Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / Berendsen / ff_1l2y / 1L2Y_REMD_GB012.stat

diff --git a/examples/unres/new/REMD/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat b/examples/unres/new/REMD/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat
deleted file mode 100644 (file)
index 323c0f1..0000000
--- a/examples/unres/new/REMD/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      27.576     112.930     140.506  12.87 0.000   NaN   NaN 4.850     250.183     370.000      15.552   12 
-     10000        2000.00      30.344      18.851      49.195   5.06 0.000 1.000 0.318 0.267     275.293     370.000       9.355   12 
-     20000        4000.00      37.913      12.203      50.116   6.32 0.000 1.000 0.212 0.604     343.970     370.000       8.605   12 
-     30000        6000.00      45.660       8.561      54.221   4.66 0.071 0.889 0.217 1.001     414.248     370.000       8.191   12 
-     40000        8000.00      40.231       9.353      49.584   9.26 0.143 0.600 0.191 0.837     364.995     370.000      10.429   12 
-     50000       10000.00      45.220      13.471      58.691   7.31 0.000 1.000 0.159 0.510     410.256     370.000      11.381   12 
-     60000       12000.00      34.248       5.580      39.828   9.78 0.071 0.667 0.152 0.200     310.712     370.000      13.713   12 
-     70000       14000.00      45.707       1.241      46.948   5.36 0.071 0.800 0.191 0.531     414.679     370.000       7.697   12 
-     80000       16000.00      46.515      21.970      68.485   6.87 0.071 0.750 0.239 0.850     422.005     370.000       8.401   12 
-     90000       18000.00      34.958       8.890      43.848   4.87 0.000 1.000 0.242 0.558     317.161     370.000       7.690   12 
-    100000       20000.00      43.037       5.480      48.518   5.17 0.071 0.750 0.489 0.199     390.458     370.000       7.915   12 
-    110000       22000.00      39.447       8.236      47.683   4.87 0.071 0.800 0.182 0.546     357.884     360.000       8.497   12 
-    120000       24000.00      31.853       8.712      40.565   5.55 0.000 1.000 0.477 0.428     288.991     360.000       9.304   12 
-    130000       26000.00      35.526      14.559      50.084   8.52 0.000   NaN   NaN 0.984     322.308     360.000      12.353   12 
-    140000       28000.00      36.661       3.563      40.224   7.66 0.071 0.750 0.239 0.848     332.607     360.000       9.026   12 
-    150000       30000.00      30.750       3.560      34.310   4.42 0.000 1.000 0.197 0.570     278.980     360.000       7.780   12 
-    160000       32000.00      40.209      12.083      52.293   7.85 0.071 0.500 0.182 0.610     364.798     360.000      12.656   12 
-    170000       34000.00      47.738       0.069      47.807   5.09 0.071 0.500 0.318 0.902     433.103     360.000       7.731   12 
-    180000       36000.00      34.152      16.327      50.480   7.23 0.000 1.000 0.197 0.343     309.848     360.000      10.500   12 
-    190000       38000.00      37.685     -10.389      27.296   4.50 0.143 0.750 0.381 0.260     341.896     360.000       6.813   12 
-    200000       40000.00      46.121       7.302      53.423   5.86 0.071 0.750 0.295 0.516     418.433     360.000       9.467   12 
-    210000       42000.00      31.661      -2.326      29.335   3.89 0.214 0.625 0.278 0.527     287.245     350.000       7.134   12 
-    220000       44000.00      42.865      -3.189      39.676   5.97 0.071 0.800 0.336 1.371     388.896     350.000       7.754   12 
-    230000       46000.00      38.121      10.496      48.617   5.54 0.000 1.000 0.295 0.445     345.856     350.000       7.740   12 
-    240000       48000.00      43.939      14.500      58.439   7.12 0.143 0.750 0.318 0.797     398.637     350.000       7.787   12 
-    250000       50000.00      30.252      -4.717      25.534   6.75 0.071 0.889 0.328 0.880     274.459     350.000       8.073   12 
-    260000       52000.00      35.062       4.639      39.702   9.08 0.143 0.600 0.173 0.973     318.101     350.000      11.584   12 
-    270000       54000.00      46.290       0.575      46.864   7.78 0.071 0.750 0.261 0.601     419.963     350.000      10.185   12 
-    280000       56000.00      29.905      13.722      43.627   5.29 0.071 0.000 0.182 0.237     271.318     350.000       9.720   12 
-    290000       58000.00      32.157      -5.294      26.863   3.64 0.071 0.875 0.250 0.499     291.742     350.000       7.192   12 
-    300000       60000.00      39.716      -2.861      36.854   4.38 0.071 0.833 0.364 0.553     360.321     350.000       7.294   12 
-    310000       62000.00      39.796      -9.288      30.508   5.60 0.143 0.667 0.235 0.323     361.050     340.000       9.005   12 
