Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / Berendsen / ff_gab / 1L2Y_REMD_GB013.stat

diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB013.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
deleted file mode 100644 (file)
index 978349a..0000000
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB013.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      37.698      24.549      62.247  12.87 0.000   NaN   NaN 0.712     342.015     380.000      15.552   13 
-     10000        2000.00      41.663      -6.124      35.540   5.23 0.000 1.000 0.682 2.128     377.991     380.000       9.260   13 
-     20000        4000.00      37.144       6.478      43.622   4.06 0.071 0.875 0.227 2.617     336.989     380.000       7.539   13 
-     30000        6000.00      35.901      -2.658      33.243  10.36 0.000   NaN   NaN 1.645     325.716     380.000      13.533   13 
-     40000        8000.00      34.734       2.815      37.549   9.62 0.000   NaN   NaN 1.615     315.128     380.000      11.743   13 
-     50000       10000.00      39.534       0.732      40.267   9.78 0.214 0.000 0.152 1.526     358.675     380.000      13.107   13 
-     60000       12000.00      35.244      -5.648      29.596   8.43 0.071 0.000 0.182 1.294     319.752     380.000      11.557   13 
-     70000       14000.00      28.097       0.390      28.486   4.76 0.143 0.333 0.197 2.233     254.909     380.000       7.984   13 
-     80000       16000.00      31.590       9.648      41.238   4.90 0.000   NaN   NaN 2.189     286.605     380.000       9.399   13 
-     90000       18000.00      30.093      11.124      41.217   8.57 0.000   NaN   NaN 2.002     273.017     380.000      11.576   13 
-    100000       20000.00      31.952      -6.434      25.518   7.09 0.000 1.000 0.136 2.346     289.889     380.000      10.222   13 
-    110000       22000.00      39.095       1.311      40.406   8.26 0.000 1.000 0.227 1.699     354.688     370.000      11.191   13 
-    120000       24000.00      40.816      -5.998      34.818   6.12 0.143 0.333 0.379 2.112     370.300     370.000      10.358   13 
-    130000       26000.00      25.934      13.560      39.494   7.92 0.000 1.000 0.182 2.059     235.284     370.000      10.563   13 
-    140000       28000.00      36.215       9.281      45.496   8.67 0.071 0.000 0.182 2.878     328.559     370.000      12.740   13 
-    150000       30000.00      35.910      -0.855      35.055   4.53 0.071 0.750 0.239 4.178     325.790     370.000       8.734   13 
-    160000       32000.00      39.226      -6.113      33.113   4.78 0.071 0.750 0.477 1.586     355.878     370.000       7.615   13 
-    170000       34000.00      31.787      -2.267      29.520   5.16 0.214 0.571 0.266 4.103     288.385     370.000       8.580   13 
-    180000       36000.00      38.745      -0.900      37.846   6.49 0.143 0.500 0.170 2.409     351.518     370.000       9.208   13 
-    190000       38000.00      36.065      -2.513      33.551   4.61 0.000   NaN   NaN 2.486     327.197     370.000       9.752   13 
-    200000       40000.00      35.896       4.981      40.876   7.01 0.000 1.000 0.255 2.454     325.663     370.000       8.006   13 
-    210000       42000.00      31.272       4.080      35.352   5.58 0.071 0.667 0.348 1.691     283.712     360.000       8.754   13 
-    220000       44000.00      27.058      -6.112      20.946  10.21 0.071 0.500 0.136 1.606     245.483     360.000      13.002   13 
-    230000       46000.00      36.511      -7.596      28.914  10.06 0.000 1.000 0.182 1.256     331.244     360.000      13.520   13 
-    240000       48000.00      33.090      -1.304      31.787   6.54 0.000 1.000 0.348 1.258     300.213     360.000       8.482   13 
-    250000       50000.00      35.400       1.161      36.562   7.14 0.000 1.000 0.182 1.822     321.169     360.000      11.368   13 
-    260000       52000.00      38.392      -3.052      35.340   5.20 0.000 1.000 0.470 2.221     348.310     360.000       8.425   13 
-    270000       54000.00      29.996      -4.927      25.069   9.26 0.071 0.000 0.182 4.776     272.142     360.000      12.056   13 
-    280000       56000.00      35.702       1.092      36.794   7.01 0.000 1.000 0.227 1.260     323.904     360.000      10.251   13 
-    290000       58000.00      44.185      -1.943      42.241   8.63 0.071 0.500 0.182 2.290     400.865     360.000      10.847   13 
-    300000       60000.00      26.919       5.945      32.864   7.52 0.000 1.000 0.205 3.133     244.224     360.000      11.711   13 
-    310000       62000.00      38.591       0.831      39.422   5.65 0.143 0.600 0.300 2.435     350.116     400.000       8.341   13 
