Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres into adasko

[unres.git] / examples / unres / new / REMD / Langevin / ff_gab / 1L2Y_REMD_GB010.stat

diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB010.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB010.stat
deleted file mode 100644 (file)
index 476f154..0000000
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB010.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      49.436      20.978      70.414  12.87 0.000   NaN   NaN 0.932     448.513     350.000      15.552   10 
-     10000        2000.00      54.096     -16.831      37.266   9.60 0.000   NaN   NaN 2.997     490.791     350.000      13.778   10 
-     20000        4000.00      38.259      -1.408      36.852  11.03 0.000 1.000 0.136 1.678     347.110     350.000      14.734   10 
-     30000        6000.00      42.868     -16.992      25.876   8.58 0.071 0.667 0.197 1.729     388.921     350.000      12.506   10 
-     40000        8000.00      36.470      -7.994      28.476  10.11 0.000 1.000 0.227 1.574     330.875     350.000      13.603   10 
-     50000       10000.00      41.661       0.243      41.905   7.26 0.143 0.333 0.152 2.241     377.974     350.000      10.233   10 
-     60000       12000.00      45.967     -17.049      28.917   6.22 0.143 0.500 0.148 1.391     417.033     350.000       9.617   10 
-     70000       14000.00      36.879     -14.869      22.010   7.35 0.071 0.800 0.164 2.385     334.584     350.000       9.233   10 
-     80000       16000.00      48.100     -23.978      24.122   7.04 0.143 0.800 0.300 2.234     436.384     350.000       7.287   10 
-     90000       18000.00      40.537      -7.699      32.839   6.68 0.143 0.667 0.273 2.492     367.775     350.000       7.491   10 
-    100000       20000.00      41.859     -21.490      20.368   7.18 0.143 0.750 0.233 2.049     379.763     350.000       7.840   10 
-    110000       22000.00      35.326     -19.569      15.757   4.61 0.214 0.769 0.437 1.520     320.499     340.000       6.978   10 
-    120000       24000.00      50.698     -28.941      21.757   3.94 0.071 0.857 0.357 1.984     459.961     340.000       7.523   10 
-    130000       26000.00      52.086     -24.969      27.118   5.10 0.143 0.800 0.355 2.441     472.555     340.000       8.174   10 
-    140000       28000.00      42.577     -16.079      26.498   7.06 0.071 0.833 0.364 1.260     386.280     340.000       9.786   10 
-    150000       30000.00      46.096     -27.279      18.817   6.07 0.143 0.714 0.357 1.543     418.206     340.000       7.466   10 
-    160000       32000.00      43.341     -18.056      25.285   5.62 0.143 0.833 0.307 2.071     393.216     340.000       7.276   10 
-    170000       34000.00      37.983     -13.751      24.232   4.82 0.214 0.769 0.399 3.101     344.602     340.000       6.998   10 
-    180000       36000.00      43.272     -19.150      24.123   4.86 0.143 0.800 0.514 2.713     392.590     340.000       7.557   10 
-    190000       38000.00      38.216     -14.148      24.068   6.16 0.143 0.714 0.188 1.605     346.713     340.000       7.171   10 
-    200000       40000.00      36.281     -40.780      -4.499   3.50 0.143 0.846 0.357 2.238     329.160     340.000       6.789   10 
-    210000       42000.00      34.740     -31.888       2.853   3.37 0.286 0.765 0.369 1.552     315.182     330.000       6.538   10 
-    220000       44000.00      40.351     -39.966       0.385   3.21 0.286 0.600 0.386 3.395     366.086     330.000       6.978   10 
-    230000       46000.00      35.101     -27.737       7.364   2.86 0.286 0.500 0.250 2.996     318.453     330.000       7.428   10 
-    240000       48000.00      33.227     -23.031      10.195   2.90 0.143 0.750 0.415 2.192     301.450     330.000       7.234   10 
-    250000       50000.00      35.922     -33.789       2.133   3.76 0.357 0.500 0.432 1.787     325.904     330.000       6.579   10 
-    260000       52000.00      39.171     -38.988       0.183   3.74 0.357 0.643 0.334 2.649     355.375     330.000       6.736   10 
-    270000       54000.00      42.263     -27.835      14.428   2.92 0.214 0.750 0.307 2.371     383.435     330.000       6.568   10 
-    280000       56000.00      34.595     -34.182       0.413   3.22 0.357 0.667 0.394 1.740     313.865     330.000       6.648   10 
-    290000       58000.00      38.104     -25.859      12.245   5.00 0.071 0.889 0.263 4.215     345.697     330.000       7.265   10 
-    300000       60000.00      46.253     -13.245      33.009   7.29 0.071 0.900 0.286 1.835     419.635     330.000       7.006   10 
-    310000       62000.00      58.993      -4.303      54.689   7.20 0.071 0.667 0.197 4.058     535.213     370.000      10.389   10 