-    320000       64000.00      37.593      -6.866      30.727   5.74 0.143 0.667 0.250 0.414     341.064     340.000       8.305   12 
-    330000       66000.00      39.735      -8.440      31.294   7.29 0.071 0.900 0.314 0.851     360.495     340.000       7.030   12 
-    340000       68000.00      39.520      -1.703      37.817   4.52 0.143 0.750 0.398 0.784     358.550     340.000       7.483   12 
-    350000       70000.00      30.437      -4.699      25.739   5.80 0.071 0.750 0.227 0.343     276.141     340.000       8.622   12 
-    360000       72000.00      28.316      -4.128      24.188   4.41 0.143 0.714 0.208 0.293     256.899     340.000       7.238   12 
-    370000       74000.00      36.055       2.033      38.088   5.84 0.071 0.923 0.381 0.366     327.107     340.000       8.583   12 
-    380000       76000.00      32.163       2.992      35.155   6.44 0.000 1.000 0.236 0.845     291.802     340.000       9.569   12 
-    390000       78000.00      31.481       4.240      35.721   6.11 0.071 0.833 0.341 0.496     285.609     340.000       7.422   12 
-    400000       80000.00      29.157      -0.310      28.847   9.24 0.071 0.500 0.159 0.196     264.527     340.000      12.670   12 
-    410000       82000.00      45.005       8.334      53.340   5.88 0.071 0.750 0.205 1.012     408.313     370.000       8.406   12 
-    420000       84000.00      40.735       0.172      40.907   5.37 0.214 0.571 0.357 0.490     369.567     370.000       7.880   12 
-    430000       86000.00      35.703       6.905      42.608   4.73 0.071 0.857 0.383 0.736     323.918     370.000       7.753   12 
-    440000       88000.00      37.134      13.461      50.595   6.52 0.000 1.000 0.182 0.507     336.903     370.000      10.237   12 
-    450000       90000.00      38.836      14.810      53.647   5.73 0.071 0.000 0.182 0.461     352.343     370.000       9.483   12 
-    460000       92000.00      39.880      -4.961      34.919   4.87 0.214 0.750 0.462 0.385     361.807     370.000       7.085   12 
-    470000       94000.00      49.755      10.629      60.384   5.74 0.143 0.750 0.290 0.751     451.401     370.000       9.171   12 
-    480000       96000.00      39.172       9.808      48.979   9.10 0.071 0.667 0.152 0.774     355.388     370.000      10.768   12 
-    490000       98000.00      33.781       0.903      34.683   4.94 0.000 1.000 0.477 0.666     306.477     370.000       8.089   12 
-    500000      100000.00      35.308      15.838      51.146  10.70 0.000 1.000 0.212 0.817     320.329     370.000      13.591   12 
-    510000      102000.00      32.377       3.968      36.345   5.93 0.143 0.750 0.278 1.006     293.744     360.000       7.722   12 
-    520000      104000.00      31.660       8.449      40.109   6.54 0.214 0.500 0.326 0.754     287.233     360.000       8.830   12 
-    530000      106000.00      38.634       3.904      42.538   6.07 0.000 1.000 0.227 0.342     350.508     360.000       9.147   12 
-    540000      108000.00      25.970       8.072      34.042   5.06 0.071 0.000 0.182 0.838     235.612     360.000       8.997   12 
-    550000      110000.00      37.343       1.178      38.521   5.40 0.000 1.000 0.382 0.361     338.798     360.000       7.867   12 
-    560000      112000.00      40.169       4.068      44.236   5.58 0.143 0.833 0.326 0.700     364.430     360.000       7.220   12 
-    570000      114000.00      43.260       4.494      47.753   6.50 0.214 0.727 0.289 0.214     392.473     360.000       7.819   12 
-    580000      116000.00      37.645       4.755      42.399   6.86 0.071 0.750 0.170 0.161     341.533     360.000       9.290   12 
-    590000      118000.00      38.773       9.184      47.957   5.19 0.071 0.500 0.136 0.890     351.771     360.000       8.344   12 
-    600000      120000.00      51.315      -9.550      41.766   3.44 0.143 0.818 0.343 1.083     465.560     360.000       6.843   12 
-    610000      122000.00      45.434       3.785      49.219   4.67 0.000 1.000 0.236 0.966     412.204     350.000       7.985   12 
-    620000      124000.00      30.401       2.453      32.854   5.86 0.071 0.667 0.273 0.796     275.817     350.000      10.131   12 
-    630000      126000.00      32.091       0.226      32.317   6.33 0.071 0.875 0.420 1.102     291.144     350.000       6.842   12 
-    640000      128000.00      30.913      -6.205      24.708   3.85 0.214 0.727 0.273 0.556     280.462     350.000       7.192   12 
-    650000      130000.00      29.503       2.546      32.049   6.00 0.071 0.889 0.480 0.228     267.668     350.000       7.945   12 
