Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MREMD / ff_gab / outputs / 1L2Y_MREMD_GB025.stat

diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB025.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB025.stat
new file mode 100644 (file)
index 0000000..a23ca39
--- /dev/null
+++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB025.stat
@@ -0,0 +1,101 @@
+         0           0.00      35.371      24.554      59.926  12.87 0.000   NaN   NaN 0.711     320.906     370.000      15.552   25 
+     10000        2000.00      33.799     -11.430      22.369   8.73 0.143 0.333 0.167 0.745     306.640     370.000      11.362   25 
+     20000        4000.00      47.269       3.660      50.929   8.78 0.000 1.000 0.136 1.510     428.848     370.000      12.528   25 
+     30000        6000.00      34.759      -4.248      30.511   6.78 0.143 0.500 0.239 0.965     315.350     370.000       8.441   25 
+     40000        8000.00      34.088      -5.456      28.633   5.43 0.000 1.000 0.489 2.518     309.267     370.000       9.855   25 
+     50000       10000.00      33.069       3.460      36.529   7.26 0.143 0.333 0.303 0.892     300.019     370.000       9.714   25 
+     60000       12000.00      29.692      -3.317      26.375   4.85 0.071 0.750 0.318 1.759     269.378     370.000       8.457   25 
+     70000       14000.00      29.495       6.848      36.343  11.38 0.000 1.000 0.136 1.732     267.591     370.000      14.550   25 
+     80000       16000.00      38.104      -7.752      30.352   5.51 0.000 1.000 0.136 0.912     345.702     370.000       9.683   25 
+     90000       18000.00      35.047     -16.985      18.062   7.67 0.071 0.750 0.273 1.048     317.968     370.000       8.431   25 
+    100000       20000.00      46.059       0.282      46.341  10.12 0.071 0.667 0.227 2.009     417.869     370.000      12.780   25 
+    110000       22000.00      36.741      -8.208      28.532   5.76 0.143 0.667 0.182 1.089     333.332     360.000       9.093   25 
+    120000       24000.00      32.609      -2.275      30.334   6.45 0.000 1.000 0.273 2.366     295.843     360.000      10.263   25 
+    130000       26000.00      33.320     -21.441      11.879   5.81 0.000 1.000 0.333 0.828     302.292     360.000       8.872   25 
+    140000       28000.00      42.357      -1.092      41.265   7.84 0.071 0.500 0.205 1.258     384.286     360.000      11.389   25 
+    150000       30000.00      30.343      -6.584      23.759   7.41 0.071 0.833 0.258 1.952     275.285     360.000       8.368   25 
+    160000       32000.00      37.230       9.072      46.301   7.37 0.000   NaN   NaN 1.482     337.767     360.000       9.686   25 
+    170000       34000.00      33.527      -0.788      32.739   7.80 0.071 0.500 0.159 1.508     304.176     360.000      11.950   25 
+    180000       36000.00      41.110       0.352      41.462   8.66 0.071 0.000 0.182 1.089     372.971     360.000      10.699   25 
+    190000       38000.00      42.078       6.603      48.680   8.00 0.000 1.000 0.364 2.854     381.752     360.000      11.834   25 
+    200000       40000.00      49.736       2.526      52.262   9.56 0.000 1.000 0.273 2.725     451.235     360.000      13.230   25 
+    210000       42000.00      37.955       0.096      38.051   5.56 0.000   NaN   NaN 2.819     344.345     360.000       9.642   25 
+    220000       44000.00      34.143       8.531      42.674   5.45 0.000 1.000 0.227 2.124     309.767     360.000       9.813   25 
+    230000       46000.00      39.094      -4.238      34.856   7.04 0.143 0.600 0.327 1.620     354.677     360.000       7.703   25 
+    240000       48000.00      28.334     -13.669      14.665  13.81 0.000   NaN   NaN 2.145     257.058     360.000      17.407   25 
+    250000       50000.00      41.054       1.087      42.142   6.05 0.071 0.750 0.205 4.625     372.468     360.000       9.681   25 
+    260000       52000.00      31.866      -3.070      28.796  10.13 0.071 0.000 0.136 1.673     289.106     360.000      12.261   25 
+    270000       54000.00      26.500      -7.267      19.233   5.61 0.071 0.667 0.227 0.897     240.421     360.000       9.160   25 
+    280000       56000.00      36.331      -3.767      32.564   5.62 0.000 1.000 0.352 1.446     329.612     360.000      10.028   25 
+    290000       58000.00      33.343      -1.672      31.671  12.75 0.000   NaN   NaN 1.380     302.504     360.000      16.617   25 
+    300000       60000.00      38.281       4.139      42.420   6.76 0.000 1.000 0.250 1.506     347.306     360.000      10.036   25 
+    310000       62000.00      37.180      -8.554      28.626   6.46 0.000 1.000 0.386 2.638     337.319     360.000       8.858   25 
