Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / with_constrains / Berendsen / ff_gab / 1L2Y_REMD_GB013.stat

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB013.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
deleted file mode 100644 (file)
index 501dd3c..0000000
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.779     671.033     711.812   0.00 1.000 0.000 0.308 8.654     369.966     380.000       7.001   13 
-     10000        2000.00      37.919       4.496      42.415   5.25 0.000 1.000 0.136 3.689     344.021     380.000       8.060   13 
-     20000        4000.00      40.041      13.304      53.345   7.03 0.000 1.000 0.159 2.189     363.269     380.000      10.770   13 
-     30000        6000.00      33.587       4.322      37.909   7.89 0.071 0.667 0.227 2.212     304.717     380.000      11.715   13 
-     40000        8000.00      37.313       3.933      41.246   5.70 0.000 1.000 0.273 1.383     338.519     380.000      10.614   13 
-     50000       10000.00      35.036      18.939      53.974  10.35 0.000   NaN   NaN 1.168     317.861     380.000      13.318   13 
-     60000       12000.00      34.137       6.069      40.206   9.69 0.000   NaN   NaN 1.511     309.705     380.000      13.458   13 
-     70000       14000.00      34.630       0.636      35.266   4.51 0.000 1.000 0.422 1.827     314.178     380.000       8.339   13 
-     80000       16000.00      38.347      10.494      48.841   6.90 0.000 1.000 0.159 1.859     347.904     380.000      10.271   13 
-     90000       18000.00      31.216      10.493      41.709   5.74 0.143 0.667 0.356 1.413     283.205     380.000       7.772   13 
-    100000       20000.00      33.125      15.289      48.414   9.90 0.000   NaN   NaN 1.375     300.529     380.000      14.156   13 
-    110000       22000.00      41.295       6.154      47.448  10.42 0.000 1.000 0.227 3.829     374.647     400.000      13.269   13 
-    120000       24000.00      48.327       4.676      53.003   6.25 0.071 0.000 0.182 1.605     438.449     400.000      10.043   13 
-    130000       26000.00      29.304      -3.075      26.229   5.25 0.071 0.500 0.182 1.824     265.861     400.000       9.547   13 
-    140000       28000.00      41.124      13.996      55.120  11.15 0.071 0.000 0.136 0.954     373.097     400.000      14.381   13 
-    150000       30000.00      43.501      -2.112      41.390   6.45 0.071 0.000 0.182 1.838     394.665     400.000       9.989   13 
-    160000       32000.00      42.340       3.948      46.288  11.61 0.143 0.000 0.136 1.196     384.127     400.000      14.990   13 
-    170000       34000.00      33.192      -2.342      30.850   4.28 0.071 0.750 0.466 3.348     301.135     400.000       7.818   13 
-    180000       36000.00      45.655      21.607      67.262   6.59 0.071 0.500 0.159 2.717     414.210     400.000       9.216   13 
-    190000       38000.00      38.547       1.205      39.752   7.73 0.143 0.333 0.167 1.292     349.720     400.000      11.067   13 
-    200000       40000.00      46.502      -0.610      45.891   7.07 0.071 0.500 0.250 1.473     421.888     400.000       8.870   13 
-    210000       42000.00      34.411      -8.118      26.293   4.13 0.214 0.400 0.191 1.801     312.192     390.000       8.158   13 
-    220000       44000.00      32.072       8.597      40.669  11.73 0.000 1.000 0.273 1.816     290.972     390.000      14.334   13 
-    230000       46000.00      35.616       5.905      41.521   6.60 0.143 0.600 0.227 1.739     323.125     390.000       8.270   13 
-    240000       48000.00      41.151       8.476      49.627   6.32 0.000 1.000 0.205 1.860     373.346     390.000      10.347   13 
-    250000       50000.00      39.809      -0.696      39.114   7.44 0.071 0.500 0.318 2.300     361.172     390.000       8.643   13 
-    260000       52000.00      41.212      -2.961      38.251   6.02 0.071 0.000 0.182 2.140     373.895     390.000      10.513   13 
-    270000       54000.00      35.195      20.145      55.340   9.40 0.000 1.000 0.182 1.015     319.311     390.000      11.890   13 
-    280000       56000.00      35.086       2.466      37.552   5.27 0.143 0.500 0.182 0.814     318.317     390.000       8.725   13 
-    290000       58000.00      45.371      -4.600      40.772   4.70 0.143 0.500 0.159 2.358     411.631     390.000       8.983   13 
-    300000       60000.00      31.539      -1.962      29.577   7.07 0.000 1.000 0.227 1.615     286.142     390.000       9.428   13 
-    310000       62000.00      37.656     -11.150      26.507   3.98 0.071 0.800 0.500 1.775     341.638     380.000       7.743   13 
