Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / REMD / with_constrains / Berendsen / ff_gab / outputs / 1L2Y_REMD_GB014.stat

diff --git a/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB014.stat b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB014.stat
new file mode 100644 (file)
index 0000000..6a2caa0
--- /dev/null
+++ b/examples/unres/REMD/with_constrains/Berendsen/ff_gab/outputs/1L2Y_REMD_GB014.stat
@@ -0,0 +1,101 @@
+         0           0.00      54.358     671.758     726.117   0.00 1.000 0.000 0.308 8.653     493.167     390.000       7.001   14 
+     10000        2000.00      32.051       5.737      37.788  10.41 0.071 0.500 0.159 1.507     290.784     390.000      13.279   14 
+     20000        4000.00      39.257       5.238      44.495   5.51 0.000 1.000 0.159 2.202     356.158     390.000       9.428   14 
+     30000        6000.00      37.971      -8.836      29.135   7.84 0.000 1.000 0.182 2.283     344.493     390.000      12.434   14 
+     40000        8000.00      31.299       8.960      40.259   9.38 0.000   NaN   NaN 3.274     283.960     390.000      13.345   14 
+     50000       10000.00      37.722      -0.560      37.162   5.78 0.071 0.000 0.182 2.654     342.238     390.000      10.037   14 
+     60000       12000.00      44.091      10.644      54.735   6.76 0.000 1.000 0.273 1.879     400.019     390.000       7.593   14 
+     70000       14000.00      30.293      15.803      46.096   6.25 0.000 1.000 0.136 1.118     274.837     390.000       9.144   14 
+     80000       16000.00      38.708      20.207      58.915   6.84 0.000 1.000 0.136 1.799     351.182     390.000      10.836   14 
+     90000       18000.00      42.109       6.089      48.198   6.60 0.071 0.500 0.159 2.706     382.036     390.000      10.408   14 
+    100000       20000.00      48.859      -3.239      45.620   5.89 0.071 0.667 0.439 1.877     443.272     390.000       8.338   14 
+    110000       22000.00      36.047       0.471      36.518   4.64 0.143 0.667 0.477 1.183     327.037     380.000       8.259   14 
+    120000       24000.00      40.990       1.887      42.877   5.90 0.000 1.000 0.261 1.810     371.886     380.000       9.082   14 
+    130000       26000.00      45.306       5.925      51.231   4.39 0.143 0.333 0.167 2.368     411.035     380.000       8.806   14 
+    140000       28000.00      38.681      -1.990      36.691   5.32 0.071 0.800 0.336 0.885     350.930     380.000       7.864   14 
+    150000       30000.00      33.502       3.037      36.538   6.90 0.000 1.000 0.182 1.370     303.947     380.000      11.470   14 
+    160000       32000.00      34.504       9.094      43.598   8.45 0.071 0.000 0.136 3.851     313.041     380.000      13.084   14 
+    170000       34000.00      35.330       0.047      35.377   3.00 0.357 0.375 0.216 0.650     320.531     380.000       7.687   14 
+    180000       36000.00      33.098      -5.982      27.116   9.06 0.143 0.500 0.216 1.425     300.282     380.000      12.091   14 
+    190000       38000.00      43.572      -4.378      39.194   5.48 0.000 1.000 0.364 2.880     395.303     380.000       8.349   14 
+    200000       40000.00      38.921      -2.331      36.589   4.89 0.071 0.000 0.227 2.650     353.109     380.000       9.673   14 
+    210000       42000.00      49.734       5.005      54.739   9.63 0.071 0.500 0.205 2.510     451.215     370.000      12.434   14 
+    220000       44000.00      40.274      -2.559      37.715   7.01 0.071 0.750 0.273 1.879     365.389     370.000       9.298   14 
+    230000       46000.00      29.739      -8.872      20.867   5.58 0.286 0.600 0.423 1.472     269.809     370.000       7.864   14 
+    240000       48000.00      35.630       6.203      41.832   9.81 0.000   NaN   NaN 3.450     323.252     370.000      12.905   14 
+    250000       50000.00      39.541      -7.294      32.247   6.36 0.071 0.667 0.212 1.711     358.738     370.000      10.117   14 
+    260000       52000.00      36.566      -9.160      27.406   8.41 0.214 0.000 0.152 1.672     331.743     370.000      11.713   14 
+    270000       54000.00      33.794      -7.544      26.250   7.56 0.143 0.500 0.159 1.175     306.596     370.000      11.343   14 
+    280000       56000.00      42.194      -0.112      42.082   4.66 0.214 0.625 0.239 1.135     382.804     370.000       7.652   14 
+    290000       58000.00      37.166       3.769      40.934   8.37 0.000 1.000 0.136 1.462     337.187     370.000      12.321   14 
+    300000       60000.00      35.341      -4.177      31.164   5.38 0.071 0.750 0.250 2.123     320.634     370.000       8.470   14 