+    320000       64000.00      54.553      -3.614      50.940   5.63 0.000 1.000 0.182 3.273     494.937     360.000       9.389   25 
+    330000       66000.00      37.812      -4.385      33.427   5.57 0.000 1.000 0.455 2.814     343.053     360.000       9.561   25 
+    340000       68000.00      29.087     -11.587      17.500   7.22 0.143 0.333 0.212 1.402     263.895     360.000      10.782   25 
+    350000       70000.00      35.763       1.594      37.357   7.14 0.000 1.000 0.182 2.485     324.462     360.000      11.399   25 
+    360000       72000.00      30.759     -15.480      15.279   5.13 0.071 0.833 0.508 1.498     279.064     360.000       8.271   25 
+    370000       74000.00      40.110      -6.929      33.181   5.45 0.071 0.000 0.182 0.934     363.902     360.000       9.859   25 
+    380000       76000.00      37.132     -18.018      19.114   6.67 0.000 1.000 0.273 0.733     336.880     360.000      10.273   25 
+    390000       78000.00      36.976     -14.032      22.944   4.83 0.214 0.500 0.303 2.189     335.465     360.000       8.893   25 
+    400000       80000.00      34.825     -11.987      22.838   6.21 0.286 0.333 0.182 2.377     315.950     360.000       9.474   25 
+    410000       82000.00      35.442     -11.125      24.317   6.04 0.071 0.500 0.227 3.223     321.550     350.000       8.814   25 
+    420000       84000.00      32.668      -4.052      28.616   6.79 0.214 0.800 0.439 1.481     296.385     350.000       7.052   25 
+    430000       86000.00      33.573      -4.735      28.838   6.97 0.071 0.000 0.136 0.888     304.592     350.000       9.671   25 
+    440000       88000.00      31.425     -15.869      15.556   5.30 0.286 0.636 0.293 1.720     285.105     350.000       7.723   25 
+    450000       90000.00      46.246      -3.458      42.789   3.96 0.071 0.750 0.295 1.561     419.571     350.000       7.714   25 
+    460000       92000.00      35.599     -16.023      19.577   6.91 0.071 0.750 0.409 1.706     322.976     350.000       8.036   25 
+    470000       94000.00      25.942      -7.500      18.442   9.02 0.000 1.000 0.182 1.798     235.361     350.000      12.552   25 
+    480000       96000.00      34.107      -6.124      27.983   9.49 0.143 0.500 0.136 2.559     309.440     350.000      12.016   25 
+    490000       98000.00      42.700      -0.822      41.879   4.63 0.143 0.667 0.273 2.341     387.399     350.000       8.573   25 
+    500000      100000.00      27.864      -1.576      26.287   9.22 0.071 0.500 0.227 1.541     252.794     350.000      11.812   25 
+    510000      102000.00      30.806      -5.815      24.991  12.11 0.071 0.500 0.182 1.641     279.485     340.000      15.123   25 
+    520000      104000.00      35.010      -5.880      29.129   8.15 0.071 0.500 0.182 1.463     317.626     340.000      10.285   25 
+    530000      106000.00      34.054     -14.829      19.225   4.33 0.143 0.750 0.472 2.192     308.952     340.000       7.397   25 
+    540000      108000.00      32.667     -10.915      21.752   3.97 0.214 0.400 0.436 3.373     296.371     340.000       7.660   25 
+    550000      110000.00      29.630      -7.417      22.213   4.60 0.071 0.857 0.214 1.657     268.820     340.000       7.241   25 
+    560000      112000.00      28.461     -14.168      14.293   6.11 0.214 0.750 0.470 1.380     258.210     340.000       7.170   25 
+    570000      114000.00      35.689     -14.070      21.619   8.66 0.000   NaN   NaN 0.813     323.785     340.000      13.124   25 
+    580000      116000.00      34.394     -12.027      22.367   7.81 0.143 0.600 0.209 2.121     312.039     340.000       9.726   25 
+    590000      118000.00      30.498      -5.060      25.438   5.60 0.143 0.500 0.364 1.396     276.696     340.000       8.686   25 
+    600000      120000.00      29.026     -22.502       6.524   3.87 0.143 0.600 0.173 1.542     263.340     340.000       8.727   25 
+    610000      122000.00      26.139     -30.315      -4.176   4.73 0.143 0.500 0.341 1.721     237.145     340.000       7.860   25 
+    620000      124000.00      39.304     -12.784      26.521   9.46 0.214 0.250 0.170 1.405     356.590     340.000      11.940   25 
+    630000      126000.00      36.963      -0.268      36.696   4.92 0.000 1.000 0.409 3.218     335.351     340.000       8.656   25 
+    640000      128000.00      38.655       4.433      43.088   7.45 0.000 1.000 0.303 2.737     350.697     340.000       9.737   25 
+    650000      130000.00      28.307     -12.312      15.995   5.91 0.143 0.714 0.370 1.151     256.818     340.000       7.744   25 
