626 split increased to 2 itime 65549 + 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 7.64008965585912 - 25.1540520977120 split increased to 2 itime 66999 + acceleration/energy drift too large 6.35545410294304 + 13.7955727228278 split increased to 2 itime 62315 itsplit 1 - acceleration/energy drift too large 9.86056027080071 - 44.9702180104463 split increased to 2 itime 67318 + acceleration/energy drift too large 3.84637140197231 + 15.8731664253529 split increased to 2 itime 62390 itsplit 1 - acceleration/energy drift too large 3.21827674595868 - 11.6977308236240 split increased to 2 itime 69680 + acceleration/energy drift too large 7.51463114258450 + 37.0097708173328 split increased to 2 itime 62628 + itsplit 1 + acceleration/energy drift too large 2.74527858013029 + 18.5089597227240 split increased to 2 itime 63937 + itsplit 1 + acceleration/energy drift too large 3.02629594123442 + 15.2557094699447 split increased to 2 itime 67453 + itsplit 1 + acceleration/energy drift too large 4.88402970109660 + 12.8773440495137 split increased to 2 itime 67756 itsplit 1 Velocities reset to random values, time 13999.80 - acceleration/energy drift too large 4.30731565909926 - 20.7967818934947 split increased to 2 itime 72030 + acceleration/energy drift too large 4.64262254089198 + 12.9253616962702 split increased to 2 itime 70092 + itsplit 1 + acceleration/energy drift too large 6.53041013165571 + 25.3486436718531 split increased to 2 itime 70359 + itsplit 1 + acceleration/energy drift too large 7.57807972570140 + 25.2793900559892 split increased to 2 itime 72857 itsplit 1 - acceleration/energy drift too large 7.83388976415359 - 26.1373163125412 split increased to 2 itime 72712 + acceleration/energy drift too large 9.29548902353072 + 42.5960306524631 split increased to 2 itime 72991 itsplit 1 - acceleration/energy drift too large 4.07923425251393 - 11.5761095281845 split increased to 2 itime 73293 + acceleration/energy drift too large 5.75244529897706 + 10.9510885251213 split increased to 2 itime 73642 itsplit 1 - acceleration/energy drift too large 7.07820634835438 - 25.5314618601109 split increased to 2 itime 75847 + acceleration/energy drift too large 11.4395965515086 + 60.0948035321383 split increased to 2 itime 74388 itsplit 1 - acceleration/energy drift too large 5.30631216749777 - 19.3819517361230 split increased to 2 itime 77813 + acceleration/energy drift too large 2.22631705367035 + 11.4713659959425 split increased to 2 itime 76683 itsplit 1 - acceleration/energy drift too large 4.90137388269755 - 21.9389523332814 split increased to 2 itime 78647 + acceleration/energy drift too large 9.84608215173027 + 34.3450966126282 split increased to 2 itime 77552 itsplit 1 - acceleration/energy drift too large 4.37302703630593 - 12.8814610195086 split increased to 2 itime 78761 + acceleration/energy drift too large 4.20929349125431 + 17.9775830371482 split increased to 2 itime 79436 + itsplit 1 + acceleration/energy drift too large 4.61379006684879 + 20.2989056521177 split increased to 2 itime 79589 itsplit 1 Velocities reset to random values, time 15999.80 - acceleration/energy drift too large 12.5793161019678 - 77.1606597567833 split increased to 2 itime 81690 + acceleration/energy drift too large 5.50108596343538 + 10.6878119019872 split increased to 2 itime 80008 itsplit 1 - acceleration/energy drift too large 14.1433369956199 - 83.7077947516374 split increased to 2 itime 81946 + acceleration/energy drift too large 2.37118338977475 + 10.3256968971107 split increased to 2 itime 81194 itsplit 1 - acceleration/energy drift too large 4.14781018166589 - 11.7223005932215 split increased to 2 itime 82378 + acceleration/energy drift too large 4.31667605360844 + 15.2052353631072 split increased to 2 itime 83700 itsplit 1 - acceleration/energy drift too large 2.59175652275193 - 10.0451105914574 split increased to 2 itime 84005 + acceleration/energy drift too large 4.82637085599304 + 23.3381873707151 split increased to 2 itime 84232 itsplit 1 - acceleration/energy drift too large 3.56050764257851 - 19.2265506063186 split increased to 2 itime 85523 + acceleration/energy drift too large 4.96954630655769 + 30.7957769669266 split increased to 2 itime 84269 itsplit 1 - acceleration/energy drift too large 2.57060234801271 - 11.5463540288606 split increased to 2 itime 85524 + acceleration/energy drift too large 3.85455979578227 + 13.9604757007354 split increased to 2 itime 84376 itsplit 1 - acceleration/energy drift too large 7.06696413701550 - 15.3165037672047 split increased to 2 itime 89847 + acceleration/energy drift too large 2.67927691395306 + 12.2165085498758 split increased to 2 itime 86011 itsplit 1 -Velocities reset to random values, time 17999.80 - acceleration/energy drift too large 10.2370360008905 - 48.8123972161011 split increased to 2 itime 94395 + acceleration/energy drift too large 2.91031747948615 + 13.1206077770531 split increased to 2 itime 86348 itsplit 1 - acceleration/energy drift too large 2.47298724447893 - 11.4227253581067 split increased to 4 itime 94395 - itsplit 2 - acceleration/energy drift too large 6.12282835799477 - 18.6950582486677 split increased to 2 itime 95973 + acceleration/energy drift too large 6.77072466643258 + 18.4549273126829 split increased to 2 itime 88337 itsplit 1 - acceleration/energy drift too large 7.53154738738746 - 26.9331387043654 split increased to 2 itime 96333 + acceleration/energy drift too large 5.03953151137243 + 12.7177514592325 split increased to 2 itime 89436 itsplit 1 - acceleration/energy drift too large 7.17138345743283 - 22.1398257918480 split increased to 2 itime 97687 +Velocities reset to random values, time 17999.80 + acceleration/energy drift too large 2.11777019420856 + 10.7749222926264 split increased to 2 itime 92164 + itsplit 1 + acceleration/energy drift too large 1.90319180289364 + 10.2714078201419 split increased to 2 itime 94344 itsplit 1 - acceleration/energy drift too large 5.39476831940613 - 14.6186292280039 split increased to 2 itime 98250 + acceleration/energy drift too large 4.49449982744576 + 16.6526232289962 split increased to 2 itime 98465 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 MIN ii_write= 1 - REMD gather times= 32.4570312500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 40.7031250000000 0.000000000000000E+000 + REMD writing rst time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.00000 1 -ACC 2 260.00000 1.00000 1 +ACC 1 250.00000 1.00000 1 +ACC 2 260.00000 0.00000 1 ACC 3 270.00000 1.00000 1 ACC 4 280.00000 1.00000 1 ACC 5 290.00000 1.00000 1 -ACC 6 300.00000 0.00000 1 -ACC 7 310.00000 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 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 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 5.51742436744485 - 14.0265976214885 split increased to 2 itime 100969 + acceleration/energy drift too large 4.35448070508831 + 13.8446433589411 split increased to 2 itime 100323 itsplit 1 - acceleration/energy drift too large 8.07631683553030 - 27.4157645268179 split increased to 2 itime 101211 - itsplit 1 - acceleration/energy drift too large 7.53875747318140 - 25.3328732954551 split increased to 2 itime 108352 - itsplit 1 -Velocities reset to random values, time 21999.80 - acceleration/energy drift too large 9.39240083505564 - 39.4249240389017 split increased to 2 itime 110190 + acceleration/energy drift too large 9.10122520864291 + 38.0141323325797 split increased to 2 itime 103166 itsplit 1 - acceleration/energy drift too large 4.76024818679591 - 30.4924635834113 split increased to 2 itime 110638 + acceleration/energy drift too large 7.33321494991676 + 17.4365905621355 split increased to 2 itime 103334 itsplit 1 - acceleration/energy drift too large 1.31288243287358 - 10.8527620928399 split increased to 2 itime 110639 + acceleration/energy drift too large 4.03416178930275 + 14.7407403165802 split increased to 2 itime 104813 itsplit 1 - acceleration/energy drift too large 6.81636183959539 - 33.1184415378304 split increased to 2 itime 112145 + acceleration/energy drift too large 5.07776178961767 + 24.5089488434180 split increased to 2 itime 107051 itsplit 1 - acceleration/energy drift too large 3.98665078701864 - 21.8401031536524 split increased to 2 itime 112531 + acceleration/energy drift too large 5.83433628505584 + 11.0882735379548 split increased to 2 itime 107519 itsplit 1 - acceleration/energy drift too large 2.30301545304386 - 13.1975597100287 split increased to 2 itime 112566 + acceleration/energy drift too large 2.58209681131064 + 16.9909667876258 split increased to 2 itime 107763 itsplit 1 - acceleration/energy drift too large 5.77055810298729 - 20.6058094052798 split increased to 2 itime 115260 + acceleration/energy drift too large 4.83068352453098 + 17.4988377320686 split increased to 2 itime 107878 itsplit 1 - acceleration/energy drift too large 4.92220818641102 - 11.3454156652110 split increased to 2 itime 115909 + acceleration/energy drift too large 4.32781910400729 + 19.6525957626685 split increased to 2 itime 108393 itsplit 1 - acceleration/energy drift too large 2.14761338786285 - 11.1477590847579 split increased to 2 itime 117210 + acceleration/energy drift too large 4.92725474578742 + 27.3936140459521 split increased to 2 itime 108690 itsplit 1 - acceleration/energy drift too large 5.23498360872986 - 27.0934886945752 split increased to 2 itime 119472 + acceleration/energy drift too large 6.04694829592555 + 14.0820008455919 split increased to 2 itime 108824 itsplit 1 - acceleration/energy drift too large 4.11585782105189 - 11.4508735593269 split increased to 2 itime 119533 +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 -Velocities reset to random values, time 23999.80 - acceleration/energy drift too large 2.43798570374047 - 11.1861669030335 split increased to 2 itime 120113 + acceleration/energy drift too large 9.08574561915987 + 36.2334279426986 split increased to 2 itime 113795 itsplit 1 - acceleration/energy drift too large 11.7521488319802 - 61.7701860413211 split increased to 2 itime 123112 + acceleration/energy drift too large 2.85772593867820 + 20.5985997257337 split increased to 2 itime 115172 itsplit 1 - acceleration/energy drift too large 2.53897053368932 - 11.3666539546643 split increased to 2 itime 125045 + acceleration/energy drift too large 5.63586016608634 + 13.3027742623851 split increased to 2 itime 115983 itsplit 1 - acceleration/energy drift too large 12.8387105719924 - 54.5120891554408 split increased to 2 itime 125202 + acceleration/energy drift too large 6.20811917219129 + 16.7692644070182 split increased to 2 itime 117311 itsplit 1 - acceleration/energy drift too large 10.9350899589753 - 56.2610284056609 split increased to 2 itime 125646 + acceleration/energy drift too large 7.62107699311359 + 30.3679961139096 split increased to 2 itime 117654 itsplit 1 - acceleration/energy drift too large 13.8303247530903 - 85.2058047271786 split increased to 2 itime 125879 +Velocities reset to random values, time 23999.80 + acceleration/energy drift too large 3.13359422976402 + 16.7704903423790 split increased to 2 itime 122162 itsplit 1 - acceleration/energy drift too large 4.20972635890044 - 11.7844987862646 split increased to 2 itime 126284 + acceleration/energy drift too large 5.39673707607405 + 12.4650082655816 split increased to 2 itime 125438 itsplit 1 - acceleration/energy drift too large 5.62409852785931 - 14.3089065432378 split increased to 2 itime 126902 + acceleration/energy drift too large 5.68067325824305 + 19.5477835104925 split increased to 2 itime 125841 itsplit 1 - acceleration/energy drift too large 11.6497884218717 - 61.8300321802005 split increased to 2 itime 127489 + acceleration/energy drift too large 5.28867228957150 + 12.8872218727007 split increased to 2 itime 126987 itsplit 1 - acceleration/energy drift too large 3.52041662786424 - 26.5497349239630 split increased to 2 itime 128825 + acceleration/energy drift too large 5.23392675566275 + 15.8307586052208 split increased to 2 itime 127635 itsplit 1 - acceleration/energy drift too large 9.91725669960011 - 48.0420317005275 split increased to 2 itime 129459 + acceleration/energy drift too large 4.22226038060222 + 11.4869896794526 split increased to 2 itime 128683 itsplit 1 Velocities reset to random values, time 25999.80 - acceleration/energy drift too large 6.33840263238366 - 19.8955965216626 split increased to 2 itime 131496 + acceleration/energy drift too large 10.2897108060629 + 47.2655773405908 split increased to 2 itime 131897 itsplit 1 - acceleration/energy drift too large 6.89779881849586 - 24.6361446985916 split increased to 2 itime 131719 + acceleration/energy drift too large 4.63961305374192 + 19.7877922019811 split increased to 2 itime 132475 itsplit 1 - acceleration/energy drift too large 8.64476537657602 - 38.5151251917489 split increased to 2 itime 135543 + acceleration/energy drift too large 3.79191474848373 + 11.2296364330073 split increased to 2 itime 133469 itsplit 1 - acceleration/energy drift too large 2.73210798461626 - 15.9427674606313 split increased to 2 itime 136208 + acceleration/energy drift too large 5.55808496076198 + 13.0888388315887 split increased to 2 itime 134208 itsplit 1 - acceleration/energy drift too large 3.99145270898172 - 23.1504394395399 split increased to 2 itime 137549 + acceleration/energy drift too large 3.40324385673822 + 10.9946173158140 split increased to 2 itime 135224 itsplit 1 - acceleration/energy drift too large 2.97411118249101 - 13.3313779276461 split increased to 2 itime 137550 + acceleration/energy drift too large 2.40033467565452 + 14.5839349222692 split increased to 2 itime 135587 itsplit 1 - acceleration/energy drift too large 7.34453895024246 - 23.0423555004243 split increased to 2 itime 138034 - itsplit 1 - acceleration/energy drift too large 4.13591996818445 - 13.7228637318129 split increased to 2 itime 139196 + acceleration/energy drift too large 2.20051529212891 + 12.1343147458011 split increased to 2 itime 137113 itsplit 1 Velocities reset to random values, time 27999.80 - acceleration/energy drift too large 5.27170590488248 - 15.8994715154301 split increased to 2 itime 141895 + acceleration/energy drift too large 1.51243590564560 + 10.4125643397107 split increased to 2 itime 141421 itsplit 1 - acceleration/energy drift too large 2.29549552314348 - 11.3527523827965 split increased to 2 itime 142335 + acceleration/energy drift too large 2.24851777080701 + 12.8862673504551 split increased to 2 itime 142525 itsplit 1 - acceleration/energy drift too large 2.80950075819075 - 17.5454765181910 split increased to 2 itime 146511 + acceleration/energy drift too large 1.86181300710243 + 11.9943618375029 split increased to 2 itime 143745 itsplit 1 - acceleration/energy drift too large 7.66979890644345 - 28.1269913668128 split increased to 2 itime 146571 + acceleration/energy drift too large 3.34931468736467 + 13.1747705305961 split increased to 2 itime 144553 itsplit 1 - acceleration/energy drift too large 1.83750482976047 - 11.2927046869647 split increased to 2 itime 147455 + acceleration/energy drift too large 5.45961170533437 + 16.3411696913215 split increased to 2 itime 145648 itsplit 1 - acceleration/energy drift too large 4.49097553734581 - 13.5025464597718 split increased to 2 itime 148360 + acceleration/energy drift too large 5.03682432677429 + 13.1728740518157 split increased to 2 itime 147537 itsplit 1 - acceleration/energy drift too large 12.7753819538135 - 67.2597458490523 split increased to 2 itime 149346 + acceleration/energy drift too large 2.94172430796647 + 10.6658719607246 split increased to 2 itime 148657 itsplit 1 Velocities reset to random values, time 29999.80 - acceleration/energy drift too large 3.13918770825019 - 12.9183895635247 split increased to 2 itime 150047 + acceleration/energy drift too large 3.36012645724516 + 18.2415358505736 split increased to 2 itime 150136 itsplit 1 - acceleration/energy drift too large 7.70495773801530 - 27.4202024361163 split increased to 2 itime 150578 + acceleration/energy drift too large 4.50367798267562 + 10.9513549551997 split increased to 2 itime 152854 itsplit 1 - acceleration/energy drift too large 4.50509674993982 - 12.6869728568690 split increased to 2 itime 151694 + acceleration/energy drift too large 6.64432852014870 + 23.2809343576262 split increased to 2 itime 154938 itsplit 1 - acceleration/energy drift too large 2.46122634502520 - 10.4875528280421 split increased to 2 itime 153958 + acceleration/energy drift too large 9.68701714425696 + 27.7131509314324 split increased to 2 itime 157526 itsplit 1 - acceleration/energy drift too large 3.30042271841076 - 11.7664919359739 split increased to 2 itime 154278 + acceleration/energy drift too large 5.02180381636210 + 15.2005372941025 split increased to 2 itime 158091 itsplit 1 - acceleration/energy drift too large 2.91433380110864 - 17.4391177991060 split increased to 2 itime 156449 + acceleration/energy drift too large 9.98212667355771 + 40.9197199265875 split increased to 2 itime 158606 itsplit 1 - acceleration/energy drift too large 2.65241760471706 - 15.3892689211646 split increased to 2 itime 157551 + 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 4.86481547725471 - 13.0337216522816 split increased to 2 itime 161291 + acceleration/energy drift too large 6.63677126385129 + 13.4519710405256 split increased to 2 itime 161183 itsplit 1 - acceleration/energy drift too large 4.67711534592990 - 19.5555895474847 split increased to 2 itime 161406 + acceleration/energy drift too large 9.02309977671454 + 43.4743141599911 split increased to 2 itime 162685 itsplit 1 - acceleration/energy drift too large 7.24277639005596 - 23.6959197447202 split increased to 2 itime 163001 + acceleration/energy drift too large 10.7477627647307 + 56.5206090523827 split increased to 2 itime 164614 itsplit 1 - acceleration/energy drift too large 7.16437989183504 - 32.4539908463105 split increased to 2 itime 165574 + acceleration/energy drift too large 4.37339566286833 + 11.9320848031680 split increased to 2 itime 164825 itsplit 1 - acceleration/energy drift too large 8.94832543499673 - 33.7422110303631 split increased to 2 itime 167127 + acceleration/energy drift too large 6.31903118179166 + 27.2735446963399 split increased to 2 itime 166474 itsplit 1 - acceleration/energy drift too large 2.40318050495548 - 12.9399160373974 split increased to 2 itime 168087 + acceleration/energy drift too large 9.56855466219324 + 41.3133616825764 split increased to 2 itime 166745 itsplit 1 - acceleration/energy drift too large 5.08619308531763 - 19.7772999197684 split increased to 2 itime 168216 + acceleration/energy drift too large 3.29687662847975 + 10.3954562349500 split increased to 2 itime 167046 itsplit 1 - acceleration/energy drift too large 8.28851386545201 - 31.6841420255888 split increased to 2 itime 168330 + acceleration/energy drift too large 9.29598597418801 + 41.1802372258857 split increased to 2 itime 167521 itsplit 1 - acceleration/energy drift too large 5.17352821027988 - 17.4815236076176 split increased to 2 itime 168639 + acceleration/energy drift too large 2.42206525721097 + 13.4448009896313 split increased to 2 itime 168510 itsplit 1 - acceleration/energy drift too large 2.66900352352891 - 15.7196773953528 split increased to 2 itime 169647 + 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 2.84582404833511 - 13.3758961875279 split increased to 2 itime 171732 + acceleration/energy drift too large 8.83122990483117 + 22.6521215967247 split increased to 2 itime 170303 itsplit 1 - acceleration/energy drift too large 4.37087753838403 - 11.9358322781346 split increased to 2 itime 173108 + acceleration/energy drift too large 9.21009913786138 + 37.6561438646460 split increased to 2 itime 170521 itsplit 1 - acceleration/energy drift too large 7.26616424956899 - 26.7344874442642 split increased to 2 itime 174105 + acceleration/energy drift too large 3.48739909254491 + 10.1034471242695 split increased to 2 itime 171396 itsplit 1 - acceleration/energy drift too large 2.91326123770430 - 17.0570957437834 split increased to 2 itime 174759 + acceleration/energy drift too large 6.98696370027955 + 23.8374696957620 split increased to 2 itime 171515 itsplit 1 - acceleration/energy drift too large 4.94938768193702 - 15.8387782647101 split increased to 2 itime 176274 + acceleration/energy drift too large 3.35531610328897 + 10.9981633001393 split increased to 2 itime 171580 itsplit 1 - acceleration/energy drift too large 2.40495213231953 - 11.3032965130233 split increased to 2 itime 177958 + acceleration/energy drift too large 8.07241169933481 + 39.9957178029709 split increased to 2 itime 172646 itsplit 1 - acceleration/energy drift too large 5.47005295188550 - 18.8364891836282 split increased to 2 itime 178041 + acceleration/energy drift too large 3.74425066749434 + 10.7421718827410 split increased to 2 itime 173898 itsplit 1 - acceleration/energy drift too large 4.32677806734398 - 14.0369541480040 split increased to 2 itime 179811 + acceleration/energy drift too large 4.09077031120363 + 20.4138189459720 split increased to 2 itime 174085 itsplit 1 -Velocities reset to random values, time 35999.80 - acceleration/energy drift too large 2.13713649414502 - 11.4238786773806 split increased to 2 itime 182294 + acceleration/energy drift too large 6.26747919763318 + 19.3655660658169 split increased to 2 itime 174385 + itsplit 1 + acceleration/energy drift too large 5.12079076084499 + 19.8211658321753 split increased to 2 itime 174408 itsplit 1 - acceleration/energy drift too large 3.63311417481270 - 10.9196211161612 split increased to 2 itime 182445 + acceleration/energy drift too large 11.6070059234368 + 56.7944264555530 split increased to 2 itime 174542 itsplit 1 - acceleration/energy drift too large 5.22807673884063 - 12.6896019176836 split increased to 2 itime 183672 + acceleration/energy drift too large 5.64271108431878 + 16.1575599927218 split increased to 2 itime 177089 itsplit 1 - acceleration/energy drift too large 3.97075634982625 - 10.8151470781805 split increased to 2 itime 184124 + acceleration/energy drift too large 5.92551738900429 + 26.4343943067627 split increased to 2 itime 177561 itsplit 1 - acceleration/energy drift too large 1.66428664666589 - 10.6981642972458 split increased to 2 itime 184576 + acceleration/energy drift too large 4.99199180829665 + 13.7084327060582 split increased to 2 itime 177843 itsplit 1 - acceleration/energy drift too large 3.19698191856337 - 15.6513406019465 split increased to 2 itime 187296 + acceleration/energy drift too large 4.32576336099416 + 12.1621048922766 split increased to 2 itime 178120 itsplit 1 - acceleration/energy drift too large 3.50528451775033 - 23.6957909486519 split increased to 2 itime 188215 + acceleration/energy drift too large 4.94170430783359 + 11.9934943440670 split increased to 2 itime 178559 itsplit 1 - acceleration/energy drift too large 7.70753601951289 - 25.5040547735754 split increased to 2 itime 188485 + acceleration/energy drift too large 4.63063674500056 + 15.2037357814957 split increased to 2 itime 179629 + 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 + itsplit 1 + acceleration/energy drift too large 7.59166874978070 + 16.9312036859759 split increased to 2 itime 185431 + 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 7.30201529134417 - 29.3612786650354 split increased to 2 itime 190097 + acceleration/energy drift too large 4.51385244779712 + 13.3188888785989 split increased to 2 itime 190291 + itsplit 1 + acceleration/energy drift too large 5.43517833888924 + 13.1128761945997 split increased to 2 itime 190475 itsplit 1 - acceleration/energy drift too large 2.97663403371506 - 10.5329409432660 split increased to 2 itime 192229 + acceleration/energy drift too large 6.61543911793257 + 18.7309363335260 split increased to 2 itime 191542 itsplit 1 - acceleration/energy drift too large 6.00102112501053 - 17.2545438006455 split increased to 2 itime 192358 + acceleration/energy drift too large 10.2079615199183 + 55.0917389987583 split increased to 2 itime 191713 itsplit 1 - acceleration/energy drift too large 7.11490690952608 - 23.9903146343609 split increased to 2 itime 193013 + acceleration/energy drift too large 9.54919131748580 + 53.1830142226373 split increased to 2 itime 193417 itsplit 1 - acceleration/energy drift too large 3.63050744544843 - 10.5030943717994 split increased to 2 itime 196768 + acceleration/energy drift too large 5.22498373776129 + 13.9161593831138 split increased to 2 itime 193823 itsplit 1 - acceleration/energy drift too large 4.38219369716297 - 12.4620798509392 split increased to 2 itime 198899 + acceleration/energy drift too large 4.90175789355778 + 17.9210202820440 split increased to 2 itime 195121 + itsplit 1 + acceleration/energy drift too large 5.02477140817033 + 15.0376588234653 split increased to 2 itime 195906 + itsplit 1 + acceleration/energy drift too large 7.29923138334724 + 23.1812204832951 split increased to 2 itime 195965 + itsplit 1 + acceleration/energy drift too large 5.71234101740440 + 28.1120096098226 split increased to 2 itime 196182 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 MIN ii_write= 1 - REMD gather times= 