+    310000       62000.00      42.263       2.534      44.798   9.01 0.000   NaN   NaN 1.841     383.433     360.000      13.068   14 
+    320000       64000.00      24.111     -11.665      12.445   4.53 0.143 0.667 0.530 2.382     218.745     360.000       8.376   14 
+    330000       66000.00      32.648      -7.250      25.397   5.35 0.000 1.000 0.167 2.168     296.196     360.000       9.888   14 
+    340000       68000.00      36.317      -5.102      31.215   4.57 0.214 0.400 0.236 1.808     329.487     360.000       7.546   14 
+    350000       70000.00      38.959      -0.812      38.147   5.46 0.000 1.000 0.318 1.522     353.455     360.000       9.868   14 
+    360000       72000.00      39.830      -7.220      32.610   4.06 0.143 0.333 0.348 3.266     361.355     360.000       8.820   14 
+    370000       74000.00      33.965      -9.051      24.914   7.71 0.143 0.333 0.167 1.359     308.149     360.000      10.954   14 
+    380000       76000.00      31.162       5.588      36.749   7.94 0.071 0.000 0.136 1.266     282.713     360.000      11.296   14 
+    390000       78000.00      32.199       4.034      36.233   6.56 0.143 0.714 0.234 2.284     292.129     360.000       7.832   14 
+    400000       80000.00      39.366      -3.846      35.520   5.53 0.071 0.750 0.193 1.398     357.153     360.000       8.245   14 
+    410000       82000.00      31.289      -1.768      29.521   7.06 0.143 0.500 0.239 1.529     283.870     350.000       9.986   14 
+    420000       84000.00      26.442       5.737      32.179   8.09 0.071 0.800 0.209 0.937     239.896     350.000       9.858   14 
+    430000       86000.00      27.643     -11.201      16.442   5.69 0.071 0.000 0.182 1.057     250.794     350.000       8.567   14 
+    440000       88000.00      33.432      -0.029      33.402   8.84 0.071 0.750 0.170 2.381     303.308     350.000      11.182   14 
+    450000       90000.00      38.399      -5.379      33.020   5.53 0.143 0.500 0.318 1.579     348.376     350.000       7.744   14 
+    460000       92000.00      39.750       5.436      45.185   7.57 0.000 1.000 0.295 1.604     360.630     350.000      10.653   14 
+    470000       94000.00      34.729       6.767      41.496   5.81 0.071 0.500 0.136 1.271     315.077     350.000       9.262   14 
+    480000       96000.00      33.631      -6.566      27.065   5.74 0.071 0.800 0.355 1.751     305.121     350.000       7.884   14 
+    490000       98000.00      32.210       6.502      38.713   7.13 0.000   NaN   NaN 2.835     292.229     350.000      11.305   14 
+    500000      100000.00      37.578      -3.241      34.337   5.88 0.071 0.000 0.136 1.426     340.931     350.000       8.922   14 
+    510000      102000.00      42.821      -4.535      38.286   3.71 0.071 0.667 0.273 1.491     388.490     340.000       7.708   14 
+    520000      104000.00      32.323      -8.920      23.404   5.03 0.214 0.786 0.347 2.187     293.255     340.000       7.200   14 
+    530000      106000.00      38.502      -7.531      30.971   6.14 0.143 0.714 0.435 2.346     349.314     340.000       7.510   14 
+    540000      108000.00      34.571     -14.063      20.508   6.78 0.143 0.714 0.227 1.131     313.646     340.000       8.785   14 
+    550000      110000.00      28.445      -8.265      20.180   6.28 0.286 0.636 0.202 1.790     258.064     340.000       8.763   14 
+    560000      112000.00      33.108      -7.777      25.332   6.41 0.143 0.750 0.233 2.070     300.377     340.000       8.982   14 
+    570000      114000.00      37.653       9.694      47.348  10.03 0.071 0.000 0.182 2.326     341.611     340.000      13.893   14 
+    580000      116000.00      34.384     -14.691      19.693   6.16 0.071 0.750 0.227 1.575     311.954     340.000       7.880   14 
+    590000      118000.00      30.739     -11.940      18.798   5.36 0.071 0.857 0.487 1.256     278.879     340.000       7.252   14 
+    600000      120000.00      32.532      -7.453      25.078   6.77 0.143 0.500 0.250 2.233     295.143     340.000       7.817   14 
+    610000      122000.00      41.766      -2.357      39.409   8.48 0.000 1.000 0.136 2.646     378.926     350.000      11.828   14 
+    620000      124000.00      35.483     -23.277      12.206   4.25 0.286 0.500 0.239 2.646     321.917     350.000       7.787   14 
+    630000      126000.00      37.168      -4.843      32.325   5.40 0.000 1.000 0.386 2.175     337.209     350.000       8.213   14 
+    640000      128000.00      37.436      -7.075      30.361   7.74 0.143 0.600 0.200 1.627     339.639     350.000       9.583   14 
+    650000      130000.00      33.159       4.747      37.906   8.36 0.000 1.000 0.159 4.110     300.833     350.000      11.697   14 