-    320000       64000.00      34.367     -17.387      16.980   5.25 0.143 0.500 0.250 2.965     311.797     370.000       6.741   10 
-    330000       66000.00      53.861     -13.057      40.804   4.82 0.071 0.800 0.382 2.365     488.654     370.000       7.151   10 
-    340000       68000.00      38.107     -17.316      20.790   5.83 0.071 0.800 0.255 2.909     345.723     370.000       8.578   10 
-    350000       70000.00      53.342     -15.270      38.073   5.59 0.143 0.667 0.492 2.945     483.949     370.000       7.260   10 
-    360000       72000.00      45.920     -17.338      28.581   6.27 0.071 0.833 0.333 1.152     416.606     370.000       9.076   10 
-    370000       74000.00      50.680     -10.247      40.433   6.51 0.000 1.000 0.545 1.610     459.799     370.000       9.309   10 
-    380000       76000.00      47.093     -10.127      36.966   5.84 0.000 1.000 0.500 1.143     427.256     370.000       8.488   10 
-    390000       78000.00      41.448     -11.069      30.380   6.12 0.143 0.714 0.403 1.746     376.038     370.000       7.413   10 
-    400000       80000.00      42.534     -16.296      26.238   5.86 0.357 0.583 0.409 3.435     385.892     370.000       7.160   10 
-    410000       82000.00      44.737     -14.985      29.752   6.18 0.143 0.714 0.429 3.115     405.874     360.000       7.458   10 
-    420000       84000.00      42.636     -11.187      31.449   5.40 0.000 1.000 0.443 4.807     386.818     360.000       8.919   10 
-    430000       86000.00      47.668     -11.792      35.876   5.20 0.071 0.750 0.614 1.505     432.466     360.000       9.708   10 
-    440000       88000.00      32.924     -13.206      19.717   5.82 0.071 0.667 0.439 1.318     298.701     360.000       8.791   10 
-    450000       90000.00      53.609       5.613      59.222   4.45 0.071 0.667 0.333 1.436     486.367     360.000       8.369   10 
-    460000       92000.00      40.391       0.338      40.729   4.99 0.071 0.667 0.288 2.310     366.445     360.000       9.114   10 
-    470000       94000.00      39.636     -21.692      17.944   4.79 0.214 0.667 0.258 3.266     359.601     360.000       8.635   10 
-    480000       96000.00      49.175     -22.487      26.689   5.58 0.143 0.778 0.364 1.611     446.142     360.000       7.167   10 
-    490000       98000.00      34.378      -9.328      25.049   5.90 0.071 0.857 0.344 1.126     311.894     360.000       7.473   10 
-    500000      100000.00      40.973     -19.761      21.212   5.76 0.000 1.000 0.318 1.406     371.726     360.000       8.631   10 
-    510000      102000.00      41.662     -28.014      13.648   6.01 0.214 0.700 0.409 1.893     377.978     350.000       7.361   10 
-    520000      104000.00      39.478     -16.363      23.115   6.03 0.214 0.625 0.420 1.936     358.163     350.000       7.302   10 
-    530000      106000.00      45.805     -22.342      23.463   6.04 0.071 0.667 0.470 1.226     415.564     350.000       7.607   10 
-    540000      108000.00      37.204     -17.894      19.310   6.40 0.000 1.000 0.371 0.899     337.538     350.000       7.846   10 
-    550000      110000.00      36.598     -17.554      19.043   6.06 0.071 0.667 0.500 2.050     332.032     350.000       7.639   10 
-    560000      112000.00      44.024     -22.755      21.269   6.12 0.214 0.750 0.436 2.624     399.409     350.000       7.098   10 
-    570000      114000.00      41.469     -17.367      24.101   6.08 0.143 0.750 0.568 1.208     376.224     350.000       7.026   10 
-    580000      116000.00      34.015      -0.609      33.407   6.16 0.000 1.000 0.227 1.692     308.605     350.000       8.802   10 
-    590000      118000.00      38.957      -1.214      37.744   7.05 0.000 1.000 0.330 1.431     353.443     350.000       9.148   10 
-    600000      120000.00      39.166     -35.263       3.904   7.14 0.071 0.889 0.308 1.393     355.335     350.000       7.026   10 
-    610000      122000.00      44.445     -19.511      24.934   6.97 0.214 0.727 0.293 2.057     403.232     340.000       6.842   10 
-    620000      124000.00      37.609     -20.590      17.019   5.96 0.143 0.778 0.268 1.337     341.207     340.000       7.771   10 
-    630000      126000.00      39.841     -23.346      16.495   5.99 0.143 0.600 0.218 1.695     361.460     340.000       9.112   10 
-    640000      128000.00      36.821     -36.165       0.656   5.60 0.143 0.750 0.250 1.322     334.057     340.000       7.306   10 
-    650000      130000.00      33.307     -29.128       4.179   6.39 0.143 0.800 0.282 2.620     302.180     340.000       7.176   10 
