Merge branch 'prerelease-3.2.1' into czarek

[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 46e16c6..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      33.024      -6.513      26.511   6.26 0.000 1.000 0.439 1.388     299.614     370.000       8.638   12 
-     20000        4000.00      36.982       6.565      43.547   9.33 0.000 1.000 0.136 3.468     335.522     370.000      13.514   12 
-     30000        6000.00      38.465       9.552      48.017   7.57 0.000 1.000 0.227 2.062     348.976     370.000      11.979   12 
-     40000        8000.00      36.770       5.642      42.412   6.02 0.000 1.000 0.227 1.310     333.600     370.000       9.365   12 
-     50000       10000.00      46.769       9.148      55.916   5.93 0.000 1.000 0.182 2.801     424.308     370.000      10.289   12 
-     60000       12000.00      33.865      -3.387      30.478   6.63 0.071 0.500 0.205 1.463     307.240     370.000      10.436   12 
-     70000       14000.00      42.384       2.827      45.211   4.91 0.143 0.600 0.473 1.315     384.534     370.000       8.689   12 
-     80000       16000.00      51.254      -6.126      45.128   4.21 0.071 0.500 0.182 1.123     465.007     370.000       9.334   12 
-     90000       18000.00      34.033      -0.202      33.831   7.05 0.071 0.857 0.331 2.003     308.768     370.000       7.785   12 
-    100000       20000.00      37.469       3.938      41.408   4.70 0.071 0.667 0.242 3.312     339.940     370.000       8.549   12 
-    110000       22000.00      42.270      -2.925      39.345   8.25 0.071 0.500 0.136 2.164     383.493     360.000      11.384   12 
-    120000       24000.00      35.930     -24.151      11.779   4.20 0.286 0.429 0.383 1.676     325.980     360.000       8.022   12 
-    130000       26000.00      33.579      -7.082      26.497   5.07 0.143 0.800 0.550 2.578     304.645     360.000       7.224   12 
-    140000       28000.00      29.877      -5.365      24.511   7.82 0.000 1.000 0.227 1.884     271.059     360.000      11.238   12 
-    150000       30000.00      29.277      -5.227      24.050   5.10 0.143 0.333 0.424 1.406     265.620     360.000       8.810   12 
-    160000       32000.00      41.107      -2.393      38.714   6.22 0.000 1.000 0.212 2.831     372.943     360.000      10.428   12 
-    170000       34000.00      43.774      -1.277      42.497   7.37 0.000 1.000 0.191 2.851     397.140     360.000       8.653   12 
-    180000       36000.00      33.471      -5.446      28.025   4.97 0.000 1.000 0.227 2.173     303.667     360.000       8.607   12 
-    190000       38000.00      40.481     -10.260      30.221   4.75 0.214 0.400 0.264 2.587     367.265     360.000       7.808   12 
-    200000       40000.00      45.518      -4.940      40.578   5.25 0.071 0.500 0.386 2.207     412.965     360.000       9.226   12 
-    210000       42000.00      29.379      -8.637      20.742   6.09 0.214 0.500 0.470 1.491     266.540     350.000       7.575   12 
-    220000       44000.00      33.801       4.888      38.689   4.94 0.357 0.375 0.227 2.392     306.662     350.000       8.238   12 
-    230000       46000.00      34.213     -13.171      21.043   3.84 0.214 0.750 0.258 2.057     310.400     350.000       7.840   12 
-    240000       48000.00      39.879       0.422      40.302   9.69 0.000 1.000 0.205 1.483     361.807     350.000      13.610   12 
-    250000       50000.00      30.068     -11.946      18.122   6.82 0.143 0.778 0.369 1.311     272.795     350.000       6.773   12 
-    260000       52000.00      36.908      -8.849      28.059   4.73 0.000 1.000 0.491 1.163     334.851     350.000       7.876   12 
-    270000       54000.00      39.812       0.041      39.853   6.03 0.143 0.800 0.327 1.363     361.197     350.000       7.630   12 
-    280000       56000.00      31.400      -0.743      30.657   7.88 0.071 0.500 0.159 1.948     284.878     350.000      11.006   12 
-    290000       58000.00      34.490       4.356      38.846   5.22 0.071 0.750 0.170 1.528     312.908     350.000       9.172   12 
-    300000       60000.00      33.353     -16.967      16.385   5.74 0.143 0.818 0.401 2.097     302.592     350.000       6.684   12 
-    310000       62000.00      36.600     -17.237      19.363   3.81 0.357 0.615 0.374 1.775     332.050     340.000       6.813   12 
-    320000       64000.00      34.016     -12.546      21.470   8.28 0.214 0.000 0.152 1.765     308.610     340.000      12.305   12 
-    330000       66000.00      34.690     -11.745      22.946   6.82 0.143 0.600 0.173 1.961     314.730     340.000       8.880   12 