+    660000      132000.00      42.473     -12.973      29.500   6.03 0.071 0.800 0.336 2.128     385.334     350.000       7.341   14 
+    670000      134000.00      30.771      -5.698      25.073   8.07 0.071 0.667 0.167 1.226     279.175     350.000      10.250   14 
+    680000      136000.00      31.304     -12.028      19.277   3.94 0.071 0.800 0.327 1.313     284.010     350.000       7.211   14 
+    690000      138000.00      38.344       4.822      43.166   9.37 0.071 0.667 0.152 1.733     347.876     350.000      12.378   14 
+    700000      140000.00      30.972      -5.182      25.789   7.54 0.071 0.000 0.182 1.102     280.993     350.000      11.534   14 
+    710000      142000.00      34.368     -16.787      17.581   5.16 0.143 0.667 0.258 1.392     311.804     340.000       6.984   14 
+    720000      144000.00      30.530      -0.513      30.018   3.71 0.214 0.400 0.364 2.087     276.985     340.000       8.625   14 
+    730000      146000.00      35.052     -12.005      23.048   7.95 0.214 0.667 0.268 1.985     318.014     340.000       9.663   14 
+    740000      148000.00      38.399      -8.714      29.685   5.49 0.071 0.500 0.227 1.254     348.378     340.000       8.029   14 
+    750000      150000.00      39.610     -10.908      28.702   4.77 0.071 0.667 0.136 1.903     359.362     340.000       8.514   14 
+    760000      152000.00      37.095      -8.413      28.682   9.08 0.000 1.000 0.164 2.606     336.542     340.000      11.589   14 
+    770000      154000.00      43.264     -17.978      25.286   5.62 0.071 0.833 0.447 1.317     392.514     340.000       7.235   14 
+    780000      156000.00      38.276     -11.103      27.173   5.36 0.143 0.600 0.209 0.950     347.263     340.000       8.530   14 
+    790000      158000.00      31.015     -17.282      13.733   3.65 0.286 0.556 0.343 1.549     281.386     340.000       7.279   14 
+    800000      160000.00      29.619      -0.280      29.338   6.08 0.143 0.500 0.170 1.346     268.715     340.000       9.387   14 
+    810000      162000.00      38.643     -30.184       8.459   4.71 0.214 0.667 0.455 2.059     350.589     330.000       7.492   14 
+    820000      164000.00      40.960      -8.326      32.634   6.12 0.071 0.800 0.218 2.816     371.608     330.000       9.834   14 
+    830000      166000.00      41.758     -14.897      26.862   4.77 0.143 0.714 0.273 2.859     378.854     330.000       7.954   14 
+    840000      168000.00      42.058      -8.526      33.531   7.17 0.143 0.333 0.167 1.376     381.567     330.000       8.943   14 
+    850000      170000.00      20.610     -16.923       3.687   5.09 0.214 0.700 0.327 1.877     186.986     330.000       7.043   14 
+    860000      172000.00      42.082     -16.624      25.458   4.33 0.286 0.333 0.212 1.254     381.790     330.000       8.237   14 
+    870000      174000.00      42.039     -18.771      23.268   3.99 0.214 0.750 0.436 1.841     381.399     330.000       7.385   14 
+    880000      176000.00      27.475      -6.371      21.104   7.44 0.143 0.600 0.164 2.153     249.266     330.000      10.724   14 
+    890000      178000.00      37.168      -7.492      29.676   5.94 0.071 0.500 0.136 1.547     337.206     330.000       8.240   14 
+    900000      180000.00      28.175      -8.448      19.727   5.09 0.143 0.714 0.364 1.573     255.614     330.000       7.202   14 
+    910000      182000.00      29.229      -7.528      21.701  10.60 0.143 0.333 0.152 1.774     265.182     350.000      13.605   14 
+    920000      184000.00      41.301     -12.743      28.558   6.79 0.071 0.857 0.364 2.920     374.706     350.000       7.197   14 
+    930000      186000.00      33.395       4.776      38.171   7.93 0.143 0.000 0.159 1.275     302.977     350.000       9.961   14 
+    940000      188000.00      45.714      -3.004      42.710   5.39 0.071 0.500 0.182 3.162     414.737     350.000       8.935   14 
+    950000      190000.00      37.913       1.671      39.584   7.90 0.071 0.500 0.182 3.907     343.970     350.000      11.467   14 
+    960000      192000.00      31.637      -2.969      28.668   5.27 0.071 0.750 0.295 1.801     287.027     350.000       7.846   14 
+    970000      194000.00      43.715     -16.913      26.801   4.55 0.214 0.400 0.209 2.632     396.603     350.000       8.845   14 
+    980000      196000.00      34.331     -12.630      21.702   6.64 0.071 0.500 0.318 1.299     311.473     350.000       8.022   14 
+    990000      198000.00      41.968     -18.516      23.452   5.98 0.286 0.556 0.354 1.349     380.752     350.000       7.160   14 
+   1000000      200000.00      27.030      -4.849      22.182   5.23 0.071 0.667 0.197 1.024     245.232     350.000       9.156   14