-    320000       64000.00      34.928       1.411      36.339   8.94 0.000   NaN   NaN 1.634     316.887     380.000      12.648   13 
-    330000       66000.00      38.663       2.323      40.986   6.44 0.071 0.800 0.236 1.605     350.771     380.000       8.938   13 
-    340000       68000.00      34.545      -9.907      24.638   6.01 0.071 0.500 0.386 0.986     313.410     380.000       9.391   13 
-    350000       70000.00      36.878      -9.295      27.584   8.77 0.000 1.000 0.250 1.231     334.578     380.000      11.356   13 
-    360000       72000.00      34.762       3.650      38.412   6.97 0.071 0.000 0.182 2.002     315.379     380.000      10.392   13 
-    370000       74000.00      41.720       1.588      43.308   9.07 0.000   NaN   NaN 2.952     378.507     380.000      12.983   13 
-    380000       76000.00      39.096       0.826      39.922   5.12 0.000 1.000 0.318 1.637     354.701     380.000       7.963   13 
-    390000       78000.00      32.751       2.268      35.018   5.84 0.143 0.750 0.261 2.298     297.132     380.000       8.093   13 
-    400000       80000.00      34.831      -6.146      28.684   8.60 0.000 1.000 0.136 2.066     316.000     380.000      11.012   13 
-    410000       82000.00      40.812     -13.781      27.031   5.23 0.143 0.714 0.325 1.300     370.264     370.000       7.999   13 
-    420000       84000.00      37.511      -1.333      36.178   4.79 0.071 0.500 0.386 2.170     340.317     370.000       8.526   13 
-    430000       86000.00      37.758      -0.212      37.546   6.61 0.071 0.500 0.182 1.433     342.557     370.000      10.267   13 
-    440000       88000.00      41.474      -2.048      39.425   6.31 0.000 1.000 0.307 2.292     376.272     370.000       9.618   13 
-    450000       90000.00      31.441       7.923      39.364   5.35 0.071 0.857 0.377 1.393     285.251     370.000       8.241   13 
-    460000       92000.00      36.558       9.705      46.263   5.78 0.000 1.000 0.500 1.812     331.675     370.000       7.918   13 
-    470000       94000.00      37.859       4.298      42.157   4.27 0.000 1.000 0.500 4.387     343.480     370.000       8.174   13 
-    480000       96000.00      37.020      -0.236      36.784   5.97 0.071 0.000 0.136 2.298     335.865     370.000       8.781   13 
-    490000       98000.00      44.357      10.856      55.213   8.97 0.071 0.000 0.182 2.829     402.428     370.000      12.275   13 
-    500000      100000.00      45.977       5.892      51.869   5.10 0.143 0.714 0.370 2.251     417.125     370.000       8.035   13 
-    510000      102000.00      37.049       0.989      38.038   5.88 0.071 0.667 0.136 1.312     336.124     360.000       9.557   13 
-    520000      104000.00      42.195      -2.425      39.770   5.01 0.071 0.500 0.159 1.265     382.810     360.000       9.004   13 
-    530000      106000.00      41.011     -17.090      23.921   5.33 0.071 0.750 0.216 1.981     372.070     360.000       8.121   13 
-    540000      108000.00      32.843       1.312      34.155   7.68 0.071 0.750 0.205 1.661     297.973     360.000       8.397   13 
-    550000      110000.00      40.355      -3.316      37.039   7.99 0.143 0.600 0.200 1.911     366.122     360.000      10.106   13 
-    560000      112000.00      39.109     -15.894      23.215   5.17 0.214 0.400 0.491 1.399     354.820     360.000       8.181   13 
-    570000      114000.00      44.613     -22.076      22.536   5.80 0.143 0.800 0.386 2.078     404.748     360.000       7.171   13 
-    580000      116000.00      43.007      -4.272      38.735   4.71 0.000 1.000 0.318 1.830     390.179     360.000       8.941   13 
-    590000      118000.00      31.527     -22.870       8.657   5.48 0.071 0.900 0.373 1.863     286.025     360.000       7.055   13 
-    600000      120000.00      32.656      -1.711      30.945   9.21 0.071 0.000 0.136 1.708     296.271     360.000      12.084   13 
-    610000      122000.00      41.035       7.016      48.051   7.27 0.000 1.000 0.227 2.208     372.294     400.000       9.400   13 
-    620000      124000.00      34.121       8.992      43.113   9.37 0.071 0.500 0.136 1.329     309.565     400.000      13.343   13 
-    630000      126000.00      39.907      -6.050      33.857   3.75 0.214 0.700 0.400 1.549     362.058     400.000       7.455   13 
-    640000      128000.00      35.235       6.561      41.796   9.59 0.000 1.000 0.182 1.819     319.670     400.000      11.674   13 
-    650000      130000.00      58.149      -0.370      57.779   5.11 0.143 0.000 0.159 1.491     527.558     400.000       9.466   13 
-    660000      132000.00      32.093       3.395      35.488   6.73 0.071 0.750 0.182 1.474     291.168     400.000       9.705   13 