-    340000       68000.00      36.217     -13.949      22.268   3.98 0.071 0.833 0.394 2.510     328.581     340.000       7.451   12 
-    350000       70000.00      23.332     -11.833      11.499   5.50 0.286 0.429 0.253 1.654     211.682     340.000       7.552   12 
-    360000       72000.00      26.086     -26.590      -0.504   6.49 0.071 0.800 0.309 1.568     236.667     340.000       7.639   12 
-    370000       74000.00      30.452      -3.730      26.722   5.46 0.071 0.667 0.212 3.537     276.279     340.000       8.358   12 
-    380000       76000.00      29.617      -8.973      20.644   4.71 0.143 0.600 0.327 3.418     268.705     340.000       8.625   12 
-    390000       78000.00      30.982     -13.848      17.135   5.10 0.071 0.667 0.288 1.600     281.089     340.000       8.179   12 
-    400000       80000.00      25.153       0.304      25.457   4.92 0.071 0.750 0.239 2.946     228.201     340.000       8.613   12 
-    410000       82000.00      44.569      -7.008      37.560   3.72 0.143 0.600 0.273 0.911     404.349     380.000       8.491   12 
-    420000       84000.00      37.132      13.366      50.499   7.93 0.071 0.000 0.182 2.321     336.884     380.000      11.705   12 
-    430000       86000.00      36.684       0.763      37.447   6.34 0.000 1.000 0.357 0.824     332.816     380.000       9.109   12 
-    440000       88000.00      40.859      -3.686      37.173   8.44 0.000 1.000 0.258 1.267     370.696     380.000      11.513   12 
-    450000       90000.00      39.412     -12.842      26.570   6.85 0.071 0.000 0.182 2.166     357.570     380.000       9.915   12 
-    460000       92000.00      40.918       0.639      41.557   6.44 0.143 0.000 0.136 2.049     371.226     380.000      10.491   12 
-    470000       94000.00      50.081      -4.658      45.423   4.50 0.071 0.750 0.261 2.485     454.360     380.000       8.784   12 
-    480000       96000.00      40.115       7.620      47.735   7.79 0.071 0.000 0.227 2.170     363.948     380.000      11.225   12 
-    490000       98000.00      32.792      -1.190      31.602   7.80 0.000 1.000 0.152 1.964     297.504     380.000      11.418   12 
-    500000      100000.00      34.745      10.616      45.361   9.15 0.000   NaN   NaN 4.071     315.222     380.000      13.168   12 
-    510000      102000.00      25.226      -2.765      22.461   5.17 0.143 0.500 0.159 3.500     228.862     370.000       9.943   12 
-    520000      104000.00      30.518      -1.226      29.293   5.51 0.071 0.500 0.182 1.306     276.877     370.000       7.839   12 
-    530000      106000.00      35.385      -6.553      28.832   5.91 0.071 0.750 0.307 0.899     321.034     370.000       9.475   12 
-    540000      108000.00      33.187      -3.400      29.787   7.08 0.071 0.667 0.212 1.147     301.089     370.000      11.348   12 
-    550000      110000.00      33.365      -3.622      29.743   7.91 0.071 0.500 0.136 1.617     302.705     370.000      11.308   12 
-    560000      112000.00      45.287      -5.324      39.962   8.04 0.000 1.000 0.197 3.110     410.863     370.000      11.343   12 
-    570000      114000.00      38.152      -3.278      34.874   5.49 0.214 0.571 0.305 3.224     346.139     370.000       8.527   12 
-    580000      116000.00      36.525      -5.205      31.320   5.54 0.071 0.500 0.182 0.824     331.373     370.000       7.605   12 
-    590000      118000.00      38.274      -3.085      35.189   7.53 0.000 1.000 0.220 1.474     347.238     370.000      10.049   12 
-    600000      120000.00      50.780       2.762      53.542   7.75 0.071 0.750 0.216 1.640     460.704     370.000      10.381   12 
-    610000      122000.00      44.136      -8.081      36.055   4.49 0.143 0.500 0.284 4.025     400.423     360.000       8.789   12 
-    620000      124000.00      29.695      -2.067      27.628   4.47 0.143 0.333 0.258 2.203     269.413     360.000       7.890   12 
-    630000      126000.00      31.716      -7.822      23.894   5.13 0.000 1.000 0.518 2.570     287.748     360.000       8.514   12 
-    640000      128000.00      29.587      -1.093      28.494   4.08 0.071 0.800 0.391 1.671     268.431     360.000       8.298   12 
-    650000      130000.00      29.321      -7.897      21.424   7.27 0.071 0.000 0.182 0.994     266.013     360.000      10.705   12 
-    660000      132000.00      41.846       5.509      47.354   5.70 0.214 0.500 0.311 3.796     379.646     360.000       8.527   12 