-    660000      132000.00      41.665      -0.799      40.866   5.07 0.214 0.700 0.214 0.347     378.005     350.000       7.461   12 
-    670000      134000.00      29.905      -0.841      29.065   4.83 0.071 0.667 0.333 0.374     271.315     350.000       8.084   12 
-    680000      136000.00      30.034      -5.253      24.782   3.52 0.214 0.500 0.258 0.421     272.488     350.000       7.811   12 
-    690000      138000.00      41.701      12.851      54.553   6.18 0.143 0.600 0.200 0.446     378.336     350.000       9.293   12 
-    700000      140000.00      31.153      10.645      41.797   6.60 0.071 0.875 0.449 0.333     282.633     350.000       7.929   12 
-    710000      142000.00      33.592     -18.448      15.144   4.24 0.286 0.667 0.189 0.449     304.768     340.000       6.893   12 
-    720000      144000.00      34.248      -6.861      27.387   3.84 0.071 0.750 0.227 0.492     310.713     340.000       7.695   12 
-    730000      146000.00      36.715       0.162      36.876   6.14 0.143 0.714 0.253 0.450     333.094     340.000       9.032   12 
-    740000      148000.00      31.477     -13.285      18.191   3.97 0.000 1.000 0.338 0.242     285.573     340.000       6.326   12 
-    750000      150000.00      33.762       8.272      42.034   5.20 0.000 1.000 0.242 1.259     306.308     340.000       8.021   12 
-    760000      152000.00      31.411      -7.641      23.770   5.83 0.286 0.636 0.322 0.585     284.976     340.000       7.196   12 
-    770000      154000.00      31.587      -9.877      21.710   4.68 0.357 0.667 0.376 0.642     286.575     340.000       7.456   12 
-    780000      156000.00      27.184       3.106      30.290   4.62 0.000 1.000 0.352 0.719     246.623     340.000       7.811   12 
-    790000      158000.00      30.088      -9.521      20.567   4.85 0.143 0.750 0.324 0.952     272.974     340.000       7.153   12 
-    800000      160000.00      27.912       4.741      32.654   3.60 0.214 0.400 0.200 0.698     253.234     340.000       7.922   12 
-    810000      162000.00      28.249     -11.468      16.782   2.75 0.286 0.636 0.384 0.867     256.291     330.000       7.086   12 
-    820000      164000.00      32.742      -9.788      22.954   4.18 0.143 0.714 0.195 1.061     297.048     330.000       6.933   12 
-    830000      166000.00      31.746      -5.726      26.020   5.46 0.143 0.750 0.233 0.448     288.019     330.000       7.785   12 
-    840000      168000.00      29.571      -5.837      23.734   7.30 0.143 0.667 0.197 0.521     268.280     330.000       8.663   12 
-    850000      170000.00      33.929      -0.046      33.882   4.44 0.143 0.750 0.330 0.426     307.818     330.000       7.647   12 
-    860000      172000.00      25.600      -3.126      22.473   5.01 0.143 0.750 0.227 0.259     232.254     330.000       7.752   12 
-    870000      174000.00      43.262      -7.306      35.956   4.34 0.143 0.833 0.352 0.498     392.496     330.000       7.492   12 
-    880000      176000.00      35.699       0.885      36.583   8.16 0.000 1.000 0.182 0.823     323.876     330.000      10.366   12 
-    890000      178000.00      29.235     -13.921      15.314   3.31 0.357 0.667 0.361 0.259     265.234     330.000       6.399   12 
-    900000      180000.00      41.603       2.507      44.110   6.04 0.071 0.800 0.309 0.808     377.440     330.000       7.923   12 
-    910000      182000.00      38.262       2.189      40.451   5.61 0.000 1.000 0.506 0.247     347.136     360.000       7.964   12 
-    920000      184000.00      32.216       4.578      36.794   5.63 0.000 1.000 0.136 0.519     292.284     360.000       8.016   12 
-    930000      186000.00      38.501      16.134      54.635   4.76 0.143 0.333 0.152 1.007     349.300     360.000       9.619   12 
-    940000      188000.00      39.064       2.876      41.941   8.16 0.143 0.800 0.241 0.533     354.412     360.000       9.673   12 
-    950000      190000.00      39.137       8.763      47.900   6.44 0.071 0.833 0.265 0.832     355.071     360.000       9.682   12 
-    960000      192000.00      21.084       6.168      27.252   5.91 0.143 0.714 0.195 0.334     191.283     360.000       8.957   12 
-    970000      194000.00      36.276      14.294      50.570   5.88 0.000 1.000 0.258 0.522     329.113     360.000       9.459   12 
-    980000      196000.00      38.847       1.453      40.299   5.68 0.143 0.750 0.301 0.350     352.437     360.000       8.130   12 
-    990000      198000.00      39.892      14.482      54.374   9.99 0.000 1.000 0.227 1.004     361.924     360.000      12.831   12 
-   1000000      200000.00      27.824       7.858      35.682   5.47 0.071 0.750 0.330 1.043     252.432     360.000       9.776   12