examples/unres/new/REMD/Nose-Hoover/ff_gab/fort.2

   1 Nose-Hoover bath calculation
   2 Mol.Phys. 87 1117 (1996) Martyna et al.
   3 NVT-XI-RESPA algorithm
   4                                                 Temperature: 300.00000
   5                                                          Q =   1.00000
   6  H0=    108.655845576103
   7  acceleration/energy drift too large   11.9998781052206
   8    13.1003840709383       split increased to            2  itime      117525
   9   itsplit           1
  10  acceleration/energy drift too large   6.10895221664829
  11    10.5080994878034       split increased to            2  itime      251171
  12   itsplit           1
  13  acceleration/energy drift too large   9.96713611357368
  14    10.7278444342403       split increased to            2  itime      711463
  15   itsplit           1
  16  acceleration/energy drift too large   10.0064806658085
  17    11.9705403764126       split increased to            2  itime      750484
  18   itsplit           1
  19  acceleration/energy drift too large   8.99709664674769
  20    10.3503067228688       split increased to            2  itime      618354
  21   itsplit           1
  22  acceleration/energy drift too large   7.05192302535523
  23    17.0561003784193       split increased to            2  itime      784902
  24   itsplit           1
  25  acceleration/energy drift too large   11.3825577834735
  26    12.7932769560824       split increased to            2  itime      827332
  27   itsplit           1
  28  acceleration/energy drift too large   9.24417443593958
  29    10.5373530223862       split increased to            2  itime      908347
  30   itsplit           1
  31  acceleration/energy drift too large   10.4927287801629
  32    12.9024044257076       split increased to            2  itime      934310
  33   itsplit           1
  34  acceleration/energy drift too large   8.47590525765201
  35    10.5662516433962       split increased to            2  itime      997780
  36   itsplit           1
  37  acceleration/energy drift too large   13.3340168780839
  38    13.7718168858320       split increased to            2  itime      865544
  39   itsplit           1
  40  acceleration/energy drift too large   5.91236217223106
  41    11.2871075189086       split increased to            2  itime      919942
  42   itsplit           1
  43  acceleration/energy drift too large   10.2604515836813
  44    9.83338952676769       split increased to            2  itime      673281
  45   itsplit           1
  46  acceleration/energy drift too large   11.2951415497763
  47    8.58440667639174       split increased to            2  itime      686349
  48   itsplit           1
  49  acceleration/energy drift too large   10.9403819228949
  50    17.6211071911718       split increased to            2  itime      700054
  51   itsplit           1
  52  acceleration/energy drift too large   5.56969022277486
  53    12.1324622199339       split increased to            2  itime      765558
  54   itsplit           1
  55  acceleration/energy drift too large   12.0489275960967
  56    19.1443168681847       split increased to            2  itime      774614
  57   itsplit           1
  58  acceleration/energy drift too large   10.1416363159730
  59    11.3971781731848       split increased to            2  itime      788425
  60   itsplit           1
  61  acceleration/energy drift too large   12.2328153425136
  62    14.7678598199712       split increased to            2  itime      854471
  63   itsplit           1
  64  acceleration/energy drift too large   12.6388501075801
  65    55.2487689559854       split increased to            2  itime      720189
  66   itsplit           1
  67  acceleration/energy drift too large   14.2000569855572
  68    22.6210807474007       split increased to            2  itime      734764
  69   itsplit           1
  70  acceleration/energy drift too large   9.84699537562064
  71    24.6138801627725       split increased to            2  itime      740862
  72   itsplit           1
  73  acceleration/energy drift too large   7.68062983718713
  74    10.3543239948451       split increased to            2  itime      751380
  75   itsplit           1
  76  acceleration/energy drift too large   12.1139480684704
  77    16.0739000433504       split increased to            2  itime      759538
  78   itsplit           1
  79  acceleration/energy drift too large   10.5477410784867
  80    11.9971543050139       split increased to            2  itime      777393
  81   itsplit           1
  82  acceleration/energy drift too large   27.2384959154701
  83    51.4561892107674       split increased to            2  itime      785147
  84   itsplit           1
  85  acceleration/energy drift too large   6.61918996909648
  86    10.4092834345698       split increased to            2  itime      785672
  87   itsplit           1
  88  acceleration/energy drift too large   10.6753281890232
  89    13.9576826962118       split increased to            2  itime      822262
  90   itsplit           1
  91  acceleration/energy drift too large   12.0642948357035
  92    22.1133729111769       split increased to            2  itime      852877
