Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres into adasko

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

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB012.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB012.stat
deleted file mode 100644 (file)
index 840b079..0000000
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB012.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      26.618     670.244     696.862   0.00 1.000 0.000 0.308 8.655     241.491     370.000       7.001   12 
-     10000        2000.00      26.271     -11.015      15.256   4.15 0.214 0.700 0.250 1.685     238.345     370.000       7.831   12 
-     20000        4000.00      31.440       6.638      38.078   6.35 0.143 0.500 0.341 2.194     285.241     370.000       7.313   12 
-     30000        6000.00      37.645       2.800      40.445   6.40 0.071 0.667 0.258 1.024     341.533     370.000      10.495   12 
-     40000        8000.00      41.730      -1.754      39.976   7.20 0.071 0.000 0.136 2.714     378.597     370.000      11.750   12 
-     50000       10000.00      42.204      -2.915      39.289   8.23 0.000   NaN   NaN 2.359     382.899     370.000      11.305   12 
-     60000       12000.00      31.337      -2.640      28.698   8.19 0.000 1.000 0.273 1.848     284.309     370.000      11.159   12 
-     70000       14000.00      49.177     -13.602      35.575   5.58 0.000 1.000 0.288 1.604     446.155     370.000       8.495   12 
-     80000       16000.00      43.641       8.258      51.899   6.90 0.000 1.000 0.159 1.802     395.930     370.000      11.539   12 
-     90000       18000.00      37.474      -4.447      33.027   7.18 0.071 0.833 0.205 1.366     339.980     370.000       8.362   12 
-    100000       20000.00      38.898      -0.912      37.985   7.46 0.071 0.750 0.182 2.311     352.900     370.000      10.567   12 
-    110000       22000.00      43.448      -3.659      39.788   7.49 0.071 0.000 0.182 3.058     394.180     360.000      10.674   12 
-    120000       24000.00      28.967      -4.006      24.960   6.60 0.071 0.667 0.273 1.598     262.801     360.000       9.146   12 
-    130000       26000.00      37.170       8.851      46.021   7.29 0.000   NaN   NaN 2.495     337.223     360.000      11.075   12 
-    140000       28000.00      29.163       0.868      30.031   7.87 0.071 0.000 0.182 1.517     264.584     360.000      11.831   12 
-    150000       30000.00      31.605       2.873      34.479   4.89 0.000 1.000 0.716 2.712     286.739     360.000       7.455   12 
-    160000       32000.00      43.539      -6.329      37.210   5.42 0.143 0.600 0.209 2.771     395.011     360.000       9.386   12 
-    170000       34000.00      44.703      -1.099      43.603   5.89 0.071 0.750 0.216 1.970     405.565     360.000       8.649   12 
-    180000       36000.00      32.610       5.314      37.923   5.96 0.000 1.000 0.330 1.507     295.853     360.000       8.336   12 
-    190000       38000.00      33.771      13.439      47.210   4.59 0.071 0.667 0.273 1.746     306.387     360.000       8.337   12 
-    200000       40000.00      43.946      13.912      57.858   9.35 0.000   NaN   NaN 2.729     398.698     360.000      12.955   12 
-    210000       42000.00      35.305      -4.886      30.419   9.36 0.000   NaN   NaN 1.503     320.306     400.000      13.545   12 
-    220000       44000.00      45.503       6.378      51.881   7.34 0.000   NaN   NaN 1.318     412.822     400.000      10.712   12 
-    230000       46000.00      39.846       6.412      46.258   5.24 0.071 0.000 0.136 2.155     361.503     400.000       9.724   12 
-    240000       48000.00      46.064      -2.325      43.739   6.51 0.071 0.667 0.333 2.070     417.919     400.000       9.171   12 
-    250000       50000.00      30.798       1.885      32.683   7.12 0.143 0.000 0.159 1.024     279.414     400.000      10.736   12 
-    260000       52000.00      45.350       8.168      53.518   6.37 0.000 1.000 0.227 0.951     411.436     400.000       9.135   12 
-    270000       54000.00      45.388       7.929      53.317   5.82 0.143 0.333 0.182 1.009     411.782     400.000      10.747   12 
-    280000       56000.00      35.895      -6.707      29.188   9.87 0.143 0.000 0.159 1.002     325.655     400.000      13.242   12 
-    290000       58000.00      44.909      -9.043      35.866   5.59 0.000   NaN   NaN 1.475     407.437     400.000       9.328   12 
-    300000       60000.00      36.986       9.021      46.007   4.55 0.214 0.400 0.336 2.677     335.554     400.000       7.817   12 
-    310000       62000.00      40.602       7.051      47.652   4.68 0.071 0.500 0.182 2.515     368.361     390.000       8.370   12 
