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
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
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
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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
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itsplit 1
- acceleration/energy drift too large 4.93459934784578
- 13.2466894552516 split increased to 2 itime 961735
+ acceleration/energy drift too large 2.97981664943223
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itsplit 1
- acceleration/energy drift too large 2.70109183263436
- 11.1469128486016 split increased to 2 itime 961736
+ acceleration/energy drift too large 6.30789144398029
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itsplit 1
- acceleration/energy drift too large 3.60378655464716
- 11.1066913652944 split increased to 2 itime 961775
+ acceleration/energy drift too large 5.11699708651645
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itsplit 1
- acceleration/energy drift too large 3.33023680871942
- 12.5205693786355 split increased to 2 itime 962719
+ acceleration/energy drift too large 5.87497660521767
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itsplit 1
- acceleration/energy drift too large 6.79238801390474
- 12.6895509681715 split increased to 2 itime 964525
+ acceleration/energy drift too large 2.97653781375550
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itsplit 1
- acceleration/energy drift too large 9.21473621211364
- 41.7158791247634 split increased to 2 itime 964956
+ acceleration/energy drift too large 3.63473393819300
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itsplit 1
- acceleration/energy drift too large 2.74929871068298
- 11.6129210296265 split increased to 2 itime 965669
+ acceleration/energy drift too large 10.7041710437672
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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
=================================== 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
projects / unres.git / blobdiff