65.0585937500000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 81.4960937500000 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 1.00000 2 -ACC 3 270.00000 0.50000 2 -ACC 4 280.00000 1.00000 2 +ACC 2 260.00000 0.00000 2 +ACC 3 270.00000 1.00000 2 +ACC 4 280.00000 0.50000 2 ACC 5 290.00000 1.00000 2 -ACC 6 300.00000 0.50000 2 -ACC 7 310.00000 1.00000 2 -ACC 8 320.00000 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 0.50000 2 +ACC 14 380.00000 1.00000 2 ACC 15 390.00000 1.00000 2 - REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 4.12005598746506 - 26.8265104044733 split increased to 2 itime 201171 + 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 5.06408092657911 - 11.7619391109019 split increased to 2 itime 205881 + acceleration/energy drift too large 7.84893539743313 + 20.2866410836206 split increased to 2 itime 200971 itsplit 1 - acceleration/energy drift too large 3.95228704486008 - 10.7175271232026 split increased to 2 itime 205946 + acceleration/energy drift too large 8.61828598982526 + 31.2234501134643 split increased to 2 itime 200991 itsplit 1 - acceleration/energy drift too large 4.94083300177811 - 12.3070448407487 split increased to 2 itime 205981 + acceleration/energy drift too large 3.90898684769792 + 12.8182943612382 split increased to 2 itime 201106 itsplit 1 - acceleration/energy drift too large 14.0838944511248 - 77.7514175852990 split increased to 2 itime 207654 + acceleration/energy drift too large 4.99620821795401 + 31.4141118797693 split increased to 2 itime 202501 itsplit 1 - acceleration/energy drift too large 3.54383555671123 - 19.7659337009395 split increased to 4 itime 207654 - itsplit 2 - acceleration/energy drift too large 3.02034284515368 - 11.4558591427247 split increased to 2 itime 209866 + acceleration/energy drift too large 4.11614735585937 + 12.1594147833547 split increased to 2 itime 203548 itsplit 1 - acceleration/energy drift too large 4.17936302127454 - 20.4803767434982 split increased to 2 itime 209883 + acceleration/energy drift too large 8.21142321791518 + 27.3137190575929 split increased to 2 itime 203955 itsplit 1 -Velocities reset to random values, time 41999.80 - acceleration/energy drift too large 5.38994510406471 - 31.4907267266831 split increased to 2 itime 210052 + acceleration/energy drift too large 4.08842412054590 + 11.4467897768593 split increased to 2 itime 204624 itsplit 1 - acceleration/energy drift too large 11.1927643619579 - 51.3158581610119 split increased to 2 itime 211225 + acceleration/energy drift too large 2.91511126819742 + 10.4004748089627 split increased to 2 itime 204625 itsplit 1 - acceleration/energy drift too large 5.95818691696201 - 11.9755156929437 split increased to 2 itime 212943 + acceleration/energy drift too large 7.97609970177051 + 17.0341262811947 split increased to 2 itime 206420 itsplit 1 - acceleration/energy drift too large 5.85919212752276 - 15.1525322983036 split increased to 2 itime 215707 + acceleration/energy drift too large 3.93332263000041 + 10.8824839165261 split increased to 2 itime 206962 itsplit 1 - acceleration/energy drift too large 4.48717380378777 - 12.3899819649136 split increased to 2 itime 215726 + acceleration/energy drift too large 2.11294819353670 + 14.7854318315743 split increased to 2 itime 207256 itsplit 1 - acceleration/energy drift too large 4.41952874000882 - 15.9157891887456 split increased to 2 itime 218908 + acceleration/energy drift too large 4.44706169021173 + 14.5530567176186 split increased to 2 itime 208568 itsplit 1 - acceleration/energy drift too large 6.46389728068579 - 35.5873569666876 split increased to 2 itime 219156 + acceleration/energy drift too large 5.01020364970164 + 12.6036747656131 split increased to 2 itime 208643 itsplit 1 -Velocities reset to random values, time 43999.80 - acceleration/energy drift too large 4.91039207226218 - 15.4373257404077 split increased to 2 itime 220001 +Velocities reset to random values, time 41999.80 + acceleration/energy drift too large 5.78150176725295 + 33.3137796486345 split increased to 2 itime 212347 itsplit 1 - acceleration/energy drift too large 12.2732224302885 - 56.8079617618095 split increased to 2 itime 220627 + acceleration/energy drift too large 2.48833566613545 + 10.2949905328240 split increased to 2 itime 214105 itsplit 1 - acceleration/energy drift too large 4.81271719752747 - 11.3228740008231 split increased to 2 itime 220912 + acceleration/energy drift too large 3.64618927235946 + 18.7503821421103 split increased to 2 itime 214302 itsplit 1 - acceleration/energy drift too large 3.87447878159296 - 10.8293451507620 split increased to 2 itime 221383 + acceleration/energy drift too large 3.07400599095336 + 11.3383323166579 split increased to 2 itime 215814 itsplit 1 - acceleration/energy drift too large 5.26992023854901 - 13.6633658720417 split increased to 2 itime 223028 + acceleration/energy drift too large 4.42973008487847 + 20.3411262897984 split increased to 2 itime 216252 itsplit 1 - acceleration/energy drift too large 4.55885166032367 - 15.7150206068581 split increased to 2 itime 228478 + acceleration/energy drift too large 5.62920671173806 + 32.2983009905205 split increased to 2 itime 218037 itsplit 1 -Velocities reset to random values, time 45999.80 - acceleration/energy drift too large 4.68899252783469 - 11.4969623789216 split increased to 2 itime 230031 + acceleration/energy drift too large 5.45527892756425 + 21.9773808882954 split increased to 2 itime 219345 itsplit 1 - acceleration/energy drift too large 3.71894935396341 - 13.8702896011761 split increased to 2 itime 230039 + acceleration/energy drift too large 4.15721010187859 + 20.5697747905902 split increased to 2 itime 219966 itsplit 1 - acceleration/energy drift too large 5.81066197577871 - 14.7086713645803 split increased to 2 itime 230131 + acceleration/energy drift too large 5.33603019769579 + 30.3679010229435 split increased to 2 itime 219983 itsplit 1 - acceleration/energy drift too large 12.9775047589173 - 67.3033797903276 split increased to 2 itime 231674 +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 2.77913922606047 - 12.5678197461230 split increased to 4 itime 231674 - itsplit 2 - acceleration/energy drift too large 3.20590133189049 - 10.5492959576413 split increased to 2 itime 233247 + acceleration/energy drift too large 4.63244311550015 + 18.0541134191384 split increased to 2 itime 221403 itsplit 1 - acceleration/energy drift too large 3.05610414398999 - 12.0900579947977 split increased to 2 itime 233562 + acceleration/energy drift too large 13.1527124335790 + 77.1748219974411 split increased to 2 itime 222333 itsplit 1 - acceleration/energy drift too large 2.88486602699542 - 19.6125556144999 split increased to 2 itime 234697 + acceleration/energy drift too large 2.56016933409559 + 17.6552737911425 split increased to 2 itime 222334 itsplit 1 - acceleration/energy drift too large 3.01148604088687 - 10.6935522342608 split increased to 2 itime 235099 + acceleration/energy drift too large 7.40887283834941 + 30.7362315013208 split increased to 2 itime 222409 itsplit 1 - acceleration/energy drift too large 2.10638081681988 - 10.8366283051455 split increased to 2 itime 237838 + acceleration/energy drift too large 3.83870075950039 + 13.5024094254713 split increased to 2 itime 222526 itsplit 1 - acceleration/energy drift too large 4.92952713491473 - 11.6684361091211 split increased to 2 itime 238585 + acceleration/energy drift too large 2.97288409075136 + 12.0415711331916 split increased to 2 itime 223341 itsplit 1 -Velocities reset to random values, time 47999.80 - acceleration/energy drift too large 7.21492533794259 - 12.8010011198368 split increased to 2 itime 241924 + acceleration/energy drift too large 4.83229449875740 + 21.6789948138393 split increased to 2 itime 223849 itsplit 1 - acceleration/energy drift too large 4.95738912688542 - 14.9427641999267 split increased to 2 itime 242964 + acceleration/energy drift too large 6.29460704954891 + 45.4627654416730 split increased to 2 itime 224172 itsplit 1 - acceleration/energy drift too large 5.65263715961087 - 15.2728506186217 split increased to 2 itime 243369 + acceleration/energy drift too large 4.41765622249369 + 11.2907156327815 split increased to 2 itime 225102 itsplit 1 - acceleration/energy drift too large 5.60223112758211 - 14.2774720664666 split increased to 2 itime 243506 + acceleration/energy drift too large 4.17195687990816 + 16.4423114033335 split increased to 2 itime 225108 itsplit 1 - acceleration/energy drift too large 4.75963628894287 - 10.9806253137581 split increased to 2 itime 243638 + acceleration/energy drift too large 4.97740142086614 + 10.4943627686938 split increased to 2 itime 228677 itsplit 1 - acceleration/energy drift too large 6.15649019245663 - 14.7533307317650 split increased to 2 itime 243787 +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 5.12660551264934 - 12.1952853109267 split increased to 2 itime 243944 + acceleration/energy drift too large 3.84238305207740 + 15.3160425709751 split increased to 2 itime 233269 itsplit 1 - acceleration/energy drift too large 6.11038329995401 - 24.7509080548857 split increased to 2 itime 244108 + acceleration/energy drift too large 5.96490424978640 + 35.8849072535118 split increased to 2 itime 233417 itsplit 1 - acceleration/energy drift too large 8.00892300283006 - 20.0510330946193 split increased to 2 itime 244783 + acceleration/energy drift too large 0.969965490275774 + 15.0758079154002 split increased to 2 itime 233418 itsplit 1 - acceleration/energy drift too large 3.09642709300335 - 12.1087234656764 split increased to 2 itime 245969 + acceleration/energy drift too large 7.37427950936088 + 53.9441579641732 split increased to 2 itime 233886 itsplit 1 - acceleration/energy drift too large 5.31086637503857 - 16.2041290485040 split increased to 2 itime 246191 + acceleration/energy drift too large 9.41795446120100 + 46.6923483267551 split increased to 2 itime 234145 itsplit 1 - acceleration/energy drift too large 2.78714651707087 - 16.0413343086024 split increased to 2 itime 246386 + acceleration/energy drift too large 5.72509711572049 + 31.9842401234587 split increased to 2 itime 234299 itsplit 1 - acceleration/energy drift too large 8.58558639017791 - 33.1799985845112 split increased to 2 itime 247106 + acceleration/energy drift too large 5.04462270994681 + 11.9549114696995 split increased to 2 itime 236561 itsplit 1 - acceleration/energy drift too large 3.68699369121782 - 11.4027637890993 split increased to 2 itime 247395 + acceleration/energy drift too large 4.77591180817061 + 15.8503289913584 split increased to 2 itime 236970 itsplit 1 - acceleration/energy drift too large 3.15046881309695 - 17.2306592765123 split increased to 2 itime 248678 + acceleration/energy drift too large 9.56031823597878 + 38.5355027802804 split increased to 2 itime 237148 itsplit 1 -Velocities reset to random values, time 49999.80 - acceleration/energy drift too large 5.46590387894613 - 13.3773268869361 split increased to 2 itime 250995 + acceleration/energy drift too large 2.55298889382046 + 10.1810238981961 split increased to 4 itime 237148 itsplit 1 - acceleration/energy drift too large 3.51492400773143 - 11.4473208028156 split increased to 2 itime 252706 + acceleration/energy drift too large 5.07272249032121 + 16.1665416130016 split increased to 2 itime 237638 itsplit 1 - acceleration/energy drift too large 3.23179322206460 - 10.0465226493719 split increased to 2 itime 253636 + acceleration/energy drift too large 5.27519412971984 + 24.3386506952302 split increased to 2 itime 237641 itsplit 1 - acceleration/energy drift too large 3.18533944039498 - 10.8326218717861 split increased to 2 itime 254852 + acceleration/energy drift too large 3.76916747155580 + 19.3249777140934 split increased to 2 itime 238007 itsplit 1 - acceleration/energy drift too large 6.30916306134863 - 19.2201047617479 split increased to 2 itime 255716 + acceleration/energy drift too large 9.50976115289862 + 35.9477138344235 split increased to 2 itime 238272 itsplit 1 - acceleration/energy drift too large 6.22279756457394 - 18.8015833890690 split increased to 2 itime 258223 + acceleration/energy drift too large 8.52032923205173 + 36.0891822567616 split increased to 2 itime 238339 itsplit 1 - acceleration/energy drift too large 6.25892603292813 - 16.6726352776889 split increased to 2 itime 259428 + acceleration/energy drift too large 4.37531723947444 + 28.2163048638802 split increased to 2 itime 238549 itsplit 1 - acceleration/energy drift too large 2.50474128600706 - 13.2263060719779 split increased to 2 itime 259802 + acceleration/energy drift too large 5.83050845840029 + 62.0343502726120 split increased to 2 itime 238652 itsplit 1 -Velocities reset to random values, time 51999.80 - acceleration/energy drift too large 9.69887436108203 - 42.7700032444463 split increased to 2 itime 261389 + acceleration/energy drift too large 2.94147085871858 + 18.3006940499288 split increased to 2 itime 238653 itsplit 1 - acceleration/energy drift too large 4.92657874789024 - 15.2015454686545 split increased to 2 itime 266982 - itsplit 1 -Velocities reset to random values, time 53999.80 - acceleration/energy drift too large 4.28290698513165 - 11.2626559291463 split increased to 2 itime 270216 + acceleration/energy drift too large 5.10273834765773 + 13.3326960926028 split increased to 2 itime 238936 itsplit 1 - acceleration/energy drift too large 3.17009098471273 - 18.2859008425981 split increased to 2 itime 270908 + acceleration/energy drift too large 4.23402871458675 + 18.9050545180794 split increased to 2 itime 239782 itsplit 1 - acceleration/energy drift too large 2.88191663965288 - 12.7129664832895 split increased to 2 itime 271940 +Velocities reset to random values, time 47999.80 + acceleration/energy drift too large 3.23999938998729 + 12.9551205421106 split increased to 2 itime 240340 itsplit 1 - acceleration/energy drift too large 8.97953911000665 - 26.0449926061857 split increased to 2 itime 272989 + acceleration/energy drift too large 11.2944817033609 + 62.9989006860680 split increased to 2 itime 240342 itsplit 1 - acceleration/energy drift too large 5.75003682092487 - 11.1873394140884 split increased to 2 itime 273490 + acceleration/energy drift too large 3.60501336178358 + 11.5827695216757 split increased to 2 itime 240549 itsplit 1 - acceleration/energy drift too large 3.05900964176420 - 17.9989105583477 split increased to 2 itime 275687 + acceleration/energy drift too large 8.24479107287119 + 24.3249867142891 split increased to 2 itime 240788 itsplit 1 - acceleration/energy drift too large 5.26869415309939 - 26.6464975094380 split increased to 2 itime 276139 + acceleration/energy drift too large 5.78210270383508 + 16.4390937845794 split increased to 2 itime 241766 itsplit 1 - acceleration/energy drift too large 5.52160444042243 - 28.5629386407219 split increased to 2 itime 276533 + acceleration/energy drift too large 5.38095702852528 + 30.8541250240317 split increased to 2 itime 242631 itsplit 1 - acceleration/energy drift too large 3.89834398437638 - 20.7807709706583 split increased to 2 itime 276777 + acceleration/energy drift too large 3.17985646556209 + 10.6175984679630 split increased to 2 itime 242632 itsplit 1 - acceleration/energy drift too large 2.35929222026222 - 17.6330220639635 split increased to 2 itime 277586 + acceleration/energy drift too large 5.61402658474446 + 29.2120104128018 split increased to 2 itime 242875 itsplit 1 - acceleration/energy drift too large 5.92549302543821 - 19.5824021700537 split increased to 2 itime 278607 + acceleration/energy drift too large 4.43724922702687 + 22.4636384195783 split increased to 2 itime 246160 itsplit 1 - acceleration/energy drift too large 4.71335792340797 - 13.1077127549953 split increased to 2 itime 279037 + acceleration/energy drift too large 8.81223496649992 + 108.925008665967 split increased to 2 itime 246191 itsplit 1 - acceleration/energy drift too large 4.50657794062307 - 10.4004743921879 split increased to 2 itime 279999 + acceleration/energy drift too large 7.98152961526920 + 30.4264224879624 split increased to 2 itime 247522 itsplit 1 -Velocities reset to random values, time 55999.80 - acceleration/energy drift too large 6.31300669977864 - 20.4693652293443 split increased to 2 itime 281861 +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 4.42716634402676 - 18.9502705818514 split increased to 2 itime 283971 + acceleration/energy drift too large 4.52138789692115 + 19.8559420953666 split increased to 2 itime 250499 itsplit 1 - acceleration/energy drift too large 8.71768505261655 - 18.7027501102351 split increased to 2 itime 284880 + acceleration/energy drift too large 9.60363704417643 + 41.0002241451348 split increased to 2 itime 250515 itsplit 1 - acceleration/energy drift too large 3.01831173965245 - 13.1914074345964 split increased to 2 itime 288434 + acceleration/energy drift too large 6.81843958352194 + 61.9698421949207 split increased to 2 itime 251527 itsplit 1 - acceleration/energy drift too large 12.7044713738884 - 64.1380603119273 split increased to 2 itime 289056 + acceleration/energy drift too large 5.01191955199218 + 18.1865685157832 split increased to 2 itime 251799 itsplit 1 -Velocities reset to random values, time 57999.80 - acceleration/energy drift too large 6.05774672607343 - 18.6687610707199 split increased to 2 itime 290218 + acceleration/energy drift too large 7.14483123137104 + 20.7932850361492 split increased to 2 itime 252226 itsplit 1 - acceleration/energy drift too large 3.81058126314949 - 17.3394360112247 split increased to 2 itime 291486 + acceleration/energy drift too large 5.31798110030693 + 31.6961813232419 split increased to 2 itime 252461 itsplit 1 - acceleration/energy drift too large 2.10302834353525 - 10.7492353405089 split increased to 2 itime 291877 + acceleration/energy drift too large 4.15365906319537 + 12.2946056996686 split increased to 2 itime 252486 itsplit 1 - acceleration/energy drift too large 8.43843898824744 - 35.3222359656586 split increased to 2 itime 292547 + acceleration/energy drift too large 3.61167752280191 + 10.1913311809426 split increased to 2 itime 252748 itsplit 1 - acceleration/energy drift too large 2.48813703262112 - 11.0771824142261 split increased to 2 itime 293442 + acceleration/energy drift too large 4.40362732277444 + 11.6782656860820 split increased to 2 itime 253114 itsplit 1 - acceleration/energy drift too large 4.21427453721844 - 13.5045095846096 split increased to 2 itime 294765 + acceleration/energy drift too large 6.18158963135055 + 46.7178019167412 split increased to 2 itime 253512 itsplit 1 - acceleration/energy drift too large 11.9678880049237 - 73.7514462316036 split increased to 2 itime 296397 + acceleration/energy drift too large 5.03393247180098 + 11.3332578439481 split increased to 2 itime 253844 itsplit 1 - acceleration/energy drift too large 2.25248980875874 - 11.3636190035195 split increased to 4 itime 296397 - itsplit 2 - acceleration/energy drift too large 6.42465597627872 - 20.2067456358300 split increased to 2 itime 297259 + acceleration/energy drift too large 5.30979425206005 + 29.1936964522308 split increased to 2 itime 254633 itsplit 1 - acceleration/energy drift too large 9.56793280863025 - 39.7068406493567 split increased to 2 itime 297884 + acceleration/energy drift too large 3.19686669697974 + 12.9021212289249 split increased to 2 itime 254634 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 - MIN ii_write= 1 - REMD gather times= 97.6328125000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 - NREP 16 -ACC 1 250.00000 0.66667 3 -ACC 2 260.00000 0.66667 3 -ACC 3 270.00000 0.33333 3 -ACC 4 280.00000 0.66667 3 -ACC 5 290.00000 0.66667 3 -ACC 6 300.00000 0.66667 3 -ACC 7 310.00000 1.00000 3 -ACC 8 320.00000 0.33333 3 -ACC 9 330.00000 0.66667 3 -ACC 10 340.00000 0.33333 3 -ACC 11 350.00000 0.66667 3 -ACC 12 360.00000 1.00000 3 -ACC 13 370.00000 1.00000 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 4.74653703100026 - 14.4961096534702 split increased to 2 itime 301817 + acceleration/energy drift too large 4.79260254924054 + 28.5667905576579 split increased to 2 itime 255478 itsplit 1 - acceleration/energy drift too large 7.79294451616467 - 20.2605284316772 split increased to 2 itime 301856 + acceleration/energy drift too large 4.65602354960583 + 17.7759492210056 split increased to 2 itime 255953 itsplit 1 - acceleration/energy drift too large 3.22683717777622 - 10.6507223254463 split increased to 2 itime 302334 + acceleration/energy drift too large 11.3169090224622 + 161.243959808749 split increased to 2 itime 257193 itsplit 1 - acceleration/energy drift too large 3.37558102706251 - 15.7899899006103 split increased to 2 itime 302786 + acceleration/energy drift too large 8.06907814347340 + 32.2475694627116 split increased to 2 itime 257260 itsplit 1 - acceleration/energy drift too large 9.26967582884234 - 40.5509422466356 split increased to 2 itime 302927 + acceleration/energy drift too large 2.60388286259137 + 12.1280694685579 split increased to 2 itime 259399 itsplit 1 - acceleration/energy drift too large 5.59396035020687 - 14.5198444548831 split increased to 2 itime 306770 + acceleration/energy drift too large 6.45796619230735 + 47.5864464837099 split increased to 2 itime 259484 itsplit 1 - acceleration/energy drift too large 3.81431259225134 - 10.0467368891205 split increased to 2 itime 308593 + acceleration/energy drift too large 7.94273027558313 + 66.5456672752248 split increased to 2 itime 259959 itsplit 1 - acceleration/energy drift too large 4.02776551332654 - 11.2812309617975 split increased to 2 itime 309015 +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 2.40010355334840 - 15.3736922789987 split increased to 2 itime 309336 + acceleration/energy drift too large 6.99349480011820 + 47.7837841253383 split increased to 2 itime 260301 itsplit 1 -Velocities reset to random values, time 61999.80 - acceleration/energy drift too large 10.0426638739962 - 44.1413156188282 split increased to 2 itime 310607 + acceleration/energy drift too large 1.57731869998459 + 11.8990813440203 split increased to 4 itime 260301 itsplit 1 - acceleration/energy drift too large 5.74393443355665 - 16.9775995733477 split increased to 2 itime 310768 + acceleration/energy drift too large 4.61447338962169 + 22.9151619947389 split increased to 2 itime 260776 itsplit 1 - acceleration/energy drift too large 2.13155020622275 - 11.1737821320008 split increased to 2 itime 313941 + acceleration/energy drift too large 7.17899670696612 + 26.4749022442379 split increased to 2 itime 260862 itsplit 1 - acceleration/energy drift too large 2.56042198313778 - 14.4427752323447 split increased to 2 itime 314099 + acceleration/energy drift too large 5.46685601351314 + 17.8321954757611 split increased to 2 itime 261818 itsplit 1 - acceleration/energy drift too large 2.69219157590331 - 12.0399825642012 split increased to 2 itime 317072 + acceleration/energy drift too large 8.37501437872455 + 89.1916118826271 split increased to 2 itime 262814 itsplit 1 - acceleration/energy drift too large 4.65603573742887 - 14.5882500375727 split increased to 2 itime 317086 + acceleration/energy drift too large 5.22467116630451 + 17.0237090007236 split increased to 2 itime 263665 itsplit 1 - acceleration/energy drift too large 2.90391207842248 - 17.1380162404347 split increased to 2 itime 318942 + acceleration/energy drift too large 5.71210911345283 + 21.1408707305939 split increased to 2 itime 263901 itsplit 1 - acceleration/energy drift too large 2.47746229834933 - 15.9575194574532 split increased to 2 itime 319238 + acceleration/energy drift too large 6.10003549896224 + 23.5490643132228 split increased to 2 itime 263994 itsplit 1 -Velocities reset to random values, time 63999.80 - acceleration/energy drift too large 4.20284179212565 - 12.8997545432308 split increased to 2 itime 320525 + acceleration/energy drift too large 8.20268850051587 + 23.1777812019148 split increased to 2 itime 264177 itsplit 1 - acceleration/energy drift too large 1.59701709664048 - 11.1668861471805 split increased to 2 itime 320596 + acceleration/energy drift too large 3.88188908844422 + 13.9856854971536 split increased to 2 itime 264691 itsplit 1 - acceleration/energy drift too large 8.34237184387572 - 32.0298188717333 split increased to 2 itime 322320 + acceleration/energy drift too large 3.59644744767693 + 23.4348027889077 split increased to 2 itime 265041 itsplit 1 - acceleration/energy drift too large 5.22605080463165 - 12.5692654377719 split increased to 2 itime 322900 + acceleration/energy drift too large 5.85747097230420 + 18.3512257605687 split increased to 2 itime 266239 itsplit 1 - acceleration/energy drift too large 4.76944857336988 - 10.6149403068381 split increased to 2 itime 323261 + acceleration/energy drift too large 2.55022222561286 + 12.8061798642678 split increased to 2 itime 268645 itsplit 1 - acceleration/energy drift too large 5.56269874546165 - 16.3368748314025 split increased to 2 itime 325685 + acceleration/energy drift too large 4.49085679966644 + 16.3684860363880 split increased to 2 itime 269570 itsplit 1 - acceleration/energy drift too large 2.57593305191987 - 10.1350815779999 