-    320000       64000.00      39.729      -0.744      38.985   4.75 0.071 0.833 0.568 2.446     360.444     390.000       8.392   12 
-    330000       66000.00      39.147      -3.091      36.056   5.32 0.071 0.800 0.182 2.680     355.158     390.000       8.025   12 
-    340000       68000.00      40.434       1.878      42.312   5.81 0.000 1.000 0.500 2.152     366.843     390.000       9.210   12 
-    350000       70000.00      37.125      -2.987      34.138  10.18 0.000 1.000 0.205 2.463     336.820     390.000      14.447   12 
-    360000       72000.00      29.681      -5.639      24.042   9.97 0.071 0.500 0.136 2.473     269.278     390.000      13.129   12 
-    370000       74000.00      38.004       3.780      41.784   8.10 0.000 1.000 0.227 1.434     344.793     390.000      10.599   12 
-    380000       76000.00      38.378      -2.571      35.807   6.14 0.071 0.000 0.136 1.805     348.181     390.000       9.215   12 
-    390000       78000.00      34.991      -6.539      28.452   3.80 0.214 0.250 0.250 1.344     317.457     390.000       8.228   12 
-    400000       80000.00      38.597     -13.259      25.339   5.52 0.071 0.750 0.273 2.157     350.173     390.000       9.046   12 
-    410000       82000.00      45.405      -4.262      41.143   7.78 0.071 0.667 0.227 2.423     411.939     380.000       9.256   12 
-    420000       84000.00      46.229      -6.213      40.015   5.06 0.071 0.750 0.205 2.538     419.412     380.000       8.856   12 
-    430000       86000.00      37.829      -3.693      34.137   6.72 0.071 0.000 0.136 1.353     343.209     380.000      10.598   12 
-    440000       88000.00      36.490       3.294      39.784   8.11 0.000 1.000 0.182 2.424     331.055     380.000       9.558   12 
-    450000       90000.00      43.320      -7.289      36.030   6.03 0.071 0.500 0.205 0.988     393.020     380.000       9.380   12 
-    460000       92000.00      41.241      -4.261      36.980   4.13 0.143 0.750 0.398 1.208     374.158     380.000       7.322   12 
-    470000       94000.00      49.635       9.118      58.753   7.30 0.071 0.000 0.136 2.644     450.311     380.000      11.584   12 
-    480000       96000.00      40.914      -6.870      34.044   5.70 0.071 0.750 0.398 1.675     371.196     380.000       7.464   12 
-    490000       98000.00      28.925     -13.095      15.830   6.63 0.071 0.800 0.291 2.376     262.419     380.000       8.440   12 
-    500000      100000.00      38.061      -4.793      33.268   5.59 0.071 0.750 0.227 1.699     345.310     380.000       9.316   12 
-    510000      102000.00      34.216      -7.176      27.040   5.12 0.143 0.000 0.136 2.079     310.427     370.000       9.670   12 
-    520000      104000.00      30.518     -15.603      14.915   4.65 0.214 0.625 0.250 1.025     276.872     370.000       7.561   12 
-    530000      106000.00      40.059       1.770      41.830   6.59 0.071 0.667 0.182 3.853     363.438     370.000      10.210   12 
-    540000      108000.00      26.033      -7.939      18.094   3.95 0.143 0.500 0.261 1.191     236.188     370.000       8.511   12 
-    550000      110000.00      34.484     -10.172      24.312   8.17 0.000 1.000 0.145 1.006     312.861     370.000      10.369   12 
-    560000      112000.00      41.863       2.519      44.383  10.03 0.000 1.000 0.136 1.815     379.806     370.000      12.976   12 
-    570000      114000.00      45.086       7.654      52.740   5.58 0.000 1.000 0.250 2.393     409.044     370.000       9.813   12 
-    580000      116000.00      39.433       6.534      45.967   7.68 0.071 0.500 0.159 1.255     357.753     370.000      10.879   12 
-    590000      118000.00      36.202      -8.531      27.671   9.74 0.071 0.500 0.182 2.784     328.439     370.000      12.144   12 
-    600000      120000.00      48.606       3.310      51.916   8.28 0.000 1.000 0.205 3.272     440.978     370.000      11.652   12 
-    610000      122000.00      52.808      -7.150      45.658   4.04 0.000 1.000 0.288 4.603     479.100     400.000       8.504   12 
-    620000      124000.00      37.038      -0.886      36.152   6.19 0.071 0.667 0.424 3.402     336.032     400.000       9.595   12 
-    630000      126000.00      40.205       8.641      48.845   8.85 0.143 0.000 0.159 2.007     364.758     400.000      12.597   12 
-    640000      128000.00      32.574      14.400      46.974   5.28 0.071 0.800 0.282 1.980     295.527     400.000       8.435   12 
-    650000      130000.00      32.157      -3.156      29.001   6.48 0.071 0.000 0.136 0.692     291.742     400.000      10.859   12 
