Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MREMD / ff_gab / outputs / 1L2Y_MREMD_GB026.stat

diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB026.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB026.stat
new file mode 100644 (file)
index 0000000..42e6b32
--- /dev/null
+++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB026.stat
@@ -0,0 +1,101 @@
+         0           0.00      33.146      24.549      57.695  12.87 0.000   NaN   NaN 0.712     300.719     380.000      15.552   26 
+     10000        2000.00      42.682      -2.990      39.693   4.90 0.214 0.400 0.227 2.453     387.235     380.000       8.310   26 
+     20000        4000.00      41.217      -7.306      33.910   7.28 0.000 1.000 0.227 1.770     373.937     380.000       9.144   26 
+     30000        6000.00      29.264      -0.504      28.759   6.14 0.000 1.000 0.136 1.767     265.494     380.000       8.954   26 
+     40000        8000.00      39.357      -8.403      30.955   4.23 0.071 0.667 0.152 1.611     357.070     380.000       8.450   26 
+     50000       10000.00      37.054       2.499      39.553   9.96 0.071 0.000 0.136 2.272     336.175     380.000      12.676   26 
+     60000       12000.00      38.820      -1.074      37.746   7.00 0.000 1.000 0.182 1.008     352.192     380.000       9.835   26 
+     70000       14000.00      40.513      -1.766      38.747   8.53 0.000 1.000 0.242 2.629     367.550     380.000      10.486   26 
+     80000       16000.00      45.467      -2.883      42.584   6.59 0.071 0.000 0.136 0.950     412.498     380.000       9.473   26 
+     90000       18000.00      34.292      -6.907      27.385   5.27 0.214 0.625 0.244 2.292     311.113     380.000       8.936   26 
+    100000       20000.00      35.102      -1.133      33.969   4.85 0.143 0.333 0.152 3.151     318.462     380.000       8.666   26 
+    110000       22000.00      32.678     -11.519      21.159   4.48 0.143 0.750 0.449 1.463     296.469     360.000       7.489   26 
+    120000       24000.00      32.844       2.479      35.323   8.81 0.000   NaN   NaN 1.269     297.977     360.000      11.884   26 
+    130000       26000.00      42.180      -1.556      40.624  12.59 0.000   NaN   NaN 1.301     382.677     360.000      16.029   26 
+    140000       28000.00      37.691       1.708      39.398   6.62 0.071 0.500 0.409 2.568     341.948     360.000       9.412   26 
+    150000       30000.00      45.193      -1.026      44.166  10.23 0.071 0.500 0.159 1.934     410.011     360.000      12.751   26 
+    160000       32000.00      40.741       5.786      46.527   6.61 0.000   NaN   NaN 1.560     369.621     360.000       9.731   26 
+    170000       34000.00      43.529       4.518      48.047   6.33 0.000 1.000 0.182 1.312     394.920     360.000       9.993   26 
+    180000       36000.00      40.036       1.739      41.775   8.85 0.000 1.000 0.227 1.129     363.230     360.000      12.280   26 
+    190000       38000.00      30.325      -1.194      29.132   5.27 0.000 1.000 0.341 1.408     275.125     360.000       9.448   26 
+    200000       40000.00      33.986      -4.004      29.982   7.66 0.071 0.500 0.205 1.892     308.334     360.000      11.800   26 
+    210000       42000.00      32.609     -12.451      20.158   7.14 0.143 0.600 0.209 2.640     295.844     340.000       8.555   26 
+    220000       44000.00      29.262     -10.803      18.460   7.25 0.000 1.000 0.273 2.633     265.483     340.000       9.985   26 
+    230000       46000.00      29.717      -5.361      24.356   7.83 0.071 0.000 0.136 1.344     269.610     340.000      12.214   26 
+    240000       48000.00      35.050      -3.863      31.188   5.63 0.071 0.500 0.477 0.928     317.993     340.000       9.406   26 
+    250000       50000.00      33.419       3.606      37.025  12.55 0.000   NaN   NaN 1.236     303.195     340.000      15.999   26 
+    260000       52000.00      34.592       0.113      34.705   9.70 0.000   NaN   NaN 1.984     313.835     340.000      13.497   26 
+    270000       54000.00      33.017      -8.787      24.229   8.08 0.071 0.500 0.182 1.938     299.545     340.000      11.034   26 
+    280000       56000.00      28.079     -12.138      15.941   5.43 0.071 0.500 0.205 1.543     254.749     340.000       9.981   26 
+    290000       58000.00      34.900      -0.581      34.319   8.32 0.071 0.750 0.227 1.679     316.632     340.000      10.971   26 
+    300000       60000.00      33.834      -8.016      25.818   6.41 0.143 0.600 0.373 2.277     306.959     340.000       8.050   26 
+    310000       62000.00      27.817      -7.715      20.102   4.84 0.143 0.500 0.295 1.662     252.374     340.000       7.929   26 
