X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_REMD.out_GB000;h=64da38bb3fe0ba8f36538ee0c855819dffedf4b1;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=c4f2771a1b378a6536e7eba2e594be6c296f9a64;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.out_GB000 b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.out_GB000 index c4f2771..64da38b 100644 --- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.out_GB000 +++ b/examples/unres/new/REMD/with_constrains/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 @@ -509,7 +515,7 @@ ndowna 16: 15 22 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Calling the zero-angular momentum subroutine vcm right after adjustment: - 2.715579995864751E-017 -7.248352620541251E-018 6.125368411725001E-019 + 2.021371575869251E-017 -1.735521049988750E-018 1.041312629993250E-017 alpha-carbon coordinates centroid coordinates @@ -596,3173 +602,2936 @@ Initial: maximum acceleration 8.66515E+00 Setup time 1.562500000000000E-002 - acceleration/energy drift too large 2.45063594146020 - 30.2648668362770 split increased to 2 itime 1 + acceleration/energy drift too large 2.45063868111105 + 30.2648668372355 split increased to 2 itime 1 itsplit 1 - acceleration/energy drift too large 3.55123039307981 - 23.1893576707994 split increased to 2 itime 2 + acceleration/energy drift too large 3.55123086946814 + 23.1893572991053 split increased to 2 itime 2 itsplit 1 - acceleration/energy drift too large 2.68872839165869 - 16.4661193949381 split increased to 2 itime 4 + acceleration/energy drift too large 2.68873026783936 + 16.4661189396637 split increased to 2 itime 4 itsplit 1 - acceleration/energy drift too large 4.36235958005115 - 20.2655532943208 split increased to 2 itime 5 + acceleration/energy drift too large 4.36238477567221 + 20.2653490183299 split increased to 2 itime 5 itsplit 1 - acceleration/energy drift too large 4.44785581685517 - 12.4814465819731 split increased to 2 itime 6 + acceleration/energy drift too large 4.44786409431292 + 12.4814953131462 split increased to 2 itime 6 itsplit 1 - acceleration/energy drift too large 1.45930770657716 - 11.9792814219840 split increased to 2 itime 7 + acceleration/energy drift too large 1.45929231910999 + 11.9792186726349 split increased to 2 itime 7 itsplit 1 - acceleration/energy drift too large 4.78645908039624 - 35.1580337534984 split increased to 2 itime 35 + acceleration/energy drift too large 4.78653363667580 + 35.1543337895096 split increased to 2 itime 35 itsplit 1 - acceleration/energy drift too large 3.48903501812187 - 12.3849779725604 split increased to 2 itime 124 + acceleration/energy drift too large 3.50012196420486 + 12.4741865317294 split increased to 2 itime 124 itsplit 1 - acceleration/energy drift too large 6.17439974864359 - 17.2441700127245 split increased to 2 itime 566 + acceleration/energy drift too large 9.06108385774411 + 25.6307973455144 split increased to 2 itime 2598 itsplit 1 - acceleration/energy drift too large 4.26322798414598 - 29.4227626386828 split increased to 2 itime 2792 + acceleration/energy drift too large 6.60515630890159 + 14.9369548564452 split increased to 2 itime 4487 itsplit 1 - acceleration/energy drift too large 8.05709928894691 - 24.8731000061786 split increased to 2 itime 4623 + acceleration/energy drift too large 5.38055900978436 + 10.4195089905054 split increased to 2 itime 5834 itsplit 1 - acceleration/energy drift too large 5.70588580661174 - 14.2962212933154 split increased to 2 itime 5558 + acceleration/energy drift too large 9.43465470992012 + 33.6963124964030 split increased to 2 itime 5884 itsplit 1 - acceleration/energy drift too large 4.09195367467264 - 11.2257975319880 split increased to 2 itime 5869 + acceleration/energy drift too large 2.07073606807758 + 11.7590736205423 split increased to 2 itime 5885 itsplit 1 - acceleration/energy drift too large 5.25461982317649 - 13.0196823581335 split increased to 2 itime 5895 + acceleration/energy drift too large 5.28720460296316 + 12.2922645582407 split increased to 2 itime 5982 itsplit 1 - acceleration/energy drift too large 10.0539154656168 - 44.2028744952343 split increased to 2 itime 6522 + acceleration/energy drift too large 8.48328247712591 + 25.3495458139208 split increased to 2 itime 7356 itsplit 1 - acceleration/energy drift too large 2.31767808837236 - 14.4399822900730 split increased to 2 itime 6716 + acceleration/energy drift too large 1.95483193831186 + 14.0322567882780 split increased to 2 itime 8168 itsplit 1 - acceleration/energy drift too large 8.87425380930365 - 29.0039656132960 split increased to 2 itime 7248 + acceleration/energy drift too large 8.63157648015814 + 33.0046843882556 split increased to 2 itime 8458 itsplit 1 - acceleration/energy drift too large 4.73126490449482 - 12.3493778645183 split increased to 2 itime 8844 - itsplit 1 - acceleration/energy drift too large 1.99102672286680 - 10.5675100729127 split increased to 2 itime 9424 + acceleration/energy drift too large 2.90119145151716 + 16.7487001590735 split increased to 2 itime 9138 itsplit 1 Velocities reset to random values, time 1999.80 - acceleration/energy drift too large 4.58362335402096 - 14.0172775562281 split increased to 2 itime 12666 - itsplit 1 - acceleration/energy drift too large 5.22844254784862 - 15.3461489441536 split increased to 2 itime 12818 - itsplit 1 - acceleration/energy drift too large 1.82262990636730 - 12.3151750113268 split increased to 2 itime 12993 - itsplit 1 - acceleration/energy drift too large 2.50057193656713 - 10.1777126441363 split increased to 2 itime 13817 + acceleration/energy drift too large 6.58197301052028 + 21.1744779154869 split increased to 2 itime 12352 itsplit 1 - acceleration/energy drift too large 5.26271775921505 - 13.0205125069509 split increased to 2 itime 14385 + acceleration/energy drift too large 4.29237499274694 + 12.0987383192629 split increased to 2 itime 12654 itsplit 1 - acceleration/energy drift too large 2.22331299564014 - 10.6731577631261 split increased to 2 itime 14925 + acceleration/energy drift too large 4.54118346403319 + 10.0596872771203 split increased to 2 itime 14754 itsplit 1 - acceleration/energy drift too large 5.38613189433752 - 11.4953098178897 split increased to 2 itime 16357 + acceleration/energy drift too large 2.76981396010583 + 19.1030491890046 split increased to 2 itime 16759 itsplit 1 - acceleration/energy drift too large 2.85334180367225 - 10.4054852060492 split increased to 2 itime 16664 + acceleration/energy drift too large 9.26054798480306 + 35.8965348642423 split increased to 2 itime 17217 itsplit 1 - acceleration/energy drift too large 4.77226631587378 - 10.0166003786958 split increased to 2 itime 17641 - itsplit 1 - acceleration/energy drift too large 7.18486875744236 - 24.0874762624312 split increased to 2 itime 19211 + acceleration/energy drift too large 6.78140644853100 + 20.5180580916291 split increased to 2 itime 19191 itsplit 1 Velocities reset to random values, time 3999.80 - acceleration/energy drift too large 2.76118247700938 - 11.5869162485393 split increased to 2 itime 20936 - itsplit 1 - acceleration/energy drift too large 6.23363865746886 - 18.6015383955209 split increased to 2 itime 21590 - itsplit 1 - acceleration/energy drift too large 1.41251545123335 - 10.5129764012653 split increased to 2 itime 21591 + acceleration/energy drift too large 6.51928331143534 + 13.1196487697521 split increased to 2 itime 20127 itsplit 1 - acceleration/energy drift too large 2.75471085348598 - 14.9248626838873 split increased to 2 itime 22737 + acceleration/energy drift too large 4.14666449802368 + 11.4147726951848 split increased to 2 itime 23140 itsplit 1 - acceleration/energy drift too large 5.91463319796109 - 18.4245915940256 split increased to 2 itime 24745 + acceleration/energy drift too large 6.34224382667582 + 15.8066625395075 split increased to 2 itime 25255 itsplit 1 - acceleration/energy drift too large 3.27156728461440 - 21.3850594902965 split increased to 2 itime 26791 - itsplit 1 - acceleration/energy drift too large 3.54152246315015 - 14.4878282886792 split increased to 2 itime 28182 - itsplit 1 - acceleration/energy drift too large 2.26961084867284 - 12.9103232245608 split increased to 2 itime 29427 + acceleration/energy drift too large 5.55686756155190 + 11.0570660474378 split increased to 2 itime 28027 itsplit 1 Velocities reset to random values, time 5999.80 - acceleration/energy drift too large 7.71649850266347 - 17.8073559837711 split increased to 2 itime 30049 - itsplit 1 - acceleration/energy drift too large 3.97968189913828 - 13.7012383207568 split increased to 2 itime 30830 + acceleration/energy drift too large 4.55831049917581 + 13.7891175233971 split increased to 2 itime 30473 itsplit 1 - acceleration/energy drift too large 3.73343848359344 - 13.7916438116659 split increased to 2 itime 32655 - itsplit 1 - acceleration/energy drift too large 2.26663491113286 - 13.0533158939566 split increased to 2 itime 32960 - itsplit 1 -Velocities reset to random values, time 7999.80 - acceleration/energy drift too large 10.2272478508141 - 51.0620376502164 split increased to 2 itime 41735 + acceleration/energy drift too large 3.26682406678188 + 25.8880588807659 split increased to 2 itime 31420 itsplit 1 - acceleration/energy drift too large 7.34189482327403 - 24.6550896869989 split increased to 2 itime 42499 + acceleration/energy drift too large 5.10782334488223 + 18.1980839007848 split increased to 2 itime 34647 itsplit 1 - acceleration/energy drift too large 3.38542570180131 - 12.2221674067300 split increased to 2 itime 42901 + acceleration/energy drift too large 9.45122150525096 + 43.2908359649247 split increased to 2 itime 34698 itsplit 1 - acceleration/energy drift too large 11.2079035931813 - 57.1586678138241 split increased to 2 itime 43490 + acceleration/energy drift too large 3.18166793613259 + 10.4178018095776 split increased to 2 itime 36028 itsplit 1 - acceleration/energy drift too large 4.04304653455460 - 18.5459809986434 split increased to 2 itime 44544 - itsplit 1 - acceleration/energy drift too large 7.72035312686289 - 24.9868158039625 split increased to 2 itime 45177 - itsplit 1 - acceleration/energy drift too large 4.34899542723403 - 16.9449291424079 split increased to 2 itime 45182 +Velocities reset to random values, time 7999.80 + acceleration/energy drift too large 2.85884065291560 + 10.8818130470378 split increased to 2 itime 45605 itsplit 1 - acceleration/energy drift too large 3.80242877493467 - 19.9908322838560 split increased to 2 itime 47229 + acceleration/energy drift too large 1.86835468064674 + 10.8073106206949 split increased to 2 itime 45937 itsplit 1 - acceleration/energy drift too large 2.43522748754176 - 11.1407679330580 split increased to 2 itime 48056 + acceleration/energy drift too large 3.98610152003410 + 12.9623685573306 split increased to 2 itime 46042 itsplit 1 - acceleration/energy drift too large 7.40190970834492 - 16.3449319244533 split increased to 2 itime 48603 + acceleration/energy drift too large 1.98201378363214 + 10.2041786376280 split increased to 2 itime 46077 itsplit 1 - acceleration/energy drift too large 4.20518494209941 - 10.2290085582975 split increased to 2 itime 48993 + acceleration/energy drift too large 12.0305769701626 + 51.0795556873231 split increased to 2 itime 46301 itsplit 1 - acceleration/energy drift too large 6.41487026475852 - 16.8313808272919 split increased to 2 itime 49631 + acceleration/energy drift too large 4.52443741463104 + 11.0156407799634 split increased to 2 itime 48016 itsplit 1 Velocities reset to random values, time 9999.80 - acceleration/energy drift too large 1.58487717696334 - 10.7212736542107 split increased to 2 itime 51070 + acceleration/energy drift too large 8.46591652181341 + 41.2980950567876 split increased to 2 itime 50383 itsplit 1 - acceleration/energy drift too large 2.48729851179074 - 12.7986416660483 split increased to 2 itime 51846 + acceleration/energy drift too large 5.16603909443402 + 18.1107035658906 split increased to 2 itime 53458 itsplit 1 - acceleration/energy drift too large 11.4576638990693 - 63.3816971413829 split increased to 2 itime 52253 + acceleration/energy drift too large 4.16513916994781 + 10.9950579237936 split increased to 2 itime 54993 itsplit 1 - acceleration/energy drift too large 2.42810091172543 - 16.9629860623230 split increased to 2 itime 52254 + acceleration/energy drift too large 1.17191836603789 + 11.3841292078986 split increased to 2 itime 54994 itsplit 1 - acceleration/energy drift too large 5.55826454459671 - 15.5767611330026 split increased to 2 itime 52353 + acceleration/energy drift too large 6.53208644347302 + 10.0831139576686 split increased to 2 itime 57275 itsplit 1 - acceleration/energy drift too large 6.31128087204321 - 13.9365191425724 split increased to 2 itime 54159 + acceleration/energy drift too large 6.38908095141739 + 14.5965965531466 split increased to 2 itime 57276 itsplit 1 - acceleration/energy drift too large 5.16175960923982 - 27.1744730449919 split increased to 2 itime 54222 + acceleration/energy drift too large 2.02710834549718 + 10.6960901510766 split increased to 2 itime 59385 itsplit 1 - acceleration/energy drift too large 7.64675950776908 - 20.3493935665896 split increased to 2 itime 54849 + acceleration/energy drift too large 4.01051594321700 + 12.7233567378278 split increased to 2 itime 59632 itsplit 1 - acceleration/energy drift too large 6.17693197497629 - 13.5946241445626 split increased to 2 itime 57277 + acceleration/energy drift too large 6.41506995709036 + 14.3079348463333 split increased to 2 itime 59910 itsplit 1 Velocities reset to random values, time 11999.80 - acceleration/energy drift too large 6.04161411128913 - 13.8963834164425 split increased to 2 itime 61429 + acceleration/energy drift too large 3.16467940373217 + 23.7016400391990 split increased to 2 itime 61862 itsplit 1 - acceleration/energy drift too large 3.84291328760816 - 10.1754696640553 split increased to 2 itime 62155 + acceleration/energy drift too large 3.72648774559847 + 12.1806580792817 split increased to 2 itime 63094 itsplit 1 - acceleration/energy drift too large 2.28474853752050 - 15.8493127212477 split increased to 2 itime 63027 + acceleration/energy drift too large 4.91806822648186 + 30.9786200495719 split increased to 2 itime 64693 itsplit 1 - acceleration/energy drift too large 3.33918937578584 - 14.0889711393740 split increased to 2 itime 64278 + acceleration/energy drift too large 4.29281446835094 + 12.1444339107584 split increased to 2 itime 66730 itsplit 1 - acceleration/energy drift too large 3.96423821746533 - 10.2441286637972 split increased to 2 itime 66380 + acceleration/energy drift too large 4.61989520889989 + 12.9095583930367 split increased to 2 itime 67488 itsplit 1 - acceleration/energy drift too large 3.25106563760068 - 24.6867846977113 split increased to 2 itime 66975 + acceleration/energy drift too large 5.43649744666214 + 13.9249448835651 split increased to 2 itime 67934 itsplit 1 - acceleration/energy drift too large 2.75352893033326 - 19.7936487683326 split increased to 2 itime 67029 + acceleration/energy drift too large 4.27727867757810 + 12.9808256592005 split increased to 2 itime 68568 itsplit 1 - acceleration/energy drift too large 7.13253544220628 - 19.2799243747448 split increased to 2 itime 67064 + acceleration/energy drift too large 5.11438833240189 + 19.8322614855305 split increased to 2 itime 68609 itsplit 1 - acceleration/energy drift too large 5.79226181484969 - 14.2994558751836 split increased to 2 itime 67427 + acceleration/energy drift too large 4.17490161604549 + 13.8606837764868 split increased to 2 itime 69264 itsplit 1 - acceleration/energy drift too large 3.60876406822577 - 10.2388337571817 split increased to 2 itime 68776 - itsplit 1 - acceleration/energy drift too large 2.40274046345887 - 11.0813103107384 split increased to 2 itime 68871 - itsplit 1 - acceleration/energy drift too large 6.26790985102664 - 16.8582712348360 split increased to 2 itime 69778 + acceleration/energy drift too large 3.83724460451895 + 15.4115668727246 split increased to 2 itime 69940 itsplit 1 Velocities reset to random values, time 13999.80 - acceleration/energy drift too large 4.91733834731869 - 21.6634942912416 split increased to 2 itime 70962 - itsplit 1 - acceleration/energy drift too large 5.79001914171994 - 10.8993211382899 split increased to 2 itime 73344 + acceleration/energy drift too large 4.01685434054205 + 10.8069464783478 split increased to 2 itime 71105 itsplit 1 - acceleration/energy drift too large 3.68254836021802 - 16.4563958311972 split increased to 2 itime 73665 + acceleration/energy drift too large 13.0626679391747 + 87.9388227824471 split increased to 2 itime 71910 itsplit 1 - acceleration/energy drift too large 3.45532546646789 - 23.3613715497360 split increased to 2 itime 74990 + acceleration/energy drift too large 7.20000328983353 + 18.1178033475454 split increased to 2 itime 71988 itsplit 1 - acceleration/energy drift too large 6.13635919619488 - 18.5401285476581 split increased to 2 itime 76859 + acceleration/energy drift too large 6.04958400342580 + 14.9219321071401 split increased to 2 itime 72341 itsplit 1 - acceleration/energy drift too large 6.87151130627845 - 18.8548394757896 split increased to 2 itime 77050 + acceleration/energy drift too large 4.45889454571717 + 15.5432456970247 split increased to 2 itime 74578 itsplit 1 - acceleration/energy drift too large 4.28154290814799 - 17.1109357840038 split increased to 2 itime 77575 + acceleration/energy drift too large 5.94353008726795 + 19.5767458089862 split increased to 2 itime 75898 itsplit 1 - acceleration/energy drift too large 3.40781318246054 - 11.0908932964902 split increased to 2 itime 77672 + acceleration/energy drift too large 1.41468466336670 + 11.8115584305727 split increased to 2 itime 75899 itsplit 1 - acceleration/energy drift too large 10.3873117083375 - 40.8587371553500 split increased to 2 itime 77789 + acceleration/energy drift too large 5.43126051257083 + 11.4467820493096 split increased to 2 itime 76681 itsplit 1 - acceleration/energy drift too large 2.14464471672795 - 11.8587422689643 split increased to 2 itime 77790 - itsplit 1 - acceleration/energy drift too large 6.25230039647147 - 14.5801930837169 split increased to 2 itime 77862 - itsplit 1 - acceleration/energy drift too large 4.24968861698396 - 13.6567719184114 split increased to 2 itime 78200 + acceleration/energy drift too large 1.30412019682234 + 10.3877710905946 split increased to 2 itime 77800 itsplit 1 Velocities reset to random values, time 15999.80 - acceleration/energy drift too large 13.1141659483221 - 69.1395602424480 split increased to 2 itime 80817 - itsplit 1 - acceleration/energy drift too large 3.91223379863365 - 12.7362860381112 split increased to 2 itime 80865 + acceleration/energy drift too large 5.92067317044391 + 12.1554434047725 split increased to 2 itime 83484 itsplit 1 - acceleration/energy drift too large 5.51093838390477 - 12.2530883525161 split increased to 2 itime 80925 + acceleration/energy drift too large 5.21686771258510 + 15.1491984626158 split increased to 2 itime 85810 itsplit 1 - acceleration/energy drift too large 4.57031026709038 - 13.7067506810398 split increased to 2 itime 81687 + acceleration/energy drift too large 7.31880749879907 + 18.6681818294367 split increased to 2 itime 86296 itsplit 1 - acceleration/energy drift too large 8.65456935304419 - 36.0666379557614 split increased to 2 itime 82775 + acceleration/energy drift too large 4.18607940482989 + 36.7218017523689 split increased to 2 itime 86458 itsplit 1 - acceleration/energy drift too large 3.43631935716064 - 17.4089364271753 split increased to 2 itime 82951 + acceleration/energy drift too large 8.90713651382507 + 18.3163329571860 split increased to 2 itime 87179 itsplit 1 - acceleration/energy drift too large 1.79521171017922 - 12.3527142800928 split increased to 2 itime 83073 + acceleration/energy drift too large 2.14154289965140 + 10.3495300742453 split increased to 2 itime 87883 itsplit 1 - acceleration/energy drift too large 9.93257088611876 - 52.7089595995980 split increased to 2 itime 83746 + acceleration/energy drift too large 2.22235027611116 + 10.0797282196810 split increased to 2 itime 87967 itsplit 1 - acceleration/energy drift too large 2.51284077045022 - 28.1947389501806 split increased to 2 itime 83747 + acceleration/energy drift too large 4.06618995085872 + 10.2556647232415 split increased to 2 itime 87993 itsplit 1 - acceleration/energy drift too large 9.86094869589410 - 57.1547882019347 split increased to 2 itime 83842 + acceleration/energy drift too large 5.46533217080122 + 18.9519545819862 split increased to 2 itime 88083 itsplit 1 - acceleration/energy drift too large 11.6490479866609 - 44.1232813537605 split increased to 2 itime 84896 + acceleration/energy drift too large 4.35661767079769 + 13.6485379177394 split increased to 2 itime 88147 itsplit 1 - acceleration/energy drift too large 2.38344546521977 - 14.8174164401760 split increased to 2 itime 84897 + acceleration/energy drift too large 3.05413513905650 + 14.7150513609441 split increased to 2 itime 88148 itsplit 1 - acceleration/energy drift too large 7.43099319896510 - 27.5034346118822 split increased to 2 itime 85985 + acceleration/energy drift too large 5.29165936196420 + 15.6845738230786 split increased to 2 itime 88162 itsplit 1 - acceleration/energy drift too large 7.93068788353024 - 25.2981897829692 split increased to 2 itime 89407 +Velocities reset to random values, time 17999.80 + acceleration/energy drift too large 12.0869002578448 + 60.9580124863403 split increased to 2 itime 91064 itsplit 1 - acceleration/energy drift too large 7.88082487806058 - 29.5554072108418 split increased to 2 itime 89802 + acceleration/energy drift too large 4.88217813914722 + 19.0387637529673 split increased to 2 itime 94245 itsplit 1 -Velocities reset to random values, time 17999.80 - acceleration/energy drift too large 6.44480847945492 - 21.1790577648411 split increased to 2 itime 93298 + acceleration/energy drift too large 7.45369542446815 + 21.9222798621868 split increased to 2 itime 95027 itsplit 1 - acceleration/energy drift too large 2.18541783201846 - 13.4921086850343 split increased to 2 itime 93917 + acceleration/energy drift too large 1.95297502238896 + 11.0934339190289 split increased to 2 itime 95028 itsplit 1 - acceleration/energy drift too large 2.10867157793055 - 12.8262537529640 split increased to 2 itime 95288 + acceleration/energy drift too large 5.98703166235174 + 20.2657581349062 split increased to 2 itime 96444 itsplit 1 - acceleration/energy drift too large 5.56737649914396 - 19.8142665709726 split increased to 2 itime 97445 + acceleration/energy drift too large 8.48444340493494 + 35.6188308867794 split increased to 2 itime 97012 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= 33.0312500000000 0.000000000000000E+000 + REMD gather times= 41.3242187500000 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 3 270.00000 0.00000 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 0.00000 1 -ACC 6 300.00000 1.00000 1 -ACC 7 310.00000 0.00000 1 +ACC 6 300.00000 0.00000 1 +ACC 7 310.00000 1.00000 1 ACC 8 320.00000 1.00000 1 ACC 9 330.00000 0.00000 1 ACC 10 340.00000 0.00000 1 ACC 11 350.00000 1.00000 1 ACC 12 360.00000 1.00000 1 -ACC 13 370.00000 1.00000 1 -ACC 14 380.00000 0.00000 1 +ACC 13 370.00000 0.00000 1 +ACC 14 380.00000 1.00000 1 ACC 15 390.00000 1.00000 1 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 7.47751875862093 - 25.5449713464121 split increased to 2 itime 100514 + acceleration/energy drift too large 5.93513861650592 + 28.6617519856178 split increased to 2 itime 100016 + itsplit 1 + acceleration/energy drift too large 2.94593026509243 + 12.3655833324725 split increased to 2 itime 101359 itsplit 1 - acceleration/energy drift too large 4.07864525408062 - 10.9735912764235 split increased to 2 itime 101180 + acceleration/energy drift too large 6.85096607318400 + 16.1916115655967 split increased to 2 itime 101607 itsplit 1 - acceleration/energy drift too large 5.44169258141506 - 13.9981586755443 split increased to 2 itime 101649 + acceleration/energy drift too large 4.00665737220926 + 10.4724172143073 split increased to 2 itime 102032 itsplit 1 - acceleration/energy drift too large 5.84596412995461 - 20.9296218959883 split increased to 2 itime 103402 + acceleration/energy drift too large 14.5894834372748 + 86.3816252343415 split increased to 2 itime 103865 itsplit 1 - acceleration/energy drift too large 3.72098345213532 - 31.3411412279215 split increased to 2 itime 104808 + acceleration/energy drift too large 10.2762851503161 + 41.9569320621232 split increased to 2 itime 104075 itsplit 1 - acceleration/energy drift too large 11.2898137721479 - 60.9896698403549 split increased to 2 itime 107084 + acceleration/energy drift too large 4.80084841317229 + 23.1564792277737 split increased to 2 itime 104835 itsplit 1 + acceleration/energy drift too large 4.41273995891279 + 11.7499164487429 split increased to 2 itime 109082 + itsplit 1 + acceleration/energy drift too large 6.27497541749042 + 29.5466499150606 split increased to 2 itime 109370 + itsplit 1 + acceleration/energy drift too large 10.9288674887910 + 59.2983868505591 split increased to 2 itime 109974 + itsplit 1 + acceleration/energy drift too large 2.16038961536281 + 10.7169239739392 split increased to 4 itime 109974 + itsplit 2 Velocities reset to random values, time 21999.80 - acceleration/energy drift too large 4.40865361374287 - 14.2579424030985 split increased to 2 itime 111821 + acceleration/energy drift too large 7.81955046533018 + 26.8815326563844 split increased to 2 itime 112048 + itsplit 1 + acceleration/energy drift too large 3.73239621850074 + 11.3653365630248 split increased to 2 itime 112232 + itsplit 1 + acceleration/energy drift too large 9.82379670533331 + 37.5035161702640 split increased to 2 itime 112476 + itsplit 1 + acceleration/energy drift too large 2.53846855487312 + 19.5369737269602 split increased to 2 itime 113731 itsplit 1 - acceleration/energy drift too large 6.16713787185276 - 10.8523195397016 split increased to 2 itime 113358 + acceleration/energy drift too large 6.00017138967663 + 21.2149693982569 split increased to 2 itime 114147 itsplit 1 - acceleration/energy drift too large 5.59105089622593 - 14.6341534422653 split increased to 2 itime 116315 + acceleration/energy drift too large 2.83424196424195 + 14.9154243170554 split increased to 2 itime 114509 itsplit 1 - acceleration/energy drift too large 2.08126745068321 - 13.5841017378972 split increased to 2 itime 117479 + acceleration/energy drift too large 5.39887429826091 + 11.1762309159555 split increased to 2 itime 115668 itsplit 1 - acceleration/energy drift too large 11.3964583290280 - 63.5542959967667 split increased to 2 itime 117822 + acceleration/energy drift too large 8.59665291109067 + 25.9403058332849 split increased to 2 itime 116009 itsplit 1 - acceleration/energy drift too large 7.93532310808588 - 24.7279347218759 split increased to 2 itime 117921 + acceleration/energy drift too large 6.17572227741080 + 25.4229300857791 split increased to 2 itime 116339 itsplit 1 - acceleration/energy drift too large 2.58783009205759 - 11.4687547170133 split increased to 2 itime 119620 + acceleration/energy drift too large 6.38082623100020 + 24.0244138542674 split increased to 2 itime 116673 itsplit 1 - acceleration/energy drift too large 13.3614421842744 - 78.9401795892064 split increased to 2 itime 119944 + acceleration/energy drift too large 6.35706181151403 + 15.3336143372090 split increased to 2 itime 119988 + itsplit 1 + acceleration/energy drift too large 1.54739777903459 + 10.7944751574952 split increased to 2 itime 119989 itsplit 1 Velocities reset to random values, time 23999.80 - acceleration/energy