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=    146.016207180849
   7  acceleration/energy drift too large   10.4474823952748
   8    13.7185899653044       split increased to            2  itime      479029
   9   itsplit           1
  10  acceleration/energy drift too large   10.0838908445385
  11    12.2081129546542       split increased to            2  itime      646904
  12   itsplit           1
  13  acceleration/energy drift too large   9.80764455252755
  14    11.4190657483492       split increased to            2  itime      661628
  15   itsplit           1
  16  acceleration/energy drift too large   8.38400743034376
  17    10.2755232741894       split increased to            2  itime      671315
  18   itsplit           1
  19  acceleration/energy drift too large   9.07834943093149
  20    27.1854416579199       split increased to            2  itime      739404
  21   itsplit           1
  22  acceleration/energy drift too large   12.3887928192314
  23    16.0947169915698       split increased to            2  itime      600324
  24   itsplit           1
  25  acceleration/energy drift too large   11.3575819375894
  26    13.8933334230441       split increased to            2  itime      903223
  27   itsplit           1
  28  acceleration/energy drift too large   8.99734226275541
  29    10.2811543952551       split increased to            2  itime      581229
  30   itsplit           1
  31  acceleration/energy drift too large   7.19126369265817
  32    18.8964081601177       split increased to            2  itime      581846
  33   itsplit           1
  34  acceleration/energy drift too large   12.1643246330128
  35    13.9036523759266       split increased to            2  itime      620500
  36   itsplit           1
  37  acceleration/energy drift too large   16.6476884800482
  38    24.8020219762849       split increased to            2  itime      683729
  39   itsplit           1
  40  acceleration/energy drift too large   14.0028672783607
  41    14.7576429434212       split increased to            2  itime      717208
  42   itsplit           1
  43  acceleration/energy drift too large   15.6159329535257
  44    22.1751951700777       split increased to            2  itime      757550
  45   itsplit           1
  46  acceleration/energy drift too large   13.2876296609883
  47    17.0874378977790       split increased to            2  itime      775852
  48   itsplit           1
  49  acceleration/energy drift too large   11.6443819324130
  50    13.0734801444184       split increased to            2  itime      855501
  51   itsplit           1
  52  acceleration/energy drift too large   6.43821015262811
  53    10.0473948238442       split increased to            2  itime      934300
  54   itsplit           1
  55  acceleration/energy drift too large   13.2043551429437
  56    14.6292523333090       split increased to            2  itime      813883
  57   itsplit           1
  58  acceleration/energy drift too large   15.9850982990572
  59    20.2597118382661       split increased to            2  itime      832329
  60   itsplit           1
  61  acceleration/energy drift too large   6.14680597161888
  62    14.8530808147243       split increased to            2  itime      842717
  63   itsplit           1
  64  acceleration/energy drift too large   9.33736541306102
  65    10.4713605017938       split increased to            2  itime      875236
  66   itsplit           1
  67  acceleration/energy drift too large   11.0607224694794
  68    14.1727702106929       split increased to            2  itime      910181
  69   itsplit           1
  70  acceleration/energy drift too large   11.6189292087344
  71    14.5093689178102       split increased to            2  itime      949710
  72   itsplit           1
  73  acceleration/energy drift too large   14.0810192159906
  74    18.5982686179372       split increased to            2  itime      932087
  75   itsplit           1
  76  acceleration/energy drift too large   12.3284804673517
  77    14.6789520670565       split increased to            2  itime      938515
  78   itsplit           1
  79  acceleration/energy drift too large   8.61646330143675
  80    19.2744211878315       split increased to            2  itime      949780
  81   itsplit           1
  82  acceleration/energy drift too large   10.8708125328600
  83    10.8949927882557       split increased to            2  itime      751320
  84   itsplit           1
  85  acceleration/energy drift too large   10.5963506583048
  86    11.8629454390658       split increased to            2  itime      844776
  87   itsplit           1
  88  acceleration/energy drift too large   13.3216458457687
  89    23.1487810107251       split increased to            2  itime      949649
  90   itsplit           1
  91  acceleration/energy drift too large   25.8684109125810
  92    51.8837106041120       split increased to            2  itime      616909
  93   itsplit           1
  94  acceleration/energy drift too large   14.1375362351339
  95    17.9935298408876       split increased to            2  itime      625870
  96   itsplit           1
  97  acceleration/energy drift too large   5.70047603606416
  98    10.2837618477216       split increased to            2  itime      654698
  99   itsplit           1
 100  acceleration/energy drift too large   11.7154337294531
 101    14.6952436807384       split increased to            2  itime      655197
 102   itsplit           1
 103  acceleration/energy drift too large   14.1078294084717
 104    16.0759860779535       split increased to            2  itime      663062
 105   itsplit           1
 106  acceleration/energy drift too large   9.44750545589540
 107    13.4124482887411       split increased to            2  itime      679707
 108   itsplit           1
 109  acceleration/energy drift too large   9.77454169928706
 110    14.4160430839264       split increased to            2  itime      695040
 111   itsplit           1
 112  acceleration/energy drift too large   21.1252382570723
 113    33.2827275053894       split increased to            2  itime      701263
 114   itsplit           1
 115  acceleration/energy drift too large   7.34398142700942
 116    11.3835828293925       split increased to            2  itime      703957
 117   itsplit           1
 118  acceleration/energy drift too large   13.7556155356365
 119    18.0257138218000       split increased to            2  itime      705077
 120   itsplit           1
 121  acceleration/energy drift too large   10.5724342406466
 122    13.6013865205178       split increased to            2  itime      705528
 123   itsplit           1
 124  acceleration/energy drift too large   12.5996450434682
 125    16.3220512614375       split increased to            2  itime      720220