split increased to 2 itime 326332 +Velocities reset to random values, time 53999.80 + acceleration/energy drift too large 5.25274366751194 + 18.4603368822076 split increased to 2 itime 270538 itsplit 1 - acceleration/energy drift too large 4.32574893165141 - 15.0650563248663 split increased to 2 itime 327307 + acceleration/energy drift too large 6.23882492153760 + 17.5633522160038 split increased to 2 itime 272608 itsplit 1 -Velocities reset to random values, time 65999.80 - acceleration/energy drift too large 5.12058216374403 - 15.0524512452061 split increased to 2 itime 331794 + acceleration/energy drift too large 3.85640416013364 + 11.2906373571186 split increased to 2 itime 274105 itsplit 1 - acceleration/energy drift too large 4.24993209532194 - 12.7863340178675 split increased to 2 itime 332535 + acceleration/energy drift too large 2.27744594892197 + 12.2783170997514 split increased to 2 itime 274415 itsplit 1 - acceleration/energy drift too large 5.17274241673191 - 29.6883952022451 split increased to 2 itime 332829 + acceleration/energy drift too large 5.47426144025225 + 36.0315271901256 split increased to 2 itime 276125 itsplit 1 -Velocities reset to random values, time 67999.80 - acceleration/energy drift too large 5.15213827178948 - 16.2695456739890 split increased to 2 itime 344204 + acceleration/energy drift too large 3.50232950588160 + 19.7353095226570 split increased to 2 itime 276304 itsplit 1 - acceleration/energy drift too large 4.07124029064840 - 10.0726478693486 split increased to 2 itime 345745 + acceleration/energy drift too large 8.17273252379029 + 22.0871395331734 split increased to 2 itime 276917 itsplit 1 - acceleration/energy drift too large 5.25616946588270 - 16.5593491116070 split increased to 2 itime 346209 + acceleration/energy drift too large 2.69832241928415 + 11.4024695909039 split increased to 2 itime 276920 itsplit 1 - acceleration/energy drift too large 4.52521476440034 - 13.7603784691467 split increased to 2 itime 348191 + acceleration/energy drift too large 5.19830199417168 + 19.2870506887228 split increased to 2 itime 278296 itsplit 1 - acceleration/energy drift too large 2.20397750980659 - 14.2824377234908 split increased to 2 itime 348308 + acceleration/energy drift too large 4.06193721784993 + 17.8967177753917 split increased to 2 itime 278400 itsplit 1 - acceleration/energy drift too large 4.58559572673012 - 25.4467679743356 split increased to 2 itime 348309 + acceleration/energy drift too large 4.76262838690433 + 16.8576361345615 split increased to 2 itime 279030 itsplit 1 - acceleration/energy drift too large 5.37796800293809 - 14.7171658034760 split increased to 2 itime 348729 + acceleration/energy drift too large 6.32215556102713 + 18.6070140960166 split increased to 2 itime 279400 itsplit 1 - acceleration/energy drift too large 6.96841188002727 - 20.5603681985924 split increased to 2 itime 348803 +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 10.2087258449308 - 55.4899463957382 split increased to 2 itime 348906 + acceleration/energy drift too large 6.25186221347915 + 24.9729745449266 split increased to 2 itime 284519 itsplit 1 - acceleration/energy drift too large 2.48444312235286 - 13.6864604356034 split increased to 4 itime 348906 - itsplit 2 -Velocities reset to random values, time 69999.80 - acceleration/energy drift too large 2.85042276529144 - 14.8938570559057 split increased to 2 itime 354678 + acceleration/energy drift too large 3.65361022732287 + 16.6195900592584 split increased to 2 itime 285728 itsplit 1 - acceleration/energy drift too large 6.18739217325295 - 23.0015837792323 split increased to 2 itime 354876 + acceleration/energy drift too large 5.33403394746487 + 26.1281201328799 split increased to 2 itime 285760 itsplit 1 - acceleration/energy drift too large 5.45728095297666 - 14.8425785080493 split increased to 2 itime 355510 + acceleration/energy drift too large 2.62165596395872 + 13.1436333511659 split increased to 2 itime 285761 itsplit 1 - acceleration/energy drift too large 3.25343752548132 - 19.7451451873440 split increased to 2 itime 355527 + acceleration/energy drift too large 5.15436874113173 + 11.9231750150784 split increased to 2 itime 285768 itsplit 1 - acceleration/energy drift too large 9.50833446953568 - 46.3578058378884 split increased to 2 itime 356093 + acceleration/energy drift too large 7.16533442633403 + 20.0645867637737 split increased to 2 itime 287397 itsplit 1 - acceleration/energy drift too large 3.83231910207820 - 10.3744572450315 split increased to 2 itime 357966 + acceleration/energy drift too large 1.91625130967802 + 11.5153196792092 split increased to 2 itime 287722 itsplit 1 - acceleration/energy drift too large 5.36318616680579 - 25.8391892864297 split increased to 2 itime 358925 + acceleration/energy drift too large 8.82931554738403 + 34.5773118577314 split increased to 2 itime 287851 itsplit 1 -Velocities reset to random values, time 71999.80 - acceleration/energy drift too large 2.90973210361151 - 17.1476770308735 split increased to 2 itime 362329 + acceleration/energy drift too large 3.50626692461012 + 11.9416730995477 split increased to 2 itime 287870 itsplit 1 - acceleration/energy drift too large 7.84096878915784 - 28.2417052063377 split increased to 2 itime 362901 + acceleration/energy drift too large 5.24492781059974 + 21.5243431484944 split increased to 2 itime 289264 itsplit 1 - acceleration/energy drift too large 4.65399675194030 - 15.3778785409094 split increased to 2 itime 363831 +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 4.42167898696085 - 11.6821277965135 split increased to 2 itime 364639 + acceleration/energy drift too large 9.29502144483686 + 39.1096035695160 split increased to 2 itime 290298 itsplit 1 - acceleration/energy drift too large 5.58769738163232 - 13.8114588181142 split increased to 2 itime 365283 + acceleration/energy drift too large 2.31173117760042 + 12.0622389720738 split increased to 2 itime 290299 itsplit 1 - acceleration/energy drift too large 5.36183328656027 - 24.7726051738871 split increased to 2 itime 365598 + acceleration/energy drift too large 3.54261923057887 + 13.1195576565950 split increased to 2 itime 290506 itsplit 1 - acceleration/energy drift too large 7.76409936436296 - 21.4255424312454 split increased to 2 itime 366491 + acceleration/energy drift too large 5.79536333255481 + 23.5741534507117 split increased to 2 itime 292647 itsplit 1 - acceleration/energy drift too large 5.26867064214734 - 13.7162739685569 split increased to 2 itime 367022 + acceleration/energy drift too large 5.99924730273468 + 20.0698313414361 split increased to 2 itime 292718 itsplit 1 - acceleration/energy drift too large 6.44305467339040 - 14.8511611437300 split increased to 2 itime 368324 + acceleration/energy drift too large 6.35924310780247 + 16.2280087407269 split increased to 2 itime 292911 itsplit 1 -Velocities reset to random values, time 73999.80 - acceleration/energy drift too large 5.92956625141245 - 43.0606284961055 split increased to 2 itime 372219 + acceleration/energy drift too large 5.82423666300645 + 17.4629347582618 split increased to 2 itime 293751 itsplit 1 - acceleration/energy drift too large 5.52315712685407 - 19.5387265522369 split increased to 2 itime 374563 + acceleration/energy drift too large 7.24553177111816 + 32.5662412451276 split increased to 2 itime 294774 itsplit 1 - acceleration/energy drift too large 3.43899288073537 - 11.7659324369125 split increased to 2 itime 375728 + acceleration/energy drift too large 6.36445641210212 + 13.9138433683522 split increased to 2 itime 295849 itsplit 1 - acceleration/energy drift too large 4.84475825646286 - 13.7764264719732 split increased to 2 itime 375734 + acceleration/energy drift too large 4.56658437011661 + 14.1075785477974 split increased to 2 itime 296826 itsplit 1 - acceleration/energy drift too large 5.04884009027345 - 20.8502560117513 split increased to 2 itime 377660 + acceleration/energy drift too large 4.54062199257411 + 10.0371432287181 split increased to 2 itime 297975 itsplit 1 - acceleration/energy drift too large 3.19584780538516 - 13.5310421768747 split increased to 2 itime 378505 + acceleration/energy drift too large 2.58573152638697 + 10.5501840834612 split increased to 2 itime 298375 itsplit 1 - acceleration/energy drift too large 4.86305094892220 - 14.6269658258019 split increased to 2 itime 379341 + acceleration/energy drift too large 11.5891608933544 + 64.8807244383626 split increased to 2 itime 298484 itsplit 1 - acceleration/energy drift too large 4.94460215789803 - 12.0931183043119 split increased to 2 itime 379428 + acceleration/energy drift too large 6.52639196492389 + 15.5757699308264 split increased to 2 itime 298951 itsplit 1 -Velocities reset to random values, time 75999.80 - acceleration/energy drift too large 5.88913271427792 - 16.3185944028214 split increased to 2 itime 380389 + acceleration/energy drift too large 7.79986462023410 + 23.8326950552251 split increased to 2 itime 299991 itsplit 1 - acceleration/energy drift too large 5.65360772929155 - 17.8954382079814 split increased to 2 itime 381485 +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 + 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 + 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 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 5.09433865261189 - 13.3427607674305 split increased to 2 itime 381962 + acceleration/energy drift too large 4.75846444841410 + 14.5604650991464 split increased to 2 itime 303934 itsplit 1 - acceleration/energy drift too large 5.26599516519153 - 14.1947085510483 split increased to 2 itime 382105 + acceleration/energy drift too large 5.22647671248841 + 10.6215557321656 split increased to 2 itime 304175 itsplit 1 - acceleration/energy drift too large 4.27415700797396 - 13.6537837615552 split increased to 2 itime 382808 + acceleration/energy drift too large 4.12123751922885 + 10.4884747829284 split increased to 2 itime 304241 itsplit 1 - acceleration/energy drift too large 5.40570975007213 - 14.5138206458984 split increased to 2 itime 383030 + acceleration/energy drift too large 3.44221399788850 + 12.5272103618110 split increased to 2 itime 305570 itsplit 1 - acceleration/energy drift too large 4.51403786035482 - 29.3042018229721 split increased to 2 itime 383323 + acceleration/energy drift too large 4.76812859718214 + 11.9262480965619 split increased to 2 itime 306955 itsplit 1 - acceleration/energy drift too large 1.32865766422276 - 13.1091147284460 split increased to 2 itime 383324 + acceleration/energy drift too large 4.05763667676570 + 11.6018843772727 split increased to 2 itime 307011 itsplit 1 - acceleration/energy drift too large 7.16233616985799 - 22.6467833861321 split increased to 2 itime 383440 + acceleration/energy drift too large 8.57919462477725 + 33.3581529060793 split increased to 2 itime 307097 itsplit 1 - acceleration/energy drift too large 4.52262483069645 - 12.3507725155107 split increased to 2 itime 388153 +Velocities reset to random values, time 61999.80 + acceleration/energy drift too large 6.92603373546451 + 23.0425935316238 split increased to 2 itime 311284 itsplit 1 - acceleration/energy drift too large 3.66329581123763 - 16.0333805023704 split increased to 2 itime 389074 + acceleration/energy drift too large 5.69419384421165 + 10.6518772866196 split increased to 2 itime 311518 itsplit 1 -Velocities reset to random values, time 77999.80 - acceleration/energy drift too large 5.74824505189952 - 12.9411508192371 split increased to 2 itime 390419 + acceleration/energy drift too large 4.36921418148261 + 10.5453353318495 split increased to 2 itime 311609 itsplit 1 - acceleration/energy drift too large 2.47600976432689 - 13.8687791291948 split increased to 2 itime 391173 + acceleration/energy drift too large 7.66272761309504 + 27.8487547661130 split increased to 2 itime 312257 itsplit 1 - acceleration/energy drift too large 2.33220132956298 - 12.4915751738750 split increased to 2 itime 391613 + acceleration/energy drift too large 2.63617479536375 + 16.8144269054514 split increased to 2 itime 315902 itsplit 1 - acceleration/energy drift too large 2.28382221720213 - 11.9157019923583 split increased to 2 itime 392040 + acceleration/energy drift too large 5.79319186200584 + 10.1007897717378 split increased to 2 itime 316703 itsplit 1 - acceleration/energy drift too large 5.89903328416914 - 13.3085683449634 split increased to 2 itime 393620 + acceleration/energy drift too large 5.27985600934854 + 18.1388084599452 split increased to 2 itime 319001 itsplit 1 - acceleration/energy drift too large 5.20809103877739 - 13.1947744000292 split increased to 2 itime 394001 + acceleration/energy drift too large 3.16937329679056 + 24.1620605719490 split increased to 2 itime 319172 itsplit 1 - acceleration/energy drift too large 7.31882779213365 - 17.3734689082338 split increased to 2 itime 394245 +Velocities reset to random values, time 63999.80 + acceleration/energy drift too large 3.79058375708654 + 10.4544440528750 split increased to 2 itime 321177 itsplit 1 - acceleration/energy drift too large 2.29770061373230 - 10.5221353308330 split increased to 2 itime 394931 + acceleration/energy drift too large 3.59098679493595 + 12.6293077222021 split increased to 2 itime 325605 itsplit 1 - acceleration/energy drift too large 6.66221571906720 - 19.2388256450955 split increased to 2 itime 397376 + acceleration/energy drift too large 4.83128899002368 + 13.5463157451227 split increased to 2 itime 325964 itsplit 1 - acceleration/energy drift too large 5.06656286941232 - 13.1441434892435 split increased to 2 itime 398362 + acceleration/energy drift too large 2.73760723337011 + 14.6765139285750 split increased to 2 itime 326989 itsplit 1 - acceleration/energy drift too large 2.35865642825049 - 15.2514475652846 split increased to 2 itime 398909 + acceleration/energy drift too large 3.44172973932176 + 13.9426206532177 split increased to 2 itime 328675 itsplit 1 - acceleration/energy drift too large 3.10808383543609 - 11.8705551801477 split increased to 2 itime 398993 + acceleration/energy drift too large 6.06097052407765 + 14.8954531282660 split increased to 2 itime 329720 itsplit 1 - acceleration/energy drift too large 2.59118694266504 - 14.7477344312607 split increased to 2 itime 399080 +Velocities reset to random values, time 65999.80 + acceleration/energy drift too large 5.11344591654875 + 10.8060672290211 split increased to 2 itime 332612 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 - MIN ii_write= 1 - REMD gather times= 129.925781250000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 - NREP 16 -ACC 1 250.00000 0.50000 4 -ACC 2 260.00000 0.50000 4 -ACC 3 270.00000 0.25000 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 0.75000 4 -ACC 8 320.00000 0.25000 4 -ACC 9 330.00000 0.50000 4 -ACC 10 340.00000 0.50000 4 -ACC 11 350.00000 0.75000 4 -ACC 12 360.00000 1.00000 4 -ACC 13 370.00000 1.00000 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 5.11061343451897 - 12.6762882631184 split increased to 2 itime 401135 + acceleration/energy drift too large 3.42383979993469 + 22.5718390049174 split increased to 2 itime 332634 itsplit 1 - acceleration/energy drift too large 3.30732311257863 - 18.5484258103036 split increased to 2 itime 403015 + acceleration/energy drift too large 2.67433160861011 + 13.6487718252882 split increased to 2 itime 333274 itsplit 1 - acceleration/energy drift too large 2.71752742304277 - 13.0195883684556 split increased to 2 itime 403523 + acceleration/energy drift too large 5.23068412448105 + 21.0344405516192 split increased to 2 itime 335082 itsplit 1 - acceleration/energy drift too large 6.33609205293826 - 27.7659185130186 split increased to 2 itime 403836 + acceleration/energy drift too large 7.75048509436381 + 27.2706652588561 split increased to 2 itime 338775 itsplit 1 - acceleration/energy drift too large 2.19948474320004 - 10.5479060502446 split increased to 2 itime 404932 +Velocities reset to random values, time 67999.80 + acceleration/energy drift too large 4.19274336283247 + 11.2992188723966 split increased to 2 itime 342384 itsplit 1 - acceleration/energy drift too large 6.46239265103868 - 16.8963695502868 split increased to 2 itime 405389 +Velocities reset to random values, time 69999.80 + acceleration/energy drift too large 2.62179598425635 + 16.2468969877411 split increased to 2 itime 351204 itsplit 1 - acceleration/energy drift too large 3.76078390863811 - 10.3644593403161 split increased to 2 itime 405701 + acceleration/energy drift too large 4.40465975334449 + 13.1137697025318 split increased to 2 itime 351240 itsplit 1 - acceleration/energy drift too large 4.28617695927949 - 10.9699640550932 split increased to 2 itime 406213 + acceleration/energy drift too large 5.03507271155133 + 10.4560271961448 split increased to 2 itime 351249 itsplit 1 - acceleration/energy drift too large 4.39013645566034 - 19.8223488236473 split increased to 2 itime 406845 + acceleration/energy drift too large 4.86608746470851 + 25.0922468819268 split increased to 2 itime 353281 itsplit 1 - acceleration/energy drift too large 8.66175598231922 - 24.6498263090524 split increased to 2 itime 407678 + acceleration/energy drift too large 8.74985933109997 + 34.9316148544256 split increased to 2 itime 356677 itsplit 1 - acceleration/energy drift too large 5.12977947609520 - 11.7671156124732 split increased to 2 itime 409351 + acceleration/energy drift too large 3.56406207258775 + 10.4752887031890 split increased to 2 itime 356989 itsplit 1 -Velocities reset to random values, time 81999.80 - acceleration/energy drift too large 6.22284630174127 - 11.4025991035611 split increased to 2 itime 410687 + acceleration/energy drift too large 5.61153750176249 + 18.0620612870272 split increased to 2 itime 358116 itsplit 1 - acceleration/energy drift too large 4.31085688679568 - 12.3248449695206 split increased to 2 itime 411142 + acceleration/energy drift too large 4.43861446085209 + 22.0272133050345 split increased to 2 itime 358147 itsplit 1 - acceleration/energy drift too large 2.33167803048749 - 10.7509374705099 split increased to 2 itime 411882 + acceleration/energy drift too large 5.91201889244300 + 15.3791076086729 split increased to 2 itime 358737 itsplit 1 - acceleration/energy drift too large 6.90011729083356 - 18.8034345224998 split increased to 2 itime 412024 + acceleration/energy drift too large 3.97160701871715 + 10.8784136909497 split increased to 2 itime 358848 itsplit 1 - acceleration/energy drift too large 2.63019483905697 - 19.5851555203900 split increased to 2 itime 412504 +Velocities reset to random values, time 71999.80 + acceleration/energy drift too large 4.76083594317882 + 12.0414034238304 split increased to 2 itime 361313 itsplit 1 - acceleration/energy drift too large 4.85532308943637 - 12.0182830630077 split increased to 2 itime 413316 + acceleration/energy drift too large 5.37586761620795 + 17.5370386894735 split increased to 2 itime 364179 itsplit 1 - acceleration/energy drift too large 4.29246354871446 - 11.8856067831948 split increased to 2 itime 413931 + acceleration/energy drift too large 6.22744230012241 + 23.9264878326282 split increased to 2 itime 364666 itsplit 1 - acceleration/energy drift too large 4.53840861400948 - 17.1238981723967 split increased to 2 itime 414035 + acceleration/energy drift too large 5.37849423933318 + 28.7599246015068 split increased to 2 itime 365051 itsplit 1 - acceleration/energy drift too large 5.84783872870902 - 19.5279803825499 split increased to 2 itime 414164 + acceleration/energy drift too large 5.15684759541444 + 16.8220738832904 split increased to 2 itime 365749 itsplit 1 - acceleration/energy drift too large 4.82099367727505 - 25.1276989894918 split increased to 2 itime 415060 + acceleration/energy drift too large 6.58153491584516 + 23.5751270385877 split increased to 2 itime 366549 itsplit 1 - acceleration/energy drift too large 2.33431852584656 - 16.8733285222135 split increased to 2 itime 416187 + acceleration/energy drift too large 1.88564641261838 + 16.5285514906273 split increased to 2 itime 366550 itsplit 1 - acceleration/energy drift too large 6.46353480170789 - 19.7644890852479 split increased to 2 itime 417008 +Velocities reset to random values, time 73999.80 + acceleration/energy drift too large 6.42819413746919 + 19.2022623719648 split increased to 2 itime 370308 itsplit 1 - acceleration/energy drift too large 4.51326910594791 - 17.0610980702080 split increased to 2 itime 417355 + acceleration/energy drift too large 7.68849979005426 + 26.3712365349223 split increased to 2 itime 370741 itsplit 1 - acceleration/energy drift too large 5.40434312564802 - 26.7016838119556 split increased to 2 itime 419158 + acceleration/energy drift too large 6.64359258953225 + 17.6780292942082 split increased to 2 itime 373653 itsplit 1 - acceleration/energy drift too large 6.10329002472998 - 14.1290122828212 split increased to 2 itime 419516 + acceleration/energy drift too large 5.36387204093286 + 24.1448352998582 split increased to 2 itime 374632 itsplit 1 -Velocities reset to random values, time 83999.80 - acceleration/energy drift too large 4.31973832865928 - 17.8004480483302 split increased to 2 itime 420284 + acceleration/energy drift too large 3.67087598742650 + 10.5305977688170 split increased to 2 itime 375474 itsplit 1 - acceleration/energy drift too large 5.45537840621313 - 19.6062506444591 split increased to 2 itime 421590 + acceleration/energy drift too large 11.1226298201210 + 56.5640202913500 split increased to 2 itime 377670 itsplit 1 - acceleration/energy drift too large 8.54726150153755 - 32.5371884312401 split increased to 2 itime 421974 + acceleration/energy drift too large 1.89087148150809 + 11.4267198153424 split increased to 2 itime 378000 itsplit 1 - acceleration/energy drift too large 6.08987013233523 - 12.5654017126875 split increased to 2 itime 422063 +Velocities reset to random values, time 75999.80 + acceleration/energy drift too large 8.98850266681585 + 43.2493594683055 split increased to 2 itime 380523 itsplit 1 - acceleration/energy drift too large 3.88492805905722 - 15.8024635337514 split increased to 2 itime 422920 + acceleration/energy drift too large 2.06816876996664 + 12.9220015497403 split increased to 2 itime 380524 itsplit 1 - acceleration/energy drift too large 5.10437571940544 - 25.0579057698207 split increased to 2 itime 424792 + acceleration/energy drift too large 9.60567614855503 + 58.3210666213169 split increased to 2 itime 380836 itsplit 1 - acceleration/energy drift too large 7.03032558836901 - 22.3036698948097 split increased to 2 itime 425588 + acceleration/energy drift too large 2.39090374777370 + 17.0632962590724 split increased to 2 itime 380837 itsplit 1 - acceleration/energy drift too large 4.90739065440440 - 10.4721867156118 split increased to 2 itime 426238 + acceleration/energy drift too large 3.29853904398010 + 20.5214337491257 split increased to 2 itime 383563 itsplit 1 - acceleration/energy drift too large 6.52602620730483 - 14.8909415052468 split increased to 2 itime 426728 + acceleration/energy drift too large 4.73880464773287 + 13.5663174112965 split increased to 2 itime 383652 itsplit 1 - acceleration/energy drift too large 5.98175407128341 - 20.5144724858188 split increased to 2 itime 427133 + acceleration/energy drift too large 7.29111174454555 + 24.4818690256853 split increased to 2 itime 384278 itsplit 1 - acceleration/energy drift too large 5.10307921162576 - 16.1999087201499 split increased to 2 itime 429274 + acceleration/energy drift too large 6.56997907179818 + 22.8522790571525 split increased to 2 itime 384279 itsplit 1 - acceleration/energy drift too large 4.68771747446478 - 10.6026381069787 split increased to 2 itime 429725 + acceleration/energy drift too large 2.70981536196542 + 12.3358659913794 split increased to 2 itime 386253 itsplit 1 -Velocities reset to random values, time 85999.80 - acceleration/energy drift too large 12.6960614236824 - 49.1823031344523 split increased to 2 itime 430292 + acceleration/energy drift too large 2.32102484710323 + 17.0682482993278 split increased to 2 itime 387254 itsplit 1 - acceleration/energy drift too large 3.60707722689840 - 10.3837817025541 split increased to 2 itime 430371 + acceleration/energy drift too large 2.66021524061225 + 14.4614031356135 split increased to 2 itime 387298 itsplit 1 - acceleration/energy drift too large 3.25830209541275 - 13.2600823276660 split increased to 2 itime 431345 + acceleration/energy drift too large 4.15397784121815 + 12.3232270734992 split increased to 2 itime 388801 itsplit 1 - acceleration/energy drift too large 3.39585701881609 - 10.5475027294959 split increased to 2 itime 431840 + acceleration/energy drift too large 4.75798586317919 + 17.2318019328056 split increased to 2 itime 389015 itsplit 1 - acceleration/energy drift too large 8.39217844762826 - 35.0116353388863 split increased to 2 itime 433658 + acceleration/energy drift too large 3.48376008575851 + 27.0920657733166 split increased to 2 itime 389071 itsplit 1 - acceleration/energy drift too large 4.01791306725080 - 18.2215087917765 split increased to 2 itime 433659 +Velocities reset to random values, time 77999.80 + acceleration/energy drift too large 9.34132822233123 + 14.1299459352593 split increased to 2 itime 393325 itsplit 1 - acceleration/energy drift too large 5.34092845799762 - 23.5124086621844 split increased to 2 itime 433880 + acceleration/energy drift too large 3.53975057094461 + 29.3105358293453 split increased to 2 itime 397100 itsplit 1 - acceleration/energy drift too large 3.92402082131598 - 10.2127482571078 split increased to 2 itime 435523 + acceleration/energy drift too large 10.0049920273749 + 50.2397248626102 split increased to 2 itime 399388 itsplit 1 - acceleration/energy drift too large 5.38937790628387 - 14.9119444104233 split increased to 2 itime 435759 + 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 itsplit 1 - acceleration/energy drift too large 4.42427788308877 - 20.7268692385256 split increased to 2 itime 436040 +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 + 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 + 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 1.00000 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 + 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 itsplit 1 - acceleration/energy drift too large 4.82817887745515 - 13.8918218665531 split increased to 2 itime 437558 + acceleration/energy drift too large 8.34850791190807 + 29.9277564895180 split increased to 2 itime 403073 itsplit 1 - acceleration/energy drift too large 4.90300010811251 - 27.3609081366820 split increased to 2 itime 438594 + acceleration/energy drift too large 5.19373752054904 + 15.6040608505331 split increased to 2 itime 403881 itsplit 1 -Velocities reset to random values, time 87999.80 - acceleration/energy drift too large 5.28670832167430 - 12.2281201077977 split increased to 2 itime 441931 + acceleration/energy drift too large 7.46832581423188 + 18.2111880301842 split increased to 2 itime 405282 itsplit 1 - acceleration/energy drift too large 6.49591111748349 - 11.9031252741567 split increased to 2 itime 442533 + acceleration/energy drift too large 5.46596215770641 + 10.3789247750593 split increased to 2 itime 405288 itsplit 1 - acceleration/energy drift too large 6.25475058386385 - 25.6151934481788 split increased to 2 itime 444106 + acceleration/energy drift too large 2.38438004043562 + 10.2868368387867 split increased to 2 itime 405927 itsplit 1 - acceleration/energy drift too large 4.52592848420134 - 13.2140037342282 split increased to 2 itime 445550 + acceleration/energy drift too large 7.03732193903913 + 18.2129980711924 split increased to 2 itime 407200 itsplit 1 - acceleration/energy drift too large 6.07212996310294 - 14.6781192246878 split increased to 2 itime 445676 +Velocities reset to random values, time 81999.80 + acceleration/energy drift too large 5.03153305452181 + 21.4339115048159 split increased to 2 itime 410151 itsplit 1 - acceleration/energy drift too large 2.80512745936832 - 11.5060826542009 split increased to 2 itime 447651 + acceleration/energy drift too large 3.75853376985387 + 14.5703104070751 split increased to 2 itime 411244 itsplit 1 - acceleration/energy drift too large 6.24756002209494 - 23.5621147825419 split increased to 2 itime 447694 + acceleration/energy drift too large 6.02099667872600 + 19.0143764076154 split increased to 2 itime 413063 itsplit 1 - acceleration/energy drift too large 4.15861406700537 - 16.3987321864479 split increased to 2 itime 448009 + acceleration/energy drift too large 5.86298045495196 + 34.6096099685146 split increased to 2 itime 416955 itsplit 1 - acceleration/energy drift too large 5.20226235832301 - 10.7247053817557 split increased to 2 itime 448548 + acceleration/energy drift too large 5.14258718020759 + 21.8064241015623 split increased to 2 itime 417013 itsplit 1 - acceleration/energy drift too large 4.85383700477519 - 13.0233505650366 split increased to 2 itime 449279 + acceleration/energy drift too large 6.22110687087945 + 10.2035958611021 split increased to 2 itime 417248 itsplit 1 -Velocities reset to random values, time 89999.80 - acceleration/energy drift too large 3.51797917116977 - 10.8955375010004 split increased to 2 itime 451736 + acceleration/energy drift too large 3.09918909289270 + 11.7704523921461 split increased to 2 itime 417583 itsplit 1 - acceleration/energy drift too large 5.65226369635506 - 10.3299455197518 split increased to 2 itime 451863 + acceleration/energy drift too large 1.50679512475557 + 13.3303051257955 split increased to 4 itime 417583 itsplit 1 - acceleration/energy drift too large 2.15100576006334 - 10.8596467679583 split increased to 2 itime 452671 + acceleration/energy drift too large 6.70250994097654 + 24.1937697163829 split increased to 2 itime 419896 itsplit 1 - acceleration/energy drift too large 6.12885156720130 - 15.9790310236215 split increased to 2 itime 454665 +Velocities reset to random values, time 83999.80 + acceleration/energy drift too large 4.22194690913700 + 13.8332714924942 split increased to 2 itime 423520 itsplit 1 - acceleration/energy drift too large 2.39374156646898 - 14.2501891512812 split increased to 2 itime 455404 + acceleration/energy drift too large 5.82232540138945 + 16.3663344713537 split increased to 2 itime 424037 itsplit 1 - acceleration/energy drift too large 6.27439286786460 - 10.9750959098752 split increased to 2 itime 455750 + acceleration/energy drift too large 3.99607050498344 + 14.9605798269824 split increased to 2 itime 424718 itsplit 1 - acceleration/energy drift too large 4.12817220451532 - 12.4544838359192 split increased to 2 itime 456506 + acceleration/energy drift too large 4.91701955234869 + 28.6639978719811 split increased to 2 itime 424908 itsplit 1 - acceleration/energy drift too large 2.18053048961733 - 12.0130069851409 split increased to 2 itime 458158 + acceleration/energy drift too large 4.25128758035625 + 21.6899946168418 split increased to 2 itime 427208 itsplit 1 - acceleration/energy drift too large 9.87629172788394 - 44.6582593158087 split increased to 2 itime 458219 + acceleration/energy drift too large 3.71294185839611 + 16.5713878139662 split increased to 2 itime 427255 itsplit 1 - acceleration/energy drift too large 3.47319198122790 - 13.2534964334002 split increased to 2 itime 458252 +Velocities reset to random values, time 85999.80 + acceleration/energy drift too large 2.96462232888096 + 10.0834846412296 split increased to 2 itime 430253 itsplit 1 -Velocities reset to random values, time 91999.80 - acceleration/energy drift too large 7.02423900924881 - 21.5527013430013 split increased to 2 itime 460378 + acceleration/energy drift too large 5.59487437996206 + 27.9843237756155 split increased to 2 itime 430869 itsplit 1 - acceleration/energy drift too large 4.71945508631981 - 14.2496205191637 split increased to 2 itime 462266 + acceleration/energy drift too large 5.13294587815154 + 24.4546885548349 split increased to 2 itime 432617 itsplit 1 - acceleration/energy drift too large 4.54705245447910 - 10.9172622606431 split increased to 2 itime 463862 + acceleration/energy drift too large 5.29659024530973 + 26.5201387412203 split increased to 2 itime 433343 itsplit 1 - acceleration/energy drift too large 5.78703756262989 - 11.3302491782032 split increased to 2 itime 465475 + acceleration/energy drift too large 3.00501816602540 + 12.9375428237120 split increased to 2 itime 433344 itsplit 1 - acceleration/energy drift too large 3.89063033770301 - 14.4233856777009 split increased to 2 itime 466792 + acceleration/energy drift too large 3.73365910015374 + 14.5351590386227 split increased to 2 itime 433390 itsplit 1 - acceleration/energy drift too large 3.99688747537146 - 14.9878089882256 split increased to 2 itime 467626 + acceleration/energy drift too large 4.32293666268891 + 19.6627409949905 split increased to 2 itime 433709 itsplit 1 - acceleration/energy drift too large 4.32413291563623 - 10.1718861498166 split increased to 2 itime 468236 + acceleration/energy drift too large 6.52465870186193 + 29.9768949391426 split increased to 2 itime 434694 itsplit 1 - acceleration/energy drift too large 3.98509021323454 - 11.7826777728994 split increased to 2 itime 468389 + acceleration/energy drift too large 5.37484028193743 + 14.7511999134078 split increased to 2 itime 435178 itsplit 1 - acceleration/energy drift too large 10.1464104273359 - 48.7681491536489 split increased to 2 itime 468918 + acceleration/energy drift too large 4.07129818583356 + 13.8266906513137 split increased to 2 itime 436408 itsplit 1 -Velocities reset to random values, time 93999.80 - acceleration/energy drift too large 4.86613936943603 - 18.3132804898443 split increased to 2 itime 470376 + acceleration/energy drift too large 5.30288671343334 + 16.5228103301032 split increased to 2 itime 437200 itsplit 1 - acceleration/energy drift too large 3.98714623316026 - 11.0698303331868 split increased to 2 itime 470908 + acceleration/energy drift too large 3.61185926503092 + 11.4760999284788 split increased to 2 itime 437348 itsplit 1 - acceleration/energy drift too large 6.62831604728312 - 36.4805471348338 split increased to 2 itime 471810 + acceleration/energy drift too large 7.09496473299269 + 22.1762007359791 split increased to 2 itime 437960 itsplit 1 - acceleration/energy drift too large 4.60853781155378 - 22.9066776441411 split increased to 2 itime 472259 + acceleration/energy drift too large 3.36766165064590 + 13.1774297629055 split increased to 2 itime 439688 itsplit 1 - acceleration/energy drift too large 3.49590535846335 - 10.4338408307509 split increased to 2 itime 472456 +Velocities reset to random values, time 87999.80 + acceleration/energy drift too large 6.00287588822552 + 25.4985104983943 split increased to 2 itime 440793 itsplit 1 - acceleration/energy drift too large 2.34004076744622 - 15.9758696476486 split increased to 2 itime 473520 + acceleration/energy drift too large 6.89476470137271 + 19.3185433577334 split increased to 2 itime 440802 itsplit 1 - acceleration/energy drift too large 5.06863230167286 - 11.4729369685476 split increased to 2 itime 473986 + acceleration/energy drift too large 4.84382504494316 + 25.1129951350233 split increased to 2 itime 440829 itsplit 1 - acceleration/energy drift too large 9.40053480341076 - 25.8170022706007 split increased to 2 itime 478842 + acceleration/energy drift too large 3.98818766405409 + 19.1643710214830 split increased to 2 itime 441861 itsplit 1 -Velocities reset to random values, time 95999.80 - acceleration/energy drift too large 4.17974382314440 - 15.1054815276154 split increased to 2 itime 480873 + acceleration/energy drift too large 4.31561243948357 + 11.6071671658382 split increased to 2 itime 442409 itsplit 1 - acceleration/energy drift too large 4.28547242828707 - 23.8327738570182 split increased to 2 itime 480981 + acceleration/energy drift too large 7.75629182316262 + 30.6715202558308 split increased to 2 itime 443145 itsplit 1 - acceleration/energy drift too large 4.41730348729905 - 12.8143764568801 split increased to 2 itime 481744 + acceleration/energy drift too large 8.10905156776023 + 31.7586078839683 split increased to 2 itime 443526 itsplit 1 - acceleration/energy drift too large 2.29803000183096 - 11.5941071493627 split increased to 2 itime 485037 + acceleration/energy drift too large 5.61722516667647 + 18.4211097751804 split increased to 2 itime 443804 itsplit 1 - acceleration/energy drift too large 4.90596696578139 - 15.1846360911404 split increased to 2 itime 485666 + acceleration/energy drift too large 2.98849428189056 + 11.7024416616717 split increased to 2 itime 445676 itsplit 1 - acceleration/energy drift too large 5.63749678716790 - 19.6654681429800 split increased to 2 itime 486479 + acceleration/energy drift too large 4.60323295168567 + 28.0008959564913 split increased to 2 itime 445720 itsplit 1 - acceleration/energy drift too large 8.43706781127981 - 23.7723606001725 split increased to 2 itime 487014 + acceleration/energy drift too large 2.00135401562538 + 10.1340731634422 split increased to 2 itime 445967 itsplit 1 - acceleration/energy drift too large 7.66545458724698 - 17.0248186037216 split increased to 2 itime 488881 + acceleration/energy drift too large 6.79474589439384 + 22.2844299570468 split increased to 2 itime 446222 itsplit 1 -Velocities reset to random values, time 97999.80 - acceleration/energy drift too large 4.31780779411841 - 15.0031465249818 split increased to 2 itime 493900 + acceleration/energy drift too large 6.05841335495080 + 22.7832718425835 split increased to 2 itime 447086 itsplit 1 - acceleration/energy drift too large 4.21032311619180 - 12.1958796697122 split increased to 2 itime 493947 + acceleration/energy drift too large 5.47025757241198 + 21.1806063967866 split increased to 2 itime 447413 itsplit 1 - acceleration/energy drift too large 4.79088892698944 - 14.7868572050007 split increased to 2 itime 494400 + acceleration/energy drift too large 6.28227899298396 + 17.4067619201100 split increased to 2 itime 447775 itsplit 1 - acceleration/energy drift too large 3.62481815209525 - 10.6418292867908 split increased to 2 itime 495518 + acceleration/energy drift too large 2.58664406879878 + 19.3284809823980 split increased to 2 itime 449608 itsplit 1 - acceleration/energy drift too large 10.5780597457274 - 54.8082107813631 split increased to 2 itime 496098 +Velocities reset to random values, time 89999.80 + acceleration/energy drift too large 5.20953815531127 + 18.6396952186743 split increased to 2 itime 450890 itsplit 1 - acceleration/energy drift too large 2.43518761761194 - 12.3266628353730 split increased to 2 itime 496806 + acceleration/energy drift too large 3.32712756977863 + 12.1814485829973 split increased to 2 itime 452449 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= 162.593750000000 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 0.20000 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 0.80000 5 -ACC 8 320.00000 0.40000 5 -ACC 9 330.00000 0.40000 5 -ACC 10 340.00000 0.60000 5 -ACC 11 350.00000 0.80000 5 -ACC 12 360.00000 1.00000 5 -ACC 13 370.00000 1.00000 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 7.15090197406555 - 14.0645720430171 split increased to 2 itime 501736 + acceleration/energy drift too large 4.69457675801215 + 11.0673247789955 split increased to 2 itime 452609 itsplit 1 - acceleration/energy drift too large 3.58024087776764 - 10.0464644268008 split increased to 2 itime 502924 + acceleration/energy drift too large 4.20155102300153 + 25.4388516898503 split increased to 2 itime 453514 itsplit 1 - acceleration/energy drift too large 7.65617221324492 - 22.8151985448608 split increased to 2 itime 505020 + acceleration/energy drift too large 7.58441117674498 + 26.9112795896092 split increased to 2 itime 455123 itsplit 1 - acceleration/energy drift too large 4.36782292575687 - 10.8270829292355 split increased to 2 itime 506199 + acceleration/energy drift too large 6.67456474609787 + 14.6651365023740 split increased to 2 itime 456098 itsplit 1 - acceleration/energy drift too large 3.27854208757455 - 11.8549107657839 split increased to 2 itime 506365 + acceleration/energy drift too large 6.68289405989964 + 11.6684158997720 split increased to 2 itime 456842 itsplit 1 - acceleration/energy drift too large 7.47767649023221 - 19.5100383710146 split increased to 2 itime 506539 + acceleration/energy drift too large 4.33883048944411 + 12.6286251816921 split increased to 2 itime 457257 itsplit 1 - acceleration/energy drift too large 2.64689822516528 - 10.0704019912687 split increased to 2 itime 506750 + acceleration/energy drift too large 4.13463669355379 + 10.9748535478564 split increased to 2 itime 457280 itsplit 1 - acceleration/energy drift too large 4.49944382750580 - 14.4739559078128 split increased to 2 itime 508498 + acceleration/energy drift too large 3.43849825159746 + 12.8110401398300 split increased to 2 itime 457621 itsplit 1 - acceleration/energy drift too large 6.15888973930567 - 19.3377744191351 split increased to 2 itime 509360 + acceleration/energy drift too large 3.62053743236681 + 15.6078027805415 split increased to 2 itime 459207 itsplit 1 - acceleration/energy drift too large 2.77784289725985 - 14.1436420983081 split increased to 2 itime 509561 + acceleration/energy drift too large 5.25937279029496 + 34.4016809009295 split increased to 2 itime 459934 itsplit 1 - acceleration/energy drift too large 3.99007158454701 - 11.9182554245637 split increased to 2 itime 509577 +Velocities reset to random values, time 91999.80 + acceleration/energy drift too large 5.12353780297772 + 36.8983886338051 split increased to 2 itime 460113 itsplit 1 - acceleration/energy drift too large 5.74501099449596 - 11.6901196601102 split increased to 2 itime 509735 + acceleration/energy drift too large 6.80772422237991 + 26.2283834026153 split increased to 2 itime 462999 itsplit 1 - acceleration/energy drift too large 5.88040936301462 - 11.6573588186665 split increased to 2 itime 509802 + acceleration/energy drift too large 2.77741493051902 + 10.1092428033650 split increased to 2 itime 463566 itsplit 1 - acceleration/energy drift too large 6.26011408290629 - 13.7386167556546 split increased to 2 itime 509874 + acceleration/energy drift too large 5.24187751196089 + 11.8194547437371 split increased to 2 itime 463576 itsplit 1 -Velocities reset to random values, time 101999.80 - acceleration/energy drift too large 4.21125761457524 - 12.1983952189330 split increased to 2 itime 518342 + acceleration/energy drift too large 4.01428360568487 + 13.8739675118642 split increased to 2 itime 464141 itsplit 1 -Velocities reset to random values, time 103999.80 - acceleration/energy drift too large 3.61072431946663 - 13.9585517990033 split increased to 2 itime 520671 + acceleration/energy drift too large 5.69419784607206 + 38.3764478752122 split increased to 2 itime 465976 itsplit 1 - acceleration/energy drift too large 3.65496522276421 - 18.9283304896629 split increased to 2 itime 521009 + acceleration/energy drift too large 13.2042929316216 + 58.6271951177432 split increased to 2 itime 466636 itsplit 1 - acceleration/energy drift too large 1.41738129376700 - 10.3398661922129 split increased to 2 itime 523905 + acceleration/energy drift too large 2.63567633549479 + 11.6403508601015 split increased to 2 itime 467472 itsplit 1 - acceleration/energy drift too large 6.48253235903706 - 16.3191661155539 split increased to 2 itime 525276 +Velocities reset to random values, time 93999.80 + acceleration/energy drift too large 5.10546285865149 + 16.4005552628492 split increased to 2 itime 472599 itsplit 1 - acceleration/energy drift too large 3.43333478825362 - 10.8020506014827 split increased to 2 itime 526002 + acceleration/energy drift too large 5.75447062513305 + 20.8641855559396 split increased to 2 itime 475800 itsplit 1 - acceleration/energy drift too large 4.41089903756250 - 11.4984319793774 split increased to 2 itime 527200 + acceleration/energy drift too large 3.74766873335163 + 11.7735913214451 split increased to 2 itime 478245 itsplit 1 - acceleration/energy drift too large 5.33393294222631 - 31.6717702287395 split increased to 2 itime 527297 + acceleration/energy drift too large 8.06562039215200 + 23.3925671940576 split increased to 2 itime 478525 itsplit 1 - acceleration/energy drift too large 4.26370786243276 - 21.2369359082720 split increased to 2 itime 528303 +Velocities reset to random values, time 95999.80 + acceleration/energy drift too large 6.84343729725816 + 32.9079266535098 split increased to 2 itime 481310 itsplit 1 -Velocities reset to random values, time 105999.80 - acceleration/energy drift too large 6.31675814665906 - 20.7008860997452 split increased to 2 itime 531317 + acceleration/energy drift too large 9.17581477500274 + 41.0853030940486 split increased to 2 itime 482963 itsplit 1 - acceleration/energy drift too large 4.10085352194936 - 13.9638540550746 split increased to 2 itime 532031 + acceleration/energy drift too large 6.28070625966611 + 17.7302519675813 split increased to 2 itime 483046 itsplit 1 - acceleration/energy drift too large 8.12110006401335 - 14.9060491176364 split increased to 2 itime 532506 + acceleration/energy drift too large 4.21710733803607 + 18.4115697520822 split increased to 2 itime 485275 itsplit 1 - acceleration/energy drift too large 5.26138837806396 - 12.9617736032603 split increased to 2 itime 532938 + acceleration/energy drift too large 4.80342092214674 + 16.0980679382606 split increased to 2 itime 487662 itsplit 1 - acceleration/energy drift too large 6.34915258620975 - 27.0294550968473 split increased to 2 itime 533537 + acceleration/energy drift too large 4.32570920881215 + 10.4742493037187 split increased to 2 itime 488983 itsplit 1 - acceleration/energy drift too large 5.39843812694689 - 32.0670035331437 split increased to 2 itime 533851 + acceleration/energy drift too large 6.12506048028423 + 20.7106424959836 split increased to 2 itime 489936 itsplit 1 - acceleration/energy drift too large 8.43388808958597 - 31.0332982252897 split increased to 2 itime 535975 +Velocities reset to random values, time 97999.80 + acceleration/energy drift too large 8.44801155346415 + 34.2112031501455 split increased to 2 itime 490094 itsplit 1 - acceleration/energy drift too large 3.98664727400218 - 12.8690286732409 split increased to 2 itime 536047 + acceleration/energy drift too large 5.29713693828657 + 12.9308979369603 split increased to 2 itime 494036 itsplit 1 - acceleration/energy drift too large 5.65886765195689 - 15.0566216784200 split increased to 2 itime 536450 + acceleration/energy drift too large 3.40748426011928 + 13.6193321782272 split increased to 2 itime 494332 itsplit 1 - acceleration/energy drift too large 3.43991802845328 - 16.2062307664002 split increased to 2 itime 536552 + acceleration/energy drift too large 5.10659605191796 + 12.7078219685672 split increased to 2 itime 496332 itsplit 1 - acceleration/energy drift too large 5.01547110121234 - 15.1667229493659 split increased to 2 itime 539720 + acceleration/energy drift too large 5.15881023967515 + 10.2174486428275 split increased to 2 itime 497933 itsplit 1 -Velocities reset to random values, time 107999.80 - acceleration/energy drift too large 7.87448028222108 - 27.3989366754223 split increased to 2 itime 540471 + acceleration/energy drift too large 3.30927059995153 + 11.2460850499674 split increased to 2 itime 498076 itsplit 1 - acceleration/energy drift too large 5.77902010974629 - 11.9748763076863 split increased to 2 itime 541051 + acceleration/energy drift too large 2.55086427188497 + 14.8923659481319 split increased to 2 itime 498133 itsplit 1 - acceleration/energy drift too large 5.33699347798072 - 13.9892075498337 split increased to 2 itime 541208 + acceleration/energy drift too large 3.51134911349549 + 10.9459869404619 split increased to 2 itime 498326 itsplit 1 - acceleration/energy drift too large 9.38682500375998 - 31.9222899071623 split increased to 2 itime 544767 + acceleration/energy drift too large 8.79102005154873 + 20.9653351508991 split increased to 2 itime 498933 itsplit 1 - acceleration/energy drift too large 3.63209847135860 - 11.1359345510231 split increased to 2 itime 546355 +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 itsplit 1 - acceleration/energy drift too large 7.35214171932488 - 23.1829772959672 split increased to 2 itime 546405 + acceleration/energy drift too large 2.82305846646002 + 21.4499384719614 split increased to 2 itime 502501 itsplit 1 - acceleration/energy drift too large 2.62828269325847 - 13.1883616551442 split increased to 4 itime 546405 + acceleration/energy drift too large 4.30266502961531 + 30.1477348065987 split increased to 2 itime 504960 itsplit 1 - acceleration/energy drift too large 7.93893383040352 - 26.4213327538757 split increased to 2 itime 548348 +Velocities reset to random values, time 101999.80 + acceleration/energy drift too large 3.64222416352689 + 11.4110799135266 split increased to 2 itime 510653 itsplit 1 - acceleration/energy drift too large 5.92571275280044 - 10.8901953566925 split increased to 2 itime 548349 + acceleration/energy drift too large 4.61414259403940 + 10.9733112610136 split increased to 2 itime 514159 itsplit 1 - acceleration/energy drift too large 7.83055542072847 - 17.6110503066646 split increased to 2 itime 548782 + acceleration/energy drift too large 5.97565686882792 + 25.9069867717770 split increased to 2 itime 516855 itsplit 1 - acceleration/energy drift too large 4.79160474831111 - 10.1288108532966 split increased to 2 itime 549821 +Velocities reset to random values, time 103999.80 + acceleration/energy drift too large 4.01640846294708 + 11.7117082466496 split increased to 2 itime 521660 itsplit 1 -Velocities reset to random values, time 109999.80 - acceleration/energy drift too large 12.3862301115242 - 70.0068520721199 split increased to 2 itime 552933 +Velocities reset to random values, time 105999.80 + acceleration/energy drift too large 2.91066343325500 + 18.5242751047258 split increased to 2 itime 532895 itsplit 1 - acceleration/energy drift too large 7.07204517663503 - 33.2502250959477 split increased to 2 itime 553121 + acceleration/energy drift too large 4.73136076427247 + 11.4004636651319 split increased to 2 itime 534289 itsplit 1 - acceleration/energy drift too large 2.67288482498129 - 18.1086121852243 split increased to 2 itime 555413 + acceleration/energy drift too large 4.02742079827788 + 12.3340182529647 split increased to 2 itime 535238 itsplit 1 - acceleration/energy drift too large 7.73211446626071 - 28.0986147299517 split increased to 2 itime 556193 + acceleration/energy drift too large 4.18548686661115 + 11.0246835252392 split increased to 2 itime 535281 itsplit 1 - acceleration/energy drift too large 6.27120131512814 - 16.6056621058615 split increased to 2 itime 556431 + acceleration/energy drift too large 7.26372518172864 + 36.2219230160685 split increased to 2 itime 537079 itsplit 1 - acceleration/energy drift too large 6.53545401145014 - 17.3181702214668 split increased to 2 itime 557186 + acceleration/energy drift too large 5.14035389938236 + 11.7327691344663 split increased to 2 itime 538689 itsplit 1 - acceleration/energy drift too large 2.47596547907026 - 10.4208805035151 split increased to 2 itime 557252 +Velocities reset to random values, time 107999.80 + acceleration/energy drift too large 4.51563341206380 + 18.2265785388783 split increased to 2 itime 543148 itsplit 1 - acceleration/energy drift too large 5.02568288497151 - 16.0846477484121 split increased to 2 itime 557615 + acceleration/energy drift too large 6.98600930187806 + 22.0281616780724 split increased to 2 itime 546150 itsplit 1 - acceleration/energy drift too large 5.07857505966143 - 13.2435574291324 split increased to 2 itime 558569 + acceleration/energy drift too large 9.44138902436643 + 42.8546790236988 split increased to 2 itime 547997 itsplit 1 - acceleration/energy drift too large 3.86205116364816 - 12.9721389775296 split increased to 2 itime 559280 +Velocities reset to random values, time 109999.80 + acceleration/energy drift too large 7.33555091066331 + 21.2409581249673 split increased to 2 itime 553375 itsplit 1 -Velocities reset to random values, time 111999.80 - acceleration/energy drift too large 2.99030253767552 - 13.9266456705530 split increased to 2 itime 562241 + acceleration/energy drift too large 8.40346215240483 + 34.6060139412084 split increased to 2 itime 555425 itsplit 1 - acceleration/energy drift too large 3.38108237836890 - 10.7653768653146 split increased to 2 itime 562501 + acceleration/energy drift too large 5.08160965493349 + 26.5305101209948 split increased to 2 itime 555449 itsplit 1 - acceleration/energy drift too large 5.54353967446682 - 22.1760458471457 split increased to 2 itime 562868 + acceleration/energy drift too large 2.19775154762170 + 11.6997216870408 split increased to 2 itime 557387 itsplit 1 - acceleration/energy drift too large 5.21104323841252 - 17.3041008048135 split increased to 2 itime 563785 + acceleration/energy drift too large 1.47915811498575 + 11.4181550998662 split increased to 2 itime 558458 itsplit 1 - acceleration/energy drift too large 2.84510021935849 - 23.6072311408185 split increased to 2 itime 564119 + acceleration/energy drift too large 7.40674688751249 + 25.7980250531580 split increased to 2 itime 558603 itsplit 1 - acceleration/energy drift too large 4.58382816243769 - 15.8429116750557 split increased to 2 itime 565004 + acceleration/energy drift too large 2.48970509995056 + 17.5507929255567 split increased to 2 itime 559965 itsplit 1 - acceleration/energy drift too large 5.81288732478330 - 15.2971118703362 split increased to 2 itime 565368 +Velocities reset to random values, time 111999.80 + acceleration/energy drift too large 5.86918439243631 + 12.4501797213461 split increased to 2 itime 562926 itsplit 1 - acceleration/energy drift too large 5.62161271126533 - 14.5412071734199 split increased to 2 itime 565424 + acceleration/energy drift too large 4.94862795250665 + 17.1223079582701 split increased to 2 itime 563105 itsplit 1 - acceleration/energy drift too large 7.19595325174469 - 21.4820865381036 split increased to 2 itime 565650 + acceleration/energy drift too large 3.34733629114778 + 22.1435474310822 split increased to 2 itime 563904 itsplit 1 - acceleration/energy drift too large 6.63418224917685 - 26.1868011849154 split increased to 2 itime 565762 + acceleration/energy drift too large 3.49793975071332 + 15.0572661539993 split increased to 2 itime 565582 itsplit 1 - acceleration/energy drift too large 3.70944257010536 - 11.1219440765609 split increased to 2 itime 566604 + acceleration/energy drift too large 4.94365652341386 + 10.8167815942916 split increased to 2 itime 565600 itsplit 1 - acceleration/energy drift too large 4.30092461424052 - 16.9825164511491 split increased to 2 itime 566939 + acceleration/energy drift too large 2.13497412849550 + 12.5559497501989 split increased to 2 itime 567167 itsplit 1 - acceleration/energy drift too large 6.02749697911174 - 11.0830550784154 split increased to 2 itime 567105 + acceleration/energy drift too large 6.29262639367615 + 10.7149302190480 split increased to 2 itime 568237 itsplit 1 - acceleration/energy drift too large 3.51986092433453 - 10.6109347338683 split increased to 2 itime 568492 + acceleration/energy drift too large 3.90945429151435 + 15.2573143048390 split increased to 2 itime 568542 itsplit 1 - acceleration/energy drift too large 4.82972775258408 - 15.2723308027605 split increased to 2 itime 569074 + acceleration/energy drift too large 5.20493539487758 + 10.7128442098068 split increased to 2 itime 568849 itsplit 1 - acceleration/energy drift too large 4.65679985304098 - 11.4933886483429 split increased to 2 itime 569284 + acceleration/energy drift too large 2.54095273602809 + 16.3004797274468 split increased to 2 itime 569406 itsplit 1 Velocities reset to random values, time 113999.80 - acceleration/energy drift too large 7.54941569471367 - 31.7275370125797 split increased to 2 itime 571717 - itsplit 1 - acceleration/energy drift too large 6.96021050632536 - 28.2899032577741 split increased to 2 itime 575246 - itsplit 1 - acceleration/energy drift too large 1.33892218407015 - 10.4798611409334 split increased to 2 itime 577089 - itsplit 1 - acceleration/energy drift too large 4.10393752413878 - 12.3270904550999 split increased to 2 itime 577239 - itsplit 1 -Velocities reset to random values, time 115999.80 - acceleration/energy drift too large 6.13119094094969 - 11.8910217358431 split increased to 2 itime 580132 + acceleration/energy drift too large 9.17742326968023 + 29.0544029524750 split increased to 2 itime 570936 itsplit 1 - acceleration/energy drift too large 6.83157967442031 - 15.3896659364549 split increased to 2 itime 580432 + acceleration/energy drift too large 6.54840608785262 + 13.9759503442289 split increased to 2 itime 571056 itsplit 1 - acceleration/energy drift too large 3.41820888656590 - 26.1116834284304 split increased to 2 itime 580849 + acceleration/energy drift too large 2.80492652769202 + 12.3897453587319 split increased to 2 itime 574135 itsplit 1 - acceleration/energy drift too large 5.14458270353948 - 34.3642167393162 split increased to 2 itime 581943 + acceleration/energy drift too large 7.95827299688954 + 27.0970890315635 split increased to 2 itime 574629 itsplit 1 - acceleration/energy drift too large 4.90600604587959 - 32.4464514126978 split increased to 2 itime 583317 + acceleration/energy drift too large 4.58484924675718 + 10.2462644251674 split increased to 2 itime 575745 itsplit 1 - acceleration/energy drift too large 6.65296034490271 - 15.0961602600649 split increased to 2 itime 583699 + acceleration/energy drift too large 2.25332404536768 + 12.8302912384764 split increased to 2 itime 577521 itsplit 1 - acceleration/energy drift too large 6.57457922976373 - 13.4640735150194 split increased to 2 itime 584021 + acceleration/energy drift too large 10.4563882258878 + 69.0682147756401 split increased to 2 itime 577843 itsplit 1 - acceleration/energy drift too large 3.56987537864550 - 10.1330415993246 split increased to 2 itime 584406 +Velocities reset to random values, time 115999.80 + acceleration/energy drift too large 2.94382091468212 + 15.2183446455799 split increased to 2 itime 587079 itsplit 1 - acceleration/energy drift too large 4.88552779689805 - 19.8088871890450 split increased to 2 itime 584812 + acceleration/energy drift too large 9.72831816375565 + 40.5767003244547 split increased to 2 itime 588820 itsplit 1 - acceleration/energy drift too large 5.83075372970270 - 16.9227659906254 split increased to 2 itime 587573 + acceleration/energy drift too large 5.29814542992048 + 16.3104778243298 split increased to 2 itime 588879 itsplit 1 - acceleration/energy drift too large 13.1778968169276 - 73.5571946789578 split increased to 2 itime 589169 + acceleration/energy drift too large 4.86769954611960 + 33.4984288460723 split increased to 2 itime 589038 itsplit 1 - acceleration/energy drift too large 6.50616864134724 - 21.0998129265571 split increased to 2 itime 589630 + acceleration/energy drift too large 1.48259598710568 + 11.5791942939149 split increased to 2 itime 589160 itsplit 1 - acceleration/energy drift too large 5.39713503574611 - 14.8319054963819 split increased to 2 itime 589900 + acceleration/energy drift too large 5.99904653062700 + 42.6177655926637 split increased to 2 itime 589366 itsplit 1 Velocities reset to random values, time 117999.80 - acceleration/energy drift too large 9.01168976147967 - 27.1161604695109 split increased to 2 itime 591096 - itsplit 1 - acceleration/energy drift too large 4.83160333108601 - 13.9773223246657 split increased to 2 itime 592353 + acceleration/energy drift too large 2.53215878853365 + 10.7678049460087 split increased to 2 itime 591046 itsplit 1 - acceleration/energy drift too large 4.76209370814736 - 11.5022939522272 split increased to 2 itime 593561 + acceleration/energy drift too large 6.04885358313373 + 16.3385215728903 split increased to 2 itime 594530 itsplit 1 - acceleration/energy drift too large 6.11807636921755 - 13.7212306054072 split increased to 2 itime 596686 + acceleration/energy drift too large 3.21143097147966 + 17.4828366698872 split increased to 2 itime 595187 itsplit 1 - acceleration/energy drift too large 6.78895961337294 - 11.4897414315954 split increased to 2 itime 598478 + acceleration/energy drift too large 5.82613753161231 + 14.5700923952942 split increased to 2 itime 596338 itsplit 1 - acceleration/energy drift too large 4.12692973924663 - 15.2879214505011 split increased to 2 itime 598751 + acceleration/energy drift too large 8.09167763309047 + 30.6607984676892 split increased to 2 itime 597454 itsplit 1 - acceleration/energy drift too large 5.99453570163047 - 15.5054024061990 split increased to 2 itime 599208 + acceleration/energy drift too large 5.06490467569374 + 15.1352963669831 split increased to 2 itime 597655 itsplit 1 - acceleration/energy drift too large 4.23273541452622 - 11.0888322396737 split increased to 2 itime 599497 + acceleration/energy drift too large 5.95798811350407 + 13.7152227253521 split increased to 2 itime 599854 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 MIN ii_write= 1 - REMD gather times= 195.035156250000 0.000000000000000E+000 + REMD gather times= 246.597656250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj 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 0.16667 6 -ACC 4 280.00000 0.50000 6 -ACC 5 290.00000 0.33333 6 -ACC 6 300.00000 0.66667 6 -ACC 7 310.00000 0.83333 6 -ACC 8 320.00000 0.50000 6 -ACC 9 330.00000 0.50000 6 -ACC 10 340.00000 0.50000 6 +ACC 1 250.00000 0.66667 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 1.00000 6 -ACC 14 380.00000 0.83333 6 -ACC 15 390.00000 1.00000 6 +ACC 13 370.00000 0.83333 6 +ACC 14 380.00000 1.00000 6 +ACC 15 390.00000 0.83333 6 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 1.61383574334184 - 10.8703549407332 split increased to 2 itime 601915 - itsplit 1 - acceleration/energy drift too large 4.13090095140610 - 11.1305416623764 split increased to 2 itime 602078 - itsplit 1 - acceleration/energy drift too large 6.73220659860410 - 21.3521154167369 split increased to 2 itime 602202 + 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 5.38228354580940 - 19.3628689561513 split increased to 2 itime 603678 + acceleration/energy drift too large 4.40624250666789 + 12.4735464516614 split increased to 2 itime 608452 itsplit 1 - acceleration/energy drift too large 12.0334931851951 - 61.0736639252352 split increased to 2 itime 603869 + acceleration/energy drift too large 4.92471626019456 + 12.8749967985790 split increased to 2 itime 608619 itsplit 1 - acceleration/energy drift too large 4.76702234139221 - 26.4461505089406 split increased to 2 itime 608849 + acceleration/energy drift too large 2.92638293351378 + 17.2687629694548 split increased to 2 itime 608847 itsplit 1 Velocities reset to random values, time 121999.80 - acceleration/energy drift too large 4.44511623156298 - 13.9800721172987 split increased to 2 itime 611747 - itsplit 1 - acceleration/energy drift too large 4.43930572794680 - 10.9546113602159 split increased to 2 itime 612900 - itsplit 1 - acceleration/energy drift too large 3.51213287547324 - 12.0562978140125 split increased to 2 itime 613121 - itsplit 1 - acceleration/energy drift too large 6.74574712483426 - 16.9322722223233 split increased to 2 itime 614592 - itsplit 1 - acceleration/energy drift too large 5.72135799384483 - 11.5086267252639 split increased to 2 itime 615757 + acceleration/energy drift too large 6.76222420680634 + 20.4787665723596 split increased to 2 itime 610526 itsplit 1 - acceleration/energy drift too large 4.35859024009647 - 16.1479363475983 split increased to 2 itime 616392 + acceleration/energy drift too large 5.35938999590726 + 15.7494533417325 split increased to 2 itime 611332 itsplit 1 - acceleration/energy drift too large 6.51414848632314 - 15.3633918217191 split increased to 2 itime 616472 + acceleration/energy drift too large 5.33524414069573 + 10.9140893048528 split increased to 2 itime 612114 itsplit 1 - acceleration/energy drift too large 7.11915115050323 - 22.1696102637861 split increased to 2 itime 616980 + acceleration/energy drift too large 2.85977337754126 + 17.0767507163904 split increased to 2 itime 612265 itsplit 1 - acceleration/energy drift too large 3.31043475223815 - 14.0103772875270 split increased to 2 itime 616981 + acceleration/energy drift too large 3.01761334880526 + 11.9009045695825 split increased to 2 itime 615109 itsplit 1 - acceleration/energy drift too large 4.60502470883819 - 17.7599431582187 split increased to 2 itime 618292 - itsplit 1 - acceleration/energy drift too large 6.41163644570835 - 27.0074964569075 split increased to 2 itime 618484 - itsplit 1 - acceleration/energy drift too large 4.25516281210151 - 14.1364883572687 split increased to 2 itime 619672 + acceleration/energy drift too large 5.76895029471224 + 14.0020953103614 split increased to 2 itime 616290 itsplit 1 Velocities reset to random values, time 123999.80 - acceleration/energy drift too large 3.41552147289797 - 12.8946933921410 split increased to 2 itime 621264 - itsplit 1 - acceleration/energy drift too large 7.22597558509700 - 21.6260265947815 split increased to 2 itime 621939 + acceleration/energy drift too large 5.00627731892210 + 15.9344036924909 split increased to 2 itime 620150 itsplit 1 - acceleration/energy drift too large 3.32210603761968 - 11.2519363752802 split increased to 2 itime 623160 + acceleration/energy drift too large 5.30241147190562 + 11.3698028078059 split increased to 2 itime 621072 itsplit 1 - acceleration/energy drift too large 4.01434930775965 - 18.9902504838354 split increased to 2 itime 624165 + acceleration/energy drift too large 12.7833135883039 + 67.1337457993802 split increased to 2 itime 621304 itsplit 1 - acceleration/energy drift too large 3.37203456399538 - 18.3126888666996 split increased to 2 itime 624914 - itsplit 1 - acceleration/energy drift too large 8.95316826923174 - 37.8843278140647 split increased to 2 itime 627818 - itsplit 1 -Velocities reset to random values, time 125999.80 - acceleration/energy drift too large 10.3379023004573 - 45.9783221038344 split increased to 2 itime 631622 - itsplit 1 - acceleration/energy drift too large 2.70572625910498 - 11.9806694593834 split increased to 4 itime 631622 + acceleration/energy drift too large 2.32973725771269 + 10.2049498086886 split increased to 4 itime 621304 itsplit 2 - acceleration/energy drift too large 7.38833473732745 - 23.1465144946963 split increased to 2 itime 632492 - itsplit 1 - acceleration/energy drift too large 2.90133796402800 - 10.2906197866190 split increased to 2 itime 632661 + acceleration/energy drift too large 3.29420355352208 + 12.3258359780711 split increased to 2 itime 622091 itsplit 1 - acceleration/energy drift too large 6.07300016531791 - 11.8798780638794 split increased to 2 itime 634219 + acceleration/energy drift too large 5.71930806506670 + 15.7387058099748 split increased to 2 itime 623030 itsplit 1 - acceleration/energy drift too large 1.75790944113087 - 10.2202055527658 split increased to 2 itime 637515 + acceleration/energy drift too large 6.15119168429779 + 17.2693746264671 split increased to 2 itime 624095 itsplit 1 - acceleration/energy drift too large 5.91197094579359 - 27.0840891531874 split increased to 2 itime 638799 + acceleration/energy drift too large 4.93999527772330 + 13.3315197418524 split increased to 2 itime 625495 itsplit 1 - acceleration/energy drift too large 5.37636385990829 - 13.8509445515420 split increased to 2 itime 639464 + acceleration/energy drift too large 4.60198952011376 + 15.9485900764603 split increased to 2 itime 625821 itsplit 1 -Velocities reset to random values, time 127999.80 - acceleration/energy drift too large 6.29067827563317 - 24.7435043157680 split increased to 2 itime 640033 + acceleration/energy drift too large 12.0556188261804 + 69.8860709807945 split increased to 2 itime 626286 itsplit 1 - acceleration/energy drift too large 4.45349336807577 - 11.8027979354510 split increased to 2 itime 640551 + acceleration/energy drift too large 6.27665329714280 + 26.6759763933355 split increased to 2 itime 627929 itsplit 1 - acceleration/energy drift too large 5.99693024591215 - 17.6223487934020 split increased to 2 itime 641881 + acceleration/energy drift too large 5.16841085528000 + 25.5642572830610 split increased to 2 itime 628484 itsplit 1 - acceleration/energy drift too large 5.75123438901773 - 15.5573152573780 split increased to 2 itime 642826 + acceleration/energy drift too large 5.50937764328620 + 19.4157357197023 split increased to 2 itime 628606 itsplit 1 - acceleration/energy drift too large 2.69926910764448 - 10.3392180444648 split increased to 2 itime 642922 + acceleration/energy drift too large 3.05591740403203 + 24.4386443236678 split increased to 2 itime 629539 itsplit 1 - acceleration/energy drift too large 4.49392739045279 - 29.4366097203193 split increased to 2 itime 642995 + acceleration/energy drift too large 2.76462414439163 + 10.4596700568920 split increased to 2 itime 629713 itsplit 1 - acceleration/energy drift too large 3.16721991791287 - 11.1410140085252 split increased to 2 itime 643016 +Velocities reset to random values, time 125999.80 + acceleration/energy drift too large 5.04120310602140 + 12.6078173736158 split increased to 2 itime 631644 itsplit 1 - acceleration/energy drift too large 2.47282930351708 - 10.6233173102080 split increased to 2 itime 643028 + acceleration/energy drift too large 2.39949902546027 + 17.0504778937893 split increased to 2 itime 632769 itsplit 1 - acceleration/energy drift too large 2.62115225978156 - 10.9304599449762 split increased to 2 itime 643060 + acceleration/energy drift too large 3.34177919588478 + 28.0613572847578 split increased to 2 itime 635478 itsplit 1 - acceleration/energy drift too large 6.10173235570320 - 12.7519050632937 split increased to 2 itime 645166 + acceleration/energy drift too large 5.39761527381098 + 18.3093460100015 split increased to 2 itime 636093 itsplit 1 - acceleration/energy drift too large 1.70767457692884 - 10.2461804222472 split increased to 2 itime 645553 + acceleration/energy drift too large 4.54932031628597 + 13.8642384182678 split increased to 2 itime 639646 itsplit 1 - acceleration/energy drift too large 2.62147763356911 - 10.6693131113800 split increased to 2 itime 645584 +Velocities reset to random values, time 127999.80 + acceleration/energy drift too large 6.91273824347971 + 35.1469077072675 split increased to 2 itime 640532 itsplit 1 - acceleration/energy drift too large 3.28611972242092 - 10.8060499568916 split increased to 2 itime 645594 + acceleration/energy drift too large 2.65603008549948 + 13.4475672506537 split increased to 2 itime 642883 itsplit 1 - acceleration/energy drift too large 3.04980893856563 - 15.0518134298067 split increased to 2 itime 645595 + acceleration/energy drift too large 4.39385041471738 + 11.0331370806649 split increased to 2 itime 645983 itsplit 1 - acceleration/energy drift too large 4.08482546857459 - 16.6776685314898 split increased to 2 itime 647400 + acceleration/energy drift too large 7.11392505819986 + 21.3984211886317 split increased to 2 itime 647683 itsplit 1 - acceleration/energy drift too large 6.74064000101903 - 18.7386337247554 split increased to 2 itime 647449 + acceleration/energy drift too large 2.59892604791826 + 10.7126511335512 split increased to 2 itime 649346 itsplit 1 - acceleration/energy drift too large 7.24494145620149 - 24.0197299659072 split increased to 2 itime 648336 + acceleration/energy drift too large 8.43553973350020 + 37.9038255467908 split increased to 2 itime 649675 itsplit 1 - acceleration/energy drift too large 6.37578608765211 - 14.1170294530328 split increased to 2 itime 649172 + acceleration/energy drift too large 2.30066816759875 + 27.7993441832080 split increased to 2 itime 649676 itsplit 1 Velocities reset to random values, time 129999.80 - acceleration/energy drift too large 7.05603828445552 - 13.0816390658427 split increased to 2 itime 653429 + acceleration/energy drift too large 3.83954662955577 + 10.5153298841480 split increased to 2 itime 651801 itsplit 1 - acceleration/energy drift too large 6.75793990386597 - 14.1884845126677 split increased to 2 itime 653479 + acceleration/energy drift too large 3.76427566550022 + 10.9121844353233 split increased to 2 itime 652185 itsplit 1 - acceleration/energy drift too large 8.27310550670955 - 17.6617784907215 split increased to 2 itime 654646 + acceleration/energy drift too large 2.86185143034784 + 20.4232202744548 split increased to 2 itime 652275 itsplit 1 - acceleration/energy drift too large 5.05637649327615 - 12.0506782209388 split increased to 2 itime 655164 + acceleration/energy drift too large 4.29396444820257 + 10.1068911404815 split increased to 2 itime 654113 itsplit 1 - acceleration/energy drift too large 7.76722876060624 - 21.3713041337327 split increased to 2 itime 655982 + acceleration/energy drift too large 5.76822631513329 + 25.6356596718263 split increased to 2 itime 655791 itsplit 1 - acceleration/energy drift too large 2.11558271992769 - 10.9135824522643 split increased to 2 itime 656624 + acceleration/energy drift too large 1.92256810542904 + 17.0238302079479 split increased to 2 itime 655792 itsplit 1 - acceleration/energy drift too large 5.63841662647707 - 12.6340853812411 split increased to 2 itime 657227 + acceleration/energy drift too large 3.90414522769411 + 13.6878200408195 split increased to 2 itime 657293 itsplit 1 -Velocities reset to random values, time 131999.80 - acceleration/energy drift too large 7.10981221770267 - 10.6719660492955 split increased to 2 itime 660687 + acceleration/energy drift too large 4.73886927221301 + 22.3124043189652 split increased to 2 itime 658104 itsplit 1 - acceleration/energy drift too large 5.25255662550628 - 10.4791949685477 split increased to 2 itime 661942 + acceleration/energy drift too large 5.61217960662995 + 20.8143472632252 split increased to 2 itime 659317 itsplit 1 - acceleration/energy drift too large 4.90670554098452 - 14.8997497934871 split increased to 2 itime 662623 + acceleration/energy drift too large 5.27624729087840 + 11.3642346101039 split increased to 2 itime 659927 itsplit 1 - acceleration/energy drift too large 6.65732779979351 - 16.6644131896240 split increased to 2 itime 663198 +Velocities reset to random values, time 131999.80 + acceleration/energy drift too large 7.27138544505715 + 22.0522021734202 split increased to 2 itime 661344 itsplit 1 - acceleration/energy drift too large 5.22191922386254 - 11.2544790171099 split increased to 2 itime 663577 + acceleration/energy drift too large 6.76997060492267 + 18.7689454989263 split increased to 2 itime 663264 itsplit 1 - acceleration/energy drift too large 2.51332347644796 - 10.4001107014571 split increased to 2 itime 665119 + acceleration/energy drift too large 1.89498881590130 + 11.6924984697133 split increased to 2 itime 663265 itsplit 1 - acceleration/energy drift too large 2.43833879666690 - 13.8247967054443 split increased to 2 itime 669735 + acceleration/energy drift too large 4.71012071753865 + 24.7361124863986 split increased to 2 itime 665990 itsplit 1 -Velocities reset to random values, time 133999.80 - acceleration/energy drift too large 5.96793203464628 - 14.4827336571532 split increased to 