drift too large 9.35219129126635 - 46.0916077009836 split increased to 2 itime 122095 + acceleration/energy drift too large 11.0010705884253 + 46.5779190582905 split increased to 2 itime 120512 + itsplit 1 + acceleration/energy drift too large 2.34923675270493 + 10.9180234866370 split increased to 4 itime 120512 itsplit 1 - acceleration/energy drift too large 5.39558567625896 - 12.8631347533727 split increased to 2 itime 123530 + acceleration/energy drift too large 7.04039121924300 + 17.4258150115111 split increased to 2 itime 122316 itsplit 1 - acceleration/energy drift too large 5.52744402952823 - 13.5570984817836 split increased to 2 itime 123841 + acceleration/energy drift too large 5.84358182125819 + 12.7813766302032 split increased to 2 itime 125349 itsplit 1 - acceleration/energy drift too large 5.02333906300500 - 17.7041782929329 split increased to 2 itime 126250 + acceleration/energy drift too large 5.19424816312189 + 20.4866154686175 split increased to 2 itime 126456 itsplit 1 - acceleration/energy drift too large 9.00135975010131 - 26.8278467598703 split increased to 2 itime 128271 + acceleration/energy drift too large 4.35287088828554 + 14.2069493374309 split increased to 2 itime 128321 itsplit 1 Velocities reset to random values, time 25999.80 - acceleration/energy drift too large 2.90369319729736 - 18.6290356932018 split increased to 2 itime 131430 + acceleration/energy drift too large 5.25633533942894 + 15.0106742155530 split increased to 2 itime 130434 itsplit 1 - acceleration/energy drift too large 5.19703791916983 - 10.3064512686059 split increased to 2 itime 133981 + acceleration/energy drift too large 6.42028889526217 + 14.4641310781880 split increased to 2 itime 130633 itsplit 1 - acceleration/energy drift too large 4.32633470764754 - 15.9710726340007 split increased to 2 itime 134103 + acceleration/energy drift too large 6.65178379409921 + 13.7281121403279 split increased to 2 itime 131765 itsplit 1 -Velocities reset to random values, time 27999.80 - acceleration/energy drift too large 12.1027000499844 - 72.2599914997127 split increased to 2 itime 140257 + acceleration/energy drift too large 4.08022818983795 + 19.2277258434627 split increased to 2 itime 132882 itsplit 1 - acceleration/energy drift too large 2.38704217039407 - 11.9480346067532 split increased to 4 itime 140257 + acceleration/energy drift too large 11.3484812103328 + 38.4698220595935 split increased to 2 itime 134236 itsplit 1 - acceleration/energy drift too large 2.69571353833265 - 22.9084017398372 split increased to 2 itime 143492 + acceleration/energy drift too large 5.61667785063145 + 36.3992357739707 split increased to 2 itime 134747 itsplit 1 - acceleration/energy drift too large 4.41205703912584 - 11.5243929020828 split increased to 2 itime 144593 + acceleration/energy drift too large 4.22149402461153 + 10.8482933436149 split increased to 2 itime 137351 + itsplit 1 + acceleration/energy drift too large 6.53074198772612 + 12.8466323253727 split increased to 2 itime 139757 + itsplit 1 +Velocities reset to random values, time 27999.80 + acceleration/energy drift too large 4.74274763022155 + 15.2298569992084 split increased to 2 itime 140869 itsplit 1 - acceleration/energy drift too large 3.74725743918734 - 28.3399417306612 split increased to 2 itime 145834 + acceleration/energy drift too large 5.95782169053832 + 28.9657311437838 split increased to 2 itime 142748 itsplit 1 - acceleration/energy drift too large 9.47582033248301 - 39.0678182595833 split increased to 2 itime 146683 + acceleration/energy drift too large 5.33942237581445 + 16.0537144434226 split increased to 2 itime 145120 itsplit 1 - acceleration/energy drift too large 7.66864074108466 - 26.7850516854001 split increased to 2 itime 148543 + acceleration/energy drift too large 4.54326669871440 + 11.3018941500642 split increased to 2 itime 145121 itsplit 1 - acceleration/energy drift too large 5.16907715320873 - 13.4486569349165 split increased to 2 itime 149940 + acceleration/energy drift too large 3.34616009287506 + 11.7541504457757 split increased to 2 itime 145281 itsplit 1 Velocities reset to random values, time 29999.80 - acceleration/energy drift too large 6.55021944945666 - 17.8145413850905 split increased to 2 itime 152359 + acceleration/energy drift too large 6.43038530834879 + 12.5442460561467 split increased to 2 itime 151009 itsplit 1 - acceleration/energy drift too large 4.49418684877101 - 14.0413531009880 split increased to 2 itime 155364 + acceleration/energy drift too large 6.19973014860350 + 19.4112251401803 split increased to 2 itime 151972 itsplit 1 - acceleration/energy drift too large 7.82092466131203 - 15.2528944138096 split increased to 2 itime 155950 + acceleration/energy drift too large 6.33583528104485 + 15.3237929055735 split increased to 2 itime 152256 itsplit 1 - acceleration/energy drift too large 7.62235478316594 - 13.0065853520451 split increased to 2 itime 156692 + acceleration/energy drift too large 3.63929133923816 + 25.5958109542901 split increased to 2 itime 155054 itsplit 1 - acceleration/energy drift too large 2.40643466268650 - 10.0954332129897 split increased to 2 itime 156910 + acceleration/energy drift too large 8.87287164191711 + 26.6476373100856 split increased to 2 itime 159090 itsplit 1 Velocities reset to random values, time 31999.80 - acceleration/energy drift too large 7.35332891315433 - 28.4070895964848 split increased to 2 itime 161130 + acceleration/energy drift too large 6.43756754349056 + 12.4639955923611 split increased to 2 itime 160143 itsplit 1 - acceleration/energy drift too large 1.54322312640791 - 11.3990763256420 split increased to 2 itime 161131 + acceleration/energy drift too large 8.54074061935143 + 38.8896467105338 split increased to 2 itime 161616 itsplit 1 - acceleration/energy drift too large 3.34102187246166 - 20.4698491115587 split increased to 2 itime 161928 + acceleration/energy drift too large 4.15346706307488 + 12.9384953808585 split increased to 2 itime 162979 itsplit 1 - acceleration/energy drift too large 2.82477416069976 - 22.7352647130894 split increased to 2 itime 163245 + acceleration/energy drift too large 3.22507840657782 + 21.8696680239266 split increased to 2 itime 163693 itsplit 1 - acceleration/energy drift too large 4.07867339197659 - 17.4395403671786 split increased to 2 itime 163387 + acceleration/energy drift too large 11.3373818760639 + 61.3711293688740 split increased to 2 itime 164162 itsplit 1 - acceleration/energy drift too large 5.54010701824379 - 10.4194400699046 split increased to 2 itime 163509 + acceleration/energy drift too large 5.76667701443613 + 10.6053686606900 split increased to 2 itime 164748 itsplit 1 - acceleration/energy drift too large 8.99722073714139 - 37.3980232309123 split increased to 2 itime 164224 + acceleration/energy drift too large 9.15119565839555 + 38.3162835942076 split increased to 2 itime 166097 itsplit 1 - acceleration/energy drift too large 3.51459462617278 - 12.0701996263724 split increased to 2 itime 164331 + acceleration/energy drift too large 6.92476812983487 + 21.6947704388162 split increased to 2 itime 166911 itsplit 1 - acceleration/energy drift too large 3.00280395291864 - 11.0325758646670 split increased to 2 itime 164361 +Velocities reset to random values, time 33999.80 + acceleration/energy drift too large 4.00016352213372 + 11.0005566533539 split increased to 2 itime 170564 itsplit 1 - acceleration/energy drift too large 5.64321751351440 - 12.9886846619072 split increased to 2 itime 167825 + acceleration/energy drift too large 13.6903024510036 + 71.2350598652297 split increased to 2 itime 170738 itsplit 1 - acceleration/energy drift too large 3.93910733303676 - 15.4422590596853 split increased to 2 itime 168795 + acceleration/energy drift too large 1.98781785735850 + 14.6366954123303 split increased to 2 itime 170739 itsplit 1 -Velocities reset to random values, time 33999.80 - acceleration/energy drift too large 5.33583379878574 - 19.4103935815173 split increased to 2 itime 174037 + acceleration/energy drift too large 4.71114892543482 + 13.3897481617229 split increased to 2 itime 173020 + itsplit 1 + acceleration/energy drift too large 8.05126115324831 + 31.8173798908278 split increased to 2 itime 173065 itsplit 1 - acceleration/energy drift too large 6.84691446536164 - 27.7674989906776 split increased to 2 itime 174827 + acceleration/energy drift too large 2.48211251624321 + 23.8172756503275 split increased to 2 itime 173444 itsplit 1 - acceleration/energy drift too large 2.59238965788831 - 12.2741641270197 split increased to 2 itime 178416 + acceleration/energy drift too large 6.56774922332209 + 12.8859889422153 split increased to 2 itime 174785 itsplit 1 - acceleration/energy drift too large 2.66840583062836 - 13.9525103219437 split increased to 2 itime 178419 + acceleration/energy drift too large 4.70625978689595 + 10.3565054674371 split increased to 2 itime 175454 itsplit 1 - acceleration/energy drift too large 11.2329321701859 - 57.3452680492286 split increased to 2 itime 178672 + acceleration/energy drift too large 7.68385958718392 + 24.6476599890223 split increased to 2 itime 176854 itsplit 1 - acceleration/energy drift too large 4.55654245731672 - 17.7033972509772 split increased to 2 itime 178856 + acceleration/energy drift too large 4.37024122789862 + 13.1501246755790 split increased to 2 itime 177656 + itsplit 1 + acceleration/energy drift too large 1.00827975603581 + 10.5542970800050 split increased to 2 itime 179369 + itsplit 1 + acceleration/energy drift too large 4.85720462005250 + 10.9252798398133 split increased to 2 itime 179908 itsplit 1 Velocities reset to random values, time 35999.80 - acceleration/energy drift too large 5.88354877597427 - 13.7364753174062 split increased to 2 itime 180587 + acceleration/energy drift too large 7.10671792269137 + 22.9038076402771 split increased to 2 itime 182060 + itsplit 1 + acceleration/energy drift too large 10.5200658661234 + 61.5248511890765 split increased to 2 itime 182770 itsplit 1 - acceleration/energy drift too large 7.09893521161183 - 19.6090709744255 split increased to 2 itime 182984 + acceleration/energy drift too large 2.51649869688141 + 10.2604927296180 split increased to 4 itime 182770 itsplit 1 - acceleration/energy drift too large 4.14110955639075 - 10.9459986120418 split increased to 2 itime 183134 + acceleration/energy drift too large 2.38612819383852 + 13.2162310888593 split increased to 2 itime 183991 itsplit 1 - acceleration/energy drift too large 2.89086588978128 - 21.1042847744719 split increased to 2 itime 186026 + acceleration/energy drift too large 4.08298336909932 + 10.7926649011513 split increased to 2 itime 184556 itsplit 1 - acceleration/energy drift too large 7.23153334359751 - 16.5674917114068 split increased to 2 itime 186191 + acceleration/energy drift too large 2.43503234596461 + 12.9879309784479 split increased to 2 itime 185485 itsplit 1 - acceleration/energy drift too large 3.43468477782184 - 26.5159253886503 split increased to 2 itime 186715 + acceleration/energy drift too large 2.85236851200964 + 12.8960888455026 split increased to 2 itime 185664 itsplit 1 - acceleration/energy drift too large 9.06208103535362 - 24.3049832918958 split increased to 2 itime 189073 + acceleration/energy drift too large 4.11973854650120 + 12.7639093424629 split increased to 2 itime 188385 itsplit 1 - acceleration/energy drift too large 7.62267091712175 - 17.4749221042404 split increased to 2 itime 189564 + acceleration/energy drift too large 4.51550758035281 + 22.3944965672669 split increased to 2 itime 189648 + itsplit 1 + acceleration/energy drift too large 6.60119818828983 + 28.6774426858893 split increased to 2 itime 189876 itsplit 1 Velocities reset to random values, time 37999.80 - acceleration/energy drift too large 4.96682565014359 - 13.2968307244120 split increased to 2 itime 191792 + acceleration/energy drift too large 6.16274881873996 + 24.7551962705497 split increased to 2 itime 190447 + itsplit 1 + acceleration/energy drift too large 2.14411673387550 + 16.7185591162685 split increased to 2 itime 190448 itsplit 1 - acceleration/energy drift too large 4.33069639198321 - 11.2636291162189 split increased to 2 itime 195332 + acceleration/energy drift too large 12.7213070586935 + 78.4196782354728 split increased to 2 itime 191414 itsplit 1 - acceleration/energy drift too large 9.84781303065440 - 48.5023933456022 split increased to 2 itime 195754 + acceleration/energy drift too large 4.79174427316840 + 17.0975258531082 split increased to 2 itime 196621 itsplit 1 - acceleration/energy drift too large 2.27986823891657 - 10.8724913837531 split increased to 2 itime 195755 + acceleration/energy drift too large 2.18147054637810 + 11.7577308544435 split increased to 2 itime 196622 itsplit 1 - acceleration/energy drift too large 6.40113761220497 - 11.3092049449880 split increased to 2 itime 197720 + acceleration/energy drift too large 2.74378588988487 + 22.0246636849097 split increased to 2 itime 196839 itsplit 1 - acceleration/energy drift too large 5.80965436737274 - 13.5600545734404 split increased to 2 itime 198804 + acceleration/energy drift too large 8.05194057782343 + 18.5257176066138 split increased to 2 itime 197733 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= 66.1406250000000 0.000000000000000E+000 + REMD gather times= 83.2929687500000 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 2 -ACC 2 260.00000 1.00000 2 -ACC 3 270.00000 0.50000 2 +ACC 1 250.00000 0.50000 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 0.50000 2 -ACC 6 300.00000 1.00000 2 +ACC 6 300.00000 0.50000 2 ACC 7 310.00000 0.50000 2 -ACC 8 320.00000 0.50000 2 -ACC 9 330.00000 0.00000 2 +ACC 8 320.00000 1.00000 2 +ACC 9 330.00000 0.50000 2 ACC 10 340.00000 0.50000 2 -ACC 11 350.00000 0.50000 2 +ACC 11 350.00000 1.00000 2 ACC 12 360.00000 1.00000 2 -ACC 13 370.00000 1.00000 2 -ACC 14 380.00000 0.50000 2 +ACC 13 370.00000 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 2.07414209823153 - 12.0563725198080 split increased to 2 itime 200329 + acceleration/energy drift too large 4.59408864483122 + 12.0558249348045 split increased to 2 itime 203579 + itsplit 1 + acceleration/energy drift too large 2.73599250700779 + 14.8626669014985 split increased to 2 itime 204282 itsplit 1 - acceleration/energy drift too large 5.43792286814021 - 17.8710130503782 split increased to 2 itime 201033 + acceleration/energy drift too large 8.31634426661832 + 29.4255928278135 split increased to 2 itime 205286 itsplit 1 - acceleration/energy drift too large 6.09427061989615 - 22.9396296621916 split increased to 2 itime 202015 + acceleration/energy drift too large 1.54625494677873 + 15.1624323911780 split increased to 2 itime 205287 itsplit 1 - acceleration/energy drift too large 6.25410110008772 - 16.4093599323524 split increased to 2 itime 202218 + acceleration/energy drift too large 8.66182718985187 + 33.1905490207592 split increased to 2 itime 205685 itsplit 1 - acceleration/energy drift too large 4.89326478889056 - 11.6807195000026 split increased to 2 itime 203682 + acceleration/energy drift too large 9.13092632729939 + 37.2074484278480 split increased to 2 itime 205833 itsplit 1 - acceleration/energy drift too large 7.60178294879138 - 25.6114249413718 split increased to 2 itime 205551 + acceleration/energy drift too large 0.709681188924940 + 12.9865617346389 split increased to 2 itime 205834 itsplit 1 - acceleration/energy drift too large 4.22869516260420 - 10.9721510415164 split increased to 2 itime 206773 + acceleration/energy drift too large 3.92634174259366 + 10.7024357862876 split increased to 2 itime 207419 itsplit 1 - acceleration/energy drift too large 4.52812569284220 - 13.4665899040602 split increased to 2 itime 209941 + acceleration/energy drift too large 10.9148485597084 + 43.4457948255316 split increased to 2 itime 208334 + itsplit 1 + acceleration/energy drift too large 2.44718186008993 + 11.8035333163884 split increased to 2 itime 209422 + itsplit 1 + acceleration/energy drift too large 5.01763661395249 + 16.7922727245692 split increased to 2 itime 209868 itsplit 1 Velocities reset to random values, time 41999.80 - acceleration/energy drift too large 4.53998935837118 - 10.5456392570919 split increased to 2 itime 210579 + acceleration/energy drift too large 6.61929499240186 + 30.6306170475971 split increased to 2 itime 210383 + itsplit 1 + acceleration/energy drift too large 4.28360811516255 + 25.9749345627328 split increased to 2 itime 211084 itsplit 1 - acceleration/energy drift too large 2.76369313833234 - 20.7410048037529 split increased to 2 itime 212534 + acceleration/energy drift too large 5.01466805108561 + 17.1365180315037 split increased to 2 itime 212605 itsplit 1 - acceleration/energy drift too large 9.66089076598050 - 52.8472177382787 split increased to 2 itime 212935 + acceleration/energy drift too large 7.80601320907850 + 29.6763213268298 split increased to 2 itime 214578 itsplit 1 - acceleration/energy drift too large 9.79496782943314 - 45.7572648060199 split increased to 2 itime 218814 + acceleration/energy drift too large 2.60999942929025 + 10.0848303222503 split increased to 2 itime 215155 itsplit 1 - acceleration/energy drift too large 5.32068158111846 - 12.1919282766055 split increased to 2 itime 219191 + acceleration/energy drift too large 3.86666704245465 + 11.3807625264393 split increased to 2 itime 217152 + itsplit 1 + acceleration/energy drift too large 6.39539977336902 + 26.8394914157008 split increased to 2 itime 218225 + itsplit 1 + acceleration/energy drift too large 1.96001737983379 + 10.0630460940503 split increased to 2 itime 219788 + itsplit 1 + acceleration/energy drift too large 2.93444586528398 + 10.5828683706290 split increased to 2 itime 219841 itsplit 1 Velocities reset to random values, time 43999.80 - acceleration/energy drift too large 5.28905805835363 - 17.0819493974468 split increased to 2 itime 223191 + acceleration/energy drift too large 2.40328511949559 + 17.9483934762652 split increased to 2 itime 220716 + itsplit 1 + acceleration/energy drift too large 6.45258462901250 + 26.0945023333158 split increased to 2 itime 221270 + itsplit 1 + acceleration/energy drift too large 4.23308996684634 + 11.3576310528166 split increased to 2 itime 223538 + itsplit 1 + acceleration/energy drift too large 3.81906414352634 + 10.3732287061085 split increased to 2 itime 223737 + itsplit 1 + acceleration/energy drift too large 4.41439393141235 + 24.1668518266648 split increased to 2 itime 224917 itsplit 1 - acceleration/energy drift too large 8.50111846038221 - 32.6438656240447 split increased to 2 itime 223377 + acceleration/energy drift too large 10.0475752078166 + 23.2109597267737 split increased to 2 itime 224988 itsplit 1 - acceleration/energy drift too large 3.93079710351154 - 30.1136620046844 split increased to 2 itime 224468 + acceleration/energy drift too large 4.71864488720977 + 11.3845369327899 split increased to 2 itime 224997 itsplit 1 - acceleration/energy drift too large 7.51073689628212 - 33.6063304411252 split increased to 2 itime 224973 + acceleration/energy drift too large 9.42857395214169 + 41.2904650673104 split increased to 2 itime 225050 itsplit 1 - acceleration/energy drift too large 4.05204451352571 - 13.6778308222909 split increased to 2 itime 225078 + acceleration/energy drift too large 8.72888190628566 + 17.7411147950760 split increased to 2 itime 225079 itsplit 1 - acceleration/energy drift too large 6.02532905190700 - 16.9403458223521 split increased to 2 itime 226423 + acceleration/energy drift too large 4.72254076388948 + 19.9287877633090 split increased to 2 itime 225554 itsplit 1 - acceleration/energy drift too large 2.90238076664903 - 16.8794667449051 split increased to 2 itime 228016 + acceleration/energy drift too large 5.11461192891853 + 10.0833881500307 split increased to 2 itime 226213 itsplit 1 - acceleration/energy drift too large 14.3751026845630 - 110.698787830979 split increased to 2 itime 229112 + acceleration/energy drift too large 6.02186855813688 + 14.1461510643558 split increased to 2 itime 228436 itsplit 1 - acceleration/energy drift too large 2.96085029934159 - 10.1981182207276 split increased to 2 itime 229852 + acceleration/energy drift too large 4.22773033160916 + 10.7657976191876 split increased to 2 itime 228437 + itsplit 1 + acceleration/energy drift too large 4.64580189624746 + 10.2839101455895 split increased to 2 itime 228575 + itsplit 1 + acceleration/energy drift too large 3.83421492760248 + 10.7794029084714 split increased to 2 itime 228877 itsplit 1 Velocities reset to random values, time 45999.80 - acceleration/energy drift too large 6.88668497129105 - 23.0544045244218 split increased to 2 itime 231168 + acceleration/energy drift too large 3.52957986556487 + 13.2228438469939 split increased to 2 itime 232198 itsplit 1 - acceleration/energy drift too large 11.1593876399256 - 41.6541957558349 split increased to 2 itime 231699 + acceleration/energy drift too large 6.07188116802746 + 17.5134476134337 split increased to 2 itime 232793 itsplit 1 - acceleration/energy drift too large 3.66258392676894 - 10.8964653493111 split increased to 2 itime 239256 + acceleration/energy drift too large 10.8480853805683 + 49.0908290277122 split increased to 2 itime 235530 itsplit 1 Velocities reset to random values, time 47999.80 - acceleration/energy drift too large 3.37223993469837 - 15.8384490819893 split increased to 2 itime 242834 + acceleration/energy drift too large 13.2618711901055 + 91.2655369239421 split increased to 2 itime 241114 + itsplit 1 + acceleration/energy drift too large 4.12182398472707 + 11.1157352057395 split increased to 2 itime 243457 itsplit 1 - acceleration/energy drift too large 7.66080338429012 - 21.0836117032489 split increased to 2 itime 245603 + acceleration/energy drift too large 5.73062772146030 + 16.4048233684658 split increased to 2 itime 244659 itsplit 1 - acceleration/energy drift too large 3.27090889715702 - 20.9259643260654 split increased to 2 itime 246686 + acceleration/energy drift too large 9.74884741322674 + 50.8996772598169 split increased to 2 itime 245328 itsplit 1 - acceleration/energy drift too large 7.32572006307396 - 14.7927766119278 split increased to 2 itime 246991 + acceleration/energy drift too large 2.22064606371448 + 12.4207600938281 split increased to 2 itime 247770 itsplit 1 - acceleration/energy drift too large 6.69608746877587 - 15.8243832777417 split increased to 2 itime 248099 + acceleration/energy drift too large 5.62712609459097 + 14.1082468589472 split increased to 2 itime 248340 itsplit 1 - acceleration/energy drift too large 4.40239089222515 - 15.5033145864787 split increased to 2 itime 249259 + acceleration/energy drift too large 11.3888014403052 + 63.1921565033428 split increased to 2 itime 249171 + itsplit 1 + acceleration/energy drift too large 9.55296981923448 + 47.0886399813410 split increased to 2 itime 249899 itsplit 1 Velocities reset to random values, time 49999.80 - acceleration/energy drift too large 5.00528267997148 - 19.2345953091958 split increased to 2 itime 253358 + acceleration/energy drift too large 3.60019377253538 + 12.0982817526574 split increased to 2 itime 251165 + itsplit 1 + acceleration/energy drift too large 7.85852692877818 + 11.0225081594300 split increased to 2 itime 251879 itsplit 1 - acceleration/energy drift too large 4.03643905658413 - 11.1660394198559 split increased to 2 itime 254267 + acceleration/energy drift too large 6.51078874740090 + 15.0566397848030 split increased to 2 itime 251913 itsplit 1 - acceleration/energy drift too large 4.44588776243994 - 10.0005669522453 split increased to 2 itime 256225 + acceleration/energy drift too large 2.99105013230266 + 10.0380446871612 split increased to 2 itime 252018 itsplit 1 - acceleration/energy drift too large 4.35045999862963 - 16.9787968818540 split increased to 2 itime 256928 + acceleration/energy drift too large 14.5686698663935 + 84.5112170410911 split increased to 2 itime 254905 itsplit 1 - acceleration/energy drift too large 9.40539566843459 - 41.9855452786899 split increased to 2 itime 256976 + acceleration/energy drift too large 3.79612407938973 + 22.3130820797425 split increased to 4 itime 254905 + itsplit 2 + acceleration/energy drift too large 3.65341353705152 + 10.4669418688403 split increased to 2 itime 255098 itsplit 1 - acceleration/energy drift too large 5.26063277622618 - 18.6684801364469 split increased to 2 itime 258370 + acceleration/energy drift too large 6.03706093738253 + 41.2153436311167 split increased to 2 itime 256695 itsplit 1 - acceleration/energy drift too large 4.24351072812071 - 10.1468437953451 split increased to 2 itime 259254 + acceleration/energy drift too large 3.66186584358054 + 12.8922563820257 split increased to 2 itime 256699 itsplit 1 - acceleration/energy drift too large 6.20252038299588 - 21.7938916286108 split increased to 2 itime 259434 + acceleration/energy drift too large 6.10161337453991 + 37.2340783168568 split increased to 2 itime 256748 itsplit 1 - acceleration/energy drift too large 3.52019735726384 - 15.5403710288937 split increased to 2 itime 259844 + acceleration/energy drift too large 5.89309428021383 + 14.6005416015485 split increased to 2 itime 256812 + itsplit 1 + acceleration/energy drift too large 0.908541415452403 + 10.0858359465829 split increased to 2 itime 256813 + itsplit 1 + acceleration/energy drift too large 7.10032154667374 + 16.6927546409451 split increased to 2 itime 257040 + itsplit 1 + acceleration/energy drift too large 2.40321301573065 + 13.6082964558467 split increased to 2 itime 257084 itsplit 1 Velocities reset to random values, time 51999.80 - acceleration/energy drift too large 4.39227187257631 - 10.6119180668478 split increased to 2 itime 261534 + acceleration/energy drift too large 2.60968315976693 + 12.6976307936141 split increased to 2 itime 261071 itsplit 1 - acceleration/energy drift too large 6.49481217969686 - 11.2071435680491 split increased to 2 itime 263381 + acceleration/energy drift too large 3.73132968750636 + 12.7070406502369 split increased to 2 itime 262016 itsplit 1 - acceleration/energy drift too large 4.27198667029657 - 11.5596954068170 split increased to 2 itime 266040 + acceleration/energy drift too large 5.13912045107119 + 15.0972899055288 split increased to 2 itime 263749 itsplit 1 - acceleration/energy drift too large 5.21868792250144 - 17.4978507044932 split increased to 2 itime 266348 + acceleration/energy drift too large 7.86486063776132 + 17.6202122391229 split increased to 2 itime 264940 itsplit 1 - acceleration/energy drift too large 4.54105069500913 - 10.9413175160461 split increased to 2 itime 268163 + acceleration/energy drift too large 6.21532916950030 + 17.2608699248967 split increased to 2 itime 266431 + itsplit 1 + acceleration/energy drift too large 3.73033151712000 + 11.2947928872528 split increased to 2 itime 269847 itsplit 1 Velocities reset to random values, time 53999.80 - acceleration/energy drift too large 4.47520237806007 - 10.5872139442920 split increased to 2 itime 270266 + acceleration/energy drift too large 3.99540200963912 + 11.8667209490179 split increased to 2 itime 270182 itsplit 1 - acceleration/energy drift too large 8.68736755213388 - 40.7955209425880 split increased to 2 itime 276849 + acceleration/energy drift too large 9.26636066801333 + 41.8287750555397 split increased to 2 itime 271467 itsplit 1 - acceleration/energy drift too large 5.52257193741285 - 36.3779700496623 split increased to 2 itime 277070 + acceleration/energy drift too large 7.12789968032941 + 24.4758982889634 split increased to 2 itime 271616 itsplit 1 -Velocities reset to random values, time 55999.80 - acceleration/energy drift too large 12.7955583010754 - 66.3241740551414 split increased to 2 itime 282386 + acceleration/energy drift too large 5.03595023147757 + 20.4736188711624 split increased to 2 itime 272923 + itsplit 1 + acceleration/energy drift too large 4.25125100078329 + 20.1886027671162 split increased to 2 itime 273094 + itsplit 1 + acceleration/energy drift too large 4.75993481613499 + 11.8001263173960 split increased to 2 itime 274240 + itsplit 1 + acceleration/energy drift too large 3.71357339631975 + 33.1825902947021 split increased to 2 itime 274301 + itsplit 1 + acceleration/energy drift too large 5.89622793858152 + 30.1206116496957 split increased to 2 itime 274420 + itsplit 1 + acceleration/energy drift too large 6.77615095227000 + 13.3108336258807 split increased to 2 itime 275814 + itsplit 1 + acceleration/energy drift too large 6.23632689023794 + 16.7098632690357 split increased to 2 itime 275856 + itsplit 1 + acceleration/energy drift too large 3.67804550555980 + 31.4810039435326 split increased to 2 itime 276570 itsplit 1 - acceleration/energy drift too large 4.53954051257308 - 13.6625925037335 split increased to 2 itime 284609 + acceleration/energy drift too large 8.45494725703595 + 23.0536492087727 split increased to 2 itime 277933 itsplit 1 - acceleration/energy drift too large 3.62908661756334 - 11.7762957154061 split increased to 2 itime 286707 + acceleration/energy drift too large 5.48911458393291 + 10.5103165860132 split increased to 2 itime 278844 itsplit 1 - acceleration/energy drift too large 5.87899878145218 - 18.9830523678394 split increased to 2 itime 287476 + acceleration/energy drift too large 7.40105036254575 + 16.0689853102769 split increased to 2 itime 278847 itsplit 1 - acceleration/energy drift too large 5.72202157585342 - 17.6441871558683 split increased to 2 itime 287545 + acceleration/energy drift too large 6.10554939066468 + 40.6718336250730 split increased to 2 itime 279118 itsplit 1 - acceleration/energy drift too large 5.82353846167215 - 25.7418989277909 split increased to 2 itime 289694 +Velocities reset to random values, time 55999.80 + acceleration/energy drift too large 3.28537470410276 + 20.6747400121524 split increased to 2 itime 281765 + itsplit 1 + acceleration/energy drift too large 4.70342065008458 + 15.9989645918771 split increased to 2 itime 283859 + itsplit 1 + acceleration/energy drift too large 5.84140696777540 + 20.4774264195300 split increased to 2 itime 284762 + itsplit 1 + acceleration/energy drift too large 2.03082158198540 + 11.2720725752092 split increased to 2 itime 287493 + itsplit 1 + acceleration/energy drift too large 7.00309966683752 + 16.0617861935087 split increased to 2 itime 287606 itsplit 1 Velocities reset to random values, time 57999.80 - acceleration/energy drift too large 15.6250661151777 - 112.558002619151 split increased to 2 itime 290002 + acceleration/energy drift too large 6.22308905806400 + 15.1466023622204 split increased to 2 itime 291339 itsplit 1 - acceleration/energy drift too large 2.40479027403814 - 10.7868576631004 split increased to 4 itime 290002 + acceleration/energy drift too large 9.70117018326357 + 41.4822538094974 split increased to 2 itime 292002 itsplit 1 - acceleration/energy drift too large 2.84581148956470 - 13.0370987762028 split increased to 2 itime 292166 + acceleration/energy drift too large 9.75868237189028 + 63.6387826163161 split increased to 2 itime 292093 itsplit 1 - acceleration/energy drift too large 6.62092050527519 - 20.1587919189670 split increased to 2 itime 293138 + acceleration/energy drift too large 6.14325235360887 + 11.1826495498602 split increased to 2 itime 293284 itsplit 1 - acceleration/energy drift too large 5.76492518022225 - 18.2438244057071 split increased to 2 itime 293205 + acceleration/energy drift too large 3.76747310928708 + 13.4650618907294 split increased to 2 itime 294149 itsplit 1 - acceleration/energy drift too large 5.54917977772849 - 15.2961657441590 split increased to 2 itime 293435 + acceleration/energy drift too large 5.01265935279020 + 11.9943450533954 split increased to 2 itime 294539 itsplit 1 - acceleration/energy drift too large 5.17811066067095 - 12.7562866052431 split increased to 2 itime 294771 + acceleration/energy drift too large 9.16741338746442 + 44.3606984722091 split increased to 2 itime 294839 itsplit 1 - acceleration/energy drift too large 5.34021069195665 - 14.2396695918083 split increased to 2 itime 295077 + acceleration/energy drift too large 4.23353641133757 + 20.9119667288597 split increased to 2 itime 294979 itsplit 1 - acceleration/energy drift too large 2.23384526126143 - 12.3579371949379 split increased to 2 itime 295078 + acceleration/energy drift too large 3.53076040140374 + 11.3639811419579 split increased to 2 itime 294980 itsplit 1 - acceleration/energy drift too large 7.08108610859793 - 33.6379221309422 split increased to 2 itime 295747 + acceleration/energy drift too large 7.36707832486697 + 20.7367661850704 split increased to 2 itime 298157 itsplit 1 - acceleration/energy drift too large 6.51059365168459 - 14.9030755926860 split increased to 2 itime 296334 + acceleration/energy drift too large 6.94842563034066 + 15.5955651015081 split increased to 2 itime 298877 itsplit 1 - acceleration/energy drift too large 7.14949008842554 - 17.0416171390976 split increased to 2 itime 298661 + acceleration/energy drift too large 1.65154538894140 + 10.1972097545943 split increased to 2 itime 298979 itsplit 1 - acceleration/energy drift too large 1.23580101900629 - 10.9024606157959 split increased to 2 itime 299673 + acceleration/energy drift too large 7.15185215344458 + 13.5153996844075 split increased to 2 itime 299251 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= 99.7070312500000 0.000000000000000E+000 + REMD gather times= 125.699218750000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.00000 3 -ACC 2 260.00000 0.66667 3 -ACC 3 270.00000 0.33333 3 +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 0.66667 3 +ACC 5 290.00000 0.33333 3 ACC 6 300.00000 0.66667 3 ACC 7 310.00000 0.66667 3 -ACC 8 320.00000 0.33333 3 -ACC 9 330.00000 0.00000 3 +ACC 8 320.00000 0.66667 3 +ACC 9 330.00000 0.33333 3 ACC 10 340.00000 0.66667 3 -ACC 11 350.00000 0.66667 3 +ACC 11 350.00000 1.00000 3 ACC 12 360.00000 1.00000 3 -ACC 13 370.00000 1.00000 3 -ACC 14 380.00000 0.33333 3 +ACC 13 370.00000 0.66667 3 +ACC 14 380.00000 1.00000 3 ACC 15 390.00000 1.00000 3 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 2.53192077144098 - 19.4413455747984 split increased to 2 itime 301013 - itsplit 1 - acceleration/energy drift too large 2.51846037812669 - 12.8605085785537 split increased to 2 itime 301750 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 6.14036705770926 + 18.0199551501946 split increased to 2 itime 305267 itsplit 1 - acceleration/energy drift too large 9.29928641428075 - 48.1402269734789 split increased to 2 itime 303411 + acceleration/energy drift too large 4.26377192331095 + 13.4952974061908 split increased to 2 itime 305406 itsplit 1 - acceleration/energy drift too large 4.20364977433121 - 14.6152449024260 split increased to 2 itime 303454 + acceleration/energy drift too large 5.47006528594019 + 18.6119922012360 split increased to 2 itime 305913 itsplit 1 - acceleration/energy drift too large 5.21187929696737 - 18.8578322031108 split increased to 2 itime 304135 + acceleration/energy drift too large 4.36090742371089 + 16.0707712500590 split increased to 2 itime 307806 itsplit 1 - acceleration/energy drift too large 6.17117200053113 - 23.3993914473717 split increased to 2 itime 304152 + acceleration/energy drift too large 5.78933950278265 + 15.4887855891323 split increased to 2 itime 308067 itsplit 1 - acceleration/energy drift too large 6.19640433418686 - 17.1605474998751 split increased to 2 itime 306343 + acceleration/energy drift too large 6.00010328017043 + 17.9279340627604 split increased to 2 itime 309665 itsplit 1 - acceleration/energy drift too large 5.26089509725546 - 20.7862513216124 split increased to 2 itime 307409 + acceleration/energy drift too large 3.24541600676081 + 10.2002976141646 split increased to 2 itime 309907 itsplit 1 Velocities reset to random values, time 61999.80 - acceleration/energy drift too large 5.57903895715736 - 16.9693805596705 split increased to 2 itime 313618 + acceleration/energy drift too large 1.57988619191636 + 15.8076830206352 split increased to 2 itime 310385 itsplit 1 - acceleration/energy drift too large 8.20154668993988 - 18.2821558407760 split increased to 2 itime 315173 + acceleration/energy drift too large 8.18014635192363 + 28.0593848813975 split increased to 2 itime 312985 itsplit 1 - acceleration/energy drift too large 5.89061265115339 - 11.0212145403702 split increased to 2 itime 315967 + acceleration/energy drift too large 2.33150861681571 + 11.4815032368564 split increased to 2 itime 313167 itsplit 1 - acceleration/energy drift too large 5.55483825306002 - 11.0296161317852 split increased to 2 itime 316502 + acceleration/energy drift too large 7.86916827700445 + 30.9957201611157 split increased to 2 itime 314554 itsplit 1 - acceleration/energy drift too large 6.36381397484558 - 18.9648243041679 split increased to 2 itime 316696 + acceleration/energy drift too large 10.6617905701826 + 46.6034537820851 split increased to 2 itime 315154 itsplit 1 - acceleration/energy drift too large 13.8799316890061 - 77.9513504898519 split increased to 2 itime 317010 - itsplit 1 - acceleration/energy drift too large 4.71382437526507 - 14.6403733942144 split increased to 2 itime 318226 + acceleration/energy drift too large 3.66440750901955 + 20.4676098657149 split increased to 2 itime 315481 itsplit 1 Velocities reset to random values, time 63999.80 - acceleration/energy drift too large 7.06715532330402 - 36.1373384667654 split increased to 2 itime 320167 - itsplit 1 - acceleration/energy drift too large 2.08613882028108 - 12.4508930654809 split increased to 2 itime 321442 + acceleration/energy drift too large 2.39463220234441 + 10.4728553312615 split increased to 2 itime 322451 itsplit 1 - acceleration/energy drift too large 4.18546622805350 - 13.7707092108901 split increased to 2 itime 323480 + acceleration/energy drift too large 7.13329635658139 + 20.2276122837697 split increased to 2 itime 323751 itsplit 1 - acceleration/energy drift too large 3.56120653132826 - 10.8243324314884 split increased to 2 itime 325450 + acceleration/energy drift too large 3.12073042991107 + 23.8058701954618 split increased to 2 itime 324262 itsplit 1 -Velocities reset to random values, time 65999.80 - acceleration/energy drift too large 6.18977511014005 - 25.5028263948053 split increased to 2 itime 334156 + acceleration/energy drift too large 4.95127578640813 + 13.6277428912764 split increased to 2 itime 326405 itsplit 1 - acceleration/energy drift too large 4.41248793686944 - 13.2917100675527 split increased to 2 itime 335181 + acceleration/energy drift too large 3.94302510404216 + 14.3050194790243 split increased to 2 itime 326516 itsplit 1 - acceleration/energy drift too large 5.28661996019666 - 20.4125794168544 split increased to 2 itime 335553 + acceleration/energy drift too large 7.70336276126331 + 30.4653326645627 split increased to 2 itime 327311 itsplit 1 - acceleration/energy drift too large 4.88919023988760 - 26.4223939928684 split increased to 2 itime 336722 + acceleration/energy drift too large 2.14945731392158 + 11.0402503418114 split increased to 2 itime 329749 itsplit 1 - acceleration/energy drift too large 3.61877480820579 - 10.5809614326893 split increased to 2 itime 336919 + acceleration/energy drift too large 1.96598025355131 + 11.1611501389205 split increased to 2 itime 329992 itsplit 1 - acceleration/energy drift too large 2.03166239073369 - 10.2717762346269 split increased to 2 itime 337894 +Velocities reset to random values, time 65999.80 + acceleration/energy drift too large 4.51681682489947 + 19.2612884956617 split increased to 2 itime 331485 itsplit 1 - acceleration/energy drift too large 6.30131979908843 - 11.4638134231309 split increased to 2 itime 338469 + acceleration/energy drift too large 6.99338235112554 + 17.8366713951685 split increased to 2 itime 334848 itsplit 1 - acceleration/energy drift too large 6.53471271645322 - 24.7924758720616 split increased to 2 itime 339013 + acceleration/energy drift too large 2.92502706654216 + 20.2546769500537 split increased to 2 itime 335356 itsplit 1 Velocities reset to random values, time 67999.80 - acceleration/energy drift too large 5.67976060258287 - 24.3786299724186 split increased to 2 itime 341378 + acceleration/energy drift too large 2.96714410237503 + 18.0797101620718 split increased to 2 itime 340415 itsplit 1 - acceleration/energy drift too large 5.25702207459893 - 14.9462353805653 split increased to 2 itime 342842 + acceleration/energy drift too large 4.89200580561368 + 12.4782613433584 split increased to 2 itime 340717 itsplit 1 - acceleration/energy drift too large 4.81853752781595 - 13.2279708156130 split increased to 2 itime 343352 + acceleration/energy drift too large 6.04257981154011 + 17.8783583247033 split increased to 2 itime 342837 itsplit 1 - acceleration/energy drift too large 4.90721937224142 - 18.0509872729966 split increased to 2 itime 344376 + acceleration/energy drift too large 5.62826106164419 + 12.5200900481570 split increased to 2 itime 343711 itsplit 1 - acceleration/energy drift too large 4.29956907624284 - 13.6206596282588 split increased to 2 itime 344549 + acceleration/energy drift too large 5.10306475401487 + 15.4530311069751 split increased to 2 itime 344168 itsplit 1 - acceleration/energy drift too large 4.59395980718048 - 15.2271088999931 split increased to 2 itime 347319 + acceleration/energy drift too large 3.94565809800341 + 12.5619675057818 split increased to 2 itime 344284 itsplit 1 - acceleration/energy drift too large 4.49829120127182 - 10.7879016556309 split increased to 2 itime 347585 + acceleration/energy drift too large 4.15608875696153 + 13.5389651061581 split increased to 2 itime 345458 itsplit 1 - acceleration/energy drift too large 5.09027361759830 - 17.2688982602830 split increased to 2 itime 347785 + acceleration/energy drift too large 2.91810714105702 + 11.2916217265935 split increased to 2 itime 345531 itsplit 1 - acceleration/energy drift too large 5.81214127930400 - 15.0357252103690 split increased to 2 itime 348090 + acceleration/energy drift too large 4.65018698442269 + 14.8375637397349 split increased to 2 itime 346191 itsplit 1 - acceleration/energy drift too large 6.35984527543621 - 14.6647556979808 split increased to 2 itime 349751 + acceleration/energy drift too large 3.28861495752257 + 23.0785264685811 split increased to 2 itime 348769 itsplit 1 Velocities reset to random values, time 69999.80 - acceleration/energy drift too large 3.20640650973093 - 21.7427968954456 split increased to 2 itime 350072 - itsplit 1 - acceleration/energy drift too large 4.17861446840226 - 11.4713828130609 split increased to 2 itime 351623 - itsplit 1 - acceleration/energy drift too large 5.07632496687076 - 12.8716124076284 split increased to 2 itime 351904 - itsplit 1 - acceleration/energy drift too large 3.84251809860451 - 15.5715298186739 split increased to 2 itime 351905 - itsplit 1 - acceleration/energy drift too large 8.16746267846482 - 17.7143654005857 split increased to 2 itime 353491 - itsplit 1 - acceleration/energy drift too large 3.25014945751703 - 23.3309474643091 split increased to 2 itime 357020 + acceleration/energy drift too large 12.9616498873059 + 66.4267814274533 split increased to 2 itime 352358 itsplit 1 - acceleration/energy drift too large 6.29265421622960 - 22.2820726973010 split increased to 2 itime 357760 + acceleration/energy drift too large 6.07400056543139 + 18.7799226327284 split increased to 2 itime 356563 itsplit 1 - acceleration/energy drift too large 4.84481161380533 - 10.2537951212078 split increased to 2 itime 359591 + acceleration/energy drift too large 3.45844607215838 + 16.9349894955048 split increased to 2 itime 359360 itsplit 1 Velocities reset to random values, time 71999.80 - acceleration/energy drift too large 3.14049428558424 - 12.0811186545344 split increased to 2 itime 361700 + acceleration/energy drift too large 5.94407265041726 + 18.6685796854342 split increased to 2 itime 360756 itsplit 1 - acceleration/energy drift too large 9.25753862200608 - 40.0206457308917 split increased to 2 itime 363347 + acceleration/energy drift too large 4.70979344926379 + 11.5727969939442 split increased to 2 itime 360797 itsplit 1 - acceleration/energy drift too large 9.92519474797638 - 49.1126523377728 split increased to 2 itime 365867 + acceleration/energy drift too large 9.64906636289422 + 41.9436076684552 split increased to 2 itime 362960 itsplit 1 - acceleration/energy drift too large 5.95494229693293 - 11.5958881541050 split increased to 2 itime 366058 + acceleration/energy drift too large 4.37678529242110 + 11.6873090123918 split increased to 2 itime 363553 itsplit 1 - acceleration/energy drift too large 6.97969677130265 - 20.6093813276268 split increased to 2 itime 366237 + acceleration/energy drift too large 2.77686498537882 + 16.2459969887775 split increased to 2 itime 364280 itsplit 1 - acceleration/energy drift too large 3.88975474968336 - 12.8035780287080 split increased to 2 itime 367417 + acceleration/energy drift too large 7.82079694629768 + 20.0562560642309 split increased to 2 itime 366028 itsplit 1 - acceleration/energy drift too large 11.8287088890422 - 65.5153000735396 split increased to 2 itime 368013 + acceleration/energy drift too large 6.38154922365337 + 19.2648740453593 split increased to 2 itime 367671 itsplit 1 - acceleration/energy drift too large 2.80986346861997 - 18.3920551207488 split increased to 2 itime 368264 + acceleration/energy drift too large 2.98815639133230 + 18.8168906719715 split increased to 2 itime 368714 itsplit 1 -Velocities reset to random values, time 73999.80 - acceleration/energy drift too large 8.32428366239543 - 26.5810183596208 split increased to 2 itime 370010 - itsplit 1 - acceleration/energy drift too large 8.03702587782433 - 22.5941449358526 split increased to 2 itime 370666 - itsplit 1 - acceleration/energy drift too large 5.85650422961428 - 13.9226944006067 split increased to 2 itime 370766 + acceleration/energy drift too large 3.87520211940088 + 16.3862869932882 split increased to 2 itime 368738 itsplit 1 - acceleration/energy drift too large 5.81465233104809 - 14.6849479953501 split increased to 2 itime 371063 + acceleration/energy drift too large 7.33452635636827 + 22.2992974869247 split increased to 2 itime 369611 itsplit 1 - acceleration/energy drift too large 5.19433116171876 - 12.5372753422716 split increased to 2 itime 371740 +Velocities reset to random values, time 73999.80 + acceleration/energy drift too large 4.23353208436053 + 13.0007702478467 split increased to 2 itime 371854 itsplit 1 - acceleration/energy drift too large 2.18531945680517 - 11.5675363199987 split increased to 2 itime 372048 + acceleration/energy drift too large 12.9107381885432 + 73.9069129695839 split increased to 2 itime 373997 itsplit 1 - acceleration/energy drift too large 9.58383690945660 - 44.4146721972973 split increased to 2 itime 373394 + acceleration/energy drift too large 2.56556741948068 + 12.3639539515507 split increased to 4 itime 373997 itsplit 1 - acceleration/energy drift too large 5.89291980041978 - 21.9624642329448 split increased to 2 itime 374270 + acceleration/energy drift too large 3.80366785571198 + 12.2139021895036 split increased to 2 itime 374953 itsplit 1 - acceleration/energy drift too large 4.07611664224216 - 12.3964594836516 split increased to 2 itime 374767 + acceleration/energy drift too large 3.19929708427991 + 19.4881951369311 split increased to 2 itime 376436 itsplit 1 - acceleration/energy drift too large 8.67119610775591 - 37.8243828410061 split increased to 2 itime 374822 + acceleration/energy drift too large 6.81607910776819 + 25.2599476544377 split increased to 2 itime 377164 itsplit 1 - acceleration/energy drift too large 10.1042615211255 - 45.2099324594044 split increased to 2 itime 375303 + acceleration/energy drift too large 8.10144085502464 + 30.0271609870526 split increased to 2 itime 379412 itsplit 1 Velocities reset to random values, time 75999.80 - acceleration/energy drift too large 5.00467078902445 - 15.0252961085287 split increased to 2 itime 380208 - itsplit 1 - acceleration/energy drift too large 7.02507602571786 - 14.4408574409482 split increased to 2 itime 380698 - itsplit 1 - acceleration/energy drift too large 4.05656269074341 - 15.3434666358559 split increased to 2 itime 382297 + acceleration/energy drift too large 6.32978937783952 + 15.4512994858330 split increased to 2 itime 383375 itsplit 1 - acceleration/energy drift too large 5.84661008795145 - 11.4152787697294 split increased to 2 itime 382543 - itsplit 1 - acceleration/energy drift too large 5.97899538112336 - 12.9880550602018 split increased to 2 itime 383765 - itsplit 1 - acceleration/energy drift too large 7.94013357462852 - 36.2018773971367 split increased to 2 itime 384277 - itsplit 1 - acceleration/energy drift too large 2.63287703951721 - 17.7044754381835 split increased to 2 itime 385445 - itsplit 1 - acceleration/energy drift too large 5.25071730358504 - 11.4562440229396 split increased to 2 itime 386351 - itsplit 1 - acceleration/energy drift too large 5.58392448493530 - 13.4420032048153 split increased to 2 itime 386660 - itsplit 1 - acceleration/energy drift too large 5.70165427021771 - 16.5640989143913 split increased to 2 itime 386974 - itsplit 1 - acceleration/energy drift too large 5.77851075761855 - 15.2316141027637 split increased to 2 itime 387428 - itsplit 1 - acceleration/energy drift too large 5.97309835121525 - 12.7949166078939 split increased to 2 itime 388103 + acceleration/energy drift too large 3.08494460271988 + 19.1132284606523 split increased to 2 itime 383623 itsplit 1 Velocities reset to random values, time 77999.80 - acceleration/energy drift too large 3.72257984986201 - 26.6050111101666 split increased to 2 itime 390887 + acceleration/energy drift too large 3.53196403810627 + 26.9094464923746 split increased to 2 itime 391200 itsplit 1 - acceleration/energy drift too large 2.47149022914947 - 12.4257618123714 split increased to 2 itime 391320 + acceleration/energy drift too large 5.81718668468991 + 13.0330358004952 split increased to 2 itime 392321 itsplit 1 - acceleration/energy drift too large 11.3644469462140 - 56.7133348076318 split increased to 2 itime 391679 + acceleration/energy drift too large 7.25426995272764 + 19.8179378851695 split increased to 2 itime 394326 itsplit 1 - acceleration/energy drift too large 7.80616972907130 - 30.1070582806655 split increased to 2 itime 392046 + acceleration/energy drift too large 5.68010372457845 + 19.3336631199910 split increased to 2 itime 395184 itsplit 1 - acceleration/energy drift too large 4.63388103866988 - 13.5517810416969 split increased to 2 itime 393165 + acceleration/energy drift too large 7.44491788150884 + 18.0916627175266 split increased to 2 itime 395697 itsplit 1 - acceleration/energy drift too large 3.03605475067617 - 11.6173461656846 split increased to 2 itime 395442 + acceleration/energy drift too large 5.02901589418160 + 15.2021112595187 split increased to 2 itime 396477 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= 132.390625000000 0.000000000000000E+000 - REMD writing rst time= 0.000000000000000E+000 - REMD writing traj time= 3.906250000000000E-003 + REMD gather times= 166.960937500000 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 4 -ACC 2 260.00000 0.50000 4 -ACC 3 270.00000 0.25000 4 +ACC 1 250.00000 0.75000 4 +ACC 2 260.00000 0.00000 4 +ACC 3 270.00000 0.75000 4 ACC 4 280.00000 0.25000 4 -ACC 5 290.00000 0.50000 4 -ACC 6 300.00000 0.50000 4 -ACC 7 310.00000 0.75000 4 -ACC 8 320.00000 0.25000 4 +ACC 5 290.00000 0.25000 4 +ACC 6 300.00000 0.75000 4 +ACC 7 310.00000 0.50000 4 +ACC 8 320.00000 0.75000 4 ACC 9 330.00000 0.25000 4 -ACC 10 340.00000 0.50000 4 -ACC 11 350.00000 0.75000 4 +ACC 10 340.00000 0.75000 4 +ACC 11 350.00000 1.00000 4 ACC 12 360.00000 1.00000 4 ACC 13 370.00000 0.75000 4 -ACC 14 380.00000 0.50000 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 2.75697939825263 - 13.0524836466187 split increased to 2 itime 400008 + acceleration/energy drift too large 2.59780856560672 + 11.0817550876666 split increased to 2 itime 400004 + itsplit 1 + acceleration/energy drift too large 2.44559029483404 + 10.9124147043117 split increased to 2 itime 400085 itsplit 1 - acceleration/energy drift too large 2.89357016363284 - 13.3173643112923 split increased to 2 itime 400017 + acceleration/energy drift too large 5.68818357288487 + 20.5361782478856 split increased to 2 itime 400400 itsplit 1 - acceleration/energy drift too large 4.33082211225894 - 10.0553610413658 split increased to 2 itime 400029 + acceleration/energy drift too large 5.05734016575414 + 13.6295437219163 split increased to 2 itime 401309 itsplit 1 - acceleration/energy drift too large 1.80786753336865 - 10.8882956791615 split increased to 2 itime 402328 + acceleration/energy drift too large 1.86254780196559 + 10.7681277520174 split increased to 2 itime 401310 itsplit 1 - acceleration/energy drift too large 5.72060587527450 - 34.0840405210860 split increased to 2 itime 403164 + acceleration/energy drift too large 5.77747979903795 + 36.0645897333760 split increased to 2 itime 402402 itsplit 1 - acceleration/energy drift too large 2.71590566625076 - 12.0771425975181 split increased to 2 itime 405211 + acceleration/energy drift too large 4.00144038270504 + 13.8135429047821 split increased to 2 itime 402737 itsplit 1 - acceleration/energy drift too large 3.41404958625739 - 26.4746732757785 split increased to 2 itime 405934 + acceleration/energy drift too large 4.29866175957193 + 10.0976949757903 split increased to 2 itime 404479 itsplit 1 - acceleration/energy drift too large 2.66318543473227 - 18.1055285762532 split increased to 2 itime 406535 + acceleration/energy drift too large 6.41008463083451 + 13.7772260179748 split increased to 2 itime 405234 + itsplit 1 + acceleration/energy drift too large 3.65977818250669 + 21.5112992670215 split increased to 2 itime 407060 + itsplit 1 + acceleration/energy drift too large 2.90222860612122 + 17.7471796738947 split increased to 2 itime 407456 + itsplit 1 + acceleration/energy drift too large 1.98624372560750 + 11.0656152878900 split increased to 2 itime 407903 + itsplit 1 + acceleration/energy drift too large 5.58524217331859 + 20.8399337375896 split increased to 2 itime 408143 + itsplit 1 + acceleration/energy drift too large 12.5080707399777 + 81.2621738576996 split increased to 2 itime 408663 + itsplit 1 + acceleration/energy drift too large 4.30164184470336 + 13.6203251228429 split increased to 2 itime 408809 + itsplit 1 + acceleration/energy drift too large 5.34980338712054 + 12.4850829533231 split increased to 2 itime 408939 + itsplit 1 + acceleration/energy drift too large 5.31131125255454 + 26.6891083725577 split increased to 2 itime 409617 itsplit 1 Velocities reset to random values, time 81999.80 - acceleration/energy drift too large 5.42066879496154 - 14.6179776587684 split increased to 2 itime 411463 + acceleration/energy drift too large 6.60630620182258 + 10.4878867662942 split increased to 2 itime 411464 + itsplit 1 + acceleration/energy drift too large 5.45184442941929 + 12.1836684769349 split increased to 2 itime 411500 + itsplit 1 + acceleration/energy drift too large 4.49802478305205 + 16.6749389559801 split increased to 2 itime 412452 + itsplit 1 + acceleration/energy drift too large 2.38876176430168 + 16.6560142798763 split increased to 2 itime 414243 + itsplit 1 + acceleration/energy drift too large 7.04529849219812 + 16.3261240936741 split increased to 2 itime 414244 itsplit 1 - acceleration/energy drift too large 6.64526887041216 - 33.5310545803773 