Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MREMD / ff_gab / outputs / 1L2Y_MREMD_GB021.stat

diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB021.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB021.stat
new file mode 100644 (file)
index 0000000..cddc347
--- /dev/null
+++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB021.stat
@@ -0,0 +1,101 @@
+         0           0.00      37.270      24.593      61.862  12.87 0.000   NaN   NaN 0.708     338.128     350.000      15.552   21 
+     10000        2000.00      37.135       5.306      42.441   4.99 0.143 0.600 0.191 2.104     336.908     350.000       8.270   21 
+     20000        4000.00      30.314     -11.935      18.379   4.57 0.000 1.000 0.398 1.096     275.021     350.000       7.556   21 
+     30000        6000.00      28.788       6.080      34.867  11.56 0.000   NaN   NaN 1.510     261.177     350.000      15.965   21 
+     40000        8000.00      25.721      -5.934      19.787   5.39 0.000 1.000 0.420 1.552     233.355     350.000       9.440   21 
+     50000       10000.00      34.249      -7.054      27.195   7.61 0.000 1.000 0.318 2.164     310.722     350.000       9.861   21 
+     60000       12000.00      34.285     -12.195      22.090   6.58 0.071 0.750 0.375 1.966     311.051     350.000       8.056   21 
+     70000       14000.00      35.042      -2.624      32.418  10.67 0.143 0.333 0.167 2.913     317.921     350.000      13.966   21 
+     80000       16000.00      30.002      -8.624      21.378   6.91 0.071 0.750 0.420 1.530     272.191     350.000       7.766   21 
+     90000       18000.00      41.072       3.506      44.578   8.42 0.071 0.667 0.136 1.957     372.626     350.000      12.442   21 
+    100000       20000.00      29.626       2.299      31.925   6.49 0.071 0.000 0.182 1.647     268.778     350.000      10.238   21 
+    110000       22000.00      41.840       4.314      46.154  11.77 0.000   NaN   NaN 2.198     379.594     400.000      14.665   21 
+    120000       24000.00      43.019      -8.186      34.833   5.64 0.000 1.000 0.273 2.087     390.290     400.000       9.497   21 
+    130000       26000.00      35.692       9.238      44.930   7.15 0.000   NaN   NaN 3.318     323.816     400.000      11.516   21 
+    140000       28000.00      51.419      -0.839      50.580  10.55 0.000 1.000 0.273 2.501     466.501     400.000      13.303   21 
+    150000       30000.00      47.240       0.267      47.507   8.17 0.071 0.500 0.182 1.129     428.590     400.000      12.706   21 
+    160000       32000.00      50.668      11.911      62.578   8.05 0.000 1.000 0.182 1.749     459.684     400.000      10.787   21 
+    170000       34000.00      42.682       3.918      46.600   7.40 0.000 1.000 0.167 1.919     387.233     400.000      10.776   21 
+    180000       36000.00      39.966      -0.989      38.977   8.18 0.000 1.000 0.136 1.818     362.594     400.000      10.900   21 
+    190000       38000.00      35.831       0.363      36.195   7.21 0.286 0.200 0.200 1.395     325.079     400.000       8.711   21 
+    200000       40000.00      30.664      -9.145      21.518   4.53 0.143 0.500 0.534 3.825     278.198     400.000       9.156   21 
+    210000       42000.00      36.428       1.047      37.475   7.86 0.071 0.667 0.227 1.948     330.494     400.000       9.554   21 
+    220000       44000.00      34.392      -0.689      33.703   6.64 0.143 0.000 0.136 2.316     312.020     400.000       8.814   21 
+    230000       46000.00      38.096       3.961      42.057  10.77 0.071 0.000 0.136 2.376     345.628     400.000      14.614   21 
+    240000       48000.00      51.952      -3.137      48.814   8.39 0.071 0.000 0.136 1.848     471.333     400.000      12.996   21 
+    250000       50000.00      48.517       9.866      58.383  11.96 0.000   NaN   NaN 1.756     440.169     400.000      15.834   21 
+    260000       52000.00      43.569       2.742      46.312   5.03 0.000 1.000 0.527 1.841     395.283     400.000       7.756   21 
+    270000       54000.00      39.015       9.436      48.451   6.36 0.000   NaN   NaN 2.750     353.965     400.000      10.410   21 
+    280000       56000.00      42.232      -2.646      39.585   4.75 0.071 0.500 0.455 2.211     383.146     400.000       9.257   21 
+    290000       58000.00      37.287      -1.427      35.860   6.67 0.071 0.750 0.205 0.960     338.290     400.000       8.877   21 
+    300000       60000.00      34.141       5.361      39.502  10.28 0.000   NaN   NaN 2.798     309.745     400.000      14.774   21 
+    310000       62000.00      40.295      -2.148      38.147   6.10 0.071 0.800 0.318 1.507     365.578     400.000       8.138   21 
