Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MREMD / ff_gab / outputs / 1L2Y_MREMD_GB031.stat

diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB031.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB031.stat
new file mode 100644 (file)
index 0000000..a40bc9b
--- /dev/null
+++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB031.stat
@@ -0,0 +1,101 @@
+         0           0.00      34.575      24.561      59.136  12.87 0.000   NaN   NaN 0.715     313.682     400.000      15.552   31 
+     10000        2000.00      35.384       7.894      43.278   7.39 0.071 0.500 0.205 3.204     321.023     400.000      11.328   31 
+     20000        4000.00      43.009       3.505      46.514   9.56 0.143 0.333 0.182 1.141     390.199     400.000      11.752   31 
+     30000        6000.00      36.341       6.335      42.676   7.43 0.000   NaN   NaN 2.173     329.700     400.000      10.565   31 
+     40000        8000.00      48.669       7.128      55.797   7.16 0.071 0.000 0.136 1.764     441.555     400.000      10.038   31 
+     50000       10000.00      45.746       6.559      52.304   7.54 0.143 0.333 0.152 2.395     415.028     400.000      11.819   31 
+     60000       12000.00      46.439      16.214      62.653   8.49 0.000 1.000 0.227 1.405     421.319     400.000      10.125   31 
+     70000       14000.00      35.681       6.448      42.128   6.66 0.071 0.000 0.182 1.293     323.714     400.000       9.586   31 
+     80000       16000.00      41.888       2.153      44.042  11.57 0.000   NaN   NaN 3.128     380.033     400.000      14.445   31 
+     90000       18000.00      42.363       6.645      49.008   8.39 0.000   NaN   NaN 1.529     384.337     400.000      12.756   31 
+    100000       20000.00      41.653      15.185      56.838   5.29 0.000 1.000 0.227 1.224     377.901     400.000       9.738   31 
+    110000       22000.00      40.375       7.790      48.165   5.61 0.214 0.400 0.336 2.806     366.301     400.000       8.632   31 
+    120000       24000.00      44.606       6.872      51.478  10.95 0.071 0.667 0.152 1.629     404.690     400.000      13.602   31 
+    130000       26000.00      34.999      -0.790      34.209   6.73 0.071 0.500 0.227 1.929     317.532     400.000      11.545   31 
+    140000       28000.00      33.742       3.421      37.163   7.62 0.000 1.000 0.182 1.680     306.122     400.000      10.726   31 
+    150000       30000.00      35.232      -5.430      29.802   6.51 0.071 0.000 0.136 1.289     319.645     400.000      10.323   31 
+    160000       32000.00      43.511      -8.669      34.842   5.81 0.071 0.000 0.136 2.147     394.753     400.000      10.192   31 
+    170000       34000.00      54.105      22.672      76.777   4.92 0.071 0.500 0.136 1.417     490.865     400.000       9.656   31 
+    180000       36000.00      33.893      11.483      45.376   8.92 0.071 0.000 0.182 1.130     307.494     400.000      11.709   31 
+    190000       38000.00      39.822       1.286      41.108   7.15 0.000   NaN   NaN 1.706     361.284     400.000      10.813   31 
+    200000       40000.00      36.500       8.478      44.979   5.69 0.000 1.000 0.439 2.461     331.149     400.000       8.791   31 
+    210000       42000.00      40.243      -2.478      37.765   5.34 0.143 0.600 0.236 2.354     365.104     380.000       8.393   31 
+    220000       44000.00      37.222      11.540      48.761   5.24 0.000   NaN   NaN 1.771     337.695     380.000       9.130   31 
+    230000       46000.00      38.562      11.620      50.182   5.64 0.071 0.500 0.545 1.854     349.857     380.000       7.482   31 
+    240000       48000.00      31.671       1.191      32.862   3.82 0.071 0.667 0.258 2.419     287.331     380.000       8.316   31 
+    250000       50000.00      39.516      -9.516      30.000   5.92 0.143 0.000 0.136 1.165     358.507     380.000      10.654   31 
+    260000       52000.00      35.103       0.873      35.975   5.84 0.143 0.500 0.500 4.010     318.468     380.000       8.863   31 
+    270000       54000.00      38.366      -2.094      36.272   5.19 0.000 1.000 0.295 1.559     348.078     380.000       8.895   31 
+    280000       56000.00      43.690       4.216      47.906   9.64 0.143 0.000 0.136 4.044     396.378     380.000      12.719   31 
+    290000       58000.00      30.481       6.189      36.671   5.19 0.000   NaN   NaN 2.683     276.541     380.000       9.430   31 
+    300000       60000.00      41.225       4.379      45.604   6.66 0.000 1.000 0.250 1.593     374.011     380.000       9.662   31 
+    310000       62000.00      33.068       9.573      42.641   8.08 0.000 1.000 0.212 2.893     300.010     400.000      11.349   31 