-    660000      132000.00      44.881       5.899      50.780   7.23 0.071 0.000 0.182 3.376     407.183     400.000      11.267   12 
-    670000      134000.00      33.197      10.807      44.004   5.58 0.000   NaN   NaN 1.093     301.179     400.000       9.921   12 
-    680000      136000.00      34.280       7.389      41.669   7.16 0.000   NaN   NaN 1.453     311.003     400.000      11.859   12 
-    690000      138000.00      40.675       3.777      44.452  10.31 0.143 0.000 0.159 2.106     369.023     400.000      14.079   12 
-    700000      140000.00      33.165      -2.288      30.877   8.03 0.000 1.000 0.182 2.098     300.890     400.000      11.943   12 
-    710000      142000.00      36.135      10.065      46.200   5.77 0.143 0.333 0.197 4.785     327.837     390.000       7.322   12 
-    720000      144000.00      39.736       2.991      42.726   5.89 0.000 1.000 0.227 1.392     360.503     390.000       8.270   12 
-    730000      146000.00      35.695      -1.601      34.094   6.50 0.071 0.750 0.398 2.475     323.847     390.000       8.905   12 
-    740000      148000.00      33.195       5.154      38.349   7.63 0.000 1.000 0.182 1.717     301.166     390.000      10.713   12 
-    750000      150000.00      38.834      -2.515      36.320   5.56 0.071 0.750 0.534 1.918     352.327     390.000       7.822   12 
-    760000      152000.00      41.407     -15.963      25.444   5.99 0.071 0.800 0.400 1.569     375.665     390.000       8.139   12 
-    770000      154000.00      33.838      12.708      46.546   5.67 0.000   NaN   NaN 1.657     306.996     390.000       9.290   12 
-    780000      156000.00      29.217     -14.795      14.423   7.05 0.071 0.500 0.182 2.925     265.076     390.000       7.668   12 
-    790000      158000.00      38.434      -0.101      38.333   7.56 0.000 1.000 0.136 2.418     348.694     390.000      10.759   12 
-    800000      160000.00      31.058       2.550      33.608   7.95 0.071 0.667 0.152 1.368     281.776     390.000      12.202   12 
-    810000      162000.00      31.133      -0.711      30.422   8.57 0.071 0.500 0.227 1.305     282.458     380.000      12.358   12 
-    820000      164000.00      41.862       3.130      44.992   6.03 0.000 1.000 0.245 2.681     379.798     380.000       9.818   12 
-    830000      166000.00      38.276      17.479      55.755   6.67 0.000   NaN   NaN 1.686     347.259     380.000      10.148   12 
-    840000      168000.00      31.250     -17.141      14.109   5.63 0.143 0.750 0.176 2.893     283.514     380.000       8.021   12 
-    850000      170000.00      35.443     -17.142      18.301   7.08 0.143 0.667 0.258 2.351     321.553     380.000       8.373   12 
-    860000      172000.00      31.193     -14.320      16.873   8.05 0.071 0.667 0.227 1.499     283.001     380.000      11.985   12 
-    870000      174000.00      48.211       7.115      55.326   7.71 0.286 0.333 0.167 1.436     437.397     380.000      11.668   12 
-    880000      176000.00      41.959      -2.944      39.016   9.53 0.000 1.000 0.136 3.297     380.677     380.000      12.605   12 
-    890000      178000.00      31.185      15.754      46.939   9.60 0.000 1.000 0.136 1.967     282.924     380.000      11.962   12 
-    900000      180000.00      43.243       4.999      48.242   4.82 0.071 0.667 0.318 2.549     392.319     380.000       7.582   12 
-    910000      182000.00      37.731       2.705      40.436   6.82 0.143 0.600 0.200 0.717     342.312     370.000       9.397   12 
-    920000      184000.00      31.149       6.631      37.781   9.48 0.071 0.500 0.182 1.241     282.603     370.000      12.613   12 
-    930000      186000.00      32.352      -2.140      30.212   5.65 0.071 0.000 0.136 1.745     293.513     370.000       8.466   12 
-    940000      188000.00      37.099      -1.227      35.872   9.24 0.071 0.667 0.152 2.007     336.583     370.000      12.302   12 
-    950000      190000.00      33.597       7.292      40.889   9.27 0.000 1.000 0.182 2.247     304.809     370.000      11.420   12 
-    960000      192000.00      24.700      -8.028      16.673   6.08 0.214 0.571 0.325 1.061     224.094     370.000       7.567   12 
-    970000      194000.00      35.486      -3.846      31.641   5.23 0.143 0.500 0.500 1.036     321.952     370.000       9.558   12 
-    980000      196000.00      37.556      -5.124      32.432   4.99 0.214 0.500 0.258 2.328     340.731     370.000       8.352   12 
-    990000      198000.00      44.583      -1.089      43.494   7.13 0.143 0.714 0.253 3.421     404.482     370.000       7.723   12 
-   1000000      200000.00      28.331      -4.910      23.422   6.31 0.143 0.714 0.364 2.067     257.037     370.000       7.048   12