+    320000       64000.00      44.840      -0.180      44.660   4.54 0.357 0.375 0.318 1.317     406.812     400.000       8.704   21 
+    330000       66000.00      44.895      15.261      60.156  11.35 0.000   NaN   NaN 2.157     407.307     400.000      14.882   21 
+    340000       68000.00      40.986      -0.177      40.808   8.13 0.071 0.500 0.182 0.965     371.844     400.000      11.348   21 
+    350000       70000.00      37.636      15.762      53.397   8.40 0.143 0.600 0.182 1.353     341.449     400.000      11.081   21 
+    360000       72000.00      34.133       1.627      35.761   6.67 0.000   NaN   NaN 2.467     309.675     400.000      10.289   21 
+    370000       74000.00      38.340       8.489      46.829   6.78 0.000 1.000 0.182 1.823     347.837     400.000      10.632   21 
+    380000       76000.00      42.030       4.778      46.809   7.76 0.000 1.000 0.227 3.024     381.322     400.000      11.856   21 
+    390000       78000.00      35.256       2.882      38.138   4.64 0.071 0.667 0.212 1.242     319.863     400.000       9.325   21 
+    400000       80000.00      42.162       6.501      48.662   5.36 0.000 1.000 0.182 2.696     382.512     400.000       9.229   21 
+    410000       82000.00      39.406      -7.785      31.621   8.62 0.071 0.667 0.197 1.865     357.510     400.000      11.586   21 
+    420000       84000.00      45.772       3.348      49.120   5.26 0.071 0.500 0.159 1.837     415.266     400.000       8.996   21 
+    430000       86000.00      34.748      -2.024      32.724   5.38 0.000 1.000 0.523 0.890     315.256     400.000       8.998   21 
+    440000       88000.00      38.915      10.247      49.162   8.84 0.071 0.500 0.205 2.329     353.061     400.000      11.069   21 
+    450000       90000.00      43.195      -2.831      40.364   6.42 0.000   NaN   NaN 1.329     391.886     400.000      10.836   21 
+    460000       92000.00      40.065      -1.763      38.302   6.03 0.000 1.000 0.591 3.378     363.492     400.000       9.163   21 
+    470000       94000.00      35.281      10.050      45.331   6.68 0.000   NaN   NaN 2.707     320.087     400.000      10.511   21 
+    480000       96000.00      39.818       0.090      39.908   7.86 0.000 1.000 0.205 1.030     361.249     400.000      10.167   21 
+    490000       98000.00      30.031     -15.288      14.743   7.21 0.000 1.000 0.264 2.487     272.454     400.000       9.006   21 
+    500000      100000.00      31.978       5.065      37.044   6.33 0.071 0.750 0.261 2.558     290.125     400.000       9.191   21 
+    510000      102000.00      41.191       0.591      41.782   5.64 0.000 1.000 0.523 2.170     373.706     390.000       8.955   21 
+    520000      104000.00      42.624      11.945      54.570   5.37 0.000 1.000 0.409 1.780     386.710     390.000       9.321   21 
+    530000      106000.00      34.607       4.345      38.952   5.44 0.000 1.000 0.394 0.787     313.973     390.000       8.401   21 
+    540000      108000.00      37.639       7.473      45.111   8.19 0.000   NaN   NaN 1.780     341.477     390.000      11.912   21 
+    550000      110000.00      37.946      -3.022      34.924  10.76 0.071 0.000 0.136 2.757     344.269     390.000      13.308   21 
+    560000      112000.00      42.198      -4.135      38.062   6.46 0.143 0.667 0.424 0.908     382.838     390.000       7.874   21 
+    570000      114000.00      36.147      -5.961      30.185   5.44 0.000 1.000 0.500 0.903     327.941     390.000       8.416   21 
+    580000      116000.00      35.053      -2.862      32.191   7.51 0.071 0.500 0.159 2.047     318.022     390.000      11.399   21 
+    590000      118000.00      46.002       7.968      53.971   6.00 0.071 0.667 0.409 2.629     417.357     390.000       8.275   21 
+    600000      120000.00      30.337     -10.349      19.989   4.63 0.143 0.500 0.182 1.589     275.237     390.000       8.027   21 
+    610000      122000.00      44.636       1.574      46.210  12.48 0.000   NaN   NaN 0.716     404.959     380.000      16.227   21 
+    620000      124000.00      41.458      -6.193      35.266   7.40 0.000   NaN   NaN 2.171     376.132     380.000      10.782   21 
+    630000      126000.00      31.163      -7.496      23.667   6.08 0.143 0.333 0.258 1.524     282.726     380.000       7.849   21 
+    640000      128000.00      41.830      -8.411      33.419   9.75 0.000   NaN   NaN 2.335     379.508     380.000      12.904   21 
+    650000      130000.00      43.996       6.469      50.465  10.75 0.000 1.000 0.136 3.775     399.151     380.000      14.359   21 