-    320000       64000.00      42.742       0.018      42.761  12.42 0.000   NaN   NaN 1.655     387.781     400.000      15.705   13 
-    330000       66000.00      40.993       1.367      42.360   9.43 0.000   NaN   NaN 2.104     371.906     400.000      12.949   13 
-    340000       68000.00      36.924       3.600      40.524   5.52 0.071 0.500 0.182 3.600     334.994     400.000       8.632   13 
-    350000       70000.00      36.725       9.611      46.337   6.42 0.071 0.667 0.364 1.065     333.193     400.000       9.650   13 
-    360000       72000.00      41.317       2.489      43.806   5.92 0.143 0.333 0.152 1.701     374.853     400.000       9.627   13 
-    370000       74000.00      41.980       4.741      46.721   7.07 0.071 0.000 0.182 2.347     380.867     400.000      11.922   13 
-    380000       76000.00      47.133       5.506      52.639   6.70 0.000 1.000 0.394 1.325     427.611     400.000      10.007   13 
-    390000       78000.00      39.920      -5.278      34.642   4.71 0.143 0.500 0.227 1.979     362.177     400.000       9.317   13 
-    400000       80000.00      36.738       0.724      37.463   9.01 0.000   NaN   NaN 2.083     333.307     400.000      13.005   13 
-    410000       82000.00      44.795       0.121      44.916   6.97 0.000 1.000 0.182 1.330     406.401     390.000       8.416   13 
-    420000       84000.00      37.000       4.245      41.246   5.69 0.000 1.000 0.273 2.128     335.686     390.000       9.727   13 
-    430000       86000.00      32.617       4.852      37.468   4.78 0.000   NaN   NaN 2.369     295.915     390.000       9.500   13 
-    440000       88000.00      41.906       9.232      51.139   7.44 0.071 0.000 0.136 2.557     380.194     390.000      12.012   13 
-    450000       90000.00      31.590      14.055      45.644   7.54 0.000   NaN   NaN 2.876     286.597     390.000      10.643   13 
-    460000       92000.00      35.423       9.720      45.143   5.67 0.000 1.000 0.409 0.860     321.379     390.000       8.862   13 
-    470000       94000.00      40.034       1.163      41.197   8.05 0.071 0.500 0.205 1.815     363.210     390.000      12.172   13 
-    480000       96000.00      40.154       5.208      45.362   7.16 0.000 1.000 0.250 0.974     364.296     390.000      10.495   13 
-    490000       98000.00      48.552       5.315      53.867   6.83 0.000 1.000 0.386 3.177     440.488     390.000      10.166   13 
-    500000      100000.00      47.492      12.393      59.886   7.65 0.000   NaN   NaN 1.368     430.876     390.000      11.348   13 
-    510000      102000.00      32.642     -13.073      19.569   7.17 0.071 0.750 0.182 1.038     296.144     380.000      10.601   13 
-    520000      104000.00      43.463       3.665      47.129   5.35 0.071 0.000 0.136 2.381     394.321     380.000       8.124   13 
-    530000      106000.00      42.749      -1.033      41.716   7.31 0.071 0.750 0.170 1.795     387.839     380.000      11.156   13 
-    540000      108000.00      40.458      -2.113      38.344   5.25 0.000   NaN   NaN 2.188     367.053     380.000       8.192   13 
-    550000      110000.00      38.375       0.599      38.974   6.12 0.000 1.000 0.333 2.382     348.162     380.000       9.408   13 
-    560000      112000.00      40.102      -3.815      36.287   4.97 0.071 0.667 0.167 1.923     363.824     380.000       9.123   13 
-    570000      114000.00      42.031       3.545      45.575   6.93 0.000 1.000 0.295 2.352     381.326     380.000      11.082   13 
-    580000      116000.00      48.866      -3.754      45.112   7.36 0.000 1.000 0.242 1.874     443.337     380.000       9.933   13 
-    590000      118000.00      34.653      -3.148      31.505   4.40 0.000 1.000 0.136 2.088     314.387     380.000       8.521   13 
-    600000      120000.00      32.843      -0.311      32.533   8.67 0.000   NaN   NaN 1.356     297.972     380.000      10.559   13 
-    610000      122000.00      39.378       0.898      40.276   6.40 0.000 1.000 0.273 1.286     357.255     370.000      10.574   13 
-    620000      124000.00      31.549       3.053      34.602   7.99 0.000 1.000 0.250 2.148     286.233     370.000      10.851   13 
-    630000      126000.00      35.766       6.335      42.101   4.17 0.071 0.667 0.530 1.711     324.490     370.000       8.074   13 
-    640000      128000.00      31.683      -4.523      27.160   5.37 0.143 0.778 0.308 1.808     287.445     370.000       7.757   13 
-    650000      130000.00      51.236       0.191      51.427   6.18 0.071 0.750 0.432 1.940     464.843     370.000       7.894   13 