+    660000      132000.00      34.010      -4.741      29.269   6.54 0.000 1.000 0.136 1.776     308.556     340.000      10.916   25 
+    670000      134000.00      31.661      -7.344      24.317   5.69 0.000 1.000 0.485 1.234     287.248     340.000       7.857   25 
+    680000      136000.00      34.686     -16.611      18.074   5.45 0.071 0.500 0.205 0.565     314.689     340.000      10.439   25 
+    690000      138000.00      34.693     -10.979      23.713   7.10 0.143 0.714 0.195 0.814     314.748     340.000       9.496   25 
+    700000      140000.00      26.302       3.752      30.054   6.57 0.000 1.000 0.227 2.466     238.623     340.000      10.919   25 
+    710000      142000.00      37.294     -15.043      22.251   5.85 0.214 0.667 0.525 2.045     338.347     400.000       7.382   25 
+    720000      144000.00      33.630      12.938      46.568   5.65 0.000   NaN   NaN 2.382     305.108     400.000       9.165   25 
+    730000      146000.00      39.222       0.086      39.309   8.11 0.071 0.000 0.136 3.806     355.844     400.000      12.127   25 
+    740000      148000.00      34.774      13.233      48.007   8.56 0.000 1.000 0.136 1.699     315.486     400.000      11.177   25 
+    750000      150000.00      34.836       9.195      44.031   6.49 0.000   NaN   NaN 2.821     316.052     400.000      11.485   25 
+    760000      152000.00      29.586       6.085      35.671   9.71 0.000   NaN   NaN 2.299     268.416     400.000      13.734   25 
+    770000      154000.00      37.507      -2.641      34.866   8.29 0.000   NaN   NaN 2.894     340.286     400.000      11.487   25 
+    780000      156000.00      33.349      -4.857      28.492   5.36 0.000 1.000 0.591 0.953     302.557     400.000       8.765   25 
+    790000      158000.00      36.647       9.686      46.333   5.60 0.071 0.000 0.136 3.328     332.477     400.000      10.585   25 
+    800000      160000.00      37.949      -2.551      35.398   7.49 0.000   NaN   NaN 1.546     344.290     400.000      11.889   25 
+    810000      162000.00      34.350      -5.639      28.711   8.49 0.000 1.000 0.205 3.768     311.642     380.000      11.212   25 
+    820000      164000.00      24.089      -8.888      15.201   8.08 0.000 1.000 0.341 0.993     218.544     380.000       9.255   25 
+    830000      166000.00      31.072     -16.393      14.678   5.92 0.071 0.800 0.427 1.704     281.897     380.000       8.342   25 
+    840000      168000.00      49.427       3.430      52.857   7.65 0.071 0.000 0.136 2.128     448.429     380.000      11.780   25 
+    850000      170000.00      33.764      -1.292      32.472   5.70 0.000 1.000 0.482 1.355     306.322     380.000       9.667   25 
+    860000      172000.00      42.433      15.439      57.872   7.27 0.000 1.000 0.136 2.510     384.976     380.000      11.382   25 
+    870000      174000.00      28.321       2.450      30.772   6.62 0.071 0.000 0.136 2.159     256.944     380.000      10.724   25 
+    880000      176000.00      32.025       6.670      38.695   6.89 0.000   NaN   NaN 1.426     290.549     380.000      10.314   25 
+    890000      178000.00      42.226       0.015      42.241   6.98 0.000   NaN   NaN 1.718     383.099     380.000      11.994   25 
+    900000      180000.00      36.348      -2.966      33.382  10.17 0.143 0.000 0.159 3.100     329.770     380.000      13.130   25 
+    910000      182000.00      30.341      11.302      41.643   8.03 0.000   NaN   NaN 2.689     275.273     370.000      11.816   25 
+    920000      184000.00      37.064       4.806      41.870  10.48 0.000   NaN   NaN 3.448     336.260     370.000      14.598   25 
+    930000      186000.00      34.357       5.727      40.083   9.15 0.000   NaN   NaN 1.875     311.703     370.000      13.485   25 
+    940000      188000.00      36.780      -7.832      28.948  10.90 0.143 0.000 0.159 2.159     333.685     370.000      14.302   25 
+    950000      190000.00      30.280     -19.398      10.882   5.87 0.143 0.750 0.420 1.927     274.720     370.000       6.800   25 
+    960000      192000.00      30.276     -10.781      19.495   6.45 0.071 0.800 0.264 0.874     274.681     370.000       8.296   25 
+    970000      194000.00      35.889      -9.885      26.004   4.97 0.214 0.500 0.379 2.841     325.606     370.000       8.202   25 
+    980000      196000.00      41.136      -1.133      40.003   4.01 0.143 0.500 0.352 1.213     373.211     370.000       7.757   25 
+    990000      198000.00      33.380      -4.710      28.670   6.76 0.000 1.000 0.311 2.044     302.841     370.000       8.776   25 
+   1000000      200000.00      39.236       1.015      40.251   6.16 0.071 0.750 0.239 1.187     355.974     370.000       8.723   25