Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MREMD / ff_1l2y / outputs / 1L2Y_MREMD_GB019.stat

diff --git a/examples/unres/MREMD/ff_1l2y/outputs/1L2Y_MREMD_GB019.stat b/examples/unres/MREMD/ff_1l2y/outputs/1L2Y_MREMD_GB019.stat
new file mode 100644 (file)
index 0000000..9d52375
--- /dev/null
+++ b/examples/unres/MREMD/ff_1l2y/outputs/1L2Y_MREMD_GB019.stat
@@ -0,0 +1,101 @@
+         0           0.00      41.827     113.732     155.558  12.87 0.000   NaN   NaN 4.850     379.473     340.000      15.552   19 
+     10000        2000.00      29.715      -4.816      24.899   4.93 0.143 0.800 0.414 0.174     269.593     340.000       7.592   19 
+     20000        4000.00      38.318      -4.711      33.607   4.93 0.143 0.818 0.322 0.328     347.643     340.000       7.230   19 
+     30000        6000.00      35.209      -9.233      25.976   4.82 0.214 0.727 0.479 0.942     319.436     340.000       7.384   19 
+     40000        8000.00      31.144      -4.481      26.663   4.16 0.214 0.625 0.170 0.418     282.556     340.000       8.643   19 
+     50000       10000.00      45.175      -5.665      39.510   5.14 0.000 1.000 0.227 0.588     409.855     340.000       9.137   19 
+     60000       12000.00      33.390      -5.505      27.884   6.88 0.000 1.000 0.292 0.239     302.928     340.000       8.399   19 
+     70000       14000.00      27.449       7.523      34.971   5.04 0.000 1.000 0.318 0.764     249.028     340.000       8.479   19 
+     80000       16000.00      31.840       6.232      38.072   5.17 0.071 0.833 0.356 0.549     288.868     340.000       7.624   19 
+     90000       18000.00      42.306     -12.003      30.303   3.65 0.214 0.750 0.295 0.883     383.818     340.000       6.991   19 
+    100000       20000.00      34.296      -0.454      33.842   5.17 0.214 0.625 0.188 0.365     311.155     340.000       8.507   19 
+    110000       22000.00      39.229      -4.932      34.298   3.76 0.143 0.500 0.148 0.546     355.908     340.000       7.860   19 
+    120000       24000.00      29.017       8.753      37.770   4.77 0.071 0.000 0.545 0.598     263.254     340.000       8.961   19 
+    130000       26000.00      34.345       1.640      35.985   6.60 0.071 0.750 0.261 0.576     311.599     340.000       8.513   19 
+    140000       28000.00      19.505      -0.579      18.925   7.12 0.000 1.000 0.236 0.322     176.955     340.000       9.079   19 
+    150000       30000.00      36.864       3.261      40.125   5.83 0.000 1.000 0.301 0.496     334.450     340.000       7.249   19 
+    160000       32000.00      32.171       1.034      33.206   6.40 0.071 0.800 0.318 0.402     291.876     340.000       9.431   19 
+    170000       34000.00      48.361       4.651      53.012   7.05 0.071 0.800 0.182 0.984     438.753     340.000      10.548   19 
+    180000       36000.00      46.172       1.731      47.903   8.20 0.143 0.750 0.170 0.769     418.897     340.000      10.481   19 
+    190000       38000.00      32.167       1.900      34.067   3.52 0.071 0.833 0.348 0.301     291.834     340.000       7.579   19 
+    200000       40000.00      39.279      11.977      51.256   5.17 0.071 0.875 0.256 0.662     356.361     340.000       7.571   19 
+    210000       42000.00      26.448      -3.614      22.834   6.84 0.214 0.571 0.195 0.656     239.948     330.000       8.643   19 
+    220000       44000.00      30.588     -24.604       5.983   4.97 0.357 0.615 0.290 0.609     277.507     330.000       7.134   19 
+    230000       46000.00      30.156     -18.849      11.307   6.54 0.143 0.875 0.401 0.689     273.593     330.000       6.893   19 
+    240000       48000.00      31.904      -7.780      24.124   3.30 0.286 0.600 0.236 0.329     289.448     330.000       7.274   19 
+    250000       50000.00      35.516      -4.763      30.753   5.20 0.071 0.750 0.193 1.318     322.219     330.000       9.716   19 
+    260000       52000.00      46.443      -2.573      43.870   4.47 0.071 0.833 0.205 1.699     421.356     330.000       7.649   19 
+    270000       54000.00      33.711      -4.075      29.636   7.28 0.143 0.600 0.191 0.344     305.842     330.000       9.406   19 
+    280000       56000.00      39.097      -5.555      33.542   8.08 0.071 0.800 0.209 1.103     354.710     330.000       9.749   19 
+    290000       58000.00      42.080      -1.090      40.990   8.04 0.071 0.750 0.148 0.653     381.771     330.000      10.237   19 
+    300000       60000.00      41.581       3.688      45.269   6.74 0.000 1.000 0.318 0.324     377.246     330.000       8.646   19 
+    310000       62000.00      49.318       1.807      51.126   4.18 0.143 0.600 0.245 0.287     447.442     380.000       7.971   19 