+    320000       64000.00      34.876      -8.649      26.227   8.97 0.071 0.667 0.136 4.420     316.415     340.000      12.289   26 
+    330000       66000.00      34.619       9.942      44.561   7.19 0.071 0.800 0.345 1.646     314.080     340.000       7.438   26 
+    340000       68000.00      46.607      -6.511      40.096   5.84 0.000   NaN   NaN 2.038     422.841     340.000       9.325   26 
+    350000       70000.00      33.173      -5.230      27.943   8.26 0.071 0.500 0.159 2.876     300.962     340.000      11.408   26 
+    360000       72000.00      34.342      -4.275      30.066  11.43 0.000   NaN   NaN 1.825     311.564     340.000      14.684   26 
+    370000       74000.00      42.042      -5.004      37.038   6.39 0.071 0.833 0.455 2.324     381.423     340.000       7.557   26 
+    380000       76000.00      41.821     -19.642      22.179   5.90 0.071 0.857 0.247 1.472     379.421     340.000       7.403   26 
+    390000       78000.00      36.072       1.387      37.459   9.38 0.071 0.000 0.136 2.651     327.260     340.000      12.459   26 
+    400000       80000.00      24.179     -14.270       9.909   7.67 0.071 0.500 0.159 2.294     219.362     340.000      10.544   26 
+    410000       82000.00      28.798      -4.511      24.288   4.60 0.071 0.800 0.455 3.513     261.274     370.000       7.494   26 
+    420000       84000.00      29.980       0.512      30.492   4.87 0.071 0.750 0.545 0.891     271.994     370.000       8.086   26 
+    430000       86000.00      39.806     -25.381      14.425   5.88 0.071 0.900 0.386 1.173     361.139     370.000       7.210   26 
+    440000       88000.00      35.933      -4.506      31.427   7.44 0.071 0.667 0.242 3.845     325.999     370.000      10.658   26 
+    450000       90000.00      41.796      -4.333      37.462   7.21 0.143 0.714 0.195 2.818     379.191     370.000       9.895   26 
+    460000       92000.00      29.701       6.902      36.603   7.47 0.000   NaN   NaN 1.912     269.466     370.000      10.713   26 
+    470000       94000.00      25.282      -8.473      16.809   6.61 0.071 0.833 0.424 1.739     229.375     370.000       8.242   26 
+    480000       96000.00      39.948      -2.369      37.578   6.30 0.000 1.000 0.227 2.345     362.426     370.000       8.507   26 
+    490000       98000.00      43.263      -6.747      36.515   5.28 0.000 1.000 0.409 2.378     392.500     370.000       8.220   26 
+    500000      100000.00      37.781      -6.209      31.572   5.06 0.143 0.667 0.364 1.428     342.769     370.000       8.028   26 
+    510000      102000.00      41.221      -1.924      39.297   5.08 0.143 0.333 0.424 2.709     373.980     360.000       9.844   26 
+    520000      104000.00      40.578       1.634      42.211   6.55 0.000   NaN   NaN 1.446     368.140     360.000      11.015   26 
+    530000      106000.00      33.811      -2.975      30.836   8.85 0.000   NaN   NaN 1.774     306.748     360.000      13.409   26 
+    540000      108000.00      44.404     -11.528      32.876   5.73 0.143 0.500 0.534 3.652     402.859     360.000       8.136   26 
+    550000      110000.00      42.300      10.205      52.504   5.61 0.000 1.000 0.364 1.812     383.767     360.000       9.030   26 
+    560000      112000.00      34.543      -3.508      31.035   5.55 0.071 0.500 0.341 1.515     313.388     360.000       9.842   26 
+    570000      114000.00      45.648      -6.106      39.542   6.62 0.071 0.667 0.318 1.654     414.146     360.000       7.569   26 
+    580000      116000.00      34.674     -13.811      20.862   4.49 0.071 0.500 0.432 1.277     314.577     360.000       8.274   26 
+    590000      118000.00      35.252      -3.745      31.506   7.15 0.071 0.000 0.136 1.108     319.822     360.000       9.530   26 
+    600000      120000.00      44.736     -12.114      32.622   8.88 0.143 0.000 0.159 0.805     405.871     360.000      12.817   26 
+    610000      122000.00      39.261     -13.246      26.015   4.72 0.143 0.778 0.379 1.762     356.196     360.000       7.349   26 
+    620000      124000.00      28.787       1.723      30.510   5.25 0.143 0.500 0.239 1.628     261.171     360.000       8.665   26 
+    630000      126000.00      46.137      -8.328      37.809   9.58 0.071 0.000 0.182 1.972     418.580     360.000      12.051   26 
+    640000      128000.00      43.229      -0.696      42.534   9.85 0.071 0.000 0.136 2.773     392.199     360.000      13.717   26 
+    650000      130000.00      28.634       1.260      29.894   7.22 0.071 0.750 0.182 1.291     259.779     360.000      10.949   26 