+    320000       64000.00      34.863       4.378      39.241   9.25 0.071 0.000 0.136 1.829     316.294     400.000      13.509   31 
+    330000       66000.00      46.552      -9.151      37.400   6.01 0.071 0.667 0.500 1.530     422.340     400.000      10.239   31 
+    340000       68000.00      28.649      -2.344      26.305  11.03 0.071 0.000 0.136 1.135     259.923     400.000      15.490   31 
+    350000       70000.00      54.691       6.419      61.110  10.12 0.071 0.000 0.182 1.829     496.183     400.000      12.826   31 
+    360000       72000.00      36.576       3.845      40.421   8.73 0.071 0.500 0.136 3.303     331.836     400.000      12.230   31 
+    370000       74000.00      47.936       2.254      50.190  11.78 0.000 1.000 0.136 2.674     434.905     400.000      15.672   31 
+    380000       76000.00      34.236       6.791      41.027   8.32 0.071 0.500 0.205 1.649     310.609     400.000      11.847   31 
+    390000       78000.00      37.855      -4.381      33.474  10.58 0.071 0.000 0.136 3.305     343.445     400.000      14.242   31 
+    400000       80000.00      34.727       2.657      37.384   6.67 0.000 1.000 0.318 1.907     315.060     400.000      10.125   31 
+    410000       82000.00      44.804      13.793      58.598   5.42 0.000 1.000 0.295 2.654     406.488     380.000       8.928   31 
+    420000       84000.00      44.095      -5.022      39.073   3.90 0.143 0.714 0.331 2.593     400.053     380.000       7.965   31 
+    430000       86000.00      43.310      -1.489      41.820   4.34 0.071 0.000 0.136 2.736     392.928     380.000       8.771   31 
+    440000       88000.00      37.760       1.847      39.607   8.07 0.000   NaN   NaN 1.597     342.579     380.000      12.132   31 
+    450000       90000.00      39.320     -20.540      18.780   7.13 0.214 0.571 0.273 1.296     356.728     380.000       7.646   31 
+    460000       92000.00      33.439      -4.644      28.795   7.15 0.071 0.500 0.182 1.109     303.377     380.000      11.304   31 
+    470000       94000.00      37.403       0.787      38.190   7.38 0.000 1.000 0.227 3.055     339.340     380.000      11.345   31 
+    480000       96000.00      38.517       3.807      42.324   9.84 0.000 1.000 0.136 1.392     349.446     380.000      13.229   31 
+    490000       98000.00      35.307      -8.744      26.563   9.50 0.071 0.500 0.205 0.927     320.322     380.000      11.763   31 
+    500000      100000.00      36.890       6.406      43.296   8.72 0.071 0.667 0.182 3.446     334.685     380.000      12.215   31 
+    510000      102000.00      32.008       2.034      34.042   7.15 0.071 0.000 0.136 1.548     290.393     400.000      10.964   31 
+    520000      104000.00      26.792       4.578      31.370   9.69 0.000 1.000 0.409 1.542     243.068     400.000      12.136   31 
+    530000      106000.00      40.465       2.776      43.241   5.95 0.000 1.000 0.159 1.471     367.119     400.000       9.712   31 
+    540000      108000.00      41.089       5.530      46.619   7.69 0.071 0.750 0.239 1.094     372.778     400.000       8.705   31 
+    550000      110000.00      37.171       4.602      41.774   5.40 0.000 1.000 0.273 1.595     337.238     400.000       9.097   31 
+    560000      112000.00      38.848      24.705      63.553   9.06 0.071 0.000 0.136 3.873     352.445     400.000      11.815   31 
+    570000      114000.00      36.366      19.280      55.646   5.55 0.000   NaN   NaN 5.689     329.934     400.000       9.710   31 
+    580000      116000.00      34.780     -10.586      24.195   5.02 0.143 0.714 0.221 1.734     315.546     400.000       7.536   31 
+    590000      118000.00      42.220      -2.308      39.912  10.17 0.000   NaN   NaN 2.831     383.042     400.000      13.973   31 
+    600000      120000.00      42.099      -4.848      37.251   6.63 0.071 0.500 0.500 1.287     381.943     400.000       7.971   31 
+    610000      122000.00      38.597       2.028      40.625   8.73 0.000 1.000 0.273 1.401     350.175     390.000      11.068   31 
+    620000      124000.00      45.659       5.027      50.686  11.84 0.000   NaN   NaN 2.376     414.246     390.000      16.362   31 
+    630000      126000.00      37.655       7.589      45.244   6.53 0.214 0.400 0.155 3.114     341.627     390.000      10.070   31 
+    640000      128000.00      33.229       1.550      34.779   9.27 0.000   NaN   NaN 0.984     301.472     390.000      12.075   31 
+    650000      130000.00      36.699       0.670      37.369   5.91 0.000   NaN   NaN 2.239     332.953     390.000      10.271   31 