 126   itsplit           1
 127  acceleration/energy drift too large   9.51272369450176
 128    13.5150720918082       split increased to            2  itime      858152
 129   itsplit           1
 130  acceleration/energy drift too large   9.72679427808291
 131    12.2957157577816       split increased to            2  itime      882947
 132   itsplit           1
 133  acceleration/energy drift too large   13.5710660568682
 134    14.6814545066447       split increased to            2  itime      902305
 135   itsplit           1
 136  acceleration/energy drift too large   11.3203577801118
 137    11.9949138592315       split increased to            2  itime      946838
 138   itsplit           1
 139  acceleration/energy drift too large   10.1915592779584
 140    11.9697890533074       split increased to            2  itime      965203
 141   itsplit           1
 142  acceleration/energy drift too large   11.4139906777648
 143    12.8266257785600       split increased to            2  itime      987887
 144   itsplit           1
 145  acceleration/energy drift too large   10.1215024687959
 146    11.3439420857059       split increased to            2  itime      988588
 147   itsplit           1
 148  acceleration/energy drift too large   6.40534837074609
 149    11.8289285098342       split increased to            2  itime      993303
 150   itsplit           1
 151  acceleration/energy drift too large   12.5318608340117
 152    12.3079794154994       split increased to            2  itime      869354
 153   itsplit           1
 154  acceleration/energy drift too large   10.7702626974841
 155    11.1926240875265       split increased to            2  itime      870042
 156   itsplit           1
 157  acceleration/energy drift too large   11.8318368899338
 158    18.2887856049860       split increased to            2  itime      887090
 159   itsplit           1
 160  acceleration/energy drift too large   13.5782746275625
 161    17.2033022974206       split increased to            2  itime      899570
 162   itsplit           1
 163  acceleration/energy drift too large   10.5937826281636
 164    12.9193561803566       split increased to            2  itime      917632
 165   itsplit           1
 166  acceleration/energy drift too large   12.7382735474666
 167    23.8057416004538       split increased to            2  itime      862606
 168   itsplit           1
 169  acceleration/energy drift too large   12.8161088239592
 170    20.0634873434015       split increased to            2  itime      867987
 171   itsplit           1
 172  acceleration/energy drift too large   8.91742591449242
 173    21.1233184809437       split increased to            2  itime      877127
 174   itsplit           1
 175  acceleration/energy drift too large   10.5301129572376
 176    14.1074316255991       split increased to            2  itime      894790
 177   itsplit           1
 178  acceleration/energy drift too large   5.48742337786594
 179    12.3567344690496       split increased to            2  itime      897432
 180   itsplit           1
 181  acceleration/energy drift too large   6.83526781112601
 182    10.1599149243719       split increased to            2  itime      919726
 183   itsplit           1
 184  acceleration/energy drift too large   15.4248669302037
 185    16.3244929738029       split increased to            2  itime      956811
 186   itsplit           1
 187  acceleration/energy drift too large   14.5504999773637
 188    18.3443024702016       split increased to            2  itime      966303
 189   itsplit           1
 190  acceleration/energy drift too large   9.73465458464157
 191    12.5187844004519       split increased to            2  itime      982327
 192   itsplit           1
 193  acceleration/energy drift too large   10.3142759067405
 194    8.09352318026961       split increased to            2  itime      949011
 195   itsplit           1
 196  acceleration/energy drift too large   5.92521390460634
 197    11.6716885606083       split increased to            2  itime      998072
 198   itsplit           1
 199  acceleration/energy drift too large   10.6802573090439
 200    16.2924264500361       split increased to            2  itime      987735
 201   itsplit           1
 202  acceleration/energy drift too large   8.17481710226301
 203    10.8759308607862       split increased to            2  itime      988606
 204   itsplit           1
 205  acceleration/energy drift too large   9.82020966622212
 206    11.0272620258464       split increased to            2  itime      996063
 207   itsplit           1
 208  acceleration/energy drift too large   12.4557123052432
 209    11.4846735511055       split increased to            2  itime      996926
 210   itsplit           1
 211  acceleration/energy drift too large   9.77048320605013
 212    10.0709590575513       split increased to            2  itime      840270
 213   itsplit           1
 214  acceleration/energy drift too large   10.5635113176783
 215    8.83926622287814       split increased to            2  itime      856824
 216   itsplit           1
 217  acceleration/energy drift too large   10.1308929674323
 218    46.5628712148842       split increased to            2  itime      863772
 219   itsplit           1
 220  acceleration/energy drift too large   12.7809612412840
 221    19.6186368998735       split increased to            2  itime      878322
 222   itsplit           1
 223  acceleration/energy drift too large   11.0601646360236
 224    17.2925713933622       split increased to            2  itime      888840
 225   itsplit           1
 226  acceleration/energy drift too large   9.93183128963256
 227    10.8405930762510       split increased to            2  itime      896508
 228   itsplit           1
 229  acceleration/energy drift too large   17.9023746026882
 230    34.7821519628988       split increased to            2  itime      912284
 231   itsplit           1
 232  acceleration/energy drift too large   11.8039428143911
 233    43.1144312418701       split increased to            2  itime      931323
 234   itsplit           1
 235  acceleration/energy drift too large   20.0065463758034
 236    32.0358774931549       split increased to            2  itime      934018
 237   itsplit           1
 238  acceleration/energy drift too large   9.43791393567064
 239    11.4751227228912       split increased to            2  itime      940234
 240   itsplit           1
 241  acceleration/energy drift too large   7.15796134750659
 242    13.0379454261872       split increased to            2  itime      979385
 243   itsplit           1
 244  acceleration/energy drift too large   12.8124825327680
 245    12.5020146513501       split increased to            2  itime      986130
 246   itsplit           1