2 itime 671289 + acceleration/energy drift too large 4.25256813735382 + 16.7266556658472 split increased to 2 itime 668575 itsplit 1 - acceleration/energy drift too large 5.71587947456280 - 14.7745597113328 split increased to 2 itime 672408 +Velocities reset to random values, time 133999.80 + acceleration/energy drift too large 2.97028645724151 + 15.4115514672812 split increased to 2 itime 670170 itsplit 1 - acceleration/energy drift too large 5.48497438921223 - 12.1568427051958 split increased to 2 itime 676680 + acceleration/energy drift too large 4.71276635535120 + 13.9001211104302 split increased to 2 itime 670546 itsplit 1 - acceleration/energy drift too large 2.15692391202057 - 10.7919052767619 split increased to 2 itime 677075 + acceleration/energy drift too large 4.05665159859389 + 13.6518927915944 split increased to 2 itime 670791 itsplit 1 - acceleration/energy drift too large 5.32841318713589 - 18.0599331053517 split increased to 2 itime 678075 + acceleration/energy drift too large 4.81382067786864 + 10.7371078384639 split increased to 2 itime 671360 itsplit 1 - acceleration/energy drift too large 10.4983782829775 - 57.2214990313819 split increased to 2 itime 678749 + acceleration/energy drift too large 2.35211449692875 + 16.1371186919273 split increased to 2 itime 674269 itsplit 1 - acceleration/energy drift too large 6.75292451703138 - 13.8930163231851 split increased to 2 itime 678894 + acceleration/energy drift too large 3.45858212223954 + 10.6453284092327 split increased to 2 itime 676102 itsplit 1 - acceleration/energy drift too large 2.59487793515253 - 12.3356631865565 split increased to 2 itime 678983 + acceleration/energy drift too large 3.18069158781499 + 10.5184494090905 split increased to 2 itime 677010 itsplit 1 - acceleration/energy drift too large 2.66464124140996 - 17.1202670755749 split increased to 2 itime 679490 + acceleration/energy drift too large 8.27044292755897 + 17.8680409062391 split increased to 2 itime 677100 itsplit 1 Velocities reset to random values, time 135999.80 - acceleration/energy drift too large 8.98112518027019 - 27.4521750157633 split increased to 2 itime 683676 - itsplit 1 - acceleration/energy drift too large 5.32368642990992 - 16.4878339869579 split increased to 2 itime 684357 - itsplit 1 - acceleration/energy drift too large 13.5157746278577 - 74.0054818361155 split increased to 2 itime 684621 + acceleration/energy drift too large 3.81821696054580 + 24.2526821441175 split increased to 2 itime 681744 itsplit 1 - acceleration/energy drift too large 3.11641451014671 - 15.3328965898951 split increased to 4 itime 684621 - itsplit 2 - acceleration/energy drift too large 3.83946781163305 - 10.1157683026041 split increased to 2 itime 684843 - itsplit 1 - acceleration/energy drift too large 7.37229988676769 - 20.9688926608233 split increased to 2 itime 685060 - itsplit 1 - acceleration/energy drift too large 6.05549116788822 - 12.4171605308774 split increased to 2 itime 686331 + acceleration/energy drift too large 6.99061182290122 + 24.7359107735812 split increased to 2 itime 684913 itsplit 1 - acceleration/energy drift too large 4.50860242713658 - 10.7451491400415 split increased to 2 itime 686855 + acceleration/energy drift too large 3.98290241303336 + 11.7275853703771 split increased to 2 itime 686533 itsplit 1 - acceleration/energy drift too large 7.67206357961921 - 21.9534349853498 split increased to 2 itime 687130 + acceleration/energy drift too large 4.86885150597400 + 15.2934903355320 split increased to 2 itime 686885 itsplit 1 - acceleration/energy drift too large 4.67960302617472 - 10.3945718470318 split increased to 2 itime 687406 + acceleration/energy drift too large 4.71754649980239 + 12.8462508471881 split increased to 2 itime 687700 itsplit 1 - acceleration/energy drift too large 5.37410928380272 - 16.5280981260831 split increased to 2 itime 687978 - itsplit 1 - acceleration/energy drift too large 6.58378268465171 - 32.4602177741036 split increased to 2 itime 688139 - itsplit 1 - acceleration/energy drift too large 10.5213741684151 - 51.3532308630975 split increased to 2 itime 688945 + acceleration/energy drift too large 4.57767748221234 + 11.0000678006552 split increased to 2 itime 688084 itsplit 1 Velocities reset to random values, time 137999.80 - acceleration/energy drift too large 7.15818315439346 - 14.7711098991745 split increased to 2 itime 690123 - itsplit 1 - acceleration/energy drift too large 5.13345826735310 - 12.9154423939417 split increased to 2 itime 690452 + acceleration/energy drift too large 13.2997689068681 + 94.4635984333734 split increased to 2 itime 692228 itsplit 1 - acceleration/energy drift too large 3.69828575920798 - 13.7984282146694 split increased to 2 itime 690759 + acceleration/energy drift too large 8.77309310113610 + 19.8602818129925 split increased to 2 itime 693015 itsplit 1 - acceleration/energy drift too large 12.9113759021292 - 57.1071362044076 split increased to 2 itime 690869 - itsplit 1 - acceleration/energy drift too large 4.03032808784480 - 10.1613099293257 split increased to 2 itime 692840 - itsplit 1 - acceleration/energy drift too large 2.66692454099747 - 18.1850064454467 split increased to 2 itime 694427 - itsplit 1 - acceleration/energy drift too large 5.85125477896762 - 16.9846206804245 split increased to 2 itime 696768 - itsplit 1 - acceleration/energy drift too large 8.86495403644284 - 30.0966871554674 split increased to 2 itime 697025 - itsplit 1 - acceleration/energy drift too large 5.57468537830864 - 20.3692042181053 split increased to 2 itime 697139 - itsplit 1 - acceleration/energy drift too large 4.46260172527485 - 12.2672786320640 split increased to 2 itime 697501 + acceleration/energy drift too large 3.71047698450896 + 21.9360083048692 split increased to 2 itime 694769 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 MIN ii_write= 1 - REMD gather times= 227.496093750000 0.000000000000000E+000 + REMD gather times= 287.238281250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.28571 7 -ACC 2 260.00000 0.28571 7 -ACC 3 270.00000 0.14286 7 -ACC 4 280.00000 0.57143 7 -ACC 5 290.00000 0.28571 7 -ACC 6 300.00000 0.71429 7 -ACC 7 310.00000 0.85714 7 -ACC 8 320.00000 0.42857 7 +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 0.57143 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 1.00000 7 -ACC 14 380.00000 0.71429 7 -ACC 15 390.00000 1.00000 7 +ACC 13 370.00000 0.85714 7 +ACC 14 380.00000 1.00000 7 +ACC 15 390.00000 0.71429 7 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 9.48111853840265 - 37.3554901747500 split increased to 2 itime 700269 - itsplit 1 - acceleration/energy drift too large 5.92652634184808 - 15.1625569006554 split increased to 2 itime 700670 - itsplit 1 - acceleration/energy drift too large 5.79815268365684 - 15.3208988252801 split increased to 2 itime 701066 - itsplit 1 - acceleration/energy drift too large 6.06539827063121 - 10.0975632460788 split increased to 2 itime 701439 - itsplit 1 - acceleration/energy drift too large 4.41167682862143 - 11.2960213307414 split increased to 2 itime 708298 - itsplit 1 - acceleration/energy drift too large 5.83749424212255 - 14.4170464613483 split increased to 2 itime 708807 + acceleration/energy drift too large 10.3778105513077 + 45.5705698821442 split increased to 2 itime 700713 itsplit 1 -Velocities reset to random values, time 141999.80 - acceleration/energy drift too large 3.11628270111409 - 10.9421282167708 split increased to 2 itime 710015 - itsplit 1 - acceleration/energy drift too large 2.48428420081342 - 10.7218168860647 split increased to 2 itime 710021 - itsplit 1 - acceleration/energy drift too large 3.38403592328471 - 10.5988596696206 split increased to 2 itime 710023 - itsplit 1 - acceleration/energy drift too large 3.64632714394122 - 24.9674676452095 split increased to 2 itime 710024 - itsplit 1 - acceleration/energy drift too large 2.53849806155195 - 11.7576421358898 split increased to 2 itime 710026 - itsplit 1 - acceleration/energy drift too large 3.58350553417218 - 11.4437948159201 split increased to 2 itime 711659 + acceleration/energy drift too large 7.27573280681885 + 24.9773549123473 split increased to 2 itime 701689 itsplit 1 - acceleration/energy drift too large 2.32418304338524 - 12.0403672971422 split increased to 2 itime 711660 + acceleration/energy drift too large 6.95000881352936 + 21.0349886412081 split increased to 2 itime 703581 itsplit 1 - acceleration/energy drift too large 2.42805959448394 - 14.8632007111289 split increased to 2 itime 712797 + acceleration/energy drift too large 5.69628876858718 + 23.8161175695906 split increased to 2 itime 704264 itsplit 1 - acceleration/energy drift too large 5.68015846820261 - 11.2926593529828 split increased to 2 itime 713572 + acceleration/energy drift too large 3.93928634771575 + 10.1940724001607 split increased to 2 itime 704705 itsplit 1 - acceleration/energy drift too large 9.21396852521451 - 37.1458138780936 split increased to 2 itime 713787 + acceleration/energy drift too large 6.27973560454849 + 14.9305840329817 split increased to 2 itime 707585 itsplit 1 - acceleration/energy drift too large 0.106769918407327 - 22.8161695510620 split increased to 2 itime 713788 + acceleration/energy drift too large 6.31623307196396 + 19.7653590101662 split increased to 2 itime 707795 itsplit 1 - acceleration/energy drift too large 8.90049746501867 - 40.0440672197960 split increased to 2 itime 713944 + acceleration/energy drift too large 5.64308742094512 + 16.3528520241839 split increased to 2 itime 708635 itsplit 1 - acceleration/energy drift too large 4.41848576780768 - 11.8317790664630 split increased to 2 itime 713974 + acceleration/energy drift too large 4.64674972802479 + 18.9843998879432 split increased to 2 itime 709649 itsplit 1 - acceleration/energy drift too large 7.80451541812845 - 30.8602288486198 split increased to 2 itime 714514 - itsplit 1 - acceleration/energy drift too large 7.24656117993099 - 21.2015267390908 split increased to 2 itime 715696 +Velocities reset to random values, time 141999.80 + acceleration/energy drift too large 9.57199415528501 + 44.9230058722958 split increased to 2 itime 710918 itsplit 1 - acceleration/energy drift too large 4.29602244471840 - 12.4356127685082 split increased to 2 itime 716071 + acceleration/energy drift too large 6.27829155238554 + 20.2094809942395 split increased to 2 itime 712410 itsplit 1 - acceleration/energy drift too large 4.74158122281652 - 15.3361576590736 split increased to 2 itime 717477 + acceleration/energy drift too large 4.94108339671913 + 16.2454096534851 split increased to 2 itime 714916 itsplit 1 - acceleration/energy drift too large 7.24162757349097 - 24.4939566977319 split increased to 2 itime 717937 + acceleration/energy drift too large 1.58139072088629 + 11.3134504660929 split increased to 2 itime 717821 itsplit 1 - acceleration/energy drift too large 3.80194827027654 - 11.2278036453757 split increased to 2 itime 719828 + acceleration/energy drift too large 5.62619364680017 + 19.0758211139970 split increased to 2 itime 719701 itsplit 1 Velocities reset to random values, time 143999.80 - acceleration/energy drift too large 5.72782673065057 - 12.1612164922536 split increased to 2 itime 721340 - itsplit 1 - acceleration/energy drift too large 2.80136494818698 - 13.4546088191659 split increased to 2 itime 722273 + acceleration/energy drift too large 8.90664511810799 + 30.7245742938004 split increased to 2 itime 720639 itsplit 1 - acceleration/energy drift too large 5.21377529799895 - 16.4543503622877 split increased to 2 itime 722921 + acceleration/energy drift too large 4.18101659782279 + 14.5463771146216 split increased to 2 itime 721665 itsplit 1 - acceleration/energy drift too large 6.74337265247742 - 13.5768408818075 split increased to 2 itime 723012 + acceleration/energy drift too large 6.31798074268771 + 18.6648250851177 split increased to 2 itime 723347 itsplit 1 - acceleration/energy drift too large 7.06799873558812 - 13.1597107220358 split increased to 2 itime 723684 + acceleration/energy drift too large 5.45922533867425 + 12.5303171763889 split increased to 2 itime 724356 itsplit 1 - acceleration/energy drift too large 2.46886350127129 - 12.2605346794587 split increased to 2 itime 727665 + acceleration/energy drift too large 3.66629266475106 + 14.9568924600617 split increased to 2 itime 727915 itsplit 1 - acceleration/energy drift too large 2.74879152809633 - 16.6596768449764 split increased to 2 itime 728113 + acceleration/energy drift too large 9.13010064304933 + 37.8993733018647 split increased to 2 itime 728265 itsplit 1 - acceleration/energy drift too large 3.70222923334393 - 10.4206060728096 split increased to 2 itime 728578 - itsplit 1 - acceleration/energy drift too large 8.38697111084772 - 24.5520288677278 split increased to 2 itime 728653 - itsplit 1 - acceleration/energy drift too large 6.55300226654904 - 12.4839620131983 split increased to 2 itime 729798 + acceleration/energy drift too large 5.32719379476917 + 19.3222371399577 split increased to 2 itime 729233 itsplit 1 Velocities reset to random values, time 145999.80 - acceleration/energy drift too large 4.52688412267505 - 12.1778120722852 split increased to 2 itime 730127 - itsplit 1 - acceleration/energy drift too large 7.27002570163120 - 22.9496763352238 split increased to 2 itime 730293 + acceleration/energy drift too large 7.21564885130355 + 18.1218745084352 split increased to 2 itime 733183 itsplit 1 - acceleration/energy drift too large 5.80078824337604 - 24.1179240500528 split increased to 2 itime 731025 + acceleration/energy drift too large 4.18084418088015 + 11.0738642328025 split increased to 2 itime 733427 itsplit 1 - acceleration/energy drift too large 3.01841900597338 - 17.0827045480764 split increased to 2 itime 733316 + acceleration/energy drift too large 5.87958189450254 + 24.7461867274068 split increased to 2 itime 735277 itsplit 1 - acceleration/energy drift too large 3.83421158293151 - 10.6573951084954 split increased to 2 itime 733722 + acceleration/energy drift too large 6.18748492772104 + 14.9326830525905 split increased to 2 itime 735435 itsplit 1 - acceleration/energy drift too large 3.84568400644585 - 25.6246692571675 split increased to 2 itime 738162 + acceleration/energy drift too large 6.83995181617502 + 16.7581154678553 split increased to 2 itime 737989 itsplit 1 - acceleration/energy drift too large 9.65148432617272 - 22.9353514656327 split increased to 2 itime 738372 + acceleration/energy drift too large 1.67490689483482 + 10.7839989694902 split increased to 2 itime 737990 itsplit 1 - acceleration/energy drift too large 2.30351365362488 - 11.5766459543138 split increased to 2 itime 738373 - itsplit 1 - acceleration/energy drift too large 2.41568109968673 - 11.0806841100755 split increased to 2 itime 739768 - itsplit 1 - acceleration/energy drift too large 6.17649060267068 - 12.4134296819427 split increased to 2 itime 739869 + acceleration/energy drift too large 6.79184559076221 + 15.8180365298599 split increased to 2 itime 739398 itsplit 1 Velocities reset to random values, time 147999.80 - acceleration/energy drift too large 3.19419989383782 - 29.0491254496017 split increased to 2 itime 740275 - itsplit 1 - acceleration/energy drift too large 4.53932184219639 - 18.9125153316458 split increased to 2 itime 741257 + acceleration/energy drift too large 3.30831403126013 + 11.1859602450591 split increased to 2 itime 742022 itsplit 1 - acceleration/energy drift too large 6.66409989160522 - 15.7527220510082 split increased to 2 itime 742923 + acceleration/energy drift too large 4.07888915912230 + 13.2748829366573 split increased to 2 itime 742027 itsplit 1 - acceleration/energy drift too large 5.08549409274227 - 18.8842862760581 split increased to 2 itime 743152 + acceleration/energy drift too large 5.72499011188089 + 15.3263852424929 split increased to 2 itime 742738 itsplit 1 - acceleration/energy drift too large 2.83180760254276 - 12.1885186578404 split increased to 2 itime 743430 + acceleration/energy drift too large 7.83185407579471 + 19.4951971527134 split increased to 2 itime 743233 itsplit 1 - acceleration/energy drift too large 5.46420460685356 - 11.1275707592010 split increased to 2 itime 744439 - itsplit 1 - acceleration/energy drift too large 2.81758019912195 - 20.4492849189267 split increased to 2 itime 748415 - itsplit 1 - acceleration/energy drift too large 5.85048355646658 - 11.1839991700051 split increased to 2 itime 749296 + acceleration/energy drift too large 6.52887497863429 + 21.4564475249590 split increased to 2 itime 749310 itsplit 1 Velocities reset to random values, time 149999.80 - acceleration/energy drift too large 4.88684548539567 - 11.4767290070410 split increased to 2 itime 751536 - itsplit 1 - acceleration/energy drift too large 2.59072324024931 - 16.4373749369956 split increased to 2 itime 752066 + acceleration/energy drift too large 4.94921375391011 + 12.2242079505662 split increased to 2 itime 750276 itsplit 1 - acceleration/energy drift too large 7.35073203984059 - 33.7807795980702 split increased to 2 itime 754963 + acceleration/energy drift too large 11.1679888745769 + 62.0550631922757 split increased to 2 itime 752053 itsplit 1 - acceleration/energy drift too large 3.79253420111213 - 10.1516805137794 split increased to 2 itime 754964 + acceleration/energy drift too large 4.89572586133282 + 10.7894332258531 split increased to 2 itime 755735 itsplit 1 - acceleration/energy drift too large 6.33588535096383 - 18.1585955158809 split increased to 2 itime 755746 + acceleration/energy drift too large 4.63367814375340 + 16.0053753500892 split increased to 2 itime 755990 itsplit 1 - acceleration/energy drift too large 4.25126564387823 - 16.4272801868394 split increased to 2 itime 756601 + acceleration/energy drift too large 6.70881450263157 + 21.9401424860544 split increased to 2 itime 756758 itsplit 1 - acceleration/energy drift too large 3.99524059314491 - 12.2937256147512 split increased to 2 itime 757595 - itsplit 1 - acceleration/energy drift too large 2.31570157723142 - 10.3463154443897 split increased to 2 itime 757890 - itsplit 1 - acceleration/energy drift too large 7.07350324380949 - 22.9036457575273 split increased to 2 itime 758372 - itsplit 1 - acceleration/energy drift too large 6.92149712332671 - 18.7065658373756 split increased to 2 itime 759045 - itsplit 1 - acceleration/energy drift too large 3.75418468437547 - 11.2267907412702 split increased to 2 itime 759422 + acceleration/energy drift too large 2.59574291918531 + 15.1827344266691 split increased to 2 itime 757037 itsplit 1 Velocities reset to random values, time 151999.80 - acceleration/energy drift too large 6.55590958378466 - 19.4943107855686 split increased to 2 itime 760130 - itsplit 1 - acceleration/energy drift too large 4.96341022660263 - 10.4796238965439 split increased to 2 itime 760609 + acceleration/energy drift too large 7.32034953554721 + 19.8162048344026 split increased to 2 itime 760706 itsplit 1 - acceleration/energy drift too large 4.28685045772715 - 17.2542038365198 split increased to 2 itime 762225 + acceleration/energy drift too large 7.48416048631258 + 27.1719402067542 split increased to 2 itime 762342 itsplit 1 - acceleration/energy drift too large 4.79139054576949 - 21.1929841889114 split increased to 2 itime 762332 + acceleration/energy drift too large 4.18588105437259 + 15.4932857043460 split increased to 2 itime 762864 itsplit 1 - acceleration/energy drift too large 2.19567166863080 - 19.6078390539336 split increased to 2 itime 762442 + acceleration/energy drift too large 6.54325795200421 + 20.9453564287120 split increased to 2 itime 763167 itsplit 1 - acceleration/energy drift too large 4.15562192183137 - 12.4052280101841 split increased to 2 itime 763270 + acceleration/energy drift too large 1.45408992370410 + 10.6691353890354 split increased to 2 itime 763168 itsplit 1 - acceleration/energy drift too large 6.67800779274290 - 10.8542006922579 split increased to 2 itime 763739 + acceleration/energy drift too large 2.82344793669962 + 14.7804760111857 split increased to 2 itime 764078 itsplit 1 - acceleration/energy drift too large 5.48945576396763 - 12.8426320077445 split increased to 2 itime 764978 + acceleration/energy drift too large 8.31820693210541 + 33.9992073588097 split increased to 2 itime 766434 itsplit 1 - acceleration/energy drift too large 2.41550070219384 - 10.4457610483471 split increased to 2 itime 765126 - itsplit 1 - acceleration/energy drift too large 8.30488215313361 - 20.5712218028977 split increased to 2 itime 765938 - itsplit 1 - acceleration/energy drift too large 2.68655262335729 - 14.5031465966545 split increased to 2 itime 769068 - itsplit 1 - acceleration/energy drift too large 14.3202262639808 - 74.1945645100843 split increased to 2 itime 769149 - itsplit 1 - acceleration/energy drift too large 6.37265317434364 - 10.3835483532290 split increased to 2 itime 769812 - itsplit 1 - acceleration/energy drift too large 5.41705913040113 - 19.2727135608556 split increased to 2 itime 769936 + acceleration/energy drift too large 2.96568614245952 + 11.4882593662374 split increased to 2 itime 767142 itsplit 1 Velocities reset to random values, time 153999.80 - acceleration/energy drift too large 2.65338508012329 - 18.2283304069230 split increased to 2 itime 770664 - itsplit 1 - acceleration/energy drift too large 7.78750398107057 - 23.4268212675427 split increased to 2 itime 771560 + acceleration/energy drift too large 6.97846234309328 + 21.1599471495579 split increased to 2 itime 770104 itsplit 1 - acceleration/energy drift too large 4.02270381472729 - 11.5911587335225 split increased to 2 itime 771572 + acceleration/energy drift too large 6.07186105990665 + 17.0411709570779 split increased to 2 itime 772282 itsplit 1 - acceleration/energy drift too large 7.24443763098898 - 17.3157345279854 split increased to 2 itime 772444 + acceleration/energy drift too large 4.13149609079361 + 16.1542632063644 split increased to 2 itime 773044 itsplit 1 - acceleration/energy drift too large 3.62766204619302 - 23.3847550239658 split increased to 2 itime 773643 + acceleration/energy drift too large 3.58024752183285 + 10.9986196865224 split increased to 2 itime 774074 itsplit 1 - acceleration/energy drift too large 7.73110985048388 - 22.3274899589543 split increased to 2 itime 774180 + acceleration/energy drift too large 4.65933869631464 + 11.3020894912283 split increased to 2 itime 775762 itsplit 1 - acceleration/energy drift too large 1.81456262597225 - 10.2289470769982 split increased to 2 itime 774964 - itsplit 1 - acceleration/energy drift too large 4.77104751390150 - 24.4200863473633 split increased to 2 itime 777295 - itsplit 1 - acceleration/energy drift too large 8.23848280431424 - 16.7089880075257 split increased to 2 itime 778458 - itsplit 1 - acceleration/energy drift too large 1.96611316381944 - 13.3068889340193 split increased to 2 itime 779390 - itsplit 1 - acceleration/energy drift too large 2.68269098733308 - 15.4345310766816 split increased to 2 itime 779472 + acceleration/energy drift too large 6.64324453541183 + 23.8329909845452 split increased to 2 itime 777131 itsplit 1 Velocities reset to random values, time 155999.80 - acceleration/energy drift too large 6.08631073696335 - 14.1857149912418 split increased to 2 itime 781128 - itsplit 1 - acceleration/energy drift too large 7.64876551395536 - 28.2934275516627 split increased to 2 itime 781643 + acceleration/energy drift too large 6.21725848487174 + 25.5192016738765 split increased to 2 itime 781969 itsplit 1 - acceleration/energy drift too large 1.65150666469985 - 11.3058518352293 split increased to 2 itime 781644 + acceleration/energy drift too large 5.28482788139553 + 11.5832453886868 split increased to 2 itime 782431 itsplit 1 - acceleration/energy drift too large 3.19338093587230 - 15.8156283500549 split increased to 2 itime 781853 + acceleration/energy drift too large 5.41197131488078 + 20.5645222904982 split increased to 2 itime 785602 itsplit 1 - acceleration/energy drift too large 7.51814928754246 - 15.3942026491305 split increased to 2 itime 782057 + acceleration/energy drift too large 4.21617607792446 + 12.4151289744401 split increased to 2 itime 785662 itsplit 1 - acceleration/energy drift too large 11.1570385150250 - 52.8792077583558 split increased to 2 itime 784630 + acceleration/energy drift too large 5.65334441539085 + 19.8128836173558 split increased to 2 itime 785798 itsplit 1 - acceleration/energy drift too large 2.47711238145094 - 11.1275614329443 split increased to 4 itime 784630 - itsplit 2 - acceleration/energy drift too large 6.67988208791786 - 17.2248826171143 split increased to 2 itime 784857 + acceleration/energy drift too large 6.83070723864076 + 19.6384142278756 split increased to 2 itime 786290 itsplit 1 - acceleration/energy drift too large 6.57037342439842 - 14.0873436511116 split increased to 2 itime 784873 + acceleration/energy drift too large 5.46846480378341 + 13.6903747152896 split increased to 2 itime 786291 itsplit 1 - acceleration/energy drift too large 7.13770580416722 - 13.6481273516105 split increased to 2 itime 785792 + acceleration/energy drift too large 13.0371271915984 + 