+    320000       64000.00      36.385       9.602      45.988   6.22 0.143 0.500 0.227 1.464     330.107     380.000       9.157   19 
+    330000       66000.00      32.022      12.205      44.227   6.03 0.000 1.000 0.400 0.501     290.519     380.000       8.357   19 
+    340000       68000.00      35.921       7.265      43.186   5.79 0.071 0.750 0.295 0.960     325.890     380.000       8.782   19 
+    350000       70000.00      38.104       9.891      47.994   5.77 0.071 0.750 0.261 0.260     345.695     380.000       9.244   19 
+    360000       72000.00      40.176      -1.134      39.042   4.22 0.214 0.625 0.528 0.633     364.495     380.000       7.323   19 
+    370000       74000.00      41.105       4.533      45.637   4.02 0.071 0.909 0.438 0.458     372.923     380.000       7.904   19 
+    380000       76000.00      46.473       7.252      53.725   7.14 0.071 0.500 0.205 0.992     421.626     380.000       9.903   19 
+    390000       78000.00      38.981      12.524      51.504   5.10 0.143 0.500 0.330 0.159     353.652     380.000       7.737   19 
+    400000       80000.00      34.281      -1.125      33.156   7.30 0.286 0.429 0.273 0.621     311.018     380.000       7.994   19 
+    410000       82000.00      42.059       3.417      45.476   7.76 0.000   NaN   NaN 0.853     381.577     370.000      11.531   19 
+    420000       84000.00      43.069       0.754      43.823   5.04 0.071 0.889 0.338 0.508     390.746     370.000       7.691   19 
+    430000       86000.00      35.060      14.018      49.078   5.90 0.071 0.800 0.464 1.093     318.081     370.000       7.632   19 
+    440000       88000.00      33.425       6.958      40.382   5.45 0.143 0.333 0.182 0.390     303.246     370.000       8.529   19 
+    450000       90000.00      38.405      14.716      53.122   7.01 0.071 0.750 0.159 0.500     348.434     370.000      10.608   19 
+    460000       92000.00      40.378      10.568      50.946   8.86 0.000 1.000 0.227 0.443     366.327     370.000      12.235   19 
+    470000       94000.00      35.802       7.816      43.618   6.49 0.071 0.917 0.383 0.199     324.815     370.000       8.732   19 
+    480000       96000.00      38.903      10.367      49.271  10.03 0.000 1.000 0.182 0.369     352.952     370.000      13.037   19 
+    490000       98000.00      36.086       6.467      42.553   6.15 0.143 0.714 0.286 1.055     327.391     370.000       8.942   19 
+    500000      100000.00      37.326      -0.094      37.232   5.70 0.071 0.500 0.614 0.297     338.641     370.000       7.678   19 
+    510000      102000.00      34.113      -0.016      34.097   5.01 0.071 0.667 0.288 0.674     309.490     360.000       8.191   19 
+    520000      104000.00      46.314       1.384      47.698   4.63 0.143 0.667 0.439 0.268     420.185     360.000       7.505   19 
+    530000      106000.00      39.842       3.567      43.409   4.65 0.143 0.000 0.364 0.515     361.468     360.000       7.993   19 
+    540000      108000.00      35.823       2.104      37.926   4.94 0.000 1.000 0.279 0.443     325.005     360.000       7.377   19 
+    550000      110000.00      34.761       9.332      44.093   6.32 0.000 1.000 0.182 0.300     315.374     360.000       8.223   19 
+    560000      112000.00      30.841      -8.644      22.196   4.80 0.214 0.571 0.396 0.964     279.802     360.000       7.633   19 
+    570000      114000.00      40.522       3.830      44.352   6.28 0.071 0.750 0.409 0.355     367.632     360.000       8.068   19 
+    580000      116000.00      38.012      -1.075      36.937   6.68 0.000 1.000 0.295 1.037     344.865     360.000       8.263   19 
+    590000      118000.00      42.552      -3.520      39.033   6.87 0.071 0.800 0.282 0.441     386.058     360.000       8.769   19 
+    600000      120000.00      36.756       6.614      43.369   4.75 0.000 1.000 0.235 0.884     333.465     360.000       7.211   19 
+    610000      122000.00      37.633      15.835      53.467   8.41 0.143 0.000 0.205 0.507     341.425     360.000      12.033   19 
+    620000      124000.00      39.447       5.701      45.147   4.58 0.286 0.429 0.409 0.528     357.880     360.000       8.822   19 
+    630000      126000.00      32.229      -0.578      31.651   6.57 0.000 1.000 0.273 0.448     292.399     360.000       9.798   19 
+    640000      128000.00      30.484      11.793      42.277   7.17 0.000 1.000 0.182 0.436     276.566     360.000       9.673   19 
+    650000      130000.00      28.929       7.658      36.587   6.54 0.071 0.857 0.351 0.530     262.462     360.000       9.381   19 