-    670000      134000.00      32.353      -6.711      25.642   9.45 0.071 0.500 0.182 1.208     293.526     360.000      12.808   12 
-    680000      136000.00      29.531      -4.945      24.587   7.60 0.000 1.000 0.227 1.546     267.924     360.000       9.809   12 
-    690000      138000.00      39.228      -4.649      34.579   5.90 0.000 1.000 0.205 1.972     355.894     360.000      10.638   12 
-    700000      140000.00      34.383      -6.795      27.588   5.87 0.143 0.667 0.273 0.956     311.939     360.000       8.759   12 
-    710000      142000.00      37.499      -5.468      32.031   8.19 0.143 0.500 0.170 1.592     340.211     350.000      12.024   12 
-    720000      144000.00      32.852     -19.057      13.795   6.05 0.071 0.667 0.182 1.158     298.051     350.000       9.212   12 
-    730000      146000.00      32.810       5.462      38.272   5.23 0.000 1.000 0.136 1.433     297.672     350.000       9.865   12 
-    740000      148000.00      36.464      -1.554      34.910   8.77 0.000 1.000 0.182 0.765     330.820     350.000      10.258   12 
-    750000      150000.00      38.782     -15.296      23.485   7.61 0.000 1.000 0.273 1.439     351.846     350.000      10.320   12 
-    760000      152000.00      32.021     -18.524      13.496   5.07 0.214 0.625 0.301 2.307     290.507     350.000       7.203   12 
-    770000      154000.00      35.079      -3.055      32.024   8.66 0.071 0.000 0.182 2.333     318.253     350.000      11.627   12 
-    780000      156000.00      29.718     -10.238      19.480   5.04 0.000 1.000 0.136 1.055     269.615     350.000       8.664   12 
-    790000      158000.00      30.835      -5.123      25.712   5.38 0.071 0.889 0.288 2.556     279.749     350.000       8.232   12 
-    800000      160000.00      30.528     -15.709      14.819   6.65 0.214 0.667 0.343 2.713     276.968     350.000       7.163   12 
-    810000      162000.00      29.026     -29.177      -0.151   5.38 0.286 0.636 0.298 1.909     263.339     340.000       7.217   12 
-    820000      164000.00      38.644     -19.913      18.731   4.43 0.143 0.500 0.239 2.171     350.596     340.000       7.301   12 
-    830000      166000.00      28.925     -14.147      14.778   5.29 0.071 0.800 0.164 1.861     262.423     340.000       9.851   12 
-    840000      168000.00      28.142     -19.743       8.398   8.49 0.214 0.571 0.175 2.676     255.315     340.000      11.820   12 
-    850000      170000.00      31.087       5.718      36.805   5.85 0.000 1.000 0.227 2.299     282.037     340.000       9.341   12 
-    860000      172000.00      25.716     -23.279       2.437   4.53 0.286 0.636 0.273 1.287     233.306     340.000       7.341   12 
-    870000      174000.00      40.339       3.887      44.225   8.25 0.143 0.333 0.152 1.426     365.973     340.000      10.986   12 
-    880000      176000.00      41.163     -20.328      20.835   6.11 0.071 0.857 0.312 2.045     373.449     340.000       6.798   12 
-    890000      178000.00      28.420     -28.548      -0.128   4.16 0.214 0.571 0.227 1.737     257.839     340.000       7.903   12 
-    900000      180000.00      37.983       1.432      39.415   4.45 0.143 0.667 0.273 2.967     344.605     340.000       8.138   12 
-    910000      182000.00      34.845     -14.826      20.020   4.52 0.071 0.857 0.409 1.943     316.133     330.000       6.906   12 
-    920000      184000.00      28.376     -19.603       8.773   3.95 0.214 0.700 0.245 1.158     257.442     330.000       7.441   12 
-    930000      186000.00      31.667      -6.232      25.435   4.99 0.071 0.750 0.239 2.293     287.295     330.000       9.241   12 
-    940000      188000.00      32.804     -12.987      19.817   6.36 0.143 0.500 0.182 1.094     297.615     330.000       8.828   12 
-    950000      190000.00      33.139     -20.144      12.994   5.20 0.000 1.000 0.355 1.065     300.652     330.000       7.663   12 
-    960000      192000.00      21.090     -29.944      -8.854   6.87 0.143 0.846 0.350 1.332     191.337     330.000       7.050   12 
-    970000      194000.00      36.175     -24.877      11.298   5.94 0.214 0.667 0.268 1.289     328.194     330.000       7.129   12 
-    980000      196000.00      31.151     -15.509      15.642   4.15 0.214 0.727 0.256 3.776     282.621     330.000       7.895   12 
-    990000      198000.00      34.662     -18.597      16.065   7.86 0.143 0.500 0.148 1.913     314.473     330.000      11.903   12 
-   1000000      200000.00      26.060     -15.507      10.554   5.70 0.000   NaN   NaN 0.824     236.434     330.000       8.821   12