83.8643176917916 split increased to 2 itime 786459 itsplit 1 - acceleration/energy drift too large 4.41598008239338 - 14.7027053964525 split increased to 2 itime 786898 + acceleration/energy drift too large 2.53750747410760 + 13.1257901957793 split increased to 4 itime 786459 itsplit 1 - acceleration/energy drift too large 3.01778004354443 - 13.5268941264796 split increased to 2 itime 787024 + acceleration/energy drift too large 5.05341198342882 + 18.6910663504077 split increased to 2 itime 786526 itsplit 1 - acceleration/energy drift too large 3.82485347191422 - 15.2306172963860 split increased to 2 itime 787226 + acceleration/energy drift too large 5.54498610041270 + 10.1127896865556 split increased to 2 itime 788113 itsplit 1 - acceleration/energy drift too large 2.39817914582185 - 10.1074315975894 split increased to 2 itime 787317 + acceleration/energy drift too large 2.90616231253841 + 17.3750446284212 split increased to 2 itime 788363 itsplit 1 - acceleration/energy drift too large 6.27314072074063 - 18.3138941886135 split increased to 2 itime 788621 - itsplit 1 - acceleration/energy drift too large 4.99020487564879 - 12.5705552876649 split increased to 2 itime 788908 + acceleration/energy drift too large 5.71484421940178 + 14.9752755984658 split increased to 2 itime 788521 itsplit 1 Velocities reset to random values, time 157999.80 - acceleration/energy drift too large 11.1575314870851 - 50.4528009695359 split increased to 2 itime 792019 - itsplit 1 - acceleration/energy drift too large 9.19395571448687 - 43.3527902848097 split increased to 2 itime 793235 - itsplit 1 - acceleration/energy drift too large 9.62756534992418 - 47.5344506914747 split increased to 2 itime 793291 - itsplit 1 - acceleration/energy drift too large 3.76857428974905 - 13.8317456983157 split increased to 2 itime 793292 - itsplit 1 - acceleration/energy drift too large 2.99088901104746 - 14.5313187730571 split increased to 2 itime 793311 - itsplit 1 - acceleration/energy drift too large 5.62990680970384 - 11.0099656047654 split increased to 2 itime 794150 + acceleration/energy drift too large 3.48438872244240 + 11.0277705412612 split increased to 2 itime 791053 itsplit 1 - acceleration/energy drift too large 7.25147605047218 - 25.1558180331533 split increased to 2 itime 795221 + acceleration/energy drift too large 7.28480866116712 + 21.8225684294232 split increased to 2 itime 793001 itsplit 1 - acceleration/energy drift too large 12.8975509930814 - 68.4949057161906 split increased to 2 itime 795398 + acceleration/energy drift too large 3.15715745140506 + 17.8421191129000 split increased to 2 itime 793953 itsplit 1 - acceleration/energy drift too large 7.37688326608030 - 12.4732805985511 split increased to 2 itime 796169 + acceleration/energy drift too large 3.15369662510729 + 11.0968276137573 split increased to 2 itime 794883 itsplit 1 - acceleration/energy drift too large 3.04329912000243 - 16.4115087312489 split increased to 2 itime 798661 - itsplit 1 - acceleration/energy drift too large 7.21552859647106 - 19.8684592979951 split increased to 2 itime 799560 - itsplit 1 - acceleration/energy drift too large 7.13321694859787 - 13.1035511102310 split increased to 2 itime 799561 - itsplit 1 - acceleration/energy drift too large 2.53698696597176 - 13.2101962190522 split increased to 2 itime 799567 + acceleration/energy drift too large 7.72057481913265 + 24.8835100133885 split increased to 2 itime 798908 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 MIN ii_write= 1 - REMD gather times= 260.140625000000 0.000000000000000E+000 + REMD gather times= 328.550781250000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.25000 8 -ACC 2 260.00000 0.25000 8 -ACC 3 270.00000 0.12500 8 -ACC 4 280.00000 0.50000 8 -ACC 5 290.00000 0.37500 8 -ACC 6 300.00000 0.75000 8 -ACC 7 310.00000 0.75000 8 -ACC 8 320.00000 0.50000 8 +ACC 1 250.00000 0.50000 8 +ACC 2 260.00000 0.12500 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 0.50000 8 +ACC 10 340.00000 0.75000 8 ACC 11 350.00000 0.62500 8 -ACC 12 360.00000 1.00000 8 -ACC 13 370.00000 1.00000 8 -ACC 14 380.00000 0.75000 8 -ACC 15 390.00000 1.00000 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 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 2.49560117263529 - 12.3356114331076 split increased to 2 itime 801393 - itsplit 1 - acceleration/energy drift too large 2.68666226977592 - 14.1073489053055 split increased to 2 itime 801780 - itsplit 1 - acceleration/energy drift too large 6.28195659361892 - 15.1347694948240 split increased to 2 itime 801913 - itsplit 1 - acceleration/energy drift too large 3.33990698870006 - 16.2959306575547 split increased to 2 itime 802690 - itsplit 1 - acceleration/energy drift too large 2.25603803205069 - 11.2759948540232 split increased to 2 itime 802784 + 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 6.06649723495989 - 27.1236674896159 split increased to 2 itime 803868 + acceleration/energy drift too large 3.68687740502707 + 13.1131661952979 split increased to 2 itime 800387 itsplit 1 - acceleration/energy drift too large 1.76184697869429 - 12.5354068521887 split increased to 2 itime 803869 + acceleration/energy drift too large 6.62429806890289 + 12.2670178116433 split increased to 2 itime 800938 itsplit 1 - acceleration/energy drift too large 13.7393612938053 - 105.314521051185 split increased to 2 itime 803954 + acceleration/energy drift too large 6.00459371892473 + 15.9760740580868 split increased to 2 itime 802758 itsplit 1 - acceleration/energy drift too large 6.39829920904918 - 29.7066707076645 split increased to 2 itime 805716 + acceleration/energy drift too large 4.17606065745418 + 10.2323470782529 split increased to 2 itime 803761 itsplit 1 - acceleration/energy drift too large 11.2809067376822 - 85.4809057346991 split increased to 2 itime 805965 + acceleration/energy drift too large 7.14104757757157 + 20.7982096617325 split increased to 2 itime 804047 itsplit 1 - acceleration/energy drift too large 5.16315098747571 - 14.6334255936545 split increased to 2 itime 807126 + acceleration/energy drift too large 2.83314361087813 + 12.8493895575084 split increased to 4 itime 804047 itsplit 1 - acceleration/energy drift too large 3.04202243189798 - 12.4034331407945 split increased to 2 itime 807813 + acceleration/energy drift too large 3.33130572746387 + 14.4036278564385 split increased to 2 itime 806263 itsplit 1 - acceleration/energy drift too large 4.61196912165306 - 10.9756846369713 split increased to 2 itime 807903 + acceleration/energy drift too large 12.1916474879637 + 56.5697056781182 split increased to 2 itime 807235 itsplit 1 - acceleration/energy drift too large 3.36725671702218 - 23.7278988386518 split increased to 2 itime 808414 + acceleration/energy drift too large 6.24713930055895 + 18.6589292216253 split increased to 2 itime 808243 itsplit 1 - acceleration/energy drift too large 6.36914601316082 - 14.6148477746338 split increased to 2 itime 808637 + acceleration/energy drift too large 6.03295922073790 + 40.7623276865984 split increased to 2 itime 808686 itsplit 1 - acceleration/energy drift too large 7.51700144675740 - 24.3778459328923 split increased to 2 itime 808807 + acceleration/energy drift too large 3.76743568790769 + 14.6040332829347 split increased to 2 itime 809142 itsplit 1 - acceleration/energy drift too large 8.15724043951756 - 18.2389594890401 split increased to 2 itime 808853 + acceleration/energy drift too large 4.13754874438400 + 18.2337725436080 split increased to 2 itime 809623 itsplit 1 Velocities reset to random values, time 161999.80 - acceleration/energy drift too large 5.05353758900526 - 19.9487190282516 split increased to 2 itime 811132 + acceleration/energy drift too large 4.61915591810941 + 15.2083008276129 split increased to 2 itime 812048 itsplit 1 - acceleration/energy drift too large 7.35131152245022 - 17.9190768090841 split increased to 2 itime 811189 + acceleration/energy drift too large 6.67026259160006 + 16.1113234821336 split increased to 2 itime 813913 itsplit 1 - acceleration/energy drift too large 13.6542022900821 - 82.5490042083586 split increased to 2 itime 811502 + acceleration/energy drift too large 5.58387686436455 + 34.9327419785173 split increased to 2 itime 815133 itsplit 1 - acceleration/energy drift too large 2.26127983181184 - 10.1351707382094 split increased to 4 itime 811502 + acceleration/energy drift too large 4.08276807715154 + 19.0777719391742 split increased to 2 itime 816262 itsplit 1 - acceleration/energy drift too large 6.75823790596674 - 22.1115011809634 split increased to 2 itime 811527 + acceleration/energy drift too large 5.27950585884284 + 24.6189440909066 split increased to 2 itime 816612 itsplit 1 - acceleration/energy drift too large 4.57592671062124 - 12.9823309068691 split increased to 2 itime 813233 + acceleration/energy drift too large 6.81190392531213 + 24.6797017641099 split increased to 2 itime 816866 itsplit 1 - acceleration/energy drift too large 2.68704486328404 - 10.5845754320962 split increased to 2 itime 813271 + acceleration/energy drift too large 2.93320265977883 + 21.3972634743811 split increased to 2 itime 817074 itsplit 1 - acceleration/energy drift too large 7.25552506712819 - 17.5386551937626 split increased to 2 itime 813935 + acceleration/energy drift too large 7.48598917794396 + 32.6082284070652 split increased to 2 itime 817318 itsplit 1 - acceleration/energy drift too large 3.11262022119854 - 15.4771516739353 split increased to 2 itime 815078 + acceleration/energy drift too large 8.26129258186401 + 30.6228226158735 split increased to 2 itime 817966 itsplit 1 - acceleration/energy drift too large 3.96177052316574 - 28.4677161427700 split increased to 2 itime 815140 + acceleration/energy drift too large 4.77570704216971 + 22.0248529530527 split increased to 2 itime 818008 itsplit 1 - acceleration/energy drift too large 6.77365741524387 - 16.9618594515644 split increased to 2 itime 815423 + acceleration/energy drift too large 5.35228511113650 + 15.6578021514609 split increased to 2 itime 818163 itsplit 1 - acceleration/energy drift too large 3.19900949442022 - 16.7634629858129 split increased to 2 itime 815531 + acceleration/energy drift too large 4.46753689895765 + 24.3214321902305 split increased to 2 itime 818329 itsplit 1 - acceleration/energy drift too large 3.15534061463786 - 19.3080814281077 split increased to 2 itime 816113 + acceleration/energy drift too large 8.65704282458737 + 35.8732029872120 split increased to 2 itime 819528 itsplit 1 - acceleration/energy drift too large 7.07815234606879 - 13.0414904280456 split increased to 2 itime 816231 + acceleration/energy drift too large 5.78007710800197 + 22.0861024992975 split increased to 2 itime 819529 itsplit 1 - acceleration/energy drift too large 2.98572674928343 - 11.1635088775362 split increased to 2 itime 817443 + acceleration/energy drift too large 4.87823055857814 + 29.8210517689087 split increased to 2 itime 819530 itsplit 1 - acceleration/energy drift too large 2.60950069719954 - 14.5344310367469 split increased to 2 itime 817948 - itsplit 1 - acceleration/energy drift too large 2.42349725705244 - 14.0851445323885 split increased to 2 itime 818227 - itsplit 1 - acceleration/energy drift too large 2.40447030645576 - 16.3534444057961 split increased to 2 itime 818291 + acceleration/energy drift too large 5.74715504704695 + 25.1059119223681 split increased to 2 itime 819900 itsplit 1 Velocities reset to random values, time 163999.80 - acceleration/energy drift too large 5.57678277880079 - 11.5930884940148 split increased to 2 itime 820239 - itsplit 1 - acceleration/energy drift too large 5.61006805655581 - 20.8062583513205 split increased to 2 itime 820972 + acceleration/energy drift too large 7.76147643858833 + 29.4585233985278 split increased to 2 itime 821760 itsplit 1 - acceleration/energy drift too large 5.42005527386467 - 20.2903746069282 split increased to 2 itime 821758 - itsplit 1 - acceleration/energy drift too large 3.45405024697185 - 10.6077908235409 split increased to 2 itime 829497 - itsplit 1 -Velocities reset to random values, time 165999.80 - acceleration/energy drift too large 8.00482423739271 - 26.3192330041714 split increased to 2 itime 830292 + acceleration/energy drift too large 3.83798515116589 + 13.2033374964672 split increased to 2 itime 821770 itsplit 1 - acceleration/energy drift too large 0.000000000000000E+000 - 13.5358175515058 split increased to 2 itime 830293 + acceleration/energy drift too large 2.49919679902956 + 14.0079057484298 split increased to 2 itime 822357 itsplit 1 - acceleration/energy drift too large 12.0501062965000 - 81.4965932294386 split increased to 2 itime 830648 + acceleration/energy drift too large 5.82407528491353 + 25.3257064881128 split increased to 2 itime 824671 itsplit 1 - acceleration/energy drift too large 2.31833787539216 - 10.5441231759565 split increased to 4 itime 830648 + acceleration/energy drift too large 5.32627469315376 + 27.4006405978295 split increased to 2 itime 825001 itsplit 1 - acceleration/energy drift too large 3.31284394493809 - 11.0974395059474 split increased to 2 itime 831492 + acceleration/energy drift too large 2.33214372413994 + 14.2912364737723 split increased to 2 itime 825739 itsplit 1 - acceleration/energy drift too large 3.63920673154793 - 10.0184548310538 split increased to 2 itime 832199 + acceleration/energy drift too large 6.22466386010683 + 17.9960686598819 split increased to 2 itime 826578 itsplit 1 - acceleration/energy drift too large 2.57965518295656 - 14.3993670495984 split increased to 2 itime 833330 + acceleration/energy drift too large 5.40935382198015 + 12.1564640761943 split increased to 2 itime 827613 itsplit 1 - acceleration/energy drift too large 2.07787389788803 - 13.3300445432331 split increased to 2 itime 835341 + acceleration/energy drift too large 6.86826673909432 + 29.2659566477914 split increased to 2 itime 827895 itsplit 1 - acceleration/energy drift too large 9.74331826026958 - 30.6450269273983 split increased to 2 itime 837863 + acceleration/energy drift too large 1.84483561906871 + 10.2687803467267 split increased to 2 itime 827906 itsplit 1 - acceleration/energy drift too large 4.99620808438900 - 12.7355827298097 split increased to 2 itime 838757 + acceleration/energy drift too large 4.41335974905746 + 13.2407898890004 split increased to 2 itime 828514 itsplit 1 - acceleration/energy drift too large 4.51809368883965 - 12.3987328136999 split increased to 2 itime 839247 + acceleration/energy drift too large 3.02034561393073 + 16.6338408090693 split increased to 2 itime 829946 itsplit 1 - acceleration/energy drift too large 5.52602123070095 - 14.0929294820262 split increased to 2 itime 839818 - itsplit 1 -Velocities reset to random values, time 167999.80 - acceleration/energy drift too large 6.13721917571532 - 10.9127412760628 split increased to 2 itime 840724 - itsplit 1 - acceleration/energy drift too large 2.19293850530273 - 13.3015380609607 split increased to 2 itime 841636 - itsplit 1 - acceleration/energy drift too large 3.51122324319924 - 11.5525059454894 split increased to 2 itime 841751 - itsplit 1 - acceleration/energy drift too large 8.99381323759562 - 26.5463884010055 split increased to 2 itime 841853 - itsplit 1 - acceleration/energy drift too large 6.14269464578919 - 17.2473991214217 split increased to 2 itime 842424 +Velocities reset to random values, time 165999.80 + acceleration/energy drift too large 3.08452972545759 + 10.5044340844618 split increased to 2 itime 830652 itsplit 1 - acceleration/energy drift too large 5.34783634740487 - 10.1598674632788 split increased to 2 itime 844168 + acceleration/energy drift too large 4.25104832653793 + 23.6020327369768 split increased to 2 itime 831232 itsplit 1 - acceleration/energy drift too large 12.7826562028498 - 69.5226157271955 split increased to 2 itime 844537 + acceleration/energy drift too large 3.85856743565436 + 17.0170700739114 split increased to 2 itime 831257 itsplit 1 - acceleration/energy drift too large 2.43764402148802 - 10.9300343302225 split increased to 4 itime 844537 - itsplit 2 - acceleration/energy drift too large 5.55946334607925 - 15.3345545672609 split increased to 2 itime 846078 + acceleration/energy drift too large 5.83119008389862 + 17.2210768793317 split increased to 2 itime 831821 itsplit 1 - acceleration/energy drift too large 2.46314605679691 - 10.3122251663836 split increased to 2 itime 846131 + acceleration/energy drift too large 2.72811395369507 + 12.2677516099127 split increased to 2 itime 832689 itsplit 1 - acceleration/energy drift too large 5.64913145729300 - 25.2146316283323 split increased to 2 itime 846287 + acceleration/energy drift too large 6.59370874136313 + 28.4885900900972 split increased to 2 itime 835818 itsplit 1 - acceleration/energy drift too large 1.89346153186027 - 12.2863749401481 split increased to 2 itime 847228 + acceleration/energy drift too large 2.43937127054156 + 15.7146173182305 split increased to 2 itime 836053 itsplit 1 - acceleration/energy drift too large 2.46105455798979 - 11.6410190704922 split increased to 2 itime 847229 + acceleration/energy drift too large 6.92352713455002 + 22.3954301350214 split increased to 2 itime 836152 itsplit 1 - acceleration/energy drift too large 3.13434246794972 - 18.7878722362838 split increased to 2 itime 847920 + acceleration/energy drift too large 10.3377921290485 + 65.7154067717737 split increased to 2 itime 836657 itsplit 1 -Velocities reset to random values, time 169999.80 - acceleration/energy drift too large 1.80665683133751 - 10.5079509668449 split increased to 2 itime 850025 + acceleration/energy drift too large 6.19757696466051 + 20.0374099530676 split increased to 2 itime 836994 itsplit 1 - acceleration/energy drift too large 3.02107980669774 - 10.1033804329793 split increased to 2 itime 850086 + acceleration/energy drift too large 2.92297915921742 + 10.2742942501505 split increased to 2 itime 838306 itsplit 1 - acceleration/energy drift too large 8.75749543216179 - 28.7155022072959 split increased to 2 itime 850329 + acceleration/energy drift too large 2.40425053490664 + 10.9015965976524 split increased to 2 itime 838561 itsplit 1 - acceleration/energy drift too large 2.85367858335283 - 14.4938205479602 split increased to 2 itime 851849 + acceleration/energy drift too large 4.97086160917120 + 12.5812660991000 split increased to 2 itime 839160 itsplit 1 - acceleration/energy drift too large 3.56805453760284 - 22.2771976078644 split increased to 2 itime 851925 +Velocities reset to random values, time 167999.80 + acceleration/energy drift too large 4.42382407486215 + 20.5996592580773 split increased to 2 itime 840102 itsplit 1 - acceleration/energy drift too large 7.28857114627885 - 15.4024829004875 split increased to 2 itime 852313 + acceleration/energy drift too large 4.35570287778676 + 12.7768539335291 split increased to 2 itime 840130 itsplit 1 - acceleration/energy drift too large 2.70678695026793 - 11.4999378146110 split increased to 2 itime 853037 + acceleration/energy drift too large 11.9814639271485 + 70.1879084920940 split increased to 2 itime 841497 itsplit 1 - acceleration/energy drift too large 5.53770782910775 - 16.7776317738034 split increased to 2 itime 853099 + acceleration/energy drift too large 3.68225950799101 + 15.1774100075725 split increased to 2 itime 842027 itsplit 1 - acceleration/energy drift too large 5.87758068250916 - 28.2471211020177 split increased to 2 itime 853219 + acceleration/energy drift too large 5.52356101604260 + 21.6925019980335 split increased to 2 itime 842475 itsplit 1 - acceleration/energy drift too large 2.93007082503758 - 10.7187393085427 split increased to 2 itime 853338 + acceleration/energy drift too large 4.84176523358378 + 20.1892075942597 split increased to 2 itime 843439 itsplit 1 - acceleration/energy drift too large 3.01268820383414 - 11.0407864892503 split increased to 2 itime 853376 + acceleration/energy drift too large 4.34206175859455 + 20.2417658406234 split increased to 2 itime 844110 itsplit 1 - acceleration/energy drift too large 2.80156496969548 - 10.4013249854363 split increased to 2 itime 853394 + acceleration/energy drift too large 5.39278510422845 + 11.7355225791856 split increased to 2 itime 847857 itsplit 1 - acceleration/energy drift too large 1.65122494094768 - 10.2113834343005 split increased to 2 itime 853403 + acceleration/energy drift too large 9.32972240718352 + 42.9981090151215 split increased to 2 itime 848216 itsplit 1 - acceleration/energy drift too large 7.44527484528177 - 13.7841385879957 split increased to 2 itime 853429 + acceleration/energy drift too large 2.45326740453658 + 10.4502112328651 split increased to 2 itime 848663 itsplit 1 - acceleration/energy drift too large 5.65629070818708 - 17.0458799462099 split increased to 2 itime 853439 +Velocities reset to random values, time 169999.80 + acceleration/energy drift too large 4.01177317857258 + 15.4009906152363 split increased to 2 itime 852663 itsplit 1 - acceleration/energy drift too large 3.03459155706405 - 10.2246636921157 split increased to 2 itime 853457 + acceleration/energy drift too large 5.32832053515490 + 12.1204317802878 split increased to 2 itime 852686 itsplit 1 - acceleration/energy drift too large 3.43975999929615 - 10.0735328082754 split increased to 2 itime 853465 + acceleration/energy drift too large 3.98636743684713 + 15.6031059097922 split increased to 2 itime 852761 itsplit 1 - acceleration/energy drift too large 5.95949565467637 - 10.6248777300233 split increased to 2 itime 853884 + acceleration/energy drift too large 6.09133283299758 + 19.8555633563983 split increased to 2 itime 854979 itsplit 1 - acceleration/energy drift too large 3.26235958616251 - 16.2382768100874 split increased to 2 itime 855866 + acceleration/energy drift too large 3.29060199291763 + 13.0109398182878 split increased to 2 itime 856327 itsplit 1 - acceleration/energy drift too large 3.25510265633719 - 10.1902083423158 split increased to 2 itime 859189 + acceleration/energy drift too large 5.42684472176758 + 15.2348467137553 split increased to 2 itime 857245 itsplit 1 - acceleration/energy drift too large 5.65513832043211 - 17.2685971855113 split increased to 2 itime 859699 + acceleration/energy drift too large 6.58400124516784 + 20.3796919761434 split increased to 2 itime 859603 itsplit 1 Velocities reset to random values, time 171999.80 - acceleration/energy drift too large 4.55273828947972 - 12.9405242204499 split increased to 2 itime 860026 + acceleration/energy drift too large 4.80220914999480 + 10.1339151576946 split increased to 2 itime 860051 itsplit 1 - acceleration/energy drift too large 4.03859991980701 - 17.6384616027247 split increased to 2 itime 860805 + acceleration/energy drift too large 5.61406210317378 + 13.1287090195770 split increased to 2 itime 862241 itsplit 1 - acceleration/energy drift too large 5.44533236395329 - 11.9900874412947 split increased to 2 itime 863611 + acceleration/energy drift too large 8.68857308572128 + 35.3468372891964 split increased to 2 itime 862544 itsplit 1 - acceleration/energy drift too large 8.41220129370948 - 27.6507273707973 split increased to 2 itime 866267 + acceleration/energy drift too large 7.72016803392450 + 34.0202217339789 split increased to 2 itime 863102 itsplit 1 - acceleration/energy drift too large 0.901120329823053 - 10.9070219855306 split increased to 2 itime 866934 + acceleration/energy drift too large 4.46722802391829 + 20.6389178636878 split increased to 2 itime 864411 itsplit 1 - acceleration/energy drift too large 4.97754816713980 - 28.8852847503531 split increased to 2 itime 867373 + acceleration/energy drift too large 4.26167219403029 + 17.7515715413730 split increased to 2 itime 865334 itsplit 1 -Velocities reset to random values, time 173999.80 - acceleration/energy drift too large 2.18828827910352 - 18.1507258758246 split increased to 2 itime 870319 + acceleration/energy drift too large 4.22973432515897 + 15.7119262696159 split increased to 2 itime 865360 itsplit 1 - acceleration/energy drift too large 6.46640532644212 - 17.8239652571664 split increased to 2 itime 870430 + acceleration/energy drift too large 3.42514822772696 + 28.5112804028908 split increased to 2 itime 865600 itsplit 1 - acceleration/energy drift too large 5.06817053721608 - 19.8416639824450 split increased to 2 itime 870780 + acceleration/energy drift too large 7.56665436731381 + 13.8427274354859 split increased to 2 itime 866445 itsplit 1 - acceleration/energy drift too large 8.92245620926862 - 44.0746396569052 split increased to 2 itime 871450 + acceleration/energy drift too large 5.75578779139162 + 16.2833218762952 split increased to 2 itime 866518 itsplit 1 - acceleration/energy drift too large 5.95504823482435 - 15.9788176144003 split increased to 2 itime 871749 + acceleration/energy drift too large 14.1661847765509 + 76.8908589401424 split increased to 2 itime 866547 itsplit 1 - acceleration/energy drift too large 4.77300230775419 - 36.2175623199170 split increased to 2 itime 872939 + acceleration/energy drift too large 4.76568051040051 + 17.5682634591496 split increased to 2 itime 866640 itsplit 1 - acceleration/energy drift too large 2.63602987384130 - 10.7759426883458 split increased to 2 itime 873242 + acceleration/energy drift too large 3.61741601860296 + 14.7319553745138 split increased to 2 itime 866664 itsplit 1 - acceleration/energy drift too large 5.65448353432216 - 24.8240118446221 split increased to 2 itime 873345 + acceleration/energy drift too large 4.23149370106149 + 11.2728063972302 split increased to 2 itime 867981 itsplit 1 - acceleration/energy drift too large 5.76813687672142 - 13.0981273794735 split increased to 2 itime 875134 + acceleration/energy drift too large 4.37261015614908 + 16.2752457006339 split increased to 2 itime 868277 itsplit 1 - acceleration/energy drift too large 6.98649268730153 - 27.0308322258294 split increased to 2 itime 875734 + acceleration/energy drift too large 5.39311996656503 + 14.8284667670240 split increased to 2 itime 868886 itsplit 1 - acceleration/energy drift too large 2.65805090178710 - 10.4209346179988 split increased to 2 itime 875735 + acceleration/energy drift too large 6.42637114225298 + 25.3752062598473 split increased to 2 itime 869480 itsplit 1 - acceleration/energy drift too large 7.17093022152299 - 53.0458430838626 split increased to 2 itime 875766 + acceleration/energy drift too large 3.61218759810998 + 10.1041583750837 split increased to 2 itime 869842 itsplit 1 - acceleration/energy drift too large 3.57869325422669 - 11.2243184077936 split increased to 2 itime 875835 +Velocities reset to random values, time 173999.80 + acceleration/energy drift too large 5.26224574508002 + 13.9609489980110 split increased to 2 itime 870684 itsplit 1 - acceleration/energy drift too large 4.25936442577975 - 16.4397413493135 split increased to 2 itime 875841 + acceleration/energy drift too large 4.58902038030952 + 15.1875174577019 split increased to 2 itime 873573 itsplit 1 - acceleration/energy drift too large 5.14059276487108 - 20.3488899269363 split increased to 2 itime 876135 + acceleration/energy drift too large 13.9613658556561 + 89.6770171184682 split increased to 2 itime 876474 itsplit 1 - acceleration/energy drift too large 5.49959218092088 - 10.7763260335624 split increased to 2 itime 877620 + acceleration/energy drift too large 5.19745848633278 + 13.5552548236322 split increased to 2 itime 876664 itsplit 1 - acceleration/energy drift too large 4.11430508825666 - 17.2593216404412 split increased to 2 itime 877960 + acceleration/energy drift too large 7.21262992004234 + 26.1162178372731 split increased to 2 itime 878940 itsplit 1 - acceleration/energy drift too large 1.96618270978794 - 10.7548500267240 split increased to 2 itime 878944 + acceleration/energy drift too large 3.19181255264547 + 26.8749444803355 split increased to 2 itime 879426 itsplit 1 Velocities reset to random values, time 175999.80 - acceleration/energy drift too large 4.50085696255361 - 17.1931603173068 split increased to 2 itime 880039 - itsplit 1 - acceleration/energy drift too large 5.07920195263373 - 20.5566095602744 split increased to 2 itime 880612 - itsplit 1 - acceleration/energy drift too large 2.14885614361353 - 12.1712072961552 split increased to 2 itime 880613 - itsplit 1 - acceleration/energy drift too large 4.09490233827386 - 13.2227447597963 split increased to 2 itime 881297 - itsplit 1 - acceleration/energy drift too large 2.76121466136139 - 12.4162432832061 split increased to 2 itime 888117 - itsplit 1 - acceleration/energy drift too large 5.09152574597872 - 10.2458406228725 split increased to 2 itime 888138 - itsplit 1 - acceleration/energy drift too large 7.02118940801007 - 10.5035774001151 split increased to 2 itime 888140 - itsplit 1 - acceleration/energy drift too large 4.54600941673804 - 13.9277090465177 split increased to 2 itime 888141 - itsplit 1 - acceleration/energy drift too large 4.04621132710032 - 11.0054131226153 split increased to 2 itime 888148 - itsplit 1 - acceleration/energy drift too large 5.71542332415581 - 10.8827154294570 split increased to 2 itime 888152 - itsplit 1 - acceleration/energy drift too large 5.75314403383777 - 10.5890996973347 split increased to 2 itime 888156 + acceleration/energy drift too large 3.06977792748143 + 10.9931982294421 split increased to 2 itime 880666 itsplit 1 - acceleration/energy drift too large 3.75198758194863 - 12.0991477593957 split increased to 2 itime 888164 + acceleration/energy drift too large 2.75694849461784 + 11.7667639269563 split increased to 2 itime 882687 itsplit 1 - acceleration/energy drift too large 4.98201572366295 - 10.3043516043652 split increased to 2 itime 888168 + acceleration/energy drift too large 2.09375992110116 + 12.8053419691018 split increased to 2 itime 882743 itsplit 1 - acceleration/energy drift too large 2.95268066476644 - 11.1474938133876 split increased to 2 itime 888180 + acceleration/energy drift too large 7.06028544458109 + 23.8162294557140 split increased to 2 itime 884464 itsplit 1 - acceleration/energy drift too large 5.12665800830734 - 11.7955945361376 split increased to 2 itime 888181 + acceleration/energy drift too large 4.64639653219010 + 17.7407870408273 split increased to 2 itime 884469 itsplit 1 - acceleration/energy drift too large 3.83618216349276 - 17.8826854046009 split increased to 2 itime 888920 + acceleration/energy drift too large 7.70312672473051 + 16.5990540034600 split increased to 2 itime 885812 itsplit 1 - acceleration/energy drift too large 5.72625734108303 - 16.5623128668462 split increased to 2 itime 889044 + acceleration/energy drift too large 10.5966941671069 + 56.4906800020849 split increased to 2 itime 887024 itsplit 1 - acceleration/energy drift too large 4.35445521093365 - 13.4739248517020 split increased to 2 itime 889335 + acceleration/energy drift too large 4.52503097126906 + 10.1162669551670 split increased to 2 itime 887317 itsplit 1 Velocities reset to random values, time 177999.80 - acceleration/energy drift too large 7.97081285029943 - 20.2934538235427 split increased to 2 itime 890899 + acceleration/energy drift too large 8.69619961973597 + 34.2998760748367 split increased to 2 itime 893460 itsplit 1 - acceleration/energy drift too large 14.1946885697873 - 79.8953940515239 split increased to 2 itime 890977 + acceleration/energy drift too large 4.81374567429138 + 21.4606246013860 split increased to 2 itime 894160 itsplit 1 - acceleration/energy drift too large 6.59195788304317 - 15.1725048027940 split increased to 2 itime 893493 + acceleration/energy drift too large 6.40577581382601 + 18.0537684065880 split increased to 2 itime 895597 itsplit 1 - acceleration/energy drift too large 3.61112281189922 - 23.1225582308175 split increased to 2 itime 894915 + acceleration/energy drift too large 8.92645731056566 + 41.9458186500683 split increased to 2 itime 896355 itsplit 1 - acceleration/energy drift too large 5.15346064609156 - 11.9135346954492 split increased to 2 itime 895700 - itsplit 1 - acceleration/energy drift too large 11.0643854172652 - 46.9783643057636 split increased to 2 itime 896457 - itsplit 1 - acceleration/energy drift too large 7.90367358684655 - 20.7030618150979 split increased to 2 itime 896573 - itsplit 1 - acceleration/energy drift too large 4.47835540551316 - 16.2728575005891 split increased to 2 itime 896672 - itsplit 1 - acceleration/energy drift too large 2.68342279807970 - 10.1776027311715 split increased to 2 itime 896923 - itsplit 1 - acceleration/energy drift too large 5.86776394986179 - 18.0743341443649 split increased to 2 itime 898063 + acceleration/energy drift too large 7.61581689275868 + 20.6076007994704 split increased to 2 itime 898012 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 MIN ii_write= 1 - REMD gather times= 292.386718750000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD gather times= 369.171875000000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.22222 9 -ACC 2 260.00000 0.33333 9 -ACC 3 270.00000 0.11111 9 -ACC 4 280.00000 0.44444 9 -ACC 5 290.00000 0.44444 9 -ACC 6 300.00000 0.77778 9 -ACC 7 310.00000 0.66667 9 +ACC 1 250.00000 0.44444 9 +ACC 2 260.00000 0.11111 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 7 310.00000 0.44444 9 ACC 8 320.00000 0.55556 9 -ACC 9 330.00000 0.66667 9 -ACC 10 340.00000 0.55556 9 -ACC 11 350.00000 0.66667 9 -ACC 12 360.00000 1.00000 9 -ACC 13 370.00000 1.00000 9 -ACC 14 380.00000 0.77778 9 -ACC 15 390.00000 1.00000 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 5.46795202394077 - 12.4053107604193 split increased to 2 itime 900433 - itsplit 1 - acceleration/energy drift too large 5.50109499622398 - 11.4962217826986 split increased to 2 itime 900968 - itsplit 1 - acceleration/energy drift too large 10.0442041840859 - 44.4184851121257 split increased to 2 itime 904487 + acceleration/energy drift too large 8.05481103337943 + 31.1250684426175 split increased to 2 itime 900965 itsplit 1 - acceleration/energy drift too large 7.67413303359464 - 18.9150313032399 split increased to 2 itime 904606 + acceleration/energy drift too large 2.61701571818722 + 11.2523407808492 split increased to 2 itime 901069 itsplit 1 - acceleration/energy drift too large 6.51226175435724 - 11.9513327865067 split increased to 2 itime 904973 + acceleration/energy drift too large 5.02527464245620 + 30.8075250634187 split increased to 2 itime 902459 itsplit 1 - acceleration/energy drift too large 6.66077199516070 - 25.5556665753005 split increased to 2 itime 907507 + acceleration/energy drift too large 3.63754398330254 + 13.0323950177681 split increased to 2 itime 905694 itsplit 1 - acceleration/energy drift too large 5.67642823651232 - 12.4686849709379 split increased to 2 itime 909063 + acceleration/energy drift too large 5.15769862220467 + 20.1188377501454 split increased to 2 itime 909430 itsplit 1 - acceleration/energy drift too large 5.18693284879895 - 14.5965583171698 split increased to 2 itime 909471 - itsplit 1 - acceleration/energy drift too large 5.47728232916030 - 10.8508838339532 split increased to 2 itime 909558 - itsplit 1 - acceleration/energy drift too large 9.85406291183883 - 42.8358522754478 split increased to 2 itime 909676 + acceleration/energy drift too large 7.64897381808747 + 43.5816957290465 split increased to 2 itime 909945 itsplit 1 Velocities reset to random values, time 181999.80 - acceleration/energy drift too large 6.30436371066556 - 30.0892844964180 split increased to 2 itime 910447 - itsplit 1 - acceleration/energy drift too large 5.73693858360652 - 11.7229739097340 split increased to 2 itime 911884 + acceleration/energy drift too large 6.43965794544967 + 19.4895452720833 split increased to 2 itime 915325 itsplit 1 - acceleration/energy drift too large 5.16232019272427 - 16.5271023396916 split increased to 2 itime 912425 + acceleration/energy drift too large 3.57245023717684 + 12.2804834660481 split increased to 2 itime 917812 itsplit 1 - acceleration/energy drift too large 7.35318443512268 - 24.4559052197462 split increased to 2 itime 913148 + acceleration/energy drift too large 2.76618512052184 + 16.0797115374640 split increased to 2 itime 918571 itsplit 1 - acceleration/energy drift too large 4.85116064547893 - 22.9025039623007 split increased to 2 itime 914518 + acceleration/energy drift too large 3.93706142966390 + 13.8735354497499 split increased to 2 itime 918967 itsplit 1 - acceleration/energy drift too large 4.70781399946207 - 11.3487926243905 split increased to 2 itime 915527 - itsplit 1 - acceleration/energy drift too large 6.63713898189145 - 18.7681723616435 split increased to 2 itime 919191 + acceleration/energy drift too large 5.55311303360152 + 10.7282234186528 split increased to 2 itime 919348 itsplit 1 Velocities reset to random values, time 183999.80 - acceleration/energy drift too large 3.10581594273183 - 10.8007075949841 split increased to 2 itime 920254 + acceleration/energy drift too large 2.69169427088324 + 11.0914612938132 split increased to 2 itime 920811 itsplit 1 - acceleration/energy drift too large 12.8789227743900 - 72.0207941837624 split increased to 2 itime 920479 + acceleration/energy drift too large 6.22566156787866 + 15.1582361098060 split increased to 2 itime 921276 itsplit 1 - acceleration/energy drift too large 5.56570722995958 - 12.0881812892180 split increased to 2 itime 920581 + acceleration/energy drift too large 2.98890256972757 + 11.1881202362247 split increased to 2 itime 921277 itsplit 1 - acceleration/energy drift too large 4.67246787522468 - 11.7478761321492 split increased to 2 itime 921108 + acceleration/energy drift too large 5.27814141151621 + 10.6341631584489 split increased to 2 itime 925823 itsplit 1 - acceleration/energy drift too large 5.51087434466140 - 35.7468755102351 split increased to 2 itime 921134 + acceleration/energy drift too large 5.81284524109278 + 24.5891252197165 split increased to 2 itime 927653 itsplit 1 - acceleration/energy drift too large 4.24961766761127 - 11.6203021960735 split increased to 2 itime 921167 + acceleration/energy drift too large 5.48119060386932 + 10.8480485065602 split increased to 2 itime 927898 itsplit 1 - acceleration/energy drift too large 4.65288297463304 - 14.8450931629441 split increased to 2 itime 922733 + acceleration/energy drift too large 8.51979883796464 + 42.4999980680505 split increased to 2 itime 928346 itsplit 1 - acceleration/energy drift too large 5.51132950579083 - 10.7816062217321 split increased to 2 itime 924729 +Velocities reset to random values, time 185999.80 + acceleration/energy drift too large 4.80529118356420 + 25.2031100504070 split increased to 2 itime 930834 itsplit 1 - acceleration/energy drift too large 4.45155983053948 - 29.7470128534273 split increased to 2 itime 925076 + acceleration/energy drift too large 5.02860584553965 + 12.7568458295912 split increased to 2 itime 931692 itsplit 1 - acceleration/energy drift too large 9.75664801627854 - 41.3883303482626 split increased to 2 itime 925972 + acceleration/energy drift too large 4.89229708246707 + 12.5377126475266 split increased to 2 itime 932447 itsplit 1 - acceleration/energy drift too large 4.33451815599813 - 12.5405886707434 split increased to 2 itime 926710 + acceleration/energy drift too large 4.55470478641012 + 12.4519867462869 split increased to 2 itime 934346 itsplit 1 - acceleration/energy drift too large 5.32582042388224 - 13.5872876149547 split increased to 2 itime 927327 + acceleration/energy drift too large 4.69468097998586 + 11.9087258610449 split increased to 2 itime 934689 itsplit 1 - acceleration/energy drift too large 6.39968685125883 - 14.5480442498535 split increased to 2 itime 927870 + acceleration/energy drift too large 3.18264593449796 + 11.0633353061993 split increased to 2 itime 934793 itsplit 1 - acceleration/energy drift too large 1.74141356534464 - 10.8669114056156 split increased to 2 itime 927886 + acceleration/energy drift too large 4.53434968843685 + 24.6277881599707 split increased to 2 itime 935343 itsplit 1 - acceleration/energy drift too large 4.94208842148299 - 18.0076923279581 split increased to 2 itime 929406 + acceleration/energy drift too large 4.90733753505980 + 10.5255027704337 split increased to 2 itime 935641 itsplit 1 - acceleration/energy drift too large 6.05714344097599 - 14.6650248944933 split increased to 2 itime 929785 + acceleration/energy drift too large 2.75682345103759 + 19.4700407057487 split increased to 2 itime 936307 itsplit 1 -Velocities reset to random values, time 185999.80 - acceleration/energy drift too large 5.56584724752194 - 10.8215121700184 split increased to 2 itime 930415 + acceleration/energy drift too large 4.60486379485938 + 10.2498467363683 split increased to 2 itime 936429 itsplit 1 - acceleration/energy drift too large 5.48624404901165 - 12.3240871251260 split increased to 2 itime 933700 + acceleration/energy drift too large 5.79733375322079 + 24.1610180437751 split increased to 2 itime 937093 itsplit 1 - acceleration/energy drift too large 5.06849934390924 - 11.3344859192855 split increased to 2 itime 935484 + acceleration/energy drift too large 5.51725381536469 + 32.0439873409124 split increased to 2 itime 937975 itsplit 1 - acceleration/energy drift too large 2.93636987546305 - 17.3638401539236 split increased to 2 itime 935833 - itsplit 1 - acceleration/energy drift too large 5.01506072770740 - 12.1987550948904 split increased to 2 itime 939464 + acceleration/energy drift too large 6.51073858825441 + 28.7804807643715 split increased to 2 itime 939602 itsplit 1 Velocities reset to random values, time 187999.80 - acceleration/energy drift too large 7.74618902670613 - 28.9633187201744 split increased to 2 itime 941504 - itsplit 1 - acceleration/energy drift too large 5.59782282452616 - 22.1916551891740 split increased to 2 itime 945233 + acceleration/energy drift too large 4.69124760082540 + 18.9492456626369 split increased to 2 itime 940209 itsplit 1 - acceleration/energy drift too large 4.50578472031163 - 11.9501961544706 split increased to 2 itime 946321 + acceleration/energy drift too large 6.74917361811743 + 26.4067228155295 split increased to 2 itime 940552 itsplit 1 - acceleration/energy drift too large 10.7277829490960 - 36.9073502823179 split increased to 2 itime 946994 + acceleration/energy drift too large 2.30403830889995 + 11.0353766604116 split increased to 2 itime 940553 itsplit 1 - acceleration/energy drift too large 6.92399126214235 - 19.6217862894734 split increased to 2 itime 947130 + acceleration/energy drift too large 7.58938092984247 + 22.9615923802984 split increased to 2 itime 942358 itsplit 1 - acceleration/energy drift too large 4.44413427051592 - 11.1965624469534 split increased to 2 itime 947379 + acceleration/energy drift too large 2.76641659989110 + 14.3964130983322 split increased to 2 itime 942788 itsplit 1 Velocities reset to random values, time 189999.80 - acceleration/energy drift too large 7.95170900010183 - 16.0403857853207 split increased to 2 itime 956953 - itsplit 1 -Velocities reset to random values, time 191999.80 - acceleration/energy drift too large 3.88227067437058 - 12.3818961742087 split increased to 2 itime 962441 - itsplit 1 - acceleration/energy drift too large 1.91940650863044 - 10.9909115308605 split increased to 2 itime 962586 + acceleration/energy drift too large 6.58530653390531 + 22.4859420632773 split increased to 2 itime 953719 itsplit 1 - acceleration/energy drift too large 5.07543071705197 - 17.9752152130500 split increased to 2 itime 963761 + acceleration/energy drift too large 2.20946495883106 + 11.2370277953960 split increased to 2 itime 953862 itsplit 1 - acceleration/energy drift too large 7.32558398952722 - 24.1541787607772 split increased to 2 itime 965923 + acceleration/energy drift too large 5.02444840583848 + 16.0241584872741 split increased to 2 itime 955055 itsplit 1 - acceleration/energy drift too large 6.29291139990231 - 14.9733999594814 split increased to 2 itime 967005 - itsplit 1 - acceleration/energy drift too large 5.42351278756249 - 11.8073304271930 split increased to 2 itime 968426 - itsplit 1 -Velocities reset to random values, time 193999.80 - acceleration/energy drift too large 5.26392357973576 - 14.3438652882825 split increased to 2 itime 970276 - itsplit 1 - acceleration/energy drift too large 7.10056378156876 - 21.0815361545108 split increased to 2 itime 971091 - itsplit 1 - acceleration/energy drift too large 7.00204377159050 - 33.9545951206751 split increased to 2 itime 971273 +Velocities reset to random values, time 191999.80 + acceleration/energy drift too large 2.10299074366612 + 19.5004738340991 split increased to 2 itime 960574 itsplit 1 - acceleration/energy drift too large 5.09513342266119 - 11.7213418980924 split increased to 2 itime 971299 + acceleration/energy drift too large 5.41995275991857 + 17.5218697503181 split increased to 2 itime 961110 itsplit 1 - acceleration/energy drift too large 4.30359656078966 - 14.0888901984776 split increased to 2 itime 971356 + acceleration/energy drift too large 11.9102885387065 + 71.0034174953536 split increased to 2 itime 965692 itsplit 1 - acceleration/energy drift too large 2.58733577733941 - 10.1340104061563 split increased to 2 itime 972543 + acceleration/energy drift too large 11.1274389276124 + 65.4047394032986 split increased to 2 itime 966331 itsplit 1 - acceleration/energy drift too large 7.04853762090654 - 21.7997432260659 split increased to 2 itime 973980 + acceleration/energy drift too large 4.24867145405369 + 12.0764923969973 split increased to 2 itime 966904 itsplit 1 - acceleration/energy drift too large 2.54390496908168 - 15.2648117306652 split increased to 2 itime 974948 + acceleration/energy drift too large 3.82817695875608 + 10.1489345125422 split increased to 2 itime 966955 itsplit 1 - acceleration/energy drift too large 5.22808569483512 - 20.0312195239320 split increased to 2 itime 975412 + acceleration/energy drift too large 7.47896016748512 + 27.6262383698179 split increased to 2 itime 968640 itsplit 1 - acceleration/energy drift too large 12.8049007615437 - 76.6612572857203 split increased to 2 itime 975689 +Velocities reset to random values, time 193999.80 + acceleration/energy drift too large 3.94393782285029 + 10.5862614622132 split increased to 2 itime 972125 itsplit 1 - acceleration/energy drift too large 9.75237524437588 - 40.9913114743635 split increased to 2 itime 977521 + acceleration/energy drift too large 5.76091206616941 + 11.5268674559521 split increased to 2 itime 975965 itsplit 1 - acceleration/energy drift too large 5.55151145797565 - 10.5312927001477 split increased to 2 itime 978203 + acceleration/energy drift too large 5.71679793282402 + 14.0795604230499 split increased to 2 itime 977564 itsplit 1 - acceleration/energy drift too large 2.93913685715332 - 17.6046835348518 split increased to 2 itime 979937 + acceleration/energy drift too large 3.62396320322734 + 28.6225936301255 split increased to 2 itime 979056 itsplit 1 Velocities reset to random values, time 195999.80 - acceleration/energy drift too large 7.54353338169035 - 22.8244577386226 split increased to 2 itime 981896 + acceleration/energy drift too large 4.18453503321953 + 11.0635650122307 split increased to 2 itime 980017 itsplit 1 - acceleration/energy drift too large 4.13452104677707 - 10.1160485726259 split increased to 2 itime 986603 + acceleration/energy drift too large 7.73835889693810 + 24.2414778992307 split increased to 2 itime 980985 itsplit 1 - acceleration/energy drift too large 6.03543947294234 - 23.2989464543245 split increased to 2 itime 986669 + acceleration/energy drift too large 12.3730317994160 + 71.8787411639125 split increased to 2 itime 981576 itsplit 1 - acceleration/energy drift too large 7.92798677691667 - 30.0388009219789 split increased to 2 itime 988554 + acceleration/energy drift too large 1.75743579269170 + 12.6933438961326 split increased to 2 itime 983419 itsplit 1 - acceleration/energy drift too large 5.31692501678335 - 13.8512760187820 split increased to 2 itime 989957 + acceleration/energy drift too large 6.32615527831737 + 17.2147332675926 split increased to 2 itime 985069 itsplit 1 Velocities reset to random values, time 197999.80 - acceleration/energy drift too large 7.15836158292127 - 25.7357034270101 split increased to 2 itime 991444 - itsplit 1 - acceleration/energy drift too large 5.74650167122276 - 10.9649190029274 split increased to 2 itime 992540 - itsplit 1 - acceleration/energy drift too large 8.74458295681060 - 33.2793340322996 split increased to 2 itime 993962 - itsplit 1 - acceleration/energy drift too large 12.8512992637313 - 65.7288487992138 split increased to 2 itime 994516 - itsplit 1 - acceleration/energy drift too large 4.81937959442598 - 12.5280390905933 split increased to 2 itime 994887 + acceleration/energy drift too large 6.26052207476379 + 18.1020521060995 split increased to 2 itime 991330 itsplit 1 - acceleration/energy drift too large 6.33559315789479 - 28.5393789350739 split increased to 2 itime 995588 + acceleration/energy drift too large 4.67394120722699 + 10.8622066679894 split increased to 2 itime 994289 itsplit 1 - acceleration/energy drift too large 4.72205985443675 - 12.6198064878400 split increased to 2 itime 996874 + acceleration/energy drift too large 5.22911240035505 + 12.3138345895850 split increased to 2 itime 995212 itsplit 1 - acceleration/energy drift too large 7.47385327641237 - 22.6954561670628 split increased to 2 itime 998506 + acceleration/energy drift too large 6.33230397412798 + 16.8702364297813 split increased to 2 itime 996909 itsplit 1 - acceleration/energy drift too large 3.91779725444293 - 23.2915438916753 split increased to 2 itime 998545 + acceleration/energy drift too large 4.53146621264599 + 18.1733607039933 split increased to 2 itime 998421 itsplit 1 Velocities reset to random values, time 199999.80 REMD synchro at 1000000 @@ -3641,13 +3317,13 @@ Velocities reset to random values, time 199999.80 =================================== Timing =================================== - MD calculations setup: 3.90625E-03 - Energy & gradient evaluation: 3.08043E+02 + MD calculations setup: 1.17188E-02 + Energy & gradient evaluation: 3.75598E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 3.25070E+02 + MD steps: 4.09824E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 325.085937500000 sec + Total wall clock time 409.886718750000 sec