-    660000      132000.00      36.148     -28.238       7.910   7.21 0.214 0.750 0.341 0.801     327.956     340.000       6.805   10 
-    670000      134000.00      42.309     -20.407      21.902   6.50 0.143 0.778 0.278 1.836     383.845     340.000       7.123   10 
-    680000      136000.00      37.615     -15.159      22.456   5.21 0.214 0.500 0.364 1.795     341.259     340.000       7.824   10 
-    690000      138000.00      45.296     -21.376      23.920   4.97 0.214 0.571 0.545 1.475     410.949     340.000       8.277   10 
-    700000      140000.00      34.099     -22.850      11.249   5.26 0.143 0.600 0.282 3.912     309.364     340.000       8.641   10 
-    710000      142000.00      38.869      -6.962      31.907   5.74 0.143 0.333 0.439 1.985     352.641     390.000       9.999   10 
-    720000      144000.00      61.738      -9.276      52.463   5.54 0.000 1.000 0.515 1.502     560.120     390.000       8.553   10 
-    730000      146000.00      44.335      -8.421      35.915   5.91 0.000 1.000 0.398 2.198     402.234     390.000       8.458   10 
-    740000      148000.00      42.475      -0.955      41.520   4.78 0.000 1.000 0.439 2.255     385.359     390.000       8.637   10 
-    750000      150000.00      50.096     -12.241      37.855   5.57 0.000 1.000 0.455 2.032     454.499     390.000       9.061   10 
-    760000      152000.00      38.851     -13.782      25.069   5.96 0.143 0.600 0.627 1.607     352.476     390.000       8.908   10 
-    770000      154000.00      33.053     -10.738      22.315   5.81 0.143 0.667 0.417 2.538     299.874     390.000       7.969   10 
-    780000      156000.00      51.627      -3.598      48.029   8.14 0.071 0.500 0.159 1.522     468.385     390.000      11.528   10 
-    790000      158000.00      40.544       9.849      50.392   8.30 0.071 0.667 0.242 1.379     367.834     390.000      10.782   10 
-    800000      160000.00      46.787      -7.443      39.344   7.05 0.071 0.500 0.182 1.470     424.474     390.000      10.492   10 
-    810000      162000.00      61.204       0.678      61.882   9.99 0.000   NaN   NaN 1.525     555.270     400.000      13.970   10 
-    820000      164000.00      48.968      -4.217      44.751   8.33 0.000   NaN   NaN 1.878     444.265     400.000      12.762   10 
-    830000      166000.00      62.925      28.857      91.781   5.83 0.000   NaN   NaN 2.515     570.885     400.000      10.944   10 
-    840000      168000.00      43.729      -8.933      34.796   9.04 0.071 0.500 0.182 1.578     396.730     400.000      13.131   10 
-    850000      170000.00      55.646      15.143      70.789   9.21 0.000   NaN   NaN 2.346     504.846     400.000      13.916   10 
-    860000      172000.00      51.661      -0.444      51.217   9.54 0.071 0.000 0.136 2.562     468.696     400.000      13.042   10 
-    870000      174000.00      60.950     -17.827      43.122   9.56 0.000   NaN   NaN 0.893     552.966     400.000      12.460   10 
-    880000      176000.00      37.873       8.658      46.531  12.86 0.000   NaN   NaN 2.907     343.601     400.000      15.782   10 
-    890000      178000.00      49.138       5.593      54.730  12.06 0.000   NaN   NaN 1.663     445.803     400.000      15.979   10 
-    900000      180000.00      48.699       9.654      58.353  11.32 0.000   NaN   NaN 1.571     441.823     400.000      15.268   10 
-    910000      182000.00      44.966       0.627      45.594  11.88 0.071 0.000 0.136 2.858     407.958     390.000      14.992   10 
-    920000      184000.00      34.417     -13.879      20.537   8.67 0.214 0.400 0.173 1.970     312.248     390.000      10.382   10 
-    930000      186000.00      38.752       6.900      45.652   7.33 0.071 0.750 0.205 2.493     351.578     390.000      11.534   10 
-    940000      188000.00      52.346       5.824      58.170   6.59 0.000   NaN   NaN 3.139     474.913     390.000      11.783   10 
-    950000      190000.00      39.573      -4.869      34.704   6.30 0.071 0.000 0.136 2.562     359.025     390.000      11.408   10 
-    960000      192000.00      38.333      -7.599      30.734   4.76 0.071 0.000 0.136 1.570     347.777     390.000       9.582   10 
-    970000      194000.00      39.238      -5.070      34.168   4.86 0.000 1.000 0.182 1.761     355.986     390.000       9.238   10 
-    980000      196000.00      37.340       4.328      41.668   5.73 0.143 0.333 0.182 1.565     338.769     390.000      10.267   10 
-    990000      198000.00      46.138     -11.236      34.902   6.30 0.071 0.500 0.182 1.507     418.586     390.000       9.925   10 
-   1000000      200000.00      39.103     -12.795      26.307   8.54 0.000   NaN   NaN 2.215     354.758     390.000      12.520   10