+    660000      132000.00      36.618      10.904      47.522   5.29 0.000   NaN   NaN 2.304     332.220     380.000       8.596   21 
+    670000      134000.00      43.968      -1.100      42.867   7.16 0.000 1.000 0.295 1.350     398.896     380.000      10.566   21 
+    680000      136000.00      37.878      -2.903      34.976   5.13 0.000 1.000 0.409 1.262     343.653     380.000       7.897   21 
+    690000      138000.00      33.706      -8.165      25.540   6.08 0.071 0.500 0.205 1.951     305.797     380.000       8.732   21 
+    700000      140000.00      44.617       3.410      48.026   6.11 0.071 0.667 0.288 2.769     404.786     380.000       9.708   21 
+    710000      142000.00      42.066       8.699      50.766   7.06 0.000 1.000 0.227 2.099     381.648     360.000       9.349   21 
+    720000      144000.00      36.528      -4.138      32.390   8.04 0.000 1.000 0.273 2.591     331.401     360.000      12.372   21 
+    730000      146000.00      37.656      -3.771      33.885   5.45 0.071 0.667 0.212 0.776     341.632     360.000       9.063   21 
+    740000      148000.00      31.862       2.091      33.953   5.62 0.000 1.000 0.250 2.792     289.068     360.000       8.818   21 
+    750000      150000.00      30.089      14.974      45.063  12.24 0.000   NaN   NaN 4.159     272.987     360.000      15.765   21 
+    760000      152000.00      38.964      -8.337      30.627   5.49 0.071 0.833 0.303 2.873     353.504     360.000       7.854   21 
+    770000      154000.00      35.886      -4.613      31.272   8.02 0.214 0.571 0.201 0.876     325.575     360.000      10.302   21 
+    780000      156000.00      32.962       3.103      36.065   5.46 0.143 0.500 0.193 0.992     299.049     360.000       9.642   21 
+    790000      158000.00      36.295      -5.398      30.897   5.78 0.000 1.000 0.182 1.125     329.288     360.000       9.580   21 
+    800000      160000.00      36.032       8.222      44.254   5.52 0.000   NaN   NaN 1.623     326.901     360.000       9.164   21 
+    810000      162000.00      38.766      -2.232      36.534   8.79 0.143 0.333 0.197 0.783     351.709     400.000      11.572   21 
+    820000      164000.00      40.350       7.051      47.401   9.06 0.000 1.000 0.136 2.917     366.078     400.000      13.390   21 
+    830000      166000.00      48.175       9.832      58.007   4.16 0.143 0.333 0.212 1.567     437.072     400.000       8.745   21 
+    840000      168000.00      37.205       1.349      38.554   5.51 0.000 1.000 0.255 1.932     337.539     400.000       9.374   21 
+    850000      170000.00      39.364       7.610      46.974   7.53 0.000 1.000 0.455 1.523     357.129     400.000       9.468   21 
+    860000      172000.00      38.298       7.510      45.808   6.21 0.000 1.000 0.364 2.324     347.459     400.000      10.853   21 
+    870000      174000.00      34.414       3.987      38.401   6.89 0.071 0.000 0.136 1.701     312.218     400.000      10.388   21 
+    880000      176000.00      49.600      -5.837      43.763   6.63 0.000 1.000 0.409 1.607     449.997     400.000      11.054   21 
+    890000      178000.00      35.551       2.851      38.403  10.00 0.000   NaN   NaN 2.165     322.540     400.000      14.366   21 
+    900000      180000.00      34.396      10.950      45.347   9.91 0.000   NaN   NaN 1.906     312.061     400.000      13.204   21 
+    910000      182000.00      48.402      -1.694      46.708  10.55 0.071 0.500 0.182 2.553     439.129     400.000      13.227   21 
+    920000      184000.00      41.533       7.891      49.425  11.80 0.000 1.000 0.182 1.463     376.810     400.000      14.941   21 
+    930000      186000.00      40.224       9.812      50.036  10.98 0.000   NaN   NaN 1.112     364.930     400.000      14.522   21 
+    940000      188000.00      35.667       5.638      41.305   4.89 0.000 1.000 0.818 1.935     323.594     400.000       8.106   21 
+    950000      190000.00      40.197       3.100      43.297  10.63 0.000   NaN   NaN 2.147     364.692     400.000      13.499   21 
+    960000      192000.00      46.433      -0.127      46.306   5.18 0.000 1.000 0.568 2.095     421.267     400.000       9.123   21 
+    970000      194000.00      47.277       8.325      55.602   7.19 0.143 0.600 0.245 3.553     428.918     400.000      10.334   21 
+    980000      196000.00      37.907       6.028      43.934   5.84 0.143 0.667 0.258 1.815     343.908     400.000       8.392   21 
+    990000      198000.00      43.313       6.034      49.347  11.00 0.000   NaN   NaN 1.286     392.959     400.000      14.389   21 
+   1000000      200000.00      38.781       6.691      45.472   7.35 0.071 0.000 0.136 2.983     351.840     400.000      12.072   21