split increased to 2 itime 414316 + acceleration/energy drift too large 8.08863020950185 + 16.5372075140584 split increased to 2 itime 414772 itsplit 1 - acceleration/energy drift too large 7.24523352115810 - 18.6621093215062 split increased to 2 itime 415810 + acceleration/energy drift too large 2.42346890137440 + 10.9395480461588 split increased to 2 itime 416362 itsplit 1 - acceleration/energy drift too large 4.24389658501114 - 13.5738446116493 split increased to 2 itime 418335 + acceleration/energy drift too large 5.61471500099901 + 16.4366665797215 split increased to 2 itime 417905 itsplit 1 - acceleration/energy drift too large 4.64528256455843 - 13.3072502401385 split increased to 2 itime 418345 + acceleration/energy drift too large 5.79486989965426 + 14.4840979963871 split increased to 2 itime 418040 itsplit 1 - acceleration/energy drift too large 4.53070996475438 - 13.7081148080877 split increased to 2 itime 419351 + acceleration/energy drift too large 3.72297878246984 + 11.6413738687437 split increased to 2 itime 419003 itsplit 1 Velocities reset to random values, time 83999.80 - acceleration/energy drift too large 2.86219547096365 - 18.6669122783441 split increased to 2 itime 426021 + acceleration/energy drift too large 2.92602109555918 + 10.8500017082320 split increased to 2 itime 420079 itsplit 1 - acceleration/energy drift too large 3.52221595050385 - 11.8435671942682 split increased to 2 itime 428039 + acceleration/energy drift too large 3.03114352899790 + 12.2362804405950 split increased to 2 itime 420081 itsplit 1 - acceleration/energy drift too large 3.38014369306687 - 13.1618089067319 split increased to 2 itime 428213 + acceleration/energy drift too large 2.35295543370644 + 11.3124450907815 split increased to 2 itime 420151 itsplit 1 - acceleration/energy drift too large 5.41074985016532 - 15.2053101768752 split increased to 2 itime 429484 + acceleration/energy drift too large 3.50348613860968 + 10.5467273708566 split increased to 2 itime 420175 itsplit 1 -Velocities reset to random values, time 85999.80 - acceleration/energy drift too large 4.56683486423202 - 14.1975788818081 split increased to 2 itime 430338 + acceleration/energy drift too large 2.82432865426328 + 10.3113332225141 split increased to 2 itime 420192 + itsplit 1 + acceleration/energy drift too large 2.70656074693697 + 10.0456760209242 split increased to 2 itime 421552 itsplit 1 - acceleration/energy drift too large 4.87635307013063 - 15.1499964637103 split increased to 2 itime 431278 + acceleration/energy drift too large 2.46788759077814 + 10.1116659626759 split increased to 2 itime 421658 itsplit 1 - acceleration/energy drift too large 3.61197232309290 - 16.5575807318585 split increased to 2 itime 431279 + acceleration/energy drift too large 3.67050297705873 + 10.0962372187293 split increased to 2 itime 426084 itsplit 1 - acceleration/energy drift too large 3.13481386839482 - 11.6301948037740 split increased to 2 itime 431302 + acceleration/energy drift too large 3.97684964995184 + 10.7591533487442 split increased to 2 itime 426299 itsplit 1 - acceleration/energy drift too large 6.25507758224206 - 21.3039098986555 split increased to 2 itime 432048 + acceleration/energy drift too large 9.25427866291566 + 38.2844338203228 split increased to 2 itime 426426 itsplit 1 - acceleration/energy drift too large 5.88453268695230 - 11.0058402101515 split increased to 2 itime 433124 + acceleration/energy drift too large 2.68429290102680 + 10.5141228444183 split increased to 2 itime 429256 itsplit 1 - acceleration/energy drift too large 4.09316484627603 - 12.3446425071448 split increased to 2 itime 433243 + acceleration/energy drift too large 5.47483933213597 + 25.5454150764071 split increased to 2 itime 429395 + itsplit 1 +Velocities reset to random values, time 85999.80 + acceleration/energy drift too large 5.85310064119882 + 16.4669841887824 split increased to 2 itime 431219 itsplit 1 - acceleration/energy drift too large 8.94479783879583 - 43.7364742727631 split increased to 2 itime 433446 + acceleration/energy drift too large 6.61629535889058 + 14.6407177296350 split increased to 2 itime 431325 itsplit 1 - acceleration/energy drift too large 1.51748158213859 - 15.4390586947897 split increased to 2 itime 435232 + acceleration/energy drift too large 4.22037690861979 + 11.0314101364106 split increased to 2 itime 432636 itsplit 1 - acceleration/energy drift too large 3.68150108948370 - 12.2568588034853 split increased to 2 itime 435566 + acceleration/energy drift too large 6.30258627430140 + 16.7454931917144 split increased to 2 itime 437710 itsplit 1 - acceleration/energy drift too large 7.06748032045658 - 14.7600769311824 split increased to 2 itime 435780 + acceleration/energy drift too large 4.93028585222448 + 10.1146828248222 split increased to 2 itime 438488 itsplit 1 Velocities reset to random values, time 87999.80 - acceleration/energy drift too large 9.16262310792741 - 36.3615630368509 split increased to 2 itime 441298 + acceleration/energy drift too large 5.70381729639942 + 18.3306074432939 split increased to 2 itime 440031 itsplit 1 - acceleration/energy drift too large 5.48606719619940 - 15.0596724466757 split increased to 2 itime 444295 + acceleration/energy drift too large 1.73304160727283 + 15.2623764747987 split increased to 2 itime 440032 itsplit 1 - acceleration/energy drift too large 4.84015990817813 - 17.5406948404413 split increased to 2 itime 444730 + acceleration/energy drift too large 4.56485756154144 + 10.3226744059756 split increased to 2 itime 441403 itsplit 1 - acceleration/energy drift too large 4.22207982611081 - 10.2829229240336 split increased to 2 itime 444871 + acceleration/energy drift too large 8.34392273423473 + 37.6529947252206 split increased to 2 itime 441652 itsplit 1 - acceleration/energy drift too large 6.15694219249526 - 15.7124984416523 split increased to 2 itime 446294 + acceleration/energy drift too large 14.5377310527035 + 93.8365599058750 split increased to 2 itime 441798 itsplit 1 - acceleration/energy drift too large 5.62988281177030 - 16.1481783408536 split increased to 2 itime 448990 + acceleration/energy drift too large 4.80006721709591 + 12.1840925755445 split increased to 2 itime 441908 itsplit 1 - acceleration/energy drift too large 7.79664115997697 - 24.9403719714308 split increased to 2 itime 449765 + acceleration/energy drift too large 4.26879957960456 + 15.0542603059793 split increased to 2 itime 442136 itsplit 1 - acceleration/energy drift too large 6.17724785314965 - 15.8493424008508 split increased to 2 itime 449956 + acceleration/energy drift too large 5.81606763576605 + 11.3205012944265 split increased to 2 itime 442787 itsplit 1 -Velocities reset to random values, time 89999.80 - acceleration/energy drift too large 2.51973282248349 - 18.6629092977027 split increased to 2 itime 450091 + acceleration/energy drift too large 6.68458225828296 + 16.0269377752747 split increased to 2 itime 443702 + itsplit 1 + acceleration/energy drift too large 1.08876571849410 + 11.3106978689261 split increased to 2 itime 444787 itsplit 1 - acceleration/energy drift too large 5.17258955581520 - 10.8249572405025 split increased to 2 itime 452354 + acceleration/energy drift too large 4.60158225588970 + 12.8753355128081 split increased to 2 itime 445191 itsplit 1 - acceleration/energy drift too large 6.17155120096355 - 17.5612584281085 split increased to 2 itime 455739 + acceleration/energy drift too large 5.71284368271182 + 13.0441493668053 split increased to 2 itime 446498 itsplit 1 - acceleration/energy drift too large 4.97555856384882 - 10.8756163571003 split increased to 2 itime 455856 + acceleration/energy drift too large 4.08975449515228 + 11.1980395520096 split increased to 2 itime 448765 itsplit 1 - acceleration/energy drift too large 9.81698157693734 - 54.0984981508740 split increased to 2 itime 456054 +Velocities reset to random values, time 89999.80 + acceleration/energy drift too large 5.51806760767473 + 10.0389181763390 split increased to 2 itime 451444 itsplit 1 - acceleration/energy drift too large 2.92756035544891 - 11.9047454280408 split increased to 2 itime 456055 + acceleration/energy drift too large 4.89601834431224 + 15.3498037181972 split increased to 2 itime 451972 itsplit 1 - acceleration/energy drift too large 6.71812587682566 - 20.3870095465312 split increased to 2 itime 458064 + acceleration/energy drift too large 6.23720488219205 + 17.1851054054325 split increased to 2 itime 452084 itsplit 1 - acceleration/energy drift too large 3.31250637627925 - 10.6271393533066 split increased to 2 itime 458740 + acceleration/energy drift too large 4.58932054602775 + 18.7977500343322 split increased to 2 itime 452929 itsplit 1 - acceleration/energy drift too large 3.83456281697244 - 17.2299491750104 split increased to 2 itime 458748 + acceleration/energy drift too large 5.56237123733507 + 12.7913744548320 split increased to 2 itime 453216 itsplit 1 - acceleration/energy drift too large 9.32002881073488 - 30.6291052033207 split increased to 2 itime 459018 + acceleration/energy drift too large 3.58279615868732 + 15.2959406203168 split increased to 2 itime 453219 itsplit 1 - acceleration/energy drift too large 11.4376150411343 - 58.0989945499016 split increased to 2 itime 459119 + acceleration/energy drift too large 11.1213772478023 + 46.3841950544220 split increased to 2 itime 453872 itsplit 1 - acceleration/energy drift too large 5.21875602337595 - 12.9734880434853 split increased to 2 itime 459189 + acceleration/energy drift too large 4.13851622806596 + 10.6780468380809 split increased to 2 itime 454381 itsplit 1 - acceleration/energy drift too large 2.58671095366563 - 10.3744288034681 split increased to 2 itime 459995 + acceleration/energy drift too large 3.74630404792018 + 10.6581469173462 split increased to 2 itime 454481 + itsplit 1 + acceleration/energy drift too large 4.82383104561475 + 17.6019974643713 split increased to 2 itime 459150 + itsplit 1 + acceleration/energy drift too large 3.45230359857573 + 23.0707364820223 split increased to 2 itime 459423 itsplit 1 Velocities reset to random values, time 91999.80 - acceleration/energy drift too large 5.80887098126916 - 15.1779201770570 split increased to 2 itime 460693 + acceleration/energy drift too large 7.55651341940125 + 14.3161472057622 split increased to 2 itime 461291 itsplit 1 - acceleration/energy drift too large 6.93012244730581 - 19.2207599785220 split increased to 2 itime 464138 + acceleration/energy drift too large 2.84539568842633 + 10.0410781864573 split increased to 2 itime 461328 itsplit 1 - acceleration/energy drift too large 3.52244928863298 - 14.1818363426985 split increased to 2 itime 464978 + acceleration/energy drift too large 5.09560757168631 + 24.7295693849353 split increased to 2 itime 461748 itsplit 1 - acceleration/energy drift too large 7.90067619008309 - 22.9679313149680 split increased to 2 itime 465161 + acceleration/energy drift too large 8.88064083784093 + 30.2571500008540 split increased to 2 itime 464140 itsplit 1 - acceleration/energy drift too large 3.98877655178798 - 10.7314055203689 split increased to 2 itime 465163 + acceleration/energy drift too large 13.0478806998572 + 65.6988585618023 split increased to 2 itime 464242 itsplit 1 - acceleration/energy drift too large 7.99277574664488 - 33.8597434713727 split increased to 2 itime 467110 + acceleration/energy drift too large 5.73682788280344 + 14.3504756669256 split increased to 2 itime 464954 itsplit 1 - acceleration/energy drift too large 3.28759314972751 - 20.3166513959201 split increased to 4 itime 467110 + acceleration/energy drift too large 7.06956444842371 + 30.1039942405940 split increased to 2 itime 467521 itsplit 1 - acceleration/energy drift too large 2.83147002296540 - 17.1112967860577 split increased to 2 itime 468234 + acceleration/energy drift too large 3.66467429207180 + 10.9559110978075 split increased to 2 itime 469986 itsplit 1 Velocities reset to random values, time 93999.80 - acceleration/energy drift too large 6.12799161149901 - 16.2817540422263 split increased to 2 itime 472933 + acceleration/energy drift too large 3.19800585602260 + 21.7405857986595 split increased to 2 itime 470659 + itsplit 1 + acceleration/energy drift too large 8.85430114988912 + 23.2552825825834 split increased to 2 itime 472016 + itsplit 1 + acceleration/energy drift too large 2.35868460260603 + 15.3591816065782 split increased to 2 itime 472868 + itsplit 1 + acceleration/energy drift too large 6.00277478241406 + 13.0879192096663 split increased to 2 itime 473029 + itsplit 1 + acceleration/energy drift too large 6.03556984952876 + 14.4925823131893 split increased to 2 itime 474235 itsplit 1 - acceleration/energy drift too large 3.71309457667795 - 10.4316240849017 split increased to 2 itime 473065 + acceleration/energy drift too large 8.03857879222263 + 31.3892393963778 split increased to 2 itime 475769 itsplit 1 - acceleration/energy drift too large 5.24285519302931 - 16.3641749187833 split increased to 2 itime 474839 + acceleration/energy drift too large 2.68094275793852 + 14.4922156138871 split increased to 2 itime 476470 itsplit 1 - acceleration/energy drift too large 5.95609183667461 - 12.2524693159952 split increased to 2 itime 475730 + acceleration/energy drift too large 1.64801565014529 + 10.9824660838088 split increased to 2 itime 477499 itsplit 1 - acceleration/energy drift too large 2.17620029731013 - 12.0321030203820 split increased to 2 itime 477373 + acceleration/energy drift too large 3.01622375647000 + 17.5365461156522 split increased to 2 itime 477839 itsplit 1 - acceleration/energy drift too large 3.55238581621939 - 10.5782306966555 split increased to 2 itime 477480 + acceleration/energy drift too large 5.67247664914790 + 17.1511889192023 split increased to 2 itime 478453 itsplit 1 - acceleration/energy drift too large 5.16717635938183 - 11.9111496167451 split increased to 2 itime 478444 + acceleration/energy drift too large 4.12416409244210 + 25.2642031131087 split increased to 2 itime 478670 + itsplit 1 + acceleration/energy drift too large 2.81395930873809 + 17.9298693833074 split increased to 2 itime 479589 itsplit 1 Velocities reset to random values, time 95999.80 - acceleration/energy drift too large 3.39405989427430 - 20.7373834516555 split increased to 2 itime 481693 + acceleration/energy drift too large 9.71006888965418 + 43.5334053650288 split increased to 2 itime 482223 itsplit 1 - acceleration/energy drift too large 3.66742479336726 - 10.7717299981624 split increased to 2 itime 486844 + acceleration/energy drift too large 2.35740672815709 + 12.0451634727567 split increased to 4 itime 482223 itsplit 1 - acceleration/energy drift too large 10.2748470232557 - 50.8668993420202 split increased to 2 itime 487283 + acceleration/energy drift too large 5.74927957329776 + 12.6579481794377 split increased to 2 itime 484638 itsplit 1 -Velocities reset to random values, time 97999.80 - acceleration/energy drift too large 2.97048002254075 - 22.7967975465820 split increased to 2 itime 492576 + acceleration/energy drift too large 9.78118034494031 + 28.2828310451464 split increased to 2 itime 484728 + itsplit 1 + acceleration/energy drift too large 9.68267321371970 + 42.3593847883843 split increased to 2 itime 485494 + itsplit 1 + acceleration/energy drift too large 4.42579350401370 + 10.2725395270998 split increased to 2 itime 485716 + itsplit 1 + acceleration/energy drift too large 3.18339360769986 + 10.8570910218073 split increased to 2 itime 485728 + itsplit 1 + acceleration/energy drift too large 6.44442385760056 + 18.6106258336047 split increased to 2 itime 486176 itsplit 1 - acceleration/energy drift too large 8.25480757431339 - 35.4437273983083 split increased to 2 itime 493127 + acceleration/energy drift too large 6.51892020255872 + 32.4813134923197 split increased to 2 itime 486369 itsplit 1 - acceleration/energy drift too large 4.81055367287405 - 14.8398315662633 split increased to 2 itime 494191 + acceleration/energy drift too large 4.22000676048773 + 13.6083323510623 split increased to 2 itime 488965 itsplit 1 - acceleration/energy drift too large 4.72297582815352 - 15.8369394411336 split increased to 2 itime 494498 +Velocities reset to random values, time 97999.80 + acceleration/energy drift too large 11.3922384870131 + 56.5788223971007 split increased to 2 itime 492841 + itsplit 1 + acceleration/energy drift too large 8.92256670559727 + 22.8244283306071 split increased to 2 itime 494693 + itsplit 1 + acceleration/energy drift too large 2.39202541132213 + 12.9894383674737 split increased to 2 itime 495760 itsplit 1 - acceleration/energy drift too large 8.10446199524925 - 31.1178472343974 split increased to 2 itime 497107 + acceleration/energy drift too large 7.61856327644377 + 24.5816129369387 split increased to 2 itime 496465 itsplit 1 - acceleration/energy drift too large 0.267636046674551 - 26.2013300295420 split increased to 2 itime 497108 + acceleration/energy drift too large 6.63742434934600 + 18.8972686128190 split increased to 2 itime 497485 itsplit 1 - acceleration/energy drift too large 6.80240558278473 - 19.5634041066986 split increased to 2 itime 497769 + acceleration/energy drift too large 4.91149919597901 + 12.6508427238783 split increased to 2 itime 498339 itsplit 1 - acceleration/energy drift too large 11.0623185988515 - 45.3833127988240 split increased to 2 itime 499422 + acceleration/energy drift too large 8.14744608405261 + 15.1582373108203 split increased to 2 itime 498340 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= 165.031250000000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD gather times= 208.019531250000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.00000 5 -ACC 2 260.00000 0.40000 5 -ACC 3 270.00000 0.20000 5 -ACC 4 280.00000 0.20000 5 -ACC 5 290.00000 0.40000 5 +ACC 1 250.00000 0.60000 5 +ACC 2 260.00000 0.20000 5 +ACC 3 270.00000 0.60000 5 +ACC 4 280.00000 0.40000 5 +ACC 5 290.00000 0.20000 5 ACC 6 300.00000 0.60000 5 -ACC 7 310.00000 0.80000 5 -ACC 8 320.00000 0.40000 5 -ACC 9 330.00000 0.40000 5 -ACC 10 340.00000 0.40000 5 -ACC 11 350.00000 0.80000 5 +ACC 7 310.00000 0.60000 5 +ACC 8 320.00000 0.80000 5 +ACC 9 330.00000 0.20000 5 +ACC 10 340.00000 0.80000 5 +ACC 11 350.00000 1.00000 5 ACC 12 360.00000 1.00000 5 ACC 13 370.00000 0.80000 5 -ACC 14 380.00000 0.60000 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 3.77566641447683 - 10.7238075148474 split increased to 2 itime 500091 + acceleration/energy drift too large 2.29854593647179 + 15.8073991672753 split increased to 2 itime 502036 + itsplit 1 + acceleration/energy drift too large 2.68244123688550 + 14.3841304167236 split increased to 2 itime 505566 itsplit 1 - acceleration/energy drift too large 1.81605423239288 - 12.0670870128893 split increased to 2 itime 502176 + acceleration/energy drift too large 4.65532954366415 + 14.4118693418659 split increased to 2 itime 506140 itsplit 1 - acceleration/energy drift too large 6.25484500145608 - 12.8422748295443 split increased to 2 itime 504594 + acceleration/energy drift too large 4.61616847401486 + 16.0163330007229 split increased to 2 itime 506641 itsplit 1 - acceleration/energy drift too large 9.66695152602009 - 32.7243279335402 split increased to 2 itime 505585 + acceleration/energy drift too large 4.44252398805343 + 26.3863252590741 split increased to 2 itime 506748 itsplit 1 - acceleration/energy drift too large 2.73240742849934 - 15.0084886123738 split increased to 2 itime 505955 + acceleration/energy drift too large 13.9011689252740 + 91.4367517490967 split increased to 2 itime 507465 itsplit 1 - acceleration/energy drift too large 7.67899725889505 - 15.5361523432190 split increased to 2 itime 506874 + acceleration/energy drift too large 5.13146849765083 + 18.2873924962788 split increased to 2 itime 508916 itsplit 1 - acceleration/energy drift too large 9.18387690566259 - 38.2347719377930 split increased to 2 itime 507634 + acceleration/energy drift too large 4.95627043395891 + 18.0115126956180 split increased to 2 itime 509723 itsplit 1 Velocities reset to random values, time 101999.80 - acceleration/energy drift too large 6.48238352576090 - 11.8491601723731 split increased to 2 itime 510396 + acceleration/energy drift too large 3.84433703809153 + 22.5672088375248 split increased to 2 itime 510507 itsplit 1 - acceleration/energy drift too large 7.71170690764651 - 25.5151817583333 split increased to 2 itime 511147 + acceleration/energy drift too large 6.53086514334016 + 18.2161751623721 split increased to 2 itime 511824 itsplit 1 - acceleration/energy drift too large 2.85291054789190 - 10.9258433276666 split increased to 2 itime 511476 + acceleration/energy drift too large 7.48775850056174 + 13.2996337620537 split increased to 2 itime 511999 itsplit 1 - acceleration/energy drift too large 2.50824810910345 - 10.8047902925353 split increased to 2 itime 511512 + acceleration/energy drift too large 4.83672405247937 + 12.3172285924762 split increased to 2 itime 512064 itsplit 1 - acceleration/energy drift too large 1.73245132085787 - 12.4227506203437 split increased to 2 itime 511517 + acceleration/energy drift too large 2.01039213881941 + 10.5616899804902 split increased to 2 itime 513320 itsplit 1 - acceleration/energy drift too large 4.32423962453880 - 12.9962603609304 split increased to 2 itime 511521 + acceleration/energy drift too large 5.69768130593826 + 11.7203499283889 split increased to 2 itime 513345 itsplit 1 - acceleration/energy drift too large 5.86745866602790 - 12.9483551982089 split increased to 2 itime 512500 + acceleration/energy drift too large 10.4388962180242 + 17.0499232887529 split increased to 2 itime 515387 itsplit 1 - acceleration/energy drift too large 3.55908775959214 - 17.7860397930287 split increased to 2 itime 512580 + acceleration/energy drift too large 2.00605906306598 + 11.2345656324404 split increased to 2 itime 518083 itsplit 1 - acceleration/energy drift too large 3.84386224883543 - 12.2154681814165 split increased to 2 itime 513588 + acceleration/energy drift too large 5.22358263004173 + 10.3120136805115 split increased to 2 itime 518914 itsplit 1 - acceleration/energy drift too large 4.74674639151494 - 15.1042521044617 split increased to 2 itime 516325 + acceleration/energy drift too large 7.04738263776422 + 25.8308135932592 split increased to 2 itime 519452 itsplit 1 - acceleration/energy drift too large 9.29483728837896 - 36.4169691840827 split increased to 2 itime 519509 + acceleration/energy drift too large 6.19172046198573 + 18.5340625898011 split increased to 2 itime 519610 itsplit 1 Velocities reset to random values, time 103999.80 - acceleration/energy drift too large 1.94614021952267 - 12.9233332492159 split increased to 2 itime 522358 + acceleration/energy drift too large 9.15583984836490 + 40.7986540351518 split increased to 2 itime 520138 + itsplit 1 + acceleration/energy drift too large 6.11449440120927 + 21.9391804943868 split increased to 2 itime 520740 + itsplit 1 + acceleration/energy drift too large 6.63329310400782 + 10.7404114349471 split increased to 2 itime 522426 + itsplit 1 + acceleration/energy drift too large 4.54392573270688 + 20.3173990323092 split increased to 2 itime 522875 + itsplit 1 + acceleration/energy drift too large 4.32796781107870 + 12.5181272050320 split increased to 2 itime 523912 + itsplit 1 + acceleration/energy drift too large 2.86690969790619 + 17.3250199877835 split increased to 2 itime 524531 + itsplit 1 + acceleration/energy drift too large 2.66042351249967 + 17.4602906145521 split increased to 2 itime 524635 + itsplit 1 + acceleration/energy drift too large 3.03376260683306 + 12.1273042308087 split increased to 2 itime 524866 + itsplit 1 + acceleration/energy drift too large 15.5665566425656 + 92.1298350872707 split increased to 2 itime 525065 + itsplit 1 + acceleration/energy drift too large 3.80566670085703 + 22.6288017754922 split increased to 4 itime 525065 + itsplit 2 + acceleration/energy drift too large 3.21188065043649 + 24.1923887637083 split increased to 2 itime 525241 + itsplit 1 + acceleration/energy drift too large 5.33488332081674 + 23.3004088071154 split increased to 2 itime 525341 itsplit 1 - acceleration/energy drift too large 4.05742519130383 - 10.5663702048734 split increased to 2 itime 523656 + acceleration/energy drift too large 7.76754853743968 + 16.6916320522963 split increased to 2 itime 525908 itsplit 1 - acceleration/energy drift too large 7.05909853984071 - 21.2796849384083 split increased to 2 itime 523712 + acceleration/energy drift too large 3.51661705443787 + 15.3784899372868 split increased to 2 itime 526521 itsplit 1 - acceleration/energy drift too large 7.49638285606095 - 12.2699024435589 split increased to 2 itime 527691 + acceleration/energy drift too large 2.73003779070210 + 13.3923824299512 split increased to 2 itime 526523 itsplit 1 - acceleration/energy drift too large 13.3057779154270 - 99.8031404983743 split increased to 2 itime 528923 + acceleration/energy drift too large 6.12758198296207 + 10.0770873123538 split increased to 2 itime 526549 + itsplit 1 + acceleration/energy drift too large 5.83522560849220 + 17.7403573889444 split increased to 2 itime 527116 + itsplit 1 + acceleration/energy drift too large 2.21808198084933 + 12.4536597915259 split increased to 2 itime 527830 + itsplit 1 + acceleration/energy drift too large 3.54022489694818 + 19.2599963082361 split increased to 2 itime 527909 + itsplit 1 + acceleration/energy drift too large 4.06285054297691 + 19.1489856324852 split increased to 2 itime 528239 + itsplit 1 + acceleration/energy drift too large 2.85156090899884 + 10.6591170184129 split increased to 2 itime 528276 + itsplit 1 + acceleration/energy drift too large 13.3122186917888 + 58.2408829202785 split increased to 2 itime 528541 + itsplit 1 + acceleration/energy drift too large 7.79023291509361 + 31.1485033964163 split increased to 2 itime 529199 itsplit 1 Velocities reset to random values, time 105999.80 - acceleration/energy drift too large 7.12573580680934 - 16.4668084821503 split increased to 2 itime 533280 + acceleration/energy drift too large 6.59343638359191 + 16.0513201315544 split increased to 2 itime 530268 + itsplit 1 + acceleration/energy drift too large 8.85202539207420 + 44.5376898943888 split increased to 2 itime 530291 + itsplit 1 + acceleration/energy drift too large 4.81385816112243 + 10.6340948695958 split increased to 2 itime 530811 + itsplit 1 + acceleration/energy drift too large 9.06408743292701 + 25.8810638485329 split increased to 2 itime 532658 + itsplit 1 + acceleration/energy drift too large 5.02182857275473 + 13.2090626658142 split increased to 2 itime 534174 + itsplit 1 + acceleration/energy drift too large 5.25592004135374 + 14.6332175954952 split increased to 2 itime 534685 itsplit 1 - acceleration/energy drift too large 2.97459302962058 - 19.0973797061808 split increased to 2 itime 533323 + acceleration/energy drift too large 5.94402458606601 + 15.8103851457932 split increased to 2 itime 534892 itsplit 1 - acceleration/energy drift too large 8.93166103554391 - 35.5212562729418 split increased to 2 itime 535919 + acceleration/energy drift too large 6.48915610908048 + 20.0008050779865 split increased to 2 itime 536365 itsplit 1 - acceleration/energy drift too large 6.07686697738167 - 20.1696957626017 split increased to 2 itime 536503 + acceleration/energy drift too large 4.30127268318257 + 12.1895806718313 split increased to 2 itime 537042 itsplit 1 - acceleration/energy drift too large 4.71818885273344 - 13.1572235188515 split increased to 2 itime 538149 + acceleration/energy drift too large 5.48928458328062 + 36.5066510782668 split increased to 2 itime 537205 + itsplit 1 + acceleration/energy drift too large 2.91571466978629 + 13.4079047611202 split increased to 2 itime 537533 + itsplit 1 + acceleration/energy drift