+    660000      132000.00      44.763      -8.981      35.782   9.13 0.000 1.000 0.273 0.956     406.113     390.000      11.977   31 
+    670000      134000.00      35.781      13.664      49.445  13.30 0.000   NaN   NaN 1.387     324.620     390.000      16.325   31 
+    680000      136000.00      40.040      -6.186      33.854   4.92 0.071 0.800 0.409 1.199     363.262     390.000       7.878   31 
+    690000      138000.00      36.112      -0.829      35.283   9.50 0.000   NaN   NaN 1.897     327.631     390.000      13.435   31 
+    700000      140000.00      36.175       9.160      45.335   8.66 0.000   NaN   NaN 2.407     328.197     390.000      12.548   31 
+    710000      142000.00      38.756       7.735      46.491   6.07 0.071 0.800 0.436 0.833     351.611     380.000       8.514   31 
+    720000      144000.00      48.056      -4.518      43.538   7.10 0.071 0.500 0.205 0.710     435.986     380.000      10.711   31 
+    730000      146000.00      40.379      -4.539      35.840   4.74 0.071 0.500 0.432 1.603     366.342     380.000       8.991   31 
+    740000      148000.00      24.146       3.678      27.824   5.76 0.000 1.000 0.409 1.822     219.061     380.000       9.253   31 
+    750000      150000.00      41.727       1.034      42.762   6.42 0.143 0.667 0.212 2.524     378.571     380.000       9.170   31 
+    760000      152000.00      39.015       2.610      41.625   7.72 0.000 1.000 0.273 1.678     353.961     380.000       8.514   31 
+    770000      154000.00      40.028       0.704      40.732   9.12 0.000   NaN   NaN 2.704     363.155     380.000      11.372   31 
+    780000      156000.00      36.656       0.119      36.775   5.83 0.000 1.000 0.636 1.581     332.559     380.000       9.546   31 
+    790000      158000.00      36.021       2.684      38.705   6.86 0.000 1.000 0.136 1.465     326.799     380.000      10.983   31 
+    800000      160000.00      30.756      -4.796      25.960  10.97 0.214 0.250 0.148 2.640     279.030     380.000      13.766   31 
+    810000      162000.00      42.369      -0.517      41.851   5.84 0.000 1.000 0.455 1.579     384.390     380.000       9.663   31 
+    820000      164000.00      36.616      -7.726      28.890   9.78 0.000   NaN   NaN 1.843     332.199     380.000      12.317   31 
+    830000      166000.00      48.481      -4.688      43.793   5.26 0.143 0.333 0.439 1.838     439.841     380.000       8.822   31 
+    840000      168000.00      38.699      -8.073      30.626   5.63 0.071 0.833 0.470 1.533     351.096     380.000       8.729   31 
+    850000      170000.00      37.774       2.187      39.962  11.27 0.000 1.000 0.273 2.297     342.708     380.000      13.975   31 
+    860000      172000.00      33.351       9.669      43.020  13.14 0.071 0.000 0.136 1.921     302.578     380.000      16.770   31 
+    870000      174000.00      36.948       9.968      46.916   5.78 0.214 0.571 0.214 2.177     335.211     380.000       9.994   31 
+    880000      176000.00      39.497      -2.913      36.583   9.16 0.071 0.000 0.182 1.646     358.333     380.000      12.081   31 
+    890000      178000.00      49.399      -8.768      40.631   7.49 0.143 0.500 0.159 1.784     448.172     380.000      10.633   31 
+    900000      180000.00      36.197       3.848      40.046   6.17 0.071 0.500 0.205 1.147     328.400     380.000       8.908   31 
+    910000      182000.00      45.793      -0.530      45.262  10.61 0.000   NaN   NaN 1.416     415.453     390.000      13.924   31 
+    920000      184000.00      42.719      -6.996      35.724   6.53 0.000   NaN   NaN 0.815     387.570     390.000       9.861   31 
+    930000      186000.00      42.112      -9.609      32.503   8.36 0.000 1.000 0.227 2.573     382.065     390.000      12.328   31 
+    940000      188000.00      43.655      -1.786      41.869   7.14 0.143 0.333 0.182 2.948     396.058     390.000      11.639   31 
+    950000      190000.00      32.901      -4.033      28.868   7.02 0.000   NaN   NaN 1.476     298.495     390.000       9.288   31 
+    960000      192000.00      43.284      -4.467      38.817   9.09 0.000 1.000 0.227 2.276     392.695     390.000      12.457   31 
+    970000      194000.00      35.983       7.953      43.935   9.39 0.000   NaN   NaN 3.114     326.453     390.000      13.851   31 
+    980000      196000.00      33.280      -3.025      30.255   8.92 0.000   NaN   NaN 1.024     301.932     390.000      13.254   31 
+    990000      198000.00      30.773       4.639      35.412   5.56 0.000 1.000 0.727 1.857     279.192     390.000       8.099   31 
+   1000000      200000.00      39.426      -1.955      37.471   6.92 0.000 1.000 0.136 2.441     357.691     390.000      11.735   31