+    660000      132000.00      37.839      -4.759      33.080   5.84 0.000 1.000 0.409 1.481     343.297     360.000       9.659   26 
+    670000      134000.00      36.578     -12.204      24.374   6.19 0.143 0.750 0.318 2.491     331.852     360.000       7.560   26 
+    680000      136000.00      30.382      10.128      40.511  10.29 0.143 0.333 0.167 1.625     275.644     360.000      12.819   26 
+    690000      138000.00      39.373       2.628      42.001   7.86 0.000   NaN   NaN 2.168     357.212     360.000      10.272   26 
+    700000      140000.00      42.069       6.878      48.947   6.21 0.000 1.000 0.273 1.326     381.673     360.000      10.879   26 
+    710000      142000.00      42.053      -5.672      36.381   9.05 0.000 1.000 0.136 1.359     381.524     400.000      13.578   26 
+    720000      144000.00      50.114       5.359      55.473  12.00 0.000   NaN   NaN 2.284     454.662     400.000      15.514   26 
+    730000      146000.00      32.881      12.994      45.874   7.39 0.000   NaN   NaN 3.379     298.311     400.000      10.386   26 
+    740000      148000.00      40.377       0.866      41.242   6.30 0.000 1.000 0.136 2.087     366.319     400.000       8.786   26 
+    750000      150000.00      30.436       3.883      34.319   6.55 0.000 1.000 0.379 3.145     276.132     400.000       8.244   26 
+    760000      152000.00      44.047      17.025      61.072   7.77 0.071 0.000 0.136 5.990     399.613     400.000      12.486   26 
+    770000      154000.00      49.664       3.918      53.582   8.57 0.000 1.000 0.242 3.073     450.577     400.000      10.033   26 
+    780000      156000.00      49.097       1.001      50.098   6.88 0.000 1.000 0.182 2.045     445.434     400.000      10.843   26 
+    790000      158000.00      38.059       3.333      41.393   8.87 0.000   NaN   NaN 0.786     345.295     400.000      11.664   26 
+    800000      160000.00      38.287      15.550      53.837   7.37 0.000   NaN   NaN 2.270     347.355     400.000      10.586   26 
+    810000      162000.00      32.584       2.543      35.127   6.33 0.000 1.000 0.227 1.963     295.620     400.000      10.026   26 
+    820000      164000.00      32.918       8.879      41.797  12.42 0.071 0.000 0.136 3.962     298.650     400.000      15.781   26 
+    830000      166000.00      38.682       0.596      39.278   5.02 0.071 0.800 0.300 1.653     350.945     400.000       8.881   26 
+    840000      168000.00      42.326       0.612      42.938   7.18 0.000   NaN   NaN 2.473     384.006     400.000      10.525   26 
+    850000      170000.00      38.404       6.819      45.223  11.05 0.000   NaN   NaN 1.915     348.425     400.000      14.779   26 
+    860000      172000.00      36.310      -3.172      33.138   5.76 0.000 1.000 0.455 1.172     329.423     400.000      10.857   26 
+    870000      174000.00      39.435      -0.922      38.512   5.71 0.000 1.000 0.500 2.273     357.771     400.000       8.905   26 
+    880000      176000.00      41.719       3.317      45.036  10.41 0.000   NaN   NaN 2.255     378.495     400.000      13.534   26 
+    890000      178000.00      40.811      15.126      55.937   6.59 0.000 1.000 0.136 1.754     370.259     400.000      10.061   26 
+    900000      180000.00      40.898      10.758      51.656   9.96 0.000   NaN   NaN 4.915     371.047     400.000      14.355   26 
+    910000      182000.00      44.805       6.251      51.055   8.36 0.000   NaN   NaN 1.549     406.491     390.000      12.213   26 
+    920000      184000.00      42.734      -1.596      41.138   6.96 0.071 0.500 0.205 1.110     387.707     390.000      10.442   26 
+    930000      186000.00      38.894      -5.151      33.743  11.16 0.071 0.000 0.182 1.621     352.869     390.000      13.660   26 
+    940000      188000.00      37.295      -1.975      35.320   7.61 0.000 1.000 0.205 1.017     338.356     390.000       9.913   26 
+    950000      190000.00      33.654       8.124      41.778   5.77 0.071 0.000 0.136 1.620     305.325     390.000       9.998   26 
+    960000      192000.00      38.771       8.154      46.924   8.10 0.000 1.000 0.295 1.750     351.749     390.000      10.801   26 
+    970000      194000.00      26.043      -2.761      23.282   9.61 0.071 0.667 0.182 1.796     236.276     390.000      13.215   26 
+    980000      196000.00      40.648      -3.073      37.575   9.81 0.071 0.000 0.136 1.720     368.779     390.000      12.327   26 
+    990000      198000.00      36.731      -6.829      29.902   5.04 0.071 0.857 0.442 1.562     333.243     390.000       8.630   26 
+   1000000      200000.00      32.851       3.607      36.458   6.21 0.000 1.000 0.273 1.952     298.043     390.000       9.056   26