-    670000      134000.00      35.389       7.846      43.235   4.74 0.000 1.000 0.212 2.063     321.070     400.000       9.370   13 
-    680000      136000.00      36.545      -0.184      36.360   5.20 0.071 0.800 0.509 1.030     331.551     400.000       7.588   13 
-    690000      138000.00      38.703      11.242      49.946   5.75 0.071 0.000 0.182 2.626     351.137     400.000       9.801   13 
-    700000      140000.00      33.960       1.228      35.188   8.06 0.000 1.000 0.227 0.978     308.105     400.000      11.998   13 
-    710000      142000.00      30.806      -2.480      28.326   7.30 0.000   NaN   NaN 2.835     279.490     390.000      11.112   13 
-    720000      144000.00      42.301       2.475      44.775   6.96 0.143 0.333 0.258 1.557     383.773     390.000       9.625   13 
-    730000      146000.00      45.369      -0.818      44.551   6.95 0.071 0.500 0.159 2.062     411.610     390.000      10.763   13 
-    740000      148000.00      37.251     -13.388      23.862   4.32 0.286 0.429 0.435 1.037     337.956     390.000       7.841   13 
-    750000      150000.00      32.964      12.544      45.508  10.54 0.000 1.000 0.182 2.393     299.065     390.000      13.217   13 
-    760000      152000.00      53.340       5.202      58.542   6.36 0.071 0.500 0.182 1.736     483.924     390.000      10.683   13 
-    770000      154000.00      45.735       5.856      51.591  10.00 0.000   NaN   NaN 2.575     414.936     390.000      13.467   13 
-    780000      156000.00      41.794      -6.191      35.603   4.87 0.286 0.556 0.510 1.857     379.178     390.000       7.795   13 
-    790000      158000.00      37.794      -8.611      29.182   5.49 0.000 1.000 0.250 0.761     342.883     390.000       9.564   13 
-    800000      160000.00      39.713       2.503      42.216   7.25 0.143 0.333 0.152 1.762     360.293     390.000      10.503   13 
-    810000      162000.00      34.022      15.362      49.384   7.08 0.000 1.000 0.136 1.544     308.663     380.000      10.788   13 
-    820000      164000.00      38.302       8.403      46.705   9.59 0.214 0.000 0.136 2.028     347.498     380.000      13.598   13 
-    830000      166000.00      34.638       0.914      35.552   6.39 0.071 0.000 0.136 2.587     314.254     380.000       9.705   13 
-    840000      168000.00      37.131       4.325      41.456   6.16 0.071 0.750 0.216 2.049     336.871     380.000       8.467   13 
-    850000      170000.00      42.135      -8.322      33.813   6.22 0.000 1.000 0.318 1.001     382.271     380.000       9.380   13 
-    860000      172000.00      31.042       5.273      36.315   8.32 0.214 0.250 0.148 2.187     281.630     380.000      10.515   13 
-    870000      174000.00      50.748      -0.697      50.051   8.63 0.000 1.000 0.136 1.936     460.411     380.000      12.095   13 
-    880000      176000.00      40.818       8.886      49.704   6.77 0.000 1.000 0.327 1.306     370.326     380.000       7.777   13 
-    890000      178000.00      39.825      -1.544      38.281   8.56 0.000   NaN   NaN 1.306     361.310     380.000      13.387   13 
-    900000      180000.00      33.608      -1.055      32.553   7.10 0.071 0.500 0.182 2.846     304.910     380.000      10.934   13 
-    910000      182000.00      34.832      -6.826      28.006   7.07 0.000 1.000 0.167 1.761     316.017     370.000      10.355   13 
-    920000      184000.00      35.335      -2.112      33.223   7.89 0.000   NaN   NaN 1.524     320.580     370.000       9.969   13 
-    930000      186000.00      39.290      -1.712      37.577   4.70 0.071 0.833 0.280 1.194     356.457     370.000       8.210   13 
-    940000      188000.00      33.012      -7.368      25.644   8.81 0.071 0.500 0.136 3.097     299.502     370.000      12.276   13 
-    950000      190000.00      28.388      -6.842      21.546   6.79 0.071 0.667 0.197 2.122     257.550     370.000      11.269   13 
-    960000      192000.00      43.350      15.610      58.960   5.43 0.143 0.000 0.159 3.370     393.297     370.000       9.084   13 
-    970000      194000.00      29.094      -0.575      28.519   7.98 0.357 0.286 0.182 1.835     263.957     370.000      10.850   13 
-    980000      196000.00      32.035     -14.376      17.659   4.85 0.214 0.400 0.155 1.859     290.640     370.000       9.543   13 
-    990000      198000.00      41.580     -10.190      31.390   4.44 0.214 0.400 0.155 1.590     377.237     370.000       8.075   13 
-   1000000      200000.00      39.977      17.191      57.168   5.47 0.143 0.333 0.197 1.391     362.690     370.000       9.001   13