too large 5.39977600716001 + 15.2279870706319 split increased to 2 itime 537539 + itsplit 1 + acceleration/energy drift too large 2.79465510892675 + 16.6651450561997 split increased to 2 itime 537798 + itsplit 1 + acceleration/energy drift too large 2.79938696306419 + 21.4801998874201 split increased to 2 itime 538120 + itsplit 1 + acceleration/energy drift too large 3.75652088495072 + 21.9522487755563 split increased to 2 itime 539655 itsplit 1 Velocities reset to random values, time 107999.80 - acceleration/energy drift too large 3.75630996287576 - 10.1256079986975 split increased to 2 itime 541791 + acceleration/energy drift too large 4.69218036690820 + 25.9261383152055 split increased to 2 itime 540378 + itsplit 1 + acceleration/energy drift too large 3.27370905349800 + 14.7554083915639 split increased to 2 itime 540379 + itsplit 1 + acceleration/energy drift too large 2.87479692619505 + 10.3031639317353 split increased to 2 itime 540693 itsplit 1 - acceleration/energy drift too large 4.16168183887330 - 10.4379141782681 split increased to 2 itime 541967 + acceleration/energy drift too large 7.45087913017497 + 16.8838572606227 split increased to 2 itime 540903 itsplit 1 - acceleration/energy drift too large 8.36424392096603 - 25.5264395697965 split increased to 2 itime 544481 + acceleration/energy drift too large 9.13934273600370 + 14.5424832901503 split increased to 2 itime 541586 itsplit 1 - acceleration/energy drift too large 2.18214795867128 - 12.3423977686499 split increased to 2 itime 544606 + acceleration/energy drift too large 3.28878330811168 + 14.0668966944636 split increased to 2 itime 543429 itsplit 1 - acceleration/energy drift too large 6.11230313252370 - 10.2980171113942 split increased to 2 itime 545485 + acceleration/energy drift too large 7.10176764303912 + 24.9810693167586 split increased to 2 itime 543553 itsplit 1 - acceleration/energy drift too large 6.09639594585531 - 13.9433008601488 split increased to 2 itime 548873 + acceleration/energy drift too large 3.67518507545133 + 15.7115257943942 split increased to 2 itime 545570 + itsplit 1 + acceleration/energy drift too large 1.82763923355613 + 10.6430662085738 split increased to 2 itime 547010 + itsplit 1 + acceleration/energy drift too large 6.79709874604756 + 14.5338016910421 split increased to 2 itime 547780 + itsplit 1 + acceleration/energy drift too large 8.66740940004443 + 46.2577262639354 split increased to 2 itime 548806 itsplit 1 Velocities reset to random values, time 109999.80 - acceleration/energy drift too large 3.14951643347623 - 25.6276292725509 split increased to 2 itime 550695 + acceleration/energy drift too large 6.98031515830752 + 16.3681412044044 split increased to 2 itime 550805 + itsplit 1 + acceleration/energy drift too large 5.56466717964789 + 10.6893576160746 split increased to 2 itime 551560 + itsplit 1 + acceleration/energy drift too large 8.66722800102975 + 34.4091533001656 split increased to 2 itime 552626 + itsplit 1 + acceleration/energy drift too large 5.95206494199864 + 11.2952160044880 split increased to 2 itime 553204 itsplit 1 - acceleration/energy drift too large 7.02960419714377 - 18.8561400520681 split increased to 2 itime 551301 + acceleration/energy drift too large 2.35136563570144 + 13.2945253411659 split increased to 2 itime 554126 itsplit 1 - acceleration/energy drift too large 7.14228773201681 - 23.5476630665799 split increased to 2 itime 554665 + acceleration/energy drift too large 11.9223534725259 + 79.4676007348885 split increased to 2 itime 555534 itsplit 1 - acceleration/energy drift too large 4.12087956553715 - 11.9930039024221 split increased to 2 itime 554885 + acceleration/energy drift too large 2.67477582364081 + 16.0805512160547 split increased to 2 itime 555712 itsplit 1 - acceleration/energy drift too large 2.88602896099044 - 16.7821448174739 split increased to 2 itime 555076 + acceleration/energy drift too large 3.05331615230430 + 21.6011469271110 split increased to 2 itime 557780 itsplit 1 - acceleration/energy drift too large 7.72305722694089 - 30.2566704130269 split increased to 2 itime 557319 + acceleration/energy drift too large 1.90693733319519 + 16.6227389467311 split increased to 2 itime 557888 itsplit 1 - acceleration/energy drift too large 2.75770327891020 - 20.5465634536640 split increased to 2 itime 558087 + acceleration/energy drift too large 4.68712896029507 + 23.3016288899550 split increased to 2 itime 557889 itsplit 1 - acceleration/energy drift too large 5.81487900439299 - 34.4371923880224 split increased to 2 itime 559463 + acceleration/energy drift too large 5.97999828190783 + 15.6192571238231 split increased to 2 itime 558809 + itsplit 1 + acceleration/energy drift too large 2.96730456950088 + 15.6387284064022 split increased to 4 itime 558809 + itsplit 1 + acceleration/energy drift too large 4.59198521960932 + 13.7940417166715 split increased to 2 itime 559360 itsplit 1 Velocities reset to random values, time 111999.80 - acceleration/energy drift too large 5.51873690448537 - 14.1345255831394 split increased to 2 itime 561097 + acceleration/energy drift too large 2.35422885529428 + 12.3844122229284 split increased to 2 itime 560597 itsplit 1 - acceleration/energy drift too large 5.93704580702400 - 15.3490474761184 split increased to 2 itime 561499 + acceleration/energy drift too large 2.07645355591264 + 12.2378076716551 split increased to 2 itime 561389 itsplit 1 - acceleration/energy drift too large 4.33718543330957 - 11.8173651085518 split increased to 2 itime 562819 + acceleration/energy drift too large 2.05634760347692 + 15.0578788967549 split increased to 2 itime 561773 itsplit 1 - acceleration/energy drift too large 6.70822833933985 - 28.6972700964068 split increased to 2 itime 567371 + acceleration/energy drift too large 1.42048036885650 + 13.9729052444533 split increased to 2 itime 561774 itsplit 1 - acceleration/energy drift too large 4.10636763316790 - 11.4374656605769 split increased to 2 itime 567611 + acceleration/energy drift too large 8.48943980437466 + 32.9077199343050 split increased to 2 itime 562016 itsplit 1 - acceleration/energy drift too large 6.52020518311591 - 28.5230633630081 split increased to 2 itime 569038 + acceleration/energy drift too large 5.30527770550581 + 17.7444499326357 split increased to 2 itime 562083 itsplit 1 - acceleration/energy drift too large 6.60596293696611 - 13.4729101347778 split increased to 2 itime 569986 + acceleration/energy drift too large 2.88916388335188 + 17.6869812212281 split increased to 2 itime 562216 itsplit 1 -Velocities reset to random values, time 113999.80 - acceleration/energy drift too large 6.16650742687397 - 17.1187976768187 split increased to 2 itime 570791 + acceleration/energy drift too large 3.59941094123962 + 16.1052811475477 split increased to 2 itime 562866 itsplit 1 - acceleration/energy drift too large 5.81595819375719 - 33.6876249207585 split increased to 2 itime 571049 + acceleration/energy drift too large 2.39924592935212 + 13.1506650427648 split increased to 2 itime 563401 itsplit 1 - acceleration/energy drift too large 4.92754648839650 - 10.4009251083591 split increased to 2 itime 572758 + acceleration/energy drift too large 4.58747319947896 + 10.8645422531091 split increased to 2 itime 567695 itsplit 1 - acceleration/energy drift too large 5.43010498115899 - 15.6895950483786 split increased to 2 itime 572943 + acceleration/energy drift too large 5.17856857583628 + 15.5385825169482 split increased to 2 itime 567770 itsplit 1 - acceleration/energy drift too large 11.5811899291733 - 57.6197376622282 split increased to 2 itime 574287 + acceleration/energy drift too large 2.62603418418936 + 13.2701379553715 split increased to 2 itime 569146 itsplit 1 - acceleration/energy drift too large 5.01418524016022 - 30.1414484501716 split increased to 2 itime 574624 + acceleration/energy drift too large 5.76454091570550 + 17.5633387139892 split increased to 2 itime 569961 itsplit 1 - acceleration/energy drift too large 7.28341247310506 - 22.5838890142601 split increased to 2 itime 578373 +Velocities reset to random values, time 113999.80 + acceleration/energy drift too large 3.12444653347003 + 23.0348432841966 split increased to 2 itime 570383 itsplit 1 -Velocities reset to random values, time 115999.80 - acceleration/energy drift too large 7.63567231135485 - 23.6315850161817 split increased to 2 itime 581731 + acceleration/energy drift too large 5.57240800016863 + 14.3438953539638 split increased to 2 itime 571543 + itsplit 1 + acceleration/energy drift too large 6.07292006609762 + 11.0777211419461 split increased to 2 itime 573381 itsplit 1 - acceleration/energy drift too large 7.18450983709880 - 12.5686844287206 split increased to 2 itime 582504 + acceleration/energy drift too large 2.28093411665101 + 10.4660672106310 split increased to 2 itime 574212 itsplit 1 - acceleration/energy drift too large 4.12549209203829 - 13.4887945902087 split increased to 2 itime 582505 + acceleration/energy drift too large 6.53241140843577 + 19.1558542404852 split increased to 2 itime 576438 itsplit 1 - acceleration/energy drift too large 4.04250130132424 - 18.5450614825182 split increased to 2 itime 582688 + acceleration/energy drift too large 5.68789008951812 + 14.0658460157882 split increased to 2 itime 577705 itsplit 1 - acceleration/energy drift too large 4.62052879128259 - 14.2350229853183 split increased to 2 itime 582931 + acceleration/energy drift too large 8.20097815367452 + 36.8902960307492 split increased to 2 itime 578473 itsplit 1 - acceleration/energy drift too large 3.77335811095739 - 25.1209557916056 split increased to 2 itime 584497 + acceleration/energy drift too large 1.51425958160191 + 13.1804138702093 split increased to 2 itime 578545 itsplit 1 - acceleration/energy drift too large 11.0394355863216 - 50.5091819611701 split increased to 2 itime 585171 + acceleration/energy drift too large 5.37370806534808 + 14.3785070914200 split increased to 2 itime 579708 itsplit 1 - acceleration/energy drift too large 4.60178044298010 - 26.8631717669138 split increased to 2 itime 585322 +Velocities reset to random values, time 115999.80 + acceleration/energy drift too large 6.96646248262088 + 12.8563205428295 split increased to 2 itime 580371 + itsplit 1 + acceleration/energy drift too large 8.54330576346264 + 32.4804116759017 split increased to 2 itime 580466 itsplit 1 - acceleration/energy drift too large 7.49146255758274 - 15.4641363122809 split increased to 2 itime 585325 + acceleration/energy drift too large 2.69589584217436 + 15.2144147449625 split increased to 2 itime 584088 itsplit 1 - acceleration/energy drift too large 7.79025317004341 - 11.6300333990511 split increased to 2 itime 585434 + acceleration/energy drift too large 2.30350853608901 + 12.3126092757199 split increased to 2 itime 584625 itsplit 1 - acceleration/energy drift too large 6.86559977736178 - 19.5698570587612 split increased to 2 itime 585629 + acceleration/energy drift too large 4.01504169354178 + 12.2130902509090 split increased to 2 itime 588313 itsplit 1 - acceleration/energy drift too large 6.36550204305350 - 16.2700352761409 split increased to 2 itime 587690 + acceleration/energy drift too large 4.38807970078082 + 20.6770918114537 split increased to 2 itime 589944 itsplit 1 Velocities reset to random values, time 117999.80 - acceleration/energy drift too large 8.89135460908539 - 36.2561371385500 split increased to 2 itime 590720 + acceleration/energy drift too large 6.71897035978137 + 28.4205738302086 split increased to 2 itime 592709 + itsplit 1 + acceleration/energy drift too large 1.49105938446176 + 13.6849763065613 split increased to 2 itime 593951 itsplit 1 - acceleration/energy drift too large 5.25091769158385 - 16.2387946362681 split increased to 2 itime 591002 + acceleration/energy drift too large 4.87540020038454 + 10.5344347514523 split increased to 2 itime 595391 itsplit 1 - acceleration/energy drift too large 5.88105405491799 - 11.6996835445240 split increased to 2 itime 593177 + acceleration/energy drift too large 6.37401459263186 + 16.5042090427831 split increased to 2 itime 595734 itsplit 1 - acceleration/energy drift too large 4.73574424823329 - 15.3735837402518 split increased to 2 itime 593252 + acceleration/energy drift too large 14.1035717005955 + 75.1750417367117 split increased to 2 itime 596405 itsplit 1 - acceleration/energy drift too large 4.21880362217025 - 12.5255294845599 split increased to 2 itime 594388 + acceleration/energy drift too large 2.89892918912561 + 13.0401003630253 split increased to 4 itime 596405 itsplit 1 - acceleration/energy drift too large 5.56002113442552 - 16.7093882841972 split increased to 2 itime 597556 + acceleration/energy drift too large 4.84936774104886 + 12.7318493527923 split increased to 2 itime 597704 itsplit 1 - acceleration/energy drift too large 10.2462413108095 - 47.9274431681622 split increased to 2 itime 599675 + acceleration/energy drift too large 8.60165584802023 + 29.0098303557514 split increased to 2 itime 598337 itsplit 1 - acceleration/energy drift too large 1.38654148498814 - 10.6980090434780 split increased to 2 itime 599676 + acceleration/energy drift too large 9.63496183633879 + 53.3706950189951 split increased to 2 itime 599676 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= 198.054687500000 0.000000000000000E+000 + REMD gather times= 249.179687500000 0.000000000000000E+000 REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 3.906250000000000E-003 + REMD writing traj time= 0.000000000000000E+000 NREP 16 -ACC 1 250.00000 0.00000 6 +ACC 1 250.00000 0.50000 6 ACC 2 260.00000 0.33333 6 -ACC 3 270.00000 0.16667 6 +ACC 3 270.00000 0.50000 6 ACC 4 280.00000 0.33333 6 ACC 5 290.00000 0.33333 6 -ACC 6 300.00000 0.66667 6 -ACC 7 310.00000 0.83333 6 -ACC 8 320.00000 0.50000 6 -ACC 9 330.00000 0.33333 6 -ACC 10 340.00000 0.50000 6 +ACC 6 300.00000 0.50000 6 +ACC 7 310.00000 0.66667 6 +ACC 8 320.00000 0.83333 6 +ACC 9 330.00000 0.16667 6 +ACC 10 340.00000 0.83333 6 ACC 11 350.00000 0.83333 6 -ACC 12 360.00000 0.83333 6 +ACC 12 360.00000 1.00000 6 ACC 13 370.00000 0.83333 6 -ACC 14 380.00000 0.66667 6 +ACC 14 380.00000 0.83333 6 ACC 15 390.00000 1.00000 6 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 7.812500000000000E-003 - acceleration/energy drift too large 3.96322220162837 - 10.2323964618884 split increased to 2 itime 600714 - itsplit 1 - acceleration/energy drift too large 4.41859043403412 - 15.1524076438958 split increased to 2 itime 601087 - itsplit 1 - acceleration/energy drift too large 2.89806266280132 - 10.7781697349246 split increased to 2 itime 601108 - itsplit 1 - acceleration/energy drift too large 6.56921209787100 - 13.7628889654595 split increased to 2 itime 602138 - itsplit 1 - acceleration/energy drift too large 5.49701274414760 - 10.4468185257906 split increased to 2 itime 602914 + REMD exchange time= 3.906250000000000E-003 + acceleration/energy drift too large 6.41276825986567 + 26.4277149156826 split increased to 2 itime 600320 itsplit 1 - acceleration/energy drift too large 3.39184834133846 - 26.4045482290246 split increased to 2 itime 603939 + acceleration/energy drift too large 10.6976883010763 + 48.1606203208920 split increased to 2 itime 600549 itsplit 1 - acceleration/energy drift too large 2.42760197305469 - 11.4142674444805 split increased to 2 itime 606060 + acceleration/energy drift too large 10.8196055611741 + 56.1981159295086 split increased to 2 itime 603701 itsplit 1 - acceleration/energy drift too large 5.93869135982654 - 18.5011608665208 split increased to 2 itime 606419 + acceleration/energy drift too large 2.47053510387990 + 12.7641193818717 split increased to 4 itime 603701 + itsplit 2 + acceleration/energy drift too large 2.62581509429762 + 14.1146687101652 split increased to 2 itime 606711 itsplit 1 - acceleration/energy drift too large 5.53132423663828 - 11.7435856725889 split increased to 2 itime 606511 + acceleration/energy drift too large 5.94218665276763 + 15.5938481698655 split increased to 2 itime 606928 itsplit 1 - acceleration/energy drift too large 4.95396979584485 - 13.9327819072926 split increased to 2 itime 607289 + acceleration/energy drift too large 7.58908302344115 + 17.1372827036672 split increased to 2 itime 607182 itsplit 1 - acceleration/energy drift too large 12.5428176657499 - 72.8672961153249 split increased to 2 itime 607592 + acceleration/energy drift too large 4.15460812778985 + 10.4130263845320 split increased to 2 itime 607213 itsplit 1 - acceleration/energy drift too large 3.35200624752281 - 14.8478224861671 split increased to 2 itime 608162 + acceleration/energy drift too large 4.84809355797531 + 16.9150687006580 split increased to 2 itime 607587 itsplit 1 Velocities reset to random values, time 121999.80 - acceleration/energy drift too large 7.48986769838658 - 16.4551025514807 split increased to 2 itime 610874 - itsplit 1 - acceleration/energy drift too large 6.88461640991794 - 23.6585285081094 split increased to 2 itime 611199 + acceleration/energy drift too large 2.44061536562066 + 11.9723875473272 split increased to 2 itime 610202 itsplit 1 - acceleration/energy drift too large 5.27073601075471 - 12.2999483175582 split increased to 2 itime 611634 + acceleration/energy drift too large 2.57954359429579 + 17.5213648292393 split increased to 2 itime 610786 itsplit 1 - acceleration/energy drift too large 2.58201837525089 - 12.0606766656704 split increased to 2 itime 613253 + acceleration/energy drift too large 8.38530834060213 + 29.9543411984409 split increased to 2 itime 611185 itsplit 1 - acceleration/energy drift too large 6.16435660892859 - 22.9479568507728 split increased to 2 itime 615402 - itsplit 1 - acceleration/energy drift too large 5.12452693717014 - 10.9198568084051 split increased to 2 itime 619830 + acceleration/energy drift too large 10.0919946306030 + 43.4888860857781 split increased to 2 itime 619815 itsplit 1 Velocities reset to random values, time 123999.80 - acceleration/energy drift too large 4.17701526070117 - 14.2011009034526 split increased to 2 itime 621416 - itsplit 1 - acceleration/energy drift too large 4.10705327937447 - 11.6784185605288 split increased to 2 itime 624317 - itsplit 1 - acceleration/energy drift too large 5.53915592533735 - 10.2229035809854 split increased to 2 itime 627998 + acceleration/energy drift too large 6.18684650279322 + 15.9608751784289 split increased to 2 itime 621503 itsplit 1 - acceleration/energy drift too large 5.27841308413134 - 15.3648190246371 split increased to 2 itime 628351 + acceleration/energy drift too large 5.75769098249470 + 10.0874691808690 split increased to 2 itime 622543 itsplit 1 -Velocities reset to random values, time 125999.80 - acceleration/energy drift too large 7.04387057075298 - 31.4935616822220 split increased to 2 itime 630885 - itsplit 1 - acceleration/energy drift too large 6.68363755885274 - 21.5108832759806 split increased to 2 itime 632247 + acceleration/energy drift too large 2.66221614418340 + 14.7231648874483 split increased to 2 itime 622641 itsplit 1 - acceleration/energy drift too large 3.05910585791017 - 19.6885630324212 split increased to 2 itime 632986 + acceleration/energy drift too large 4.96613819252275 + 13.8013680922376 split increased to 2 itime 628928 itsplit 1 - acceleration/energy drift too large 5.12769352143174 - 14.6704192601212 split increased to 2 itime 633355 + acceleration/energy drift too large 3.83242761843283 + 10.8665466335966 split increased to 2 itime 629902 itsplit 1 - acceleration/energy drift too large 6.38559801659031 - 18.4447165032649 split increased to 2 itime 634783 +Velocities reset to random values, time 125999.80 + acceleration/energy drift too large 2.72691050792927 + 11.0984258664679 split increased to 2 itime 630973 itsplit 1 - acceleration/energy drift too large 4.37574351736098 - 12.0104674398144 split increased to 2 itime 635396 + acceleration/energy drift too large 4.97156017872708 + 10.2480597569472 split increased to 2 itime 634308 itsplit 1 - acceleration/energy drift too large 2.11617752438243 - 17.3910185332113 split increased to 2 itime 637640 + acceleration/energy drift too large 4.03284780170917 + 10.1000116361740 split increased to 2 itime 638393 itsplit 1 - acceleration/energy drift too large 5.40983127492560 - 15.6746853752284 split increased to 2 itime 638949 + acceleration/energy drift too large 4.89500499984303 + 11.9759679367495 split increased to 2 itime 639196 itsplit 1 Velocities reset to random values, time 127999.80 - acceleration/energy drift too large 5.49396245340874 - 14.3063641242528 split increased to 2 itime 640367 + acceleration/energy drift too large 3.06989545426596 + 10.4965501986433 split increased to 2 itime 640824 itsplit 1 - acceleration/energy drift too large 5.66411582175966 - 14.6031377507839 split increased to 2 itime 640450 + acceleration/energy drift too large 3.17295956605742 + 18.4466342827992 split increased to 2 itime 641621 itsplit 1 - acceleration/energy drift too large 5.08536826004552 - 17.2452475813872 split increased to 2 itime 641566 + acceleration/energy drift too large 5.06746929650148 + 15.7128075882309 split increased to 2 itime 642969 itsplit 1 - acceleration/energy drift too large 7.20031333576747 - 34.1117511703152 split increased to 2 itime 641653 + acceleration/energy drift too large 2.18317934469786 + 14.6312354513596 split increased to 2 itime 643206 itsplit 1 - acceleration/energy drift too large 5.74880549150841 - 13.0217279265530 split increased to 2 itime 643114 + acceleration/energy drift too large 4.37995501256237 + 24.2084004236204 split increased to 2 itime 644581 itsplit 1 - acceleration/energy drift too large 3.91400544841935 - 11.3259441101517 split increased to 2 itime 643266 + acceleration/energy drift too large 3.44001208407200 + 25.3830960573422 split increased to 2 itime 648060 itsplit 1 - acceleration/energy drift too large 3.81420734202607 - 12.3486147360315 split increased to 2 itime 644221 + acceleration/energy drift too large 7.16657364223353 + 27.6746915333814 split increased to 2 itime 648427 itsplit 1 - acceleration/energy drift too large 2.40597025155458 - 11.5286680770710 split increased to 2 itime 644266 - itsplit 1 - acceleration/energy drift too large 2.07915660806829 - 10.3964138092613 split increased to 2 itime 644299 - itsplit 1 - acceleration/energy drift too large 8.07545626877385 - 23.3261073414046 split increased to 2 itime 644549 - itsplit 1 - acceleration/energy drift too large 3.96951190069606 - 11.1721589662295 split increased to 2 itime 644876 - itsplit 1 - acceleration/energy drift too large 2.27618065306530 - 13.5277417394543 split increased to 2 itime 647557 - itsplit 1 - acceleration/energy drift too large 2.03108006115075 - 11.0270520598066 split increased to 2 itime 648245 - itsplit 1 - acceleration/energy drift too large 2.51970474898790 - 11.3698345019869 split increased to 2 itime 648870 + acceleration/energy drift too large 5.84896942754945 + 25.2359015418186 split increased to 2 itime 648495 itsplit 1 Velocities reset to random values, time 129999.80 - acceleration/energy drift too large 7.93224033008258 - 17.7422576063067 split increased to 2 itime 650749 + acceleration/energy drift too large 3.78643276963843 + 10.2963640236438 split increased to 2 itime 652879 itsplit 1 - acceleration/energy drift too large 12.6073309438544 - 69.1533553109166 split increased to 2 itime 653042 + acceleration/energy drift too large 5.64049113636900 + 11.1603554186969 split increased to 2 itime 654040 itsplit 1 - acceleration/energy drift too large 4.82346225964454 - 14.4247637772301 split increased to 2 itime 653871 + acceleration/energy drift too large 5.57056954492371 + 18.6329322859279 split increased to 2 itime 654109 itsplit 1 - acceleration/energy drift too large 1.79591733472523 - 12.3630274211351 split increased to 2 itime 655548 + acceleration/energy drift too large 5.35294542117865 + 17.6212195519249 split increased to 2 itime 654569 itsplit 1 - acceleration/energy drift too large 7.27276382658144 - 12.2079923687059 split increased to 2 itime 656249 + acceleration/energy drift too large 7.73546474668400 + 38.0023103411554 split increased to 2 itime 656639 itsplit 1 - acceleration/energy drift too large 5.08715213587214 - 10.1959923107608 split increased to 2 itime 657469 + acceleration/energy drift too large 5.56535716970280 + 18.8421516008909 split increased to 2 itime 656650 itsplit 1 - acceleration/energy drift too large 6.48878716548795 - 27.1862431371945 split increased to 2 itime 658486 + acceleration/energy drift too large 8.27897556634581 + 28.9498553585017 split increased to 2 itime 659113 itsplit 1 -Velocities reset to random values, time 131999.80 - acceleration/energy drift too large 4.15031137518696 - 13.0864969275069 split increased to 2 itime 661108 - itsplit 1 - acceleration/energy drift too large 5.16148166833159 - 29.5406575564247 split increased to 2 itime 664018 - itsplit 1 - acceleration/energy drift too large 5.44028123271007 - 24.7765700588194 split increased to 2 itime 664077 + acceleration/energy drift too large 7.00380638501306 + 13.8385729146048 split increased to 2 itime 659114 itsplit 1 - acceleration/energy drift too large 5.57629614651598 - 30.1697881101307 split increased to 2 itime 664082 +Velocities reset to random values, time 131999.80 + acceleration/energy drift too large 9.04740683117041 + 37.3340509655439 split increased to 2 itime 662205 itsplit 1 - acceleration/energy drift too large 4.93049471074031 - 11.0178070375240 split increased to 2 itime 666076 + acceleration/energy drift too large 2.28466638719765 + 10.9504007097213 split increased to 2 itime 663404 itsplit 1 - acceleration/energy drift too large 4.17827038239580 - 21.9175403211334 split increased to 2 itime 668336 + acceleration/energy drift too large 3.49268168947069 + 22.4337466261792 split increased to 2 itime 669065 itsplit 1 - acceleration/energy drift too large 5.24749251383454 - 23.0621876676699 split increased to 2 itime 668706 + acceleration/energy drift too large 4.74677145548803 + 10.0206669110923 split increased to 2 itime 669107 itsplit 1 Velocities reset to random values, time 133999.80 - acceleration/energy drift too large 1.99633844199228 - 11.7731203328951 split increased to 2 itime 673267 - itsplit 1 - acceleration/energy drift too large 6.47386027223006 - 29.5228951267211 split increased to 2 itime 674876 + acceleration/energy drift too large 8.63670211951346 + 31.6414303188186 split increased to 2 itime 670188 itsplit 1 - acceleration/energy drift too large 5.02680929056851 - 19.6097944057903 split increased to 2 itime 675558 + acceleration/energy drift too large 3.06371394467724 + 13.1372365211317 split increased to 2 itime 673766 itsplit 1 - acceleration/energy drift too large 2.71127779134750 - 19.5890821969147 split increased to 2 itime 675666 + acceleration/energy drift too large 2.23576210479992 + 13.9040788015118 split increased to 2 itime 675621 itsplit 1 - acceleration/energy drift too large 5.18759708744289 - 29.7754032102188 split increased to 2 itime 679740 + acceleration/energy drift too large 2.99087055932100 + 26.2529026820693 split increased to 2 itime 679290 itsplit 1 Velocities reset to random values, time 135999.80 - acceleration/energy drift too large 7.18085605914221 - 24.0140549147132 split increased to 2 itime 685673 - itsplit 1 - acceleration/energy drift too large 4.48165228069812 - 13.2253146062332 split increased to 2 itime 685905 + acceleration/energy drift too large 4.09557984425410 + 13.9330473295296 split increased to 2 itime 681179 itsplit 1 - acceleration/energy drift too large 4.26565775153321 - 11.6153940139052 split increased to 2 itime 686911 + acceleration/energy drift too large 1.91622118208430 + 11.1703559507126 split increased to 2 itime 681446 itsplit 1 - acceleration/energy drift too large 