  93   itsplit           1
  94  acceleration/energy drift too large   11.5033475417987
  95    12.4317510802736       split increased to            2  itime      856043
  96   itsplit           1
  97  acceleration/energy drift too large   11.0353809042148
  98    11.9488021003724       split increased to            2  itime      860903
  99   itsplit           1
 100  acceleration/energy drift too large   11.0071558909439
 101    11.3212852859065       split increased to            2  itime      896265
 102   itsplit           1
 103  acceleration/energy drift too large   9.48098880647470
 104    11.1328804706735       split increased to            2  itime      962554
 105   itsplit           1
 106  acceleration/energy drift too large   20.8835403293376
 107    40.5128468563947       split increased to            2  itime      873421
 108   itsplit           1
 109  acceleration/energy drift too large   8.51173776450411
 110    10.1410776353290       split increased to            2  itime      892042
 111   itsplit           1
 112  acceleration/energy drift too large   10.1278894087521
 113    9.93175597734157       split increased to            2  itime      907490
 114   itsplit           1
 115  acceleration/energy drift too large   7.00737144646961
 116    13.9215477299559       split increased to            2  itime      921397
 117   itsplit           1
 118  acceleration/energy drift too large   14.6085004363814
 119    21.3133353698604       split increased to            2  itime      923315
 120   itsplit           1
 121  acceleration/energy drift too large   13.6475120748507
 122    15.6873145569907       split increased to            2  itime      940994
 123   itsplit           1
 124  acceleration/energy drift too large   8.40951511955094
 125    20.3671104384497       split increased to            2  itime      943080
 126   itsplit           1
 127  acceleration/energy drift too large   16.1150972151442
 128    25.6358390066988       split increased to            2  itime      954819
 129   itsplit           1
 130  acceleration/energy drift too large   8.86159171398580
 131    24.0389934891672       split increased to            2  itime      975779
 132   itsplit           1
 133  acceleration/energy drift too large   6.25012078065036
 134    11.4821146337285       split increased to            2  itime      997501
 135   itsplit           1
 136  acceleration/energy drift too large   8.02975373804776
 137    13.9058128247899       split increased to            2  itime      954134
 138   itsplit           1
 139  acceleration/energy drift too large   11.6823427692266
 140    15.0021476676271       split increased to            2  itime      997822
 141   itsplit           1
 142  acceleration/energy drift too large   5.99463606249681
 143    13.3435014341549       split increased to            2  itime      941262
 144   itsplit           1
 145  acceleration/energy drift too large   10.9234327457148
 146    9.18498209345477       split increased to            2  itime      933900
 147   itsplit           1
 148  acceleration/energy drift too large   10.7014989944187
 149    12.5835139063996       split increased to            2  itime      937608
 150   itsplit           1
 151  acceleration/energy drift too large   10.7454416256838
 152    14.8313435513320       split increased to            2  itime      946869
 153   itsplit           1
 154  acceleration/energy drift too large   22.1822170725631
 155    137.330940374216       split increased to            2  itime      964575
 156   itsplit           1
 157  acceleration/energy drift too large   4.37861831416973
 158    21.3433996240882       split increased to            4  itime      964575
 159   itsplit           2
 160  acceleration/energy drift too large   18.1913679923198
 161    24.9200224326050       split increased to            2  itime      978623
 162   itsplit           1
 163  acceleration/energy drift too large   16.0541253269189
 164    29.5111750547580       split increased to            2  itime      980907
 165   itsplit           1
 166  acceleration/energy drift too large   9.30371895806360
 167    11.0365005283431       split increased to            2  itime      747826
 168   itsplit           1
 169  acceleration/energy drift too large   15.3779228047827
 170    20.4096823009969       split increased to            2  itime      757063
 171   itsplit           1
 172  acceleration/energy drift too large   10.8781774579559
 173    10.8976679352535       split increased to            2  itime      765812
 174   itsplit           1
 175  acceleration/energy drift too large   11.6992456838481
 176    13.9620481296731       split increased to            2  itime      769746
 177   itsplit           1
 178  acceleration/energy drift too large   9.01720674822129
 179    11.5100138973033       split increased to            2  itime      799786
 180   itsplit           1
 181  acceleration/energy drift too large   7.04772523200129
 182    11.8175549847546       split increased to            2  itime      802762
 183   itsplit           1
 184  acceleration/energy drift too large   8.45804506998435