-    660000      132000.00      33.616     -13.617      19.998   5.65 0.143 0.000 0.159 1.579     304.980     370.000      10.397   13 
-    670000      134000.00      32.843      -1.991      30.852   4.73 0.071 0.750 0.205 2.949     297.965     370.000       9.313   13 
-    680000      136000.00      34.251       0.015      34.266   7.61 0.000 1.000 0.205 2.176     310.740     370.000      11.427   13 
-    690000      138000.00      40.055       9.737      49.792   6.03 0.071 0.500 0.159 2.051     363.402     370.000       9.931   13 
-    700000      140000.00      27.828      -7.169      20.659   6.02 0.000 1.000 0.402 1.484     252.474     370.000       8.547   13 
-    710000      142000.00      34.497      -2.901      31.596   5.21 0.000 1.000 0.212 2.728     312.974     360.000       9.002   13 
-    720000      144000.00      39.576      -1.550      38.026   6.54 0.071 0.500 0.205 2.890     359.058     360.000      10.672   13 
-    730000      146000.00      34.831      -3.591      31.240  11.54 0.000   NaN   NaN 3.354     316.005     360.000      15.056   13 
-    740000      148000.00      34.279     -16.257      18.022   5.74 0.000 1.000 0.212 1.510     310.993     360.000       8.332   13 
-    750000      150000.00      35.058       7.909      42.967   8.04 0.000   NaN   NaN 2.330     318.062     360.000      10.237   13 
-    760000      152000.00      49.687       1.601      51.287   5.97 0.143 0.600 0.364 2.300     450.785     360.000       7.406   13 
-    770000      154000.00      39.478      -4.214      35.264   7.46 0.000 1.000 0.568 1.703     358.166     360.000       9.524   13 
-    780000      156000.00      34.890      -8.488      26.402   5.85 0.000 1.000 0.282 1.581     316.538     360.000       8.009   13 
-    790000      158000.00      35.373      -7.586      27.787   6.05 0.000 1.000 0.352 1.159     320.920     360.000       7.912   13 
-    800000      160000.00      35.006      -7.687      27.319   9.45 0.071 0.000 0.136 1.535     317.595     360.000      13.555   13 
-    810000      162000.00      34.122      -4.994      29.128   6.91 0.000 1.000 0.295 1.154     309.571     360.000      10.217   13 
-    820000      164000.00      35.630       5.760      41.390   6.62 0.071 0.000 0.136 1.498     323.254     360.000      11.848   13 
-    830000      166000.00      31.485      -9.721      21.764   6.22 0.000 1.000 0.614 0.804     285.648     360.000       8.351   13 
-    840000      168000.00      34.645     -11.363      23.282   6.85 0.000 1.000 0.394 1.931     314.321     360.000       7.744   13 
-    850000      170000.00      40.999      -8.535      32.465   6.53 0.071 0.800 0.327 3.828     371.965     360.000       7.649   13 
-    860000      172000.00      38.553       1.431      39.984   8.23 0.000 1.000 0.136 1.631     349.771     360.000      13.145   13 
-    870000      174000.00      40.607      -1.397      39.210   4.47 0.000 1.000 0.227 1.737     368.404     360.000       8.653   13 
-    880000      176000.00      35.420      -3.499      31.921   5.29 0.000   NaN   NaN 2.805     321.348     360.000       9.087   13 
-    890000      178000.00      38.070      -6.415      31.655   8.36 0.071 0.000 0.136 1.234     345.391     360.000      13.070   13 
-    900000      180000.00      33.895       1.405      35.301   7.51 0.000 1.000 0.355 2.239     307.516     360.000      11.041   13 
-    910000      182000.00      38.619      -0.648      37.971   9.12 0.071 0.000 0.182 1.898     350.368     400.000      11.788   13 
-    920000      184000.00      38.706      -2.844      35.863   6.54 0.000   NaN   NaN 2.206     351.164     400.000      11.399   13 
-    930000      186000.00      44.295       5.423      49.719   7.83 0.000 1.000 0.242 1.513     401.869     400.000       9.138   13 
-    940000      188000.00      42.573       5.371      47.944   5.19 0.071 0.667 0.576 2.491     386.244     400.000       9.815   13 
-    950000      190000.00      31.419       6.805      38.224   7.15 0.000   NaN   NaN 1.425     285.045     400.000      11.740   13 
-    960000      192000.00      45.506       0.753      46.259   5.15 0.000 1.000 0.182 2.054     412.853     400.000       9.339   13 
-    970000      194000.00      35.574      -5.929      29.645   7.54 0.071 0.750 0.239 2.127     322.741     400.000      10.703   13 
-    980000      196000.00      40.265      -2.285      37.980   8.65 0.000   NaN   NaN 1.051     365.303     400.000      13.623   13 
-    990000      198000.00      39.275      13.924      53.199  10.51 0.000   NaN   NaN 1.068     356.319     400.000      14.656   13 
-   1000000      200000.00      50.015       6.729      56.744   9.02 0.000 1.000 0.182 2.519     453.761     400.000      13.218   13