+    660000      132000.00      31.548      -5.280      26.268   6.33 0.071 0.833 0.288 0.535     286.219     360.000       7.837   19 
+    670000      134000.00      39.110       1.306      40.415   7.30 0.071 0.750 0.148 0.225     354.823     360.000      11.505   19 
+    680000      136000.00      32.905       4.174      37.079   6.20 0.000 1.000 0.409 0.830     298.530     360.000       8.662   19 
+    690000      138000.00      37.532      13.599      51.131   8.04 0.071 0.000 0.136 0.444     340.508     360.000      10.931   19 
+    700000      140000.00      36.863       1.748      38.611   6.95 0.000 1.000 0.159 0.292     334.445     360.000       9.563   19 
+    710000      142000.00      36.832       4.250      41.082   6.47 0.143 0.500 0.148 0.536     334.159     360.000       9.585   19 
+    720000      144000.00      39.051      -9.200      29.851   4.69 0.143 0.818 0.289 0.677     354.295     360.000       7.515   19 
+    730000      146000.00      32.154       4.335      36.490   5.27 0.071 0.857 0.240 0.262     291.720     360.000       8.647   19 
+    740000      148000.00      36.045       7.118      43.164   7.59 0.071 0.000 0.136 0.640     327.023     360.000      11.413   19 
+    750000      150000.00      36.641       5.437      42.078   7.73 0.071 0.875 0.284 0.213     332.429     360.000       8.360   19 
+    760000      152000.00      31.583      13.817      45.401   7.17 0.000 1.000 0.205 0.454     286.540     360.000      10.598   19 
+    770000      154000.00      44.672       0.669      45.341   5.39 0.286 0.636 0.360 0.637     405.288     360.000       7.620   19 
+    780000      156000.00      41.782       6.572      48.354  10.36 0.000   NaN   NaN 0.304     379.070     360.000      14.460   19 
+    790000      158000.00      37.391      10.162      47.553   7.52 0.071 0.500 0.273 0.642     339.226     360.000       8.757   19 
+    800000      160000.00      27.589       9.096      36.685   9.14 0.071 0.667 0.136 0.384     250.299     360.000      12.134   19 
+    810000      162000.00      31.944      -5.142      26.802   4.55 0.000 1.000 0.344 0.199     289.810     350.000       7.578   19 
+    820000      164000.00      37.736      10.690      48.426   7.18 0.143 0.714 0.182 0.598     342.360     350.000       9.941   19 
+    830000      166000.00      31.280      18.609      49.888   9.35 0.000   NaN   NaN 0.672     283.785     350.000      13.607   19 
+    840000      168000.00      34.065       4.688      38.753   5.60 0.071 0.875 0.307 0.458     309.057     350.000       8.175   19 
+    850000      170000.00      38.710       0.100      38.811   3.81 0.071 0.667 0.197 0.751     351.198     350.000       7.932   19 
+    860000      172000.00      31.318      -2.627      28.691   4.80 0.071 0.900 0.345 0.705     284.132     350.000       7.502   19 
+    870000      174000.00      39.904       5.955      45.859   5.04 0.143 0.750 0.330 0.550     362.026     350.000       7.847   19 
+    880000      176000.00      46.933      -7.945      38.988   3.35 0.357 0.615 0.283 0.783     425.799     350.000       7.015   19 
+    890000      178000.00      36.710      -9.290      27.420   6.22 0.071 0.875 0.278 0.569     333.055     350.000       8.501   19 
+    900000      180000.00      35.668       0.540      36.208   6.48 0.000 1.000 0.264 0.682     323.598     350.000       9.731   19 
+    910000      182000.00      28.552       8.110      36.662   6.77 0.000 1.000 0.152 0.706     259.036     340.000       9.557   19 
+    920000      184000.00      35.549       0.001      35.550   7.31 0.143 0.600 0.145 0.521     322.516     340.000       8.999   19 
+    930000      186000.00      34.926     -13.105      21.822   2.92 0.286 0.600 0.177 0.644     316.868     340.000       7.684   19 
+    940000      188000.00      34.816       7.906      42.722   5.11 0.071 0.875 0.523 0.213     315.869     340.000       6.865   19 
+    950000      190000.00      37.477     -13.612      23.866   4.87 0.214 0.625 0.318 0.369     340.014     340.000       7.465   19 
+    960000      192000.00      33.298      -0.458      32.840   7.44 0.143 0.500 0.205 0.591     302.094     340.000       8.947   19 
+    970000      194000.00      36.265       0.215      36.480   5.10 0.214 0.700 0.295 0.576     329.015     340.000       7.251   19 
+    980000      196000.00      34.403      -3.510      30.892   5.84 0.071 0.800 0.255 0.774     312.118     340.000       8.137   19 
+    990000      198000.00      36.564       3.686      40.250   4.02 0.000 1.000 0.352 0.604     331.724     340.000       8.287   19 
+   1000000      200000.00      35.291       5.896      41.188   8.22 0.143 0.714 0.234 0.958     320.182     340.000      10.725   19