 185    10.4803799266503       split increased to            2  itime      811325
 186   itsplit           1
 187  acceleration/energy drift too large   9.25063636378668
 188    11.2204076975425       split increased to            2  itime      836780
 189   itsplit           1
 190  acceleration/energy drift too large   11.2975589401226
 191    15.5511693433148       split increased to            2  itime      837216
 192   itsplit           1
 193  acceleration/energy drift too large   16.2496316757962
 194    103.781206574212       split increased to            2  itime      852236
 195   itsplit           1
 196  acceleration/energy drift too large   11.5766560437504
 197    39.7920334155238       split increased to            2  itime      852432
 198   itsplit           1
 199  acceleration/energy drift too large   9.37271717298446
 200    26.1698571413672       split increased to            2  itime      855509
 201   itsplit           1
 202  acceleration/energy drift too large   15.6376649134830
 203    20.2114742212021       split increased to            2  itime      904014
 204   itsplit           1
 205  acceleration/energy drift too large   5.26082427010231
 206    10.3239542053421       split increased to            2  itime      909995
 207   itsplit           1
 208  acceleration/energy drift too large   14.1255514203856
 209    19.1011649091343       split increased to            2  itime      910525
 210   itsplit           1
 211  acceleration/energy drift too large   18.8024013139991
 212    31.5637239988613       split increased to            2  itime      943634
 213   itsplit           1
 214  acceleration/energy drift too large   10.7270160917479
 215    14.0546433843316       split increased to            2  itime      957385
 216   itsplit           1
 217  acceleration/energy drift too large   10.0311518899159
 218    9.66123807618685       split increased to            2  itime      971430
 219   itsplit           1
 220  acceleration/energy drift too large   10.0967983833338
 221    8.42463331152800       split increased to            2  itime      902120
 222   itsplit           1
 223  acceleration/energy drift too large   11.2561924949802
 224    19.4874053747430       split increased to            2  itime      947947
 225   itsplit           1
 226  acceleration/energy drift too large   12.2423400800582
 227    13.1872251117196       split increased to            2  itime      952750
 228   itsplit           1
 229  acceleration/energy drift too large   13.0715562116816
 230    15.7098617137039       split increased to            2  itime      959635
 231   itsplit           1
 232  acceleration/energy drift too large   10.0483757105287
 233    12.6343801225713       split increased to            2  itime      963376
 234   itsplit           1
 235  acceleration/energy drift too large   9.32712471237710
 236    12.5510335021778       split increased to            2  itime      974459
 237   itsplit           1
 238  acceleration/energy drift too large   10.1977792792089
 239    11.5305947697030       split increased to            2  itime      976739
 240   itsplit           1
 241  acceleration/energy drift too large   10.2529474651543
 242    15.1228880212918       split increased to            2  itime      985506
 243   itsplit           1
 244  acceleration/energy drift too large   11.9583881234370
 245    13.8775479423186       split increased to            2  itime      986691
 246   itsplit           1
 247  acceleration/energy drift too large   10.5750450935503
 248    32.9698253387146       split increased to            2  itime      988482
 249   itsplit           1
 250  acceleration/energy drift too large   9.43331950844432
 251    10.7495477232566       split increased to            2  itime      900692
 252   itsplit           1
 253  acceleration/energy drift too large   12.9958201868411
 254    22.3242479343416       split increased to            2  itime      905303
 255   itsplit           1
 256  acceleration/energy drift too large   9.37372029690420
 257    10.3813330707683       split increased to            2  itime      916406
 258   itsplit           1
 259  acceleration/energy drift too large   9.47872443172013
 260    18.1985087779943       split increased to            2  itime      927023
 261   itsplit           1
 262  acceleration/energy drift too large   11.1136048227353
 263    18.3627371760905       split increased to            2  itime      947128
 264   itsplit           1
 265  acceleration/energy drift too large   7.27218003503828
 266    16.7281461930931       split increased to            2  itime      957198
 267   itsplit           1
 268  acceleration/energy drift too large   6.18125683111113
 269    13.9169857915671       split increased to            2  itime      958328
 270   itsplit           1
 271  acceleration/energy drift too large   17.3265818419586
 272    23.9630744625035       split increased to            2  itime      974580
 273   itsplit           1
 274  acceleration/energy drift too large   6.64625816624767
 275    10.3515059308238       split increased to            2  itime      992614
 276   itsplit           1