4.16527148984205 - 14.4860480753405 split increased to 2 itime 688384 + acceleration/energy drift too large 4.57705061173539 + 14.3664376808430 split increased to 2 itime 683924 itsplit 1 - acceleration/energy drift too large 1.86737594447589 - 12.1998275331344 split increased to 2 itime 689491 + acceleration/energy drift too large 1.97249654562396 + 11.7923083838066 split increased to 2 itime 684384 itsplit 1 -Velocities reset to random values, time 137999.80 - acceleration/energy drift too large 2.31972435113388 - 11.3807543132671 split increased to 2 itime 690128 - itsplit 1 - acceleration/energy drift too large 4.33963678375370 - 12.5388320508221 split increased to 2 itime 690224 + acceleration/energy drift too large 8.12680825839594 + 28.9666812627199 split increased to 2 itime 686146 itsplit 1 - acceleration/energy drift too large 3.29283370213296 - 10.5796872561529 split increased to 2 itime 690310 + acceleration/energy drift too large 2.55427706453296 + 12.6494709608410 split increased to 2 itime 687873 itsplit 1 - acceleration/energy drift too large 1.83517226577567 - 12.9851417079435 split increased to 2 itime 692569 +Velocities reset to random values, time 137999.80 + acceleration/energy drift too large 6.94426503016089 + 15.8636716111209 split increased to 2 itime 694392 itsplit 1 - acceleration/energy drift too large 7.76957335767838 - 18.3605994109289 split increased to 2 itime 693160 + acceleration/energy drift too large 1.96500965362388 + 10.0876678873697 split increased to 2 itime 694453 itsplit 1 - acceleration/energy drift too large 10.9508002335935 - 54.9375894516725 split increased to 2 itime 695166 + acceleration/energy drift too large 6.23971174452310 + 25.9235606230153 split increased to 2 itime 695525 itsplit 1 - acceleration/energy drift too large 5.06162243853592 - 13.8367969455546 split increased to 2 itime 695297 + acceleration/energy drift too large 3.08163056884440 + 10.4342316046758 split increased to 2 itime 695538 itsplit 1 - acceleration/energy drift too large 7.52528335025527 - 31.5418160787363 split increased to 2 itime 697020 + acceleration/energy drift too large 2.85200186719036 + 18.5322970868536 split increased to 2 itime 696398 itsplit 1 - acceleration/energy drift too large 6.58954812649605 - 21.7087305554357 split increased to 2 itime 697346 + acceleration/energy drift too large 4.24654882251796 + 11.4185391289499 split increased to 2 itime 696636 itsplit 1 - acceleration/energy drift too large 6.78330687522669 - 17.6893757554306 split increased to 2 itime 697834 + acceleration/energy drift too large 4.73215626921589 + 10.2289063105993 split increased to 2 itime 697462 itsplit 1 - acceleration/energy drift too large 2.20584170919939 - 12.1313297525475 split increased to 2 itime 698905 + acceleration/energy drift too large 1.78165399756171 + 13.6183408477237 split increased to 2 itime 697687 itsplit 1 - acceleration/energy drift too large 7.19232714365963 - 17.7837094401803 split increased to 2 itime 699766 + acceleration/energy drift too large 4.28691596829781 + 13.3737144603561 split increased to 2 itime 699027 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= 231.023437500000 0.000000000000000E+000 + REMD gather times= 290.355468750000 0.000000000000000E+000 REMD writing rst time= 0.000000000000000E+000 REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.14286 7 +ACC 1 250.00000 0.42857 7 ACC 2 260.00000 0.28571 7 -ACC 3 270.00000 0.28571 7 +ACC 3 270.00000 0.42857 7 ACC 4 280.00000 0.28571 7 ACC 5 290.00000 0.42857 7 ACC 6 300.00000 0.57143 7 -ACC 7 310.00000 0.85714 7 -ACC 8 320.00000 0.57143 7 -ACC 9 330.00000 0.28571 7 -ACC 10 340.00000 0.57143 7 +ACC 7 310.00000 0.71429 7 +ACC 8 320.00000 0.71429 7 +ACC 9 330.00000 0.14286 7 +ACC 10 340.00000 0.85714 7 ACC 11 350.00000 0.85714 7 -ACC 12 360.00000 0.85714 7 +ACC 12 360.00000 1.00000 7 ACC 13 370.00000 0.85714 7 -ACC 14 380.00000 0.57143 7 +ACC 14 380.00000 0.71429 7 ACC 15 390.00000 1.00000 7 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 5.47448786399594 - 16.0814321263626 split increased to 2 itime 700099 - itsplit 1 - acceleration/energy drift too large 5.65506469320138 - 22.6457247798797 split increased to 2 itime 700670 - itsplit 1 - acceleration/energy drift too large 5.67727396548983 - 26.6945267723305 split increased to 2 itime 701310 - itsplit 1 - acceleration/energy drift too large 6.39425924843960 - 17.0048855494824 split increased to 2 itime 701494 - itsplit 1 - acceleration/energy drift too large 2.00170443599690 - 10.2940992813783 split increased to 2 itime 701833 + acceleration/energy drift too large 3.93472960083245 + 11.2063367947762 split increased to 2 itime 700377 itsplit 1 - acceleration/energy drift too large 4.48538821204426 - 15.6564039237042 split increased to 2 itime 701874 + acceleration/energy drift too large 4.34428093560174 + 11.5481687411087 split increased to 2 itime 701134 itsplit 1 - acceleration/energy drift too large 5.71976367706072 - 11.5217064248616 split increased to 2 itime 701891 + acceleration/energy drift too large 5.82641569686656 + 17.5363966801220 split increased to 2 itime 701580 itsplit 1 - acceleration/energy drift too large 2.78598654757093 - 11.2649120260678 split increased to 2 itime 701903 + acceleration/energy drift too large 4.74069265554034 + 12.5834635520145 split increased to 2 itime 702405 itsplit 1 - acceleration/energy drift too large 3.59140017063497 - 12.3901273992049 split increased to 2 itime 701907 + acceleration/energy drift too large 7.48848976579949 + 17.8288178141337 split increased to 2 itime 703489 itsplit 1 - acceleration/energy drift too large 4.95323439029755 - 15.1430577203668 split increased to 2 itime 701908 + acceleration/energy drift too large 2.73600511314082 + 12.6577490393069 split increased to 2 itime 705695 itsplit 1 - acceleration/energy drift too large 3.58515665153786 - 10.1888040988160 split increased to 2 itime 701912 + acceleration/energy drift too large 3.65119124475916 + 28.8921547736879 split increased to 2 itime 705807 itsplit 1 - acceleration/energy drift too large 2.84281113928769 - 11.2634365372436 split increased to 2 itime 701953 + acceleration/energy drift too large 4.98157476772346 + 23.0666844208626 split increased to 2 itime 706670 itsplit 1 - acceleration/energy drift too large 2.31171531562627 - 12.5837494980493 split increased to 2 itime 702204 + acceleration/energy drift too large 2.90355209805173 + 19.9868379888575 split increased to 2 itime 709441 itsplit 1 - acceleration/energy drift too large 8.74589727583190 - 35.0281681555361 split increased to 2 itime 702515 + acceleration/energy drift too large 6.34791227156518 + 13.6682906605570 split increased to 2 itime 709710 itsplit 1 - acceleration/energy drift too large 7.74613030482960 - 34.9937258242727 split increased to 2 itime 703153 + acceleration/energy drift too large 8.50503282573082 + 14.4688770915652 split increased to 2 itime 709952 itsplit 1 - acceleration/energy drift too large 11.7485399711371 - 60.5307941687862 split increased to 2 itime 703940 + acceleration/energy drift too large 7.05888230745372 + 15.5270078331849 split increased to 2 itime 709983 itsplit 1 - acceleration/energy drift too large 3.98464751525648 - 28.5361772254945 split increased to 2 itime 705097 + acceleration/energy drift too large 4.33375557263005 + 11.6208763934395 split increased to 2 itime 709985 itsplit 1 - acceleration/energy drift too large 4.48467844593258 - 16.8692014580580 split increased to 2 itime 705263 + acceleration/energy drift too large 8.77636154693241 + 16.6451507405149 split increased to 2 itime 709995 itsplit 1 Velocities reset to random values, time 141999.80 - acceleration/energy drift too large 7.92213705851886 - 15.9412966769959 split increased to 2 itime 711397 + acceleration/energy drift too large 5.29487453182966 + 15.2837475649310 split increased to 2 itime 711927 itsplit 1 - acceleration/energy drift too large 5.79376934349663 - 15.1847191480141 split increased to 2 itime 712445 + acceleration/energy drift too large 1.61408951237361 + 11.8179425920718 split increased to 2 itime 713638 itsplit 1 - acceleration/energy drift too large 4.66473280099138 - 27.6294525234945 split increased to 2 itime 713126 + acceleration/energy drift too large 6.53144087097745 + 18.2881450731301 split increased to 2 itime 715625 itsplit 1 - acceleration/energy drift too large 6.57007773765539 - 21.0901029738126 split increased to 2 itime 716043 + acceleration/energy drift too large 4.98297102709200 + 12.3967526538540 split increased to 2 itime 715885 itsplit 1 - acceleration/energy drift too large 5.66210950052828 - 12.0089922988501 split increased to 2 itime 717938 + acceleration/energy drift too large 6.61458692229760 + 25.0642180809315 split increased to 2 itime 717707 itsplit 1 -Velocities reset to random values, time 143999.80 - acceleration/energy drift too large 5.25067115972399 - 18.6527778223385 split increased to 2 itime 721848 - itsplit 1 - acceleration/energy drift too large 4.41990956217366 - 16.7297609500654 split increased to 2 itime 722427 - itsplit 1 - acceleration/energy drift too large 5.33583589091001 - 19.1431228945107 split increased to 2 itime 723321 + acceleration/energy drift too large 7.88661909821306 + 18.9512365014740 split increased to 2 itime 719072 itsplit 1 - acceleration/energy drift too large 5.74695405187337 - 12.3388322551327 split increased to 2 itime 724051 + acceleration/energy drift too large 2.96965421226421 + 11.6573800263961 split increased to 2 itime 719847 itsplit 1 - acceleration/energy drift too large 5.83173756549574 - 19.4848795469663 split increased to 2 itime 724373 +Velocities reset to random values, time 143999.80 + acceleration/energy drift too large 5.32646839703920 + 13.5606256341661 split increased to 2 itime 721620 itsplit 1 - acceleration/energy drift too large 5.91968311084838 - 11.0704786580737 split increased to 2 itime 724376 + acceleration/energy drift too large 6.29605706141192 + 19.3975354963952 split increased to 2 itime 725117 itsplit 1 - acceleration/energy drift too large 1.48449627747492 - 16.9368651728721 split increased to 2 itime 724377 + acceleration/energy drift too large 6.87534575421433 + 14.2132924198026 split increased to 2 itime 725199 itsplit 1 - acceleration/energy drift too large 4.79249016755956 - 16.2095868839404 split increased to 2 itime 725672 + acceleration/energy drift too large 7.93503479211159 + 10.1457532084715 split increased to 2 itime 726782 itsplit 1 - acceleration/energy drift too large 4.35679320953408 - 10.3216027027103 split increased to 2 itime 725831 + acceleration/energy drift too large 5.73106854706756 + 11.9473961093287 split increased to 2 itime 727155 itsplit 1 - acceleration/energy drift too large 2.98969126555545 - 21.4560765338258 split increased to 2 itime 727866 + acceleration/energy drift too large 5.86881620959184 + 16.2956370169348 split increased to 2 itime 727783 itsplit 1 - acceleration/energy drift too large 4.55490198716749 - 13.7727785544750 split increased to 2 itime 728488 +Velocities reset to random values, time 145999.80 + acceleration/energy drift too large 5.68155995086396 + 12.8716171152305 split increased to 2 itime 733764 itsplit 1 - acceleration/energy drift too large 2.07964060785296 - 11.6563807461553 split increased to 2 itime 728641 + acceleration/energy drift too large 5.89637655810470 + 22.4585358032075 split increased to 2 itime 734317 itsplit 1 - acceleration/energy drift too large 2.68861977000979 - 19.7001706882952 split increased to 2 itime 728758 + acceleration/energy drift too large 4.38946697000217 + 13.2992698589204 split increased to 2 itime 735481 itsplit 1 - acceleration/energy drift too large 3.92465638370386 - 18.0298006180256 split increased to 2 itime 729671 + acceleration/energy drift too large 2.54784871949555 + 17.4560434088089 split increased to 2 itime 735610 itsplit 1 -Velocities reset to random values, time 145999.80 - acceleration/energy drift too large 4.44089774845805 - 11.8617062557767 split increased to 2 itime 730968 + acceleration/energy drift too large 7.75177241787974 + 25.5505449219941 split increased to 2 itime 735611 itsplit 1 - acceleration/energy drift too large 8.66557607782664 - 37.0646597396451 split increased to 2 itime 733370 - itsplit 1 - acceleration/energy drift too large 5.28545249639639 - 11.5306628560378 split increased to 2 itime 734034 +Velocities reset to random values, time 147999.80 + acceleration/energy drift too large 7.72491739431766 + 35.0724632154724 split increased to 2 itime 740185 itsplit 1 - acceleration/energy drift too large 7.26769317960345 - 21.0562839731303 split increased to 2 itime 735911 + acceleration/energy drift too large 2.77675944803162 + 17.4632744496337 split increased to 2 itime 743430 itsplit 1 - acceleration/energy drift too large 6.14055426519057 - 12.9359189894445 split increased to 2 itime 736869 + acceleration/energy drift too large 2.71439396112492 + 12.0497533900353 split increased to 2 itime 743461 itsplit 1 - acceleration/energy drift too large 4.94347675791034 - 15.3914904179479 split increased to 2 itime 738618 + acceleration/energy drift too large 4.33665903249174 + 10.0862823369909 split increased to 2 itime 743482 itsplit 1 - acceleration/energy drift too large 6.23916405173494 - 22.1342854402178 split increased to 2 itime 739573 + acceleration/energy drift too large 2.18579483653158 + 18.0426516663185 split increased to 2 itime 744188 itsplit 1 -Velocities reset to random values, time 147999.80 - acceleration/energy drift too large 9.81124800674843 - 41.7171228614187 split increased to 2 itime 743123 + acceleration/energy drift too large 8.43338489883138 + 48.6453076961397 split increased to 2 itime 744649 itsplit 1 - acceleration/energy drift too large 3.90965427933629 - 11.5852452261806 split increased to 2 itime 744046 + acceleration/energy drift too large 6.60414762543752 + 18.8221701651620 split increased to 2 itime 744960 itsplit 1 - acceleration/energy drift too large 2.15287481031975 - 11.0455437361992 split increased to 2 itime 744502 + acceleration/energy drift too large 6.82388857970415 + 16.7034708258202 split increased to 2 itime 747389 itsplit 1 - acceleration/energy drift too large 11.7198538232527 - 62.3005470307827 split increased to 2 itime 745076 + acceleration/energy drift too large 4.24577791377603 + 11.7151816091767 split increased to 2 itime 748125 itsplit 1 - acceleration/energy drift too large 4.04451893721570 - 14.8840790838459 split increased to 2 itime 747223 +Velocities reset to random values, time 149999.80 + acceleration/energy drift too large 14.2580341642123 + 68.0425850143622 split increased to 2 itime 750036 itsplit 1 - acceleration/energy drift too large 6.69328934748948 - 18.0681338052005 split increased to 2 itime 748936 + acceleration/energy drift too large 1.37734718709133 + 12.3715433735723 split increased to 2 itime 750098 itsplit 1 -Velocities reset to random values, time 149999.80 - acceleration/energy drift too large 5.72665226388256 - 23.0820391760559 split increased to 2 itime 750093 + acceleration/energy drift too large 2.14819944339201 + 19.0503035730486 split increased to 2 itime 751906 itsplit 1 - acceleration/energy drift too large 8.66294714065578 - 34.0576880632827 split increased to 2 itime 750358 + acceleration/energy drift too large 5.83489678404588 + 17.2629224217329 split increased to 2 itime 752662 itsplit 1 - acceleration/energy drift too large 1.98259072980531 - 10.1419936294685 split increased to 2 itime 752483 + acceleration/energy drift too large 2.23243631458889 + 10.8104764541568 split increased to 2 itime 753797 itsplit 1 - acceleration/energy drift too large 5.46308357335595 - 13.7019720709387 split increased to 2 itime 752960 + acceleration/energy drift too large 5.09947780824544 + 13.4010978902820 split increased to 2 itime 754466 itsplit 1 - acceleration/energy drift too large 6.41320481010107 - 25.2534833150609 split increased to 2 itime 758823 + acceleration/energy drift too large 5.07879120725615 + 12.2359838318543 split increased to 2 itime 755875 itsplit 1 - acceleration/energy drift too large 7.79557515238690 - 17.5904411315425 split increased to 2 itime 758863 + acceleration/energy drift too large 8.95906921437676 + 34.9324559384845 split increased to 2 itime 756505 itsplit 1 - acceleration/energy drift too large 5.84769131371794 - 10.8634552419694 split increased to 2 itime 758952 + acceleration/energy drift too large 3.92969734770630 + 13.2801363309280 split increased to 2 itime 757695 itsplit 1 - acceleration/energy drift too large 3.94472425635920 - 10.4011755976626 split increased to 2 itime 759251 + acceleration/energy drift too large 12.1286059623756 + 69.3661231273822 split increased to 2 itime 758473 itsplit 1 Velocities reset to random values, time 151999.80 - acceleration/energy drift too large 4.26161543296282 - 10.3240775023182 split increased to 2 itime 764223 - itsplit 1 - acceleration/energy drift too large 5.42060149807675 - 30.3274473655174 split increased to 2 itime 764862 + acceleration/energy drift too large 2.38956194335038 + 13.4824251234111 split increased to 2 itime 761283 itsplit 1 - acceleration/energy drift too large 3.90666790878864 - 10.6838065309903 split increased to 2 itime 764910 + acceleration/energy drift too large 6.71335589701264 + 29.9995440804558 split increased to 2 itime 761313 itsplit 1 - acceleration/energy drift too large 5.72714213429064 - 26.7704383914941 split increased to 2 itime 765419 + acceleration/energy drift too large 2.60381034694572 + 19.8174050912151 split increased to 2 itime 761367 itsplit 1 - acceleration/energy drift too large 4.26545540107464 - 13.2486676087628 split increased to 2 itime 768439 + acceleration/energy drift too large 5.35912210985763 + 11.5704300826650 split increased to 2 itime 761377 itsplit 1 - acceleration/energy drift too large 5.36282557354466 - 15.5673086771597 split increased to 2 itime 768964 + acceleration/energy drift too large 7.02612688452159 + 24.2981219904154 split increased to 2 itime 761640 itsplit 1 - acceleration/energy drift too large 6.17663238723834 - 30.6427002908346 split increased to 2 itime 769271 + acceleration/energy drift too large 3.30210232429247 + 21.0520994855872 split increased to 2 itime 762305 itsplit 1 - acceleration/energy drift too large 9.71230506903307 - 41.4505087031495 split increased to 2 itime 769398 + acceleration/energy drift too large 5.70974440002933 + 12.6434879020145 split increased to 2 itime 765075 itsplit 1 - acceleration/energy drift too large 8.83971871468189 - 25.9729073655119 split increased to 2 itime 769416 + acceleration/energy drift too large 2.91805930866349 + 10.2705170089242 split increased to 2 itime 766754 itsplit 1 - acceleration/energy drift too large 4.67587027693984 - 13.1815496581720 split increased to 2 itime 769804 + acceleration/energy drift too large 3.87827711722365 + 10.3833855869453 split increased to 2 itime 768017 itsplit 1 Velocities reset to random values, time 153999.80 - acceleration/energy drift too large 2.93869723237927 - 20.3869529098574 split increased to 2 itime 770649 + acceleration/energy drift too large 7.23304735491319 + 19.5503566674271 split increased to 2 itime 777319 itsplit 1 - acceleration/energy drift too large 3.45100585290910 - 14.6994978178362 split increased to 2 itime 771159 + acceleration/energy drift too large 7.49808799816246 + 17.5046224532120 split increased to 2 itime 778011 itsplit 1 - acceleration/energy drift too large 5.41305444534499 - 11.9463377590223 split increased to 2 itime 773194 + acceleration/energy drift too large 5.42546312700277 + 22.2799165999441 split increased to 2 itime 778696 itsplit 1 - acceleration/energy drift too large 2.21566093752249 - 10.3322205482370 split increased to 2 itime 773337 + acceleration/energy drift too large 5.29167669695716 + 17.9690397516625 split increased to 2 itime 778773 itsplit 1 - acceleration/energy drift too large 8.44252853303192 - 21.7141046765125 split increased to 2 itime 773991 - itsplit 1 - acceleration/energy drift too large 4.71336369540746 - 12.4341213248099 split increased to 2 itime 774637 +Velocities reset to random values, time 155999.80 + acceleration/energy drift too large 3.80278396587570 + 10.2057167982440 split increased to 2 itime 780340 itsplit 1 - acceleration/energy drift too large 6.18727814603421 - 16.7645617593299 split increased to 2 itime 776330 + acceleration/energy drift too large 5.77447244578019 + 17.7661299519136 split increased to 2 itime 781365 itsplit 1 - acceleration/energy drift too large 2.27904636501192 - 10.6961990358938 split increased to 4 itime 776330 + acceleration/energy drift too large 7.31269052253176 + 19.7831445138354 split increased to 2 itime 781492 itsplit 1 - acceleration/energy drift too large 2.50456007561099 - 11.1806767994931 split increased to 2 itime 777553 + acceleration/energy drift too large 4.31697423507348 + 11.9400262614120 split increased to 2 itime 781824 itsplit 1 - acceleration/energy drift too large 4.70360253245457 - 14.2608028773883 split increased to 2 itime 777986 + acceleration/energy drift too large 0.347356432252640 + 10.1932673423635 split increased to 2 itime 781825 itsplit 1 - acceleration/energy drift too large 6.01283452132286 - 14.9454379960258 split increased to 2 itime 779791 + acceleration/energy drift too large 5.14786144935377 + 11.0889243004452 split increased to 2 itime 783548 itsplit 1 -Velocities reset to random values, time 155999.80 - acceleration/energy drift too large 2.10273356257461 - 10.2081232355262 split increased to 2 itime 780287 + acceleration/energy drift too large 2.41326108064900 + 11.8803050399384 split increased to 4 itime 783548 itsplit 1 - acceleration/energy drift too large 2.56658434251135 - 17.0189388217763 split increased to 2 itime 780460 + acceleration/energy drift too large 7.38892019473086 + 25.3696073905825 split increased to 2 itime 784069 itsplit 1 - acceleration/energy drift too large 2.98878201285777 - 18.2246038541938 split increased to 2 itime 782272 + acceleration/energy drift too large 3.45160411183108 + 12.3357234331473 split increased to 2 itime 786092 itsplit 1 - acceleration/energy drift too large 7.58951264571760 - 11.2409749120134 split increased to 2 itime 784213 + acceleration/energy drift too large 4.44535111718529 + 20.2183669461845 split increased to 2 itime 786385 itsplit 1 - acceleration/energy drift too large 9.14640845397853 - 37.7725798472462 split increased to 2 itime 786039 + acceleration/energy drift too large 5.96001230229975 + 26.7635877251907 split increased to 2 itime 787503 itsplit 1 Velocities reset to random values, time 157999.80 - acceleration/energy drift too large 5.39539268687014 - 10.2989045686283 split increased to 2 itime 791426 + acceleration/energy drift too large 5.23548359761978 + 17.9114640456567 split increased to 2 itime 790651 + itsplit 1 + acceleration/energy drift too large 5.19874131998921 + 20.8276389678619 split increased to 2 itime 791576 + itsplit 1 + acceleration/energy drift too large 2.27027156472139 + 14.2373773395271 split increased to 2 itime 791720 + itsplit 1 + acceleration/energy drift too large 4.21481357532670 + 10.5182673748253 split increased to 2 itime 792410 itsplit 1 - acceleration/energy drift too large 4.49565803929829 - 10.5511352643648 split increased to 2 itime 792506 + acceleration/energy drift too large 9.62747663514687 + 33.2828624009179 split increased to 2 itime 793407 itsplit 1 - acceleration/energy drift too large 2.81434272847603 - 15.3854891989203 split increased to 2 itime 792604 + acceleration/energy drift too large 6.08595268147392 + 17.2183956122480 split increased to 2 itime 793762 itsplit 1 - acceleration/energy drift too large 2.94216014277568 - 18.3404320468981 split increased to 2 itime 798412 + acceleration/energy drift too large 2.33187635002060 + 17.2973581161712 split increased to 2 itime 793846 itsplit 1 - acceleration/energy drift too large 5.64795855293663 - 25.1962527061295 split increased to 2 itime 799527 + acceleration/energy drift too large 3.76374231425319 + 11.0863475859656 split increased to 2 itime 797548 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= 265.816406250000 0.000000000000000E+000 - REMD writing rst time= 3.906250000000000E-003 - REMD writing traj time= 0.000000000000000E+000 + REMD gather times= 331.621093750000 0.000000000000000E+000 + REMD writing rst time= 0.000000000000000E+000 + REMD writing traj time= 3.906250000000000E-003 NREP 16 -ACC 1 250.00000 0.25000 8 +ACC 1 250.00000 0.50000 8 ACC 2 260.00000 0.25000 8 -ACC 3 270.00000 0.25000 8 -ACC 4 280.00000 0.37500 8 +ACC 3 270.00000 0.37500 8 +ACC 4 280.00000 0.25000 8 ACC 5 290.00000 0.37500 8 ACC 6 300.00000 0.62500 8 ACC 7 310.00000 0.75000 8 -ACC 8 320.00000 0.50000 8 -ACC 9 330.00000 0.37500 8 -ACC 10 340.00000 0.62500 8 +ACC 8 320.00000 0.75000 8 +ACC 9 330.00000 0.25000 8 +ACC 10 340.00000 0.87500 8 ACC 11 350.00000 0.75000 8 -ACC 12 360.00000 0.75000 8 +ACC 12 360.00000 0.87500 8 ACC 13 370.00000 0.87500 8 -ACC 14 380.00000 0.62500 8 +ACC 14 380.00000 0.75000 8 ACC 15 390.00000 1.00000 8 REMD scatter time= 0.000000000000000E+000 REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 5.69184022659095 - 18.1280788398406 split increased to 2 itime 801759 - itsplit 1 - acceleration/energy drift too large 2.47663437551951 - 15.9730202066525 split increased to 2 itime 802462 - itsplit 1 - acceleration/energy drift too large 4.64495268520800 - 17.4308872191671 split increased to 2 itime 803735 - itsplit 1 - acceleration/energy drift too large 3.31684780375985 - 18.6879210932804 split increased to 2 itime 804402 + acceleration/energy drift too large 4.08408958740091 + 12.4488236775417 split increased to 2 itime 800440 itsplit 1 - acceleration/energy drift too large 5.36922286923187 - 21.9532937348521 split increased to 2 itime 804660 + acceleration/energy drift too large 3.12351915924261 + 11.5479193458302 split increased to 2 itime 801256 itsplit 1 - acceleration/energy drift too large 6.37825114896446 - 14.4491818413710 split increased to 2 itime 806590 + acceleration/energy drift too large 4.76765323789805 + 13.7971758966707 split increased to 2 itime 802194 itsplit 1 - acceleration/energy drift too large 4.98119093288604 - 11.4007966765606 split increased to 2 itime 808191 + acceleration/energy drift too large 7.19336682379580 + 16.4374505373611 split increased to 2 itime 805507 itsplit 1 - acceleration/energy drift too large 9.18021482829698 - 42.0871825364108 split increased to 2 itime 808829 + acceleration/energy drift too large 4.20944490114535 + 12.6537934545908 split increased to 2 itime 805689 itsplit 1 - acceleration/energy drift too large 5.74378967193748 - 11.8684945271402 split increased to 2 itime 809174 + acceleration/energy drift too large 3.45858800382427 + 10.2880432515098 split increased to 2 itime 806028 itsplit 1 - acceleration/energy drift too large 7.00466679942705 - 19.5318128570421 split increased to 2 itime 809470 + acceleration/energy drift too large 5.66476398431336 + 15.1302639260121 split increased to 2 itime 808305 itsplit 1 Velocities reset to random values, time 161999.80 - acceleration/energy drift too large 2.77593587926664 - 13.3494036855375 split increased to 2 itime 813319 + acceleration/energy drift too large 6.47200256263873 + 28.7184629958246 split increased to 2 itime 811039 itsplit 1 - acceleration/energy drift too large 3.11328474800247 - 21.7262258784563 split increased to 2 itime 813356 + acceleration/energy drift too large 2.44388243700491 + 10.5618779643494 split increased to 2 itime 811771 itsplit 1 - acceleration/energy drift too large 2.57694577633394 - 11.4204989083551 split increased to 2 itime 813360 + acceleration/energy drift too large 5.08529166998655 + 24.3663441062480 split increased to 2 itime 813193 itsplit 1 - acceleration/energy drift too large 12.1364311482590 - 51.2784880555406 split increased to 2 itime 813605 + acceleration/energy drift too large 7.33571159855923 + 35.3725925031465 split increased to 2 itime 814982 itsplit 1 - acceleration/energy drift too large 7.12272239687025 - 12.9161851105933 split increased to 2 itime 814118 + acceleration/energy drift too large 7.68404272134721 + 30.3237702470528 split increased to 2 itime 816982 itsplit 1 - acceleration/energy drift too large 3.60834820891743 - 10.7802410161634 split increased to 2 itime 815123 + acceleration/energy drift too large 5.10313454590048 + 17.4921742589240 split increased to 2 itime 818234 itsplit 1 - acceleration/energy drift too large 7.02335379907620 - 17.4651182685528 split increased to 2 itime 816286 - itsplit 1 - acceleration/energy drift too large 6.12054129750139 - 16.0343062222713 split increased to 2 itime 817933 - itsplit 1 - acceleration/energy drift too large 7.17836800952848 - 19.1722670107335 split increased to 2 itime 818820 - itsplit 1 - acceleration/energy drift too large 3.14246641736954 - 21.8242019947103 split increased to 2 itime 819874 + acceleration/energy drift too large 7.98675736437558 + 30.5755774648578 split increased to 2 itime 819621 itsplit 1 Velocities reset to random values, time 163999.80 - acceleration/energy drift too large 2.16346670520375 - 11.8892441673650 split increased to 2 itime 820585 + acceleration/energy drift too large 4.78054324272918 + 11.1824332632478 split increased to 2 itime 820402 itsplit 1 - acceleration/energy drift too large 3.73661148415550 - 12.1494505880900 split increased to 2 itime 822409 + acceleration/energy drift too large 3.26038963959499 + 20.2185218874292 split increased to 2 itime 823803 itsplit 1 - acceleration/energy drift too large 5.44775386212662 - 12.2232342894893 split increased to 2 itime 829578 + acceleration/energy drift too large 5.82700272401535 + 22.2969032965753 split increased to 2 itime 829456 itsplit 1 Velocities reset to random values, time 165999.80 - acceleration/energy drift too large 5.67367285137345 - 20.5568770474535 split increased to 2 itime 830374 - itsplit 1 - acceleration/energy drift too large 4.51949677762530 - 21.1283251782690 split increased to 2 itime 831529 - itsplit 1 - acceleration/energy drift too large 11.1377430754238 - 56.6130897268729 split increased to 2 itime 832140 - itsplit 1 - acceleration/energy drift too large 6.13628494692663 - 19.8917363160433 split increased to 2 itime 833270 - itsplit 1 - acceleration/energy drift too large 2.70129240808395 - 18.1934208995214 split increased to 2 itime 834029 - itsplit 1 - acceleration/energy drift too large 20.4983321101833 - 141.933726209782 split increased to 2 itime 834354 - itsplit 1 - acceleration/energy drift too large 2.92534341216855 - 12.4061421769750 split increased to 4 itime 834354 - itsplit 2 - acceleration/energy drift too large 3.42933184399123 - 10.5778107537472 split increased to 2 itime 834676 - itsplit 1 - acceleration/energy drift too large 11.5382490567512 - 67.2381839984131 split increased to 2 itime 834867 - itsplit 1 - acceleration/energy drift too large 2.13017916159000 - 10.0590881328853 split increased to 4 itime 834867 - itsplit 1 - acceleration/energy drift too large 6.77442035953581 - 22.2520985807958 split increased to 2 itime 835023 - itsplit 1 - acceleration/energy drift too large 6.10472729129359 - 18.9579373048869 split increased to 2 itime 835304 - itsplit 1 - acceleration/energy drift too large 3.59944010611146 - 12.5511990191480 split increased to 2 itime 835535 - itsplit 1 - acceleration/energy drift too large 3.71671638087789 - 15.1193490932687 split increased to 2 itime 836190 - itsplit 1 - acceleration/energy drift too large 6.55799735346748 - 14.4341344240815 split increased to 2 itime 836703 - itsplit 1 - acceleration/energy drift too large 7.37759763767898 - 15.1466310800042 split increased to 2 itime 836955 - itsplit 1 - acceleration/energy drift too large 10.2845652929581 - 59.7222684264935 split increased to 2 itime 838442 - itsplit 1 - acceleration/energy drift too large 7.62617652490755 - 21.2560683382069 split increased to 2 itime 838574 - itsplit 1 - acceleration/energy drift too large 4.10001251782929 - 12.8615377889816 split increased to 2 itime 839088 + acceleration/energy drift too large 4.33818208044453 + 15.7830111180855 split increased to 2 itime 830418 itsplit 1 Velocities reset to random values, time 167999.80 - acceleration/energy drift too large 4.24112442100231 - 12.6374553292456 split increased to 2 itime 844561 - itsplit 1 - acceleration/energy drift too large 3.93799286257976 - 19.8886721813916 split increased to 2 itime 845685 - itsplit 1 - acceleration/energy drift too large 2.31945667505882 - 15.5587000295129 split increased to 2 itime 847050 - itsplit 1 - acceleration/energy drift too large 4.88169163942168 - 11.5358880255945 split increased to 2 itime 847216 - itsplit 1 - acceleration/energy drift too large 3.52358276704927 - 16.9686750137679 split increased to 2 itime 847217 + acceleration/energy drift too large 9.41834978888285 + 39.7753471470065 split increased to 2 itime 840511 itsplit 1 - acceleration/energy drift too large 1.42764555010007 - 10.9926494209312 split increased to 2 itime 847223 + acceleration/energy drift too large 5.54357869442185 + 13.7753319393231 split increased to 2 itime 844045 itsplit 1 - acceleration/energy drift too large 3.51109305242172 - 11.8099663899081 split increased to 2 itime 847461 + acceleration/energy drift too large 8.78253291842823 + 37.1617187185735 split increased to 2 itime 844750 itsplit 1 - acceleration/energy drift too large 5.77892541914608 - 12.7975231500319 split increased to 2 itime 848154 + acceleration/energy drift too large 7.71858191080219 + 23.5136351225193 split increased to 2 itime 846405 itsplit 1 - acceleration/energy drift too large 3.09843795429636 - 13.7478467475547 split increased to 2 itime 848165 + acceleration/energy drift too large 4.43034239515480 + 11.7919290417298 split increased to 2 itime 847840 itsplit 1 - acceleration/energy drift too large 4.43237670476176 - 19.9750104407127 split increased to 2 itime 848230 - itsplit 1 - acceleration/energy drift too large 13.7148042146841 - 70.7941393867578 split increased to 2 itime 848491 + acceleration/energy drift too large 8.87599084665895 + 21.5493505821429 split increased to 2 itime 848352 itsplit 1 Velocities reset to random values, time 169999.80 - acceleration/energy drift too large 7.61676421297572 - 21.4259325254340 split increased to 2 itime 850260 - itsplit 1 - acceleration/energy drift too large 1.25346456330917 - 10.3457858717038 split increased to 2 itime 850261 - itsplit 1 - acceleration/energy drift too large 1.74665638515017 - 10.0482023647463 split increased to 2 itime 850470 - itsplit 1 - acceleration/energy drift too large 1.70728092273426 - 10.9568563307795 split increased to 2 itime 851185 - itsplit 1 - acceleration/energy drift too large 23.1852183384183 - 176.963727538405 split increased to 2 itime 851300 - itsplit 1 - acceleration/energy drift too large 5.83472572879691 - 44.9471860778641 split increased to 4 itime 851300 - itsplit 2 - acceleration/energy drift too large 2.22588804191595 - 10.0742773097540 split increased to 2 itime 852465 - itsplit 1 - acceleration/energy drift too large 4.13914778293874 - 11.3651680708259 split increased to 2 itime 853616 - itsplit 1 - acceleration/energy drift too large 2.70993643702732 - 10.0081245656962 split increased to 2 itime 853623 - itsplit 1 - acceleration/energy drift too large 2.40723452119426 - 10.7955911606517 split increased to 2 itime 853648 - itsplit 1 - acceleration/energy drift too large 3.58259873352019 - 10.2638629899012 split increased to 2 itime 853652 - itsplit 1 - acceleration/energy drift too large 1.73599459549526 - 11.0573504480056 split increased to 2 itime 853656 - itsplit 1 - acceleration/energy drift too large 3.45764380535926 - 16.8964129071071 split increased to 2 itime 853657 - itsplit 1 - acceleration/energy drift too large 6.87824727924225 - 25.8022775788538 split increased to 2 itime 853739 - itsplit 1 - acceleration/energy drift too large 6.43033353188756 - 14.5649848290852 split increased to 2 itime 853947 - itsplit 1 - acceleration/energy drift too large 4.53570505648495 - 11.3665608311547 split increased to 2 itime 854696 - itsplit 1 - acceleration/energy drift too large 7.30444034511156 - 13.4876067717069 split increased to 2 itime 854844 - itsplit 1 - acceleration/energy drift too large 2.05742891643888 - 15.3086194851741 split increased to 2 itime 854845 + acceleration/energy drift too large 8.43703375440349 + 26.1111376703467 split increased to 2 itime 850260 itsplit 1 - acceleration/energy drift too large 5.77077988432234 - 10.8974940192393 split increased to 2 itime 856594 + acceleration/energy drift too large 2.41637898959447 + 11.9496115966891 split increased to 4 itime 850260 itsplit 1 - acceleration/energy drift too large 7.44919000350047 - 23.7195158818458 split increased to 2 itime 857366 + acceleration/energy drift too large 3.65410582160430 + 28.9337075120477 split increased to 2 itime 857936 itsplit 1 - acceleration/energy drift too large 9.63640978450148 - 34.5381116486810 split increased to 2 itime 857682 + acceleration/energy drift too large 6.38002562341255 + 20.5163193214104 split increased to 2 itime 857970 itsplit 1 - acceleration/energy drift too large 8.34775496729379 - 27.6122498528047 split increased to 2 itime 857751 + acceleration/energy drift too large 3.03941011527822 + 12.5754059523026 split increased to 2 itime 858903 itsplit 1 - acceleration/energy drift too large 5.00186915474457 - 13.0090747190353 split increased to 2 itime 859281 - itsplit 1 - acceleration/energy drift too large 14.8450733701072 - 75.6464389573518 split increased to 2 itime 859625 - itsplit 1 - acceleration/energy drift too large 3.09785458102877 - 13.0526652410475 split increased to 4 itime 859625 - itsplit 2 Velocities reset to random values, time 171999.80 - acceleration/energy drift too large 7.41609016096907 - 16.1050878059863 split increased to 2 itime 860022 - itsplit 1 - acceleration/energy drift too large 2.07651375960769 - 10.5726606871485 split increased to 2 itime 860332 + acceleration/energy drift too large 5.09869595999513 + 17.2023674029247 split increased to 2 itime 861988 itsplit 1 - acceleration/energy drift too large 5.66007319700235 - 10.4105021818082 split increased to 2 itime 860651 + acceleration/energy drift too large 3.16529716885340 + 22.3504973180927 split increased to 2 itime 863263 itsplit 1 - acceleration/energy drift too large 1.46846363652615 - 10.9867888832103 split increased to 2 itime 863133 + acceleration/energy drift too large 3.94815827368737 + 20.9389938660938 split increased to 2 itime 868128 itsplit 1 - acceleration/energy drift too large 7.76385210438962 - 14.3630035042602 split increased to 2 itime 863363 + acceleration/energy drift too large 2.82813693077582 + 10.0201144432299 split increased to 2 itime 868161 itsplit 1 - acceleration/energy drift too large 3.39053408494881 - 14.3143686945423 split increased to 2 itime 863372 + acceleration/energy drift too large 2.97370644372922 + 14.7588956752508 split increased to 2 itime 868183 itsplit 1 - acceleration/energy drift too large 2.17731615305919 - 10.3774169559808 split increased to 2 itime 864248 + acceleration/energy drift too large 3.96390719236278 + 15.7313795279113 split increased to 2 itime 868491 itsplit 1 - acceleration/energy drift too large 7.25677976608566 - 13.7519799734021 split increased to 2 itime 865143 + acceleration/energy drift too large 4.49057827341746 + 12.2101803942524 split increased to 2 itime 868802 itsplit 1 - acceleration/energy drift too large 4.24892525517722 - 10.0950234098636 split increased to 2 itime 865614 + acceleration/energy drift too large 4.62268156797011 + 20.3048498331502 split increased to 2 itime 868857 itsplit 1 - acceleration/energy drift too large 6.97936068887209 - 16.1383161993253 split increased to 2 itime 866791 + acceleration/energy drift too large 2.82758781325957 + 10.2157271990151 split increased to 2 itime 868908 itsplit 1 - acceleration/energy drift too large 3.41863373899590 - 19.5395588049961 split increased to 2 itime 867806 + acceleration/energy drift too large 6.13313732025728 + 27.7441966522601 split increased to 2 itime 869179 itsplit 1 - acceleration/energy drift too large 5.23617498550461 - 15.1326931206492 split increased to 2 itime 869259 + acceleration/energy drift too large 3.97648386870646 + 23.2118831220007 split increased to 2 itime 869465 itsplit 1 Velocities reset to random values, time 173999.80 - acceleration/energy drift too large 1.64817884713869 - 10.6718762542544 split increased to 2 itime 871728 - itsplit 1 - acceleration/energy drift too large 2.64991039509377 - 17.2711364361803 split increased to 2 itime 872793 - itsplit 1 - acceleration/energy drift too large 1.60885451060608 - 10.5819203194047 split increased to 2 itime 873183 - itsplit 1 - acceleration/energy drift too large 7.13786809547889 - 20.5851851889687 split increased to 2 itime 874636 + acceleration/energy drift too large 3.95967950728212 + 12.1340881954239 split increased to 2 itime 871300 itsplit 1 - acceleration/energy drift too large 8.74590638146913 - 45.8501577713050 split increased to 2 itime 874890 - itsplit 1 - acceleration/energy drift too large 5.72391699352570 - 13.1322679531432 split increased to 2 itime 875229 - itsplit 1 - acceleration/energy drift too large 5.23245853845938 - 11.8474157976269 split increased to 2 itime 875550 - itsplit 1 - acceleration/energy drift too large 3.90872771482160 - 14.6336002512943 split increased to 2 itime 875955 - itsplit 1 - acceleration/energy drift too large 10.5948759859610 - 72.7415040140564 split increased to 2 itime 876367 - itsplit 1 - acceleration/energy drift too large 2.50743896692760 - 17.5511352358369 split increased to 4 itime 876367 - itsplit 2 - acceleration/energy drift too large 5.45310574325695 - 16.3733096766231 split increased to 2 itime 877410 + acceleration/energy drift too large 6.84088379366927 + 13.5684652273753 split increased to 2 itime 871852 itsplit 1 - acceleration/energy drift too large 4.37473321542774 - 13.8348820175006 split increased to 2 itime 877651 + acceleration/energy drift too large 5.54828041045013 + 16.9373733702985 split increased to 2 itime 875525 itsplit 1 - acceleration/energy drift too large 10.7244023380286 - 50.9336788235978 split increased to 2 itime 878249 + acceleration/energy drift too large 4.06184948608980 + 20.8189093256982 split increased to 2 itime 876200 itsplit 1 - acceleration/energy drift too large 5.18028800254101 - 12.8146896720739 split increased to 2 itime 878316 + acceleration/energy drift too large 6.38806491317628 + 10.4459065025896 split increased to 2 itime 876258 itsplit 1 - acceleration/energy drift too large 7.28666163229163 - 36.9673364947130 split increased to 2 itime 878936 + acceleration/energy drift too large 4.30411225607038 + 18.0917827384928 split increased to 2 itime 877550 itsplit 1 - acceleration/energy drift too large 7.15155495113731 - 22.2206746839901 split increased to 2 itime 879719 + acceleration/energy drift too large 2.94749119836904 + 21.3269540251211 split increased to 2 itime 877734 itsplit 1 Velocities reset to random values, time 175999.80 - acceleration/energy drift too large 3.04155929576440 - 15.4115702151892 split increased to 2 itime 880278 - itsplit 1 - acceleration/energy drift too large 3.16678999519365 - 11.5718368283976 split increased to 2 itime 881270 - itsplit 1 - acceleration/energy drift too large 10.4156698878578 - 36.7099774172981 split increased to 2 itime 882035 - itsplit 1 - acceleration/energy drift too large 5.65693232174793 - 16.0428206416266 split increased to 2 itime 882036 - itsplit 1 - acceleration/energy drift too large 6.83831314791312 - 17.8957234064306 split increased to 2 itime 882067 - itsplit 1 - acceleration/energy drift too large 8.59895810607212 - 32.0850562122842 split increased to 2 itime 882420 - itsplit 1 - acceleration/energy drift too large 4.99202882972358 - 16.0263553552008 split increased to 2 itime 882855 - itsplit 1 - acceleration/energy drift too large 5.88678025580808 - 15.3089865371650 split increased to 2 itime 883118 - itsplit 1 - acceleration/energy drift too large 1.47859703867085 - 10.0326091492983 split increased to 2 itime 883139 - itsplit 1 - acceleration/energy drift too large 4.52501924176382 - 10.7129878632890 split increased to 2 itime 883322 - itsplit 1 - acceleration/energy drift too large 5.48010430901215 - 33.6195967244205 split increased to 2 itime 884599 - itsplit 1 - acceleration/energy drift too large 6.99470321115315 - 16.6770373791266 split increased to 2 itime 884832 - itsplit 1 - acceleration/energy drift too large 4.68005540740358 - 24.8459125306157 split increased to 2 itime 885142 + acceleration/energy drift too large 2.16672268647222 + 10.4816245016139 split increased to 2 itime 880680 itsplit 1 - acceleration/energy drift too large 7.25869158305505 - 29.0120929239644 split increased to 2 itime 885207 + acceleration/energy drift too large 4.86499489226901 + 13.8313415454886 split increased to 2 itime 882516 itsplit 1 - acceleration/energy drift too large 1.51422973819358 - 10.2532439784850 split increased to 2 itime 885950 + acceleration/energy drift too large 5.78521891421254 + 24.0057929736009 split increased to 2 itime 885949 itsplit 1 - acceleration/energy drift too large 6.12418522022765 - 12.9651893813281 split increased to 2 itime 886965 + acceleration/energy drift too large 7.93059285037192 + 22.7091408537575 split increased to 2 itime 886564 itsplit 1 - acceleration/energy drift too large 9.04493472932401 - 67.2062976139063 split increased to 2 itime 888944 + acceleration/energy drift too large 5.12586774710923 + 18.4022433502917 split increased to 2 itime 888384 itsplit 1 Velocities reset to random values, time 177999.80 - acceleration/energy drift too large 5.44279128763719 - 16.1977237804722 split increased to 2 itime 890914 + acceleration/energy drift too large 14.1957988306399 + 83.7309233349541 split increased to 2 itime 892605 itsplit 1 - acceleration/energy drift too large 2.98599176791019 - 11.3821778983402 split increased to 2 itime 891213 - itsplit 1 - acceleration/energy drift too large 3.81286671581420 - 11.3874238264290 split increased to 2 itime 891375 - itsplit 1 - acceleration/energy drift too large 2.28323005572603 - 10.4329197728991 split increased to 2 itime 891376 - itsplit 1 - acceleration/energy drift too large 1.46143319934128 - 10.0810753331585 split increased to 2 itime 891412 - itsplit 1 - acceleration/energy drift too large 5.90860871096849 - 10.7028202187818 split increased to 2 itime 892340 - itsplit 1 - acceleration/energy drift too large 6.23725888954031 - 10.9737767380300 split increased to 2 itime 892750 - itsplit 1 - acceleration/energy drift too large 6.04263429752423 - 11.4192604564588 split increased to 2 itime 893516 - itsplit 1 - acceleration/energy drift too large 1.36363151639066 - 14.9549676243359 split increased to 2 itime 893517 - itsplit 1 - acceleration/energy drift too large 5.80354298981718 - 23.3144240077405 split increased to 2 itime 893891 - itsplit 1 - acceleration/energy drift too large 5.53705885327489 - 13.1404589373159 split increased to 2 itime 894303 - itsplit 1 - acceleration/energy drift too large 5.57505344970647 - 35.0291608743835 split increased to 2 itime 894439 - itsplit 1 - acceleration/energy drift too large 4.73560323769449 - 10.2343307646691 split increased to 2 itime 894518 - itsplit 1 - acceleration/energy drift too large 2.34188372422203 - 10.1090542080905 split increased to 2 itime 894521 - itsplit 1 - acceleration/energy drift too large 2.33312511256594 - 14.3259697837337 split increased to 2 itime 895362 - itsplit 1 - acceleration/energy drift too large 4.20299671115865 - 12.4012410490702 split increased to 2 itime 896398 - itsplit 1 - acceleration/energy drift too large 8.18465640607453 - 21.9271982563789 split increased to 2 itime 897851 - itsplit 1 - acceleration/energy drift too large 3.32741619794941 - 10.7680615037247 split increased to 2 itime 897927 - itsplit 1 - acceleration/energy drift too large 3.40967899146859 - 13.8536590808121 split increased to 2 itime 897942 - itsplit 1 - acceleration/energy drift too large 5.03182055004415 - 18.5305579767087 split increased to 2 itime 897952 - itsplit 1 - acceleration/energy drift too large 1.12732609478702 - 10.7766841754608 split increased to 2 itime 897953 - itsplit 1 - acceleration/energy drift too large 7.84260083417092 - 20.1209981965304 split increased to 2 itime 898205 - itsplit 1 - acceleration/energy drift too large 6.21848528036386 - 12.2787210214647 split increased to 2 itime 898539 + acceleration/energy drift too large 2.63291726257252 + 11.8734554480515 split increased to 4 itime 892605 + itsplit 2 + acceleration/energy drift too large 7.07426533738856 + 14.1484554270492 split increased to 2 itime 892781 itsplit 1 - acceleration/energy drift too large 2.98359369610689 - 18.5638003096556 split increased to 2 itime 898540 + acceleration/energy drift too large 4.58269544360829 + 10.6542840724855 split increased to 2 itime 894248 itsplit 1 - acceleration/energy drift too large 3.43442930017535 - 18.8735192206141 split increased to 2 itime 898880 + acceleration/energy drift too large 7.44922169071775 + 25.1294768049739 split increased to 2 itime 894683 itsplit 1 - acceleration/energy drift too large 5.74268209119594 - 11.9353856039829 split increased to 2 itime 899039 + acceleration/energy drift too large 4.91173938389667 + 12.9780056053374 split increased to 2 itime 894698 itsplit 1 - acceleration/energy drift too large 3.90910844791614 - 11.3188741676049 split increased to 2 itime 899048 + acceleration/energy drift too large 1.87724879000168 + 10.9052408931456 split increased to 2 itime 894940 itsplit 1 - acceleration/energy drift too large 5.31330945388802 - 11.5642423734856 split increased to 2 itime 899110 + acceleration/energy drift too large 3.98317317396835 + 11.4700191857306 split increased to 2 itime 896193 itsplit 1 - acceleration/energy drift too large 3.24956281672921 - 10.5742889055526 split increased to 2 itime 899205 + acceleration/energy drift too large 4.84819647043968 + 17.7940787249061 split increased to 2 itime 897436 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= 299.007812500000 0.000000000000000E+000 + REMD gather times= 372.859375000000 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 0.22222 9 -ACC 2 260.00000 0.33333 9 -ACC 3 270.00000 0.22222 9 -ACC 4 280.00000 0.33333 9 +ACC 1 250.00000 0.44444 9 +ACC 2 260.00000 0.22222 9 +ACC 3 270.00000 0.44444 9 +ACC 4 280.00000 0.22222 9 ACC 5 290.00000 0.44444 9 ACC 6 300.00000 0.66667 9 -ACC 7 310.00000 0.77778 9 -ACC 8 320.00000 0.44444 9 -ACC 9 330.00000 0.44444 9 -ACC 10 340.00000 0.66667 9 +ACC 7 310.00000 0.66667 9 +ACC 8 320.00000 0.66667 9 +ACC 9 330.00000 0.33333 9 +ACC 10 340.00000 0.88889 9 ACC 11 350.00000 0.66667 9 -ACC 12 360.00000 0.77778 9 +ACC 12 360.00000 0.88889 9 ACC 13 370.00000 0.88889 9 -ACC 14 380.00000 0.55556 9 +ACC 14 380.00000 0.66667 9 ACC 15 390.00000 1.00000 9 REMD scatter time= 0.000000000000000E+000 - REMD exchange time= 3.906250000000000E-003 - acceleration/energy drift too large 4.82368802921549 - 13.6421628756562 split increased to 2 itime 900765 - itsplit 1 - acceleration/energy drift too large 5.98052998246538 - 23.1274777474374 split increased to 2 itime 900873 + REMD exchange time= 7.812500000000000E-003 + acceleration/energy drift too large 6.80307774896243 + 19.3124234088704 split increased to 2 itime 900852 itsplit 1 - acceleration/energy drift too large 6.80893839204201 - 16.8767214582349 split increased to 2 itime 901034 + acceleration/energy drift too large 4.41154721779829 + 11.0660768588015 split increased to 2 itime 901213 itsplit 1 - acceleration/energy drift too large 10.6144134483369 - 66.0966577666819 split increased to 2 itime 902080 + acceleration/energy drift too large 8.27127214247565 + 21.9395778634232 split increased to 2 itime 902039 itsplit 1 - acceleration/energy drift too large 5.44445353846461 - 19.1256863761353 split increased to 2 itime 902374 + acceleration/energy drift too large 8.04958420189117 + 18.8430910280835 split increased to 2 itime 902121 itsplit 1 - acceleration/energy drift too large 9.18859165711041 - 23.8166355527368 split increased to 2 itime 903471 + acceleration/energy drift too large 6.51438711553797 + 28.2327236815445 split increased to 2 itime 902368 itsplit 1 - acceleration/energy drift too large 5.85708958701127 - 15.1951721161878 split increased to 2 itime 903536 + acceleration/energy drift too large 8.42263868759753 + 24.8944174479372 split increased to 2 itime 902460 itsplit 1 - acceleration/energy drift too large 2.99308965698921 - 11.2332940109566 split increased to 2 itime 905714 + acceleration/energy drift too large 11.3588797307148 + 57.0539232532797 split increased to 2 itime 904588 itsplit 1 - acceleration/energy drift too large 4.22094657305750 - 14.5803227366630 split increased to 2 itime 907752 + acceleration/energy drift too large 5.40442018878542 + 14.1542559605059 split increased to 2 itime 906407 itsplit 1 - acceleration/energy drift too large 12.1125803036138 - 65.7642358608055 split increased to 2 itime 907774 + acceleration/energy drift too large 9.47818274991936 + 41.9312323581368 split increased to 2 itime 907492 itsplit 1 Velocities reset to random values, time 181999.80 - acceleration/energy drift too large 5.67335372256489 - 10.7714139643284 split increased to 2 itime 910871 - itsplit 1 - acceleration/energy drift too large 2.72854967366822 - 10.2607538913406 split increased to 2 itime 911036 - itsplit 1 - acceleration/energy drift too large 5.36953982367223 - 19.4697687649785 split increased to 2 itime 911565 - itsplit 1 - acceleration/energy drift too large 2.30019881623473 - 10.8441282903030 split increased to 2 itime 911722 - itsplit 1 - acceleration/energy drift too large 1.72576940666181 - 10.4306281248040 split increased to 2 itime 911854 - itsplit 1 - acceleration/energy drift too large 5.97119343970760 - 13.6745495033832 split increased to 2 itime 913960 + acceleration/energy drift too large 4.14041007131799 + 13.6884763974237 split increased to 2 itime 910797 itsplit 1 - acceleration/energy drift too large 3.23890084580720 - 11.1383210881814 split increased to 2 itime 914084 + acceleration/energy drift too large 8.96247910550203 + 38.3774101640457 split increased to 2 itime 911992 itsplit 1 - acceleration/energy drift too large 2.07903286224359 - 10.7640139455406 split increased to 2 itime 914088 + acceleration/energy drift too large 5.19225712594980 + 14.1218085635234 split increased to 2 itime 913992 itsplit 1 - acceleration/energy drift too large 2.48672531371296 - 10.0195037052556 split increased to 2 itime 914134 + acceleration/energy drift too large 1.55020123013803 + 11.2603696584587 split increased to 2 itime 913993 itsplit 1 - acceleration/energy drift too large 1.94400968237028 - 10.3761621998616 split increased to 2 itime 914150 + acceleration/energy drift too large 3.67467600152415 + 11.1308439544382 split increased to 2 itime 918188 itsplit 1 - acceleration/energy drift too large 2.43758128430592 - 11.7363531989760 split increased to 2 itime 918845 - itsplit 1 - acceleration/energy drift too large 6.26722537433831 - 14.0925551871593 split increased to 2 itime 919566 + acceleration/energy drift too large 5.87543829487982 + 17.5936735137630 split increased to 2 itime 919424 itsplit 1 Velocities reset to random values, time 183999.80 - acceleration/energy drift too large 6.37109564253421 - 17.9572166793548 split increased to 2 itime 921389 + acceleration/energy drift too large 6.89439736087552 + 20.5707366508991 split increased to 2 itime 922987 itsplit 1 - acceleration/energy drift too large 12.4659339423661 - 65.8059027794830 split increased to 2 itime 922339 + acceleration/energy drift too large 3.39125331269946 + 10.1833163787719 split increased to 2 itime 922988 itsplit 1 - acceleration/energy drift too large 10.0182211429363 - 40.8104012668853 split increased to 2 itime 925388 + acceleration/energy drift too large 2.67253249615859 + 10.8159939168896 split increased to 2 itime 924897 itsplit 1 - acceleration/energy drift too large 2.63723618003640 - 10.4583400064920 split increased to 2 itime 925389 + acceleration/energy drift too large 5.63880238100149 + 16.2900850294096 split increased to 2 itime 925341 itsplit 1 - acceleration/energy drift too large 8.33987894753547 - 46.7863826128733 split increased to 2 itime 928034 + acceleration/energy drift too large 2.79653612917923 + 13.8830502464221 split increased to 2 itime 926200 itsplit 1 - acceleration/energy drift too large 21.0372398424032 - 134.920848471675 split increased to 2 itime 928592 + acceleration/energy drift too large 5.12768293050376 + 21.6436258575712 split increased to 2 itime 927567 itsplit 1 - acceleration/energy drift too large 5.80514845769977 - 13.5020855326688 split increased to 2 itime 929906 + acceleration/energy drift too large 4.07367099570602 + 10.9138107040253 split increased to 2 itime 928469 itsplit 1 Velocities reset to random values, time 185999.80 - acceleration/energy drift too large 13.2024682519722 - 53.2875104508250 split increased to 2 itime 930585 - itsplit 1 - acceleration/energy drift too large 7.88818797561089 - 28.2728988325523 split increased to 2 itime 932633 - itsplit 1 - acceleration/energy drift too large 8.72042223669646 - 29.4169786639350 split increased to 2 itime 932968 - itsplit 1 - acceleration/energy drift too large 7.36421582873760 - 18.4217453222693 split increased to 2 itime 932970 - itsplit 1 - acceleration/energy drift too large 5.74482303346187 - 17.1430252974376 split increased to 2 itime 933678 - itsplit 1 - acceleration/energy drift too large 4.74471171677820 - 20.5466929330079 split increased to 2 itime 933679 + acceleration/energy drift too large 7.38307613328744 + 11.1803944772985 split increased to 2 itime 931547 itsplit 1 - acceleration/energy drift too large 8.40174722963854 - 44.8172797133941 split increased to 2 itime 935686 + acceleration/energy drift too large 9.14661026599905 + 14.4104795419354 split increased to 2 itime 931700 itsplit 1 - acceleration/energy drift too large 5.60457915161304 - 10.9644537331276 split increased to 2 itime 935786 + acceleration/energy drift too large 4.57433378377475 + 14.0926698849211 split increased to 2 itime 933579 itsplit 1 - acceleration/energy drift too large 13.2132124291398 - 62.2035986886151 split increased to 2 itime 936814 + acceleration/energy drift too large 2.66122761670839 + 24.9114328568537 split increased to 2 itime 934035 itsplit 1 - acceleration/energy drift too large 3.60528580622789 - 17.7137845884595 split increased to 4 itime 936814 + acceleration/energy drift too large 5.57563407996959 + 11.8984071730631 split increased to 2 itime 935637 itsplit 1 - acceleration/energy drift too large 7.08029758737763 - 15.8637557271129 split increased to 2 itime 936903 + acceleration/energy drift too large 4.48459049309447 + 21.5845871712041 split increased to 2 itime 936817 itsplit 1 - acceleration/energy drift too large 5.05349395998550 - 11.2097909864813 split increased to 2 itime 936904 + acceleration/energy drift too large 2.68358932477076 + 10.1169163748936 split increased to 2 itime 936886 itsplit 1 - acceleration/energy drift too large 2.60808895022167 - 12.8740694705739 split increased to 2 itime 936923 + acceleration/energy drift too large 3.86002415528629 + 12.7298671994907 split increased to 2 itime 936949 itsplit 1 - acceleration/energy drift too large 1.57421680792501 - 10.6238085654930 split increased to 2 itime 936931 + acceleration/energy drift too large 10.6806997240932 + 48.8333433889083 split increased to 2 itime 936978 itsplit 1 - acceleration/energy drift too large 2.90669351288654 - 13.0830267837424 split increased to 2 itime 936936 - itsplit 1 - acceleration/energy drift too large 2.78610607919842 - 11.0885667120968 split increased to 2 itime 936990 - itsplit 1 - acceleration/energy drift too large 1.88505880123517 - 11.0967573009299 split increased to 2 itime 937003 - itsplit 1 - acceleration/energy drift too large 2.69506251547563 - 11.9734211769229 split increased to 2 itime 937019 - itsplit 1 - acceleration/energy drift too large 5.78895928181942 - 11.1239681782119 split increased to 2 itime 937255 - itsplit 1 - acceleration/energy drift too large 4.48012726678586 - 13.1635129760172 split increased to 2 itime 937256 - itsplit 1 - acceleration/energy drift too large 2.76565816339475 - 10.1199897612422 split increased to 2 itime 937277 - itsplit 1 - acceleration/energy drift too large 4.98721106778551 - 13.7651969613067 split increased to 2 itime 938036 - itsplit 1 - acceleration/energy drift too large 0.923091925374798 - 10.4479663855157 split increased to 2 itime 938321 - itsplit 1 - acceleration/energy drift too large 11.9504641933095 - 80.5931812193447 split increased to 2 itime 938369 - itsplit 1 - acceleration/energy drift too large 4.99217377897964 - 11.6159104143042 split increased to 2 itime 939148 - itsplit 1 - acceleration/energy drift too large 3.54988762112421 - 28.3011797768066 split increased to 2 itime 939187 + acceleration/energy drift too large 4.25858380303147 + 10.2062387533218 split increased to 2 itime 939117 itsplit 1 Velocities reset to random values, time 187999.80 - acceleration/energy drift too large 6.92865329939945 - 11.4822849825533 split increased to 2 itime 940285 - itsplit 1 - acceleration/energy drift too large 2.62793706555398 - 14.9958395222445 split increased to 2 itime 940344 + acceleration/energy drift too large 2.99806815885491 + 10.3670993394339 split increased to 2 itime 941410 itsplit 1 - acceleration/energy drift too large 5.70367793058562 - 10.5875374534005 split increased to 2 itime 940746 + acceleration/energy drift too large 6.95995718760027 + 17.0907910219986 split increased to 2 itime 941428 itsplit 1 - acceleration/energy drift too large 4.44116196247668 - 12.1228989146526 split increased to 2 itime 940922 + acceleration/energy drift too large 3.96477544687776 + 11.0157340013351 split increased to 2 itime 942812 itsplit 1 - acceleration/energy drift too large 8.18312541026125 - 19.8339467138795 split increased to 2 itime 940931 + acceleration/energy drift too large 2.78560378511364 + 11.6323713086335 split increased to 2 itime 943624 itsplit 1 - acceleration/energy drift too large 6.98736707156805 - 18.2824841963795 split increased to 2 itime 943623 + acceleration/energy drift too large 1.97221965443574 + 10.6949309918516 split increased to 2 itime 943644 itsplit 1 - acceleration/energy drift too large 5.14910493346517 - 13.9451924775376 split increased to 2 itime 944679 + acceleration/energy drift too large 3.64464312294482 + 11.3120479758894 split increased to 2 itime 943652 itsplit 1 - acceleration/energy drift too large 4.36359686208472 - 16.2828561376254 split increased to 2 itime 945318 + acceleration/energy drift too large 2.17215144108547 + 10.4015522824314 split increased to 2 itime 943664 itsplit 1 - acceleration/energy drift too large 4.58080211106113 - 10.4122380122154 split increased to 2 itime 945882 + acceleration/energy drift too large 7.54008567621025 + 21.1876185890778 split increased to 2 itime 947556 itsplit 1 - acceleration/energy drift too large 1.70145483633355 - 10.0130354513207 split increased to 2 itime 946192 - itsplit 1 - acceleration/energy drift too large 3.11471235612131 - 11.4619429889393 split increased to 2 itime 946213 - itsplit 1 - acceleration/energy drift too large 16.3556721211434 - 101.717028494778 split increased to 2 itime 946267 - itsplit 1 - acceleration/energy drift too large 3.70337056158655 - 12.5959285066431 split increased to 2 itime 946270 - itsplit 1 - acceleration/energy drift too large 6.86864906207358 - 20.6828336704770 split increased to 2 itime 946631 - itsplit 1 - acceleration/energy drift too large 4.18051476063413 - 11.5707611261808 split increased to 2 itime 947163 - itsplit 1 - acceleration/energy drift too large 7.05720366098287 - 18.2206261696807 split increased to 2 itime 947792 + acceleration/energy drift too large 11.9230373309006 + 60.5829946916903 split increased to 2 itime 948426 itsplit 1 Velocities reset to random values, time 189999.80 - acceleration/energy drift too large 10.3946553630481 - 45.7815968087870 split increased to 2 itime 950378 + acceleration/energy drift too large 6.06250980515307 + 13.5866356014714 split increased to 2 itime 951686 itsplit 1 - acceleration/energy drift too large 2.86368993728489 - 17.2523196750700 split increased to 2 itime 950385 + acceleration/energy drift too large 2.12344590097711 + 12.3837011834801 split increased to 2 itime 951687 itsplit 1 - acceleration/energy drift too large 5.40755585567915 - 10.3735161976082 split increased to 2 itime 953798 + acceleration/energy drift too large 4.81968949558441 + 13.3788454534942 split increased to 2 itime 952513 itsplit 1 - acceleration/energy drift too large 5.77047333974896 - 16.1525516184645 split increased to 2 itime 954348 + acceleration/energy drift too large 4.51771913971148 + 24.2126892886667 split increased to 2 itime 955166 itsplit 1 - acceleration/energy drift too large 7.98359286281212 - 39.3268353467163 split increased to 2 itime 954537 + acceleration/energy drift too large 5.22078357207322 + 12.4267415109033 split increased to 2 itime 955995 itsplit 1 - acceleration/energy drift too large 4.60124924946029 - 16.0312740792313 split increased to 2 itime 955466 + acceleration/energy drift too large 2.54677460115570 + 11.6134852033933 split increased to 2 itime 958855 itsplit 1 - acceleration/energy drift too large 5.69492507498257 - 19.4703844221067 split increased to 2 itime 956291 + acceleration/energy drift too large 8.10787151072794 + 15.6697666769298 split increased to 2 itime 959052 itsplit 1 - acceleration/energy drift too large 2.18141982694780 - 10.6734477491512 split increased to 2 itime 958093 - itsplit 1 - acceleration/energy drift too large 5.83724784612768 - 13.6108079418441 split increased to 2 itime 959899 + acceleration/energy drift too large 7.04072136801924 + 13.8436660350887 split increased to 2 itime 959064 itsplit 1 Velocities reset to random values, time 191999.80 - acceleration/energy drift too large 20.5649512047831 - 134.715368413637 split increased to 2 itime 960316 - itsplit 1 - acceleration/energy drift too large 4.95051319496715 - 32.4978314685220 split increased to 4 itime 960316 - itsplit 2 - acceleration/energy drift too large 6.50253993981921 - 12.1961460232320 split increased to 2 itime 960383 - itsplit 1 - acceleration/energy drift too large 6.44134358301477 - 14.1929884775347 split increased to 2 itime 960388 - itsplit 1 - acceleration/energy drift too large 4.35892798912716 - 13.4506961528893 split increased to 2 itime 960397 - itsplit 1 - acceleration/energy drift too large 4.43858552011945 - 10.3294839203793 split increased to 2 itime 960410 + acceleration/energy drift too large 4.03928217835760 + 10.1170361144387 split increased to 2 itime 960653 itsplit 1 - acceleration/energy drift too large 4.15316840105718 - 10.4953123018953 split increased to 2 itime 960636 + acceleration/energy drift too large 1.76534673599795 + 13.3132309790743 split increased to 2 itime 961547 itsplit 1 - acceleration/energy drift too large 6.53245873010942 - 27.6205655379361 split increased to 2 itime 961035 + acceleration/energy drift too large 2.45359165847183 + 12.5303780656618 split increased to 2 itime 961548 itsplit 1 - acceleration/energy drift too large 2.69243138114990 - 13.8401358595307 split increased to 2 itime 961365 + acceleration/energy drift too large 4.18587959210560 + 11.7105194463004 split increased to 2 itime 962421 itsplit 1 - acceleration/energy drift too large 4.93459934784578 - 13.2466894552516 split increased to 2 itime 961735 + acceleration/energy drift too large 2.97981664943223 + 19.8803368857843 split increased to 2 itime 963065 itsplit 1 - acceleration/energy drift too large 2.70109183263436 - 11.1469128486016 split increased to 2 itime 961736 + acceleration/energy drift too large 6.30789144398029 + 18.7157557059132 split increased to 2 itime 963551 itsplit 1 - acceleration/energy drift too large 3.60378655464716 - 11.1066913652944 split increased to 2 itime 961775 + acceleration/energy drift too large 5.11699708651645 + 11.4790181720050 split increased to 2 itime 963664 itsplit 1 - acceleration/energy drift too large 3.33023680871942 - 12.5205693786355 split increased to 2 itime 962719 + acceleration/energy drift too large 5.87497660521767 + 22.3171823535461 split increased to 2 itime 964148 itsplit 1 - acceleration/energy drift too large 6.79238801390474 - 12.6895509681715 split increased to 2 itime 964525 + acceleration/energy drift too large 2.97653781375550 + 21.1442853290830 split increased to 2 itime 964820 itsplit 1 - acceleration/energy drift too large 9.21473621211364 - 41.7158791247634 split increased to 2 itime 964956 + acceleration/energy drift too large 3.63473393819300 + 10.1700217763226 split increased to 2 itime 967154 itsplit 1 - acceleration/energy drift too large 2.74929871068298 - 11.6129210296265 split increased to 2 itime 965669 + acceleration/energy drift too large 10.7041710437672 + 54.8906400960495 split increased to 2 itime 968155 itsplit 1 - acceleration/energy drift too large 2.55751164724648 - 10.6758967733924 split increased to 2 itime 965705 - itsplit 1 - acceleration/energy drift too large 3.54157965977888 - 18.1537895132643 split increased to 2 itime 966314 - itsplit 1 - acceleration/energy drift too large 2.93756061764260 - 10.6379725872133 split increased to 2 itime 966500 - itsplit 1 - acceleration/energy drift too large 3.87164393659944 - 11.1006718370923 split increased to 2 itime 967104 - itsplit 1 - acceleration/energy drift too large 7.09124613676612 - 15.7105709560608 split increased to 2 itime 969343 + acceleration/energy drift too large 2.37077394741869 + 13.1446481682347 split increased to 2 itime 969729 itsplit 1 Velocities reset to random values, time 193999.80 - acceleration/energy drift too large 5.79809675570323 - 21.7378482413924 split increased to 2 itime 970719 - itsplit 1 - acceleration/energy drift too large 6.56416158729075 - 31.5275976749552 split increased to 2 itime 972715 - itsplit 1 - acceleration/energy drift too large 6.91328263593610 - 17.1086730499726 split increased to 2 itime 973213 + acceleration/energy drift too large 2.51683209829565 + 13.7103742175068 split increased to 2 itime 970048 itsplit 1 - acceleration/energy drift too large 3.33847483385844 - 12.7974971721947 split increased to 2 itime 974162 + acceleration/energy drift too large 2.47129543399149 + 12.7009963135846 split increased to 2 itime 970969 itsplit 1 - acceleration/energy drift too large 4.56642468215192 - 15.6819225036248 split increased to 2 itime 974600 + acceleration/energy drift too large 4.34902140828444 + 15.6155927190299 split increased to 2 itime 971020 itsplit 1 - acceleration/energy drift too large 3.04932828794360 - 23.2367218393294 split increased to 2 itime 975769 + acceleration/energy drift too large 2.27334650823075 + 11.1697735787551 split increased to 2 itime 971056 itsplit 1 - acceleration/energy drift too large 5.49600415458044 - 38.0401851899870 split increased to 2 itime 976041 + acceleration/energy drift too large 7.03050146862214 + 20.7278137426450 split increased to 2 itime 971289 itsplit 1 - acceleration/energy drift too large 3.00962995967830 - 14.9941943149147 split increased to 2 itime 976744 + acceleration/energy drift too large 2.82355440155670 + 10.7175078002837 split increased to 2 itime 971329 itsplit 1 - acceleration/energy drift too large 4.82735512356622 - 23.7754968482281 split increased to 2 itime 977268 + acceleration/energy drift too large 1.74196085390996 + 10.0783949574867 split increased to 2 itime 971404 itsplit 1 - acceleration/energy drift too large 5.28695172418724 - 10.2103400580465 split increased to 2 itime 977743 + acceleration/energy drift too large 2.64241839419164 + 10.3992457144291 split increased to 2 itime 971456 itsplit 1 - acceleration/energy drift too large 6.82973346182547 - 19.2601452094172 split increased to 2 itime 978248 + acceleration/energy drift too large 2.79979766757045 + 10.0970445429678 split increased to 2 itime 971461 itsplit 1 - acceleration/energy drift too large 7.34499580150634 - 22.3818324423913 split increased to 2 itime 978601 + acceleration/energy drift too large 7.28424350355136 + 27.9143801763084 split increased to 2 itime 974239 itsplit 1 - acceleration/energy drift too large 4.17722657933207 - 11.6966611800133 split increased to 2 itime 978686 + acceleration/energy drift too large 6.77088601301388 + 17.8048840964558 split increased to 2 itime 974768 itsplit 1 -Velocities reset to random values, time 195999.80 - acceleration/energy drift too large 9.79631273152222 - 44.7981053851691 split increased to 2 itime 980537 - itsplit 1 - acceleration/energy drift too large 5.35527741767722 - 12.2585824378987 split increased to 2 itime 981156 - itsplit 1 - acceleration/energy drift too large 2.31600135654920 - 17.0487953303807 split increased to 2 itime 981157 + acceleration/energy drift too large 3.41386834696525 + 18.7708967601219 split increased to 2 itime 975371 itsplit 1 - acceleration/energy drift too large 16.9278348650945 - 100.156528831723 split increased to 2 itime 981456 + acceleration/energy drift too large 5.64915319002032 + 19.7791371229969 split increased to 2 itime 976398 itsplit 1 - acceleration/energy drift too large 3.59784435033988 - 18.6213091640340 split increased to 2 itime 981624 + acceleration/energy drift too large 2.19824426915873 + 13.7488292455081 split increased to 2 itime 976399 itsplit 1 - acceleration/energy drift too large 5.07002279710988 - 24.9796199771663 split increased to 2 itime 981870 + acceleration/energy drift too large 3.40026348768391 + 11.6355733357343 split increased to 2 itime 977211 itsplit 1 - acceleration/energy drift too large 18.0386805313001 - 101.252454451581 split increased to 2 itime 983100 + acceleration/energy drift too large 4.62967632892734 + 25.9496933402413 split increased to 2 itime 977298 itsplit 1 - acceleration/energy drift too large 4.26570693109808 - 12.1164357680677 split increased to 2 itime 983545 + acceleration/energy drift too large 4.25437884762082 + 12.7948437978389 split increased to 2 itime 977367 itsplit 1 - acceleration/energy drift too large 6.36053851009990 - 14.1828870345112 split increased to 2 itime 984806 + acceleration/energy drift too large 9.94726087019807 + 31.8640676380020 split increased to 2 itime 979575 itsplit 1 - acceleration/energy drift too large 5.69526329989561 - 11.2653727455500 split increased to 2 itime 985209 + acceleration/energy drift too large 8.40906112675185 + 23.8825372491426 split increased to 2 itime 979666 itsplit 1 - acceleration/energy drift too large 7.84097513330115 - 18.1059462194318 split increased to 2 itime 986539 + acceleration/energy drift too large 4.92768374585870 + 11.8255044210021 split increased to 2 itime 979974 itsplit 1 - acceleration/energy drift too large 6.82660339043928 - 27.5577241300079 split increased to 2 itime 986681 +Velocities reset to random values, time 195999.80 + acceleration/energy drift too large 7.19092710727202 + 21.4155174017609 split increased to 2 itime 980160 itsplit 1 - acceleration/energy drift too large 5.00887794572484 - 10.9137786957706 split increased to 2 itime 987058 + acceleration/energy drift too large 8.83714967451627 + 13.6365806970922 split increased to 2 itime 980182 itsplit 1 - acceleration/energy drift too large 5.37489105492226 - 14.7933437916205 split increased to 2 itime 988822 + acceleration/energy drift too large 6.33340887021015 + 14.4224467611517 split increased to 2 itime 980385 itsplit 1 - acceleration/energy drift too large 6.38363051258052 - 11.7961625988396 split increased to 2 itime 988899 + acceleration/energy drift too large 6.13045624251346 + 15.4198344809008 split increased to 2 itime 980497 itsplit 1 - acceleration/energy drift too large 6.09571272777788 - 10.9097328663435 split increased to 2 itime 989436 + acceleration/energy drift too large 3.47999039597566 + 15.6363206461745 split increased to 4 itime 980497 itsplit 1 - acceleration/energy drift too large 4.88233111833118 - 13.1355262665850 split increased to 2 itime 989437 + acceleration/energy drift too large 9.69278117428418 + 29.5493747110829 split increased to 2 itime 980816 itsplit 1 -Velocities reset to random values, time 197999.80 - acceleration/energy drift too large 6.45937227896111 - 12.4014362998550 split increased to 2 itime 990049 + acceleration/energy drift too large 2.88338361369947 + 10.5330328744217 split increased to 2 itime 981025 itsplit 1 - acceleration/energy drift too large 8.44443526310172 - 21.8259089982040 split increased to 2 itime 990238 + acceleration/energy drift too large 1.75623295445173 + 10.0149509658342 split increased to 2 itime 981075 itsplit 1 - acceleration/energy drift too large 4.15198521348158 - 11.3841048992642 split increased to 2 itime 990300 + acceleration/energy drift too large 5.90602929463566 + 15.7916821896797 split increased to 2 itime 981966 itsplit 1 - acceleration/energy drift too large 6.87585943391609 - 20.0924402965460 split increased to 2 itime 990326 + acceleration/energy drift too large 6.62225656027006 + 18.2322309048501 split increased to 2 itime 985370 itsplit 1 - acceleration/energy drift too large 4.64008693769738 - 11.7873493510150 split increased to 2 itime 990335 + acceleration/energy drift too large 2.43500865576060 + 10.3662887311496 split increased to 2 itime 985510 itsplit 1 - acceleration/energy drift too large 6.92521766370252 - 20.8247225340197 split increased to 2 itime 990358 + acceleration/energy drift too large 1.83401550880990 + 10.0080430305350 split increased to 2 itime 985535 itsplit 1 - acceleration/energy drift too large 7.97906466613594 - 26.9169588127688 split increased to 2 itime 990468 + acceleration/energy drift too large 6.00730096517442 + 16.1516098305455 split increased to 2 itime 986308 itsplit 1 - acceleration/energy drift too large 6.76654827642853 - 18.6070662507973 split increased to 2 itime 990706 + acceleration/energy drift too large 9.54776854687486 + 31.2729096382561 split increased to 2 itime 986618 itsplit 1 - acceleration/energy drift too large 1.93643402696513 - 11.5307819249446 split increased to 2 itime 991544 + acceleration/energy drift too large 1.71904169356812 + 12.9418097180014 split increased to 2 itime 986619 itsplit 1 - acceleration/energy drift too large 8.11243185777254 - 46.5351456509057 split increased to 2 itime 992799 + acceleration/energy drift too large 3.87813960977231 + 17.4025074019065 split increased to 2 itime 987731 itsplit 1 - acceleration/energy drift too large 2.07194747691045 - 10.5073256515869 split increased to 2 itime 993279 + acceleration/energy drift too large 6.84591415884719 + 30.2275212768287 split increased to 2 itime 988481 itsplit 1 - acceleration/energy drift too large 6.58702300177252 - 16.0689055943990 split increased to 2 itime 994185 + acceleration/energy drift too large 3.31590013256418 + 12.3335526564077 split increased to 2 itime 988541 itsplit 1 - acceleration/energy drift too large 2.38741619215232 - 10.4985549579804 split increased to 2 itime 994812 + acceleration/energy drift too large 5.20933045288123 + 10.8296380310782 split increased to 2 itime 988706 itsplit 1 - acceleration/energy drift too large 7.04936725061493 - 22.3586998263541 split increased to 2 itime 994934 + acceleration/energy drift too large 3.31087648100204 + 22.9818506843464 split increased to 2 itime 989255 itsplit 1 - acceleration/energy drift too large 2.52390664567544 - 14.9951271877293 split increased to 2 itime 995056 +Velocities reset to random values, time 197999.80 + acceleration/energy drift too large 9.11256032554574 + 39.9633884874971 split increased to 2 itime 991843 itsplit 1 - acceleration/energy drift too large 2.36550346214416 - 15.4781009056042 split increased to 2 itime 995379 + acceleration/energy drift too large 2.79671407956713 + 11.0466130770807 split increased to 2 itime 995399 itsplit 1 - acceleration/energy drift too large 1.84701022052493 - 17.6382335341853 split increased to 2 itime 995704 + acceleration/energy drift too large 3.32735704281660 + 26.0476439871136 split increased to 2 itime 995850 itsplit 1 - acceleration/energy drift too large 1.91443815475092 - 11.5809003734341 split increased to 2 itime 995708 + acceleration/energy drift too large 5.70606494329088 + 18.9232877605009 split increased to 2 itime 996165 itsplit 1 - acceleration/energy drift too large 2.46266839065221 - 15.2083691587269 split increased to 2 itime 995713 + acceleration/energy drift too large 2.15313495296238 + 10.7163317384939 split increased to 2 itime 997693 itsplit 1 - acceleration/energy drift too large 2.68861612893014 - 10.7539964415590 split increased to 2 itime 995900 + acceleration/energy drift too large 3.52595136620705 + 15.6035016261854 split increased to 2 itime 997746 itsplit 1 - acceleration/energy drift too large 11.8422838541175 - 51.2133965489028 split increased to 2 itime 996163 + acceleration/energy drift too large 2.95330354173708 + 10.6437617973183 split increased to 2 itime 997894 itsplit 1 - acceleration/energy drift too large 12.2713475104519 - 57.0841537923038 split increased to 2 itime 996269 + acceleration/energy drift too large 4.95726442868944 + 11.3582533885453 split increased to 2 itime 998796 itsplit 1 - acceleration/energy drift too large 3.88864102064865 - 21.5518251888305 split increased to 4 itime 996269 + acceleration/energy drift too large 13.3049159475383 + 61.0775050886759 split increased to 2 itime 998832 itsplit 1 - acceleration/energy drift too large 2.90501586657126 - 11.0613783374880 split increased to 2 itime 998744 + acceleration/energy drift too large 2.55159374061974 + 24.5946327373787 split increased to 2 itime 998833 itsplit 1 - acceleration/energy drift too large 3.15445633832160 - 18.7205079903522 split increased to 2 itime 998792 + acceleration/energy drift too large 4.59810549927951 + 12.5766521811184 split increased to 2 itime 998836 itsplit 1 - acceleration/energy drift too large 7.05952408139258 - 16.4341255421737 split increased to 2 itime 999843 + acceleration/energy drift too large 3.53113800926296 + 10.4074034296021 split increased to 2 itime 998951 itsplit 1 - acceleration/energy drift too large 2.47601394342145 - 10.0446178545671 split increased to 2 itime 999844 + acceleration/energy drift too large 6.00947711161932 + 13.4096161189907 split increased to 2 itime 999302 itsplit 1 Velocities reset to random values, time 199999.80 REMD synchro at 1000000 @@ -3774,12 +3543,12 @@ Velocities reset to random values, time 199999.80 =================================== Timing =================================== MD calculations setup: 3.90625E-03 - Energy & gradient evaluation: 3.10430E+02 + Energy & gradient evaluation: 3.78145E+02 Stochastic MD setup: 0.00000E+00 Stochastic MD step setup: 0.00000E+00 - MD steps: 3.31941E+02 + MD steps: 4.14180E+02 ============================ End of MD calculation =========================== CG processor 0 is finishing work. - Total wall clock time 331.957031250000 sec + Total wall clock time 414.195312500000 sec