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

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB028.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat
deleted file mode 100644 (file)
index 9f1d4fd..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.525     114.373     148.898  12.87 0.000   NaN   NaN 4.850     313.225     320.000      15.552   28 
-     10000        2000.00      33.429      -8.301      25.128   6.65 0.000 1.000 0.432 0.846     303.289     320.000       8.784   28 
-     20000        4000.00      28.727     -14.873      13.854   6.15 0.071 0.875 0.239 0.350     260.629     320.000       7.712   28 
-     30000        6000.00      33.767     -17.489      16.278   3.67 0.214 0.667 0.273 0.472     306.349     320.000       7.209   28 
-     40000        8000.00      28.581      -1.561      27.020   7.53 0.214 0.667 0.187 0.414     259.304     320.000       9.094   28 
-     50000       10000.00      30.914     -10.361      20.553   6.00 0.143 0.000 0.159 0.427     280.464     320.000       9.997   28 
-     60000       12000.00      33.002     -12.059      20.943   3.80 0.071 0.909 0.289 0.708     299.414     320.000       7.176   28 
-     70000       14000.00      33.374     -11.810      21.563   2.81 0.286 0.636 0.314 0.766     302.783     320.000       7.301   28 
-     80000       16000.00      33.073     -15.361      17.712   3.64 0.214 0.625 0.199 0.709     300.059     320.000       7.763   28 
-     90000       18000.00      37.584      -8.963      28.621   4.58 0.071 0.875 0.216 1.109     340.983     320.000       7.690   28 
-    100000       20000.00      27.106      -8.861      18.245   3.80 0.286 0.714 0.299 0.563     245.919     320.000       6.787   28 
-    110000       22000.00      31.561     -15.714      15.847   4.71 0.214 0.700 0.336 0.329     286.340     330.000       6.544   28 
-    120000       24000.00      29.840     -18.195      11.645   6.84 0.214 0.571 0.221 0.817     270.726     330.000       8.319   28 
-    130000       26000.00      28.222     -11.656      16.566   5.20 0.286 0.667 0.277 0.400     256.041     330.000       6.531   28 
-    140000       28000.00      30.753      -2.168      28.585   6.26 0.214 0.400 0.209 0.672     279.010     330.000       9.389   28 
-    150000       30000.00      34.589      -4.555      30.034   6.69 0.214 0.700 0.227 0.394     313.810     330.000       7.894   28 
-    160000       32000.00      36.090       3.509      39.600   6.36 0.071 0.889 0.273 0.889     327.431     330.000       7.879   28 
-    170000       34000.00      35.156     -10.439      24.717   4.20 0.071 0.900 0.250 0.643     318.954     330.000       6.917   28 
-    180000       36000.00      40.512      -3.967      36.544   4.74 0.071 0.857 0.234 0.268     367.542     330.000       8.081   28 
-    190000       38000.00      44.774      -2.817      41.957   4.81 0.071 0.875 0.250 1.080     406.217     330.000       7.902   28 
-    200000       40000.00      34.174      -7.408      26.765   4.46 0.214 0.700 0.200 0.209     310.040     330.000       7.923   28 
-    210000       42000.00      40.270     -13.084      27.186   4.48 0.214 0.700 0.209 1.536     365.354     330.000       7.166   28 
-    220000       44000.00      35.003     -12.105      22.899   6.89 0.214 0.700 0.286 0.615     317.568     330.000       7.758   28 
-    230000       46000.00      40.338     -18.410      21.928   4.11 0.214 0.400 0.327 0.258     365.964     330.000       7.665   28 
-    240000       48000.00      28.957      -4.710      24.247   5.62 0.143 0.714 0.312 0.534     262.712     330.000       8.232   28 
-    250000       50000.00      31.406      -6.851      24.555   6.66 0.214 0.786 0.237 0.466     284.932     330.000       7.520   28 
-    260000       52000.00      33.713       5.303      39.015   5.29 0.000 1.000 0.409 0.503     305.858     330.000       8.415   28 
-    270000       54000.00      43.930       1.863      45.792   5.99 0.071 0.833 0.212 0.663     398.555     330.000       8.050   28 
-    280000       56000.00      37.398     -13.265      24.132   5.82 0.000 1.000 0.191 0.877     339.290     330.000       8.658   28 
-    290000       58000.00      28.870      -9.446      19.424   4.40 0.286 0.556 0.263 0.816     261.921     330.000       6.745   28 
-    300000       60000.00      32.311      -1.703      30.607   5.38 0.071 0.833 0.250 0.315     293.139     330.000       8.000   28 
-    310000       62000.00      39.010      -0.693      38.317   7.28 0.143 0.750 0.273 0.822     353.919     340.000       7.380   28 
-    320000       64000.00      37.744      -5.918      31.826   6.19 0.071 0.923 0.294 0.659     342.432     340.000       7.590   28 
-    330000       66000.00      32.309      -6.971      25.339   5.33 0.143 0.750 0.210 0.520     293.128     340.000       7.753   28 
-    340000       68000.00      32.812     -14.841      17.971   4.20 0.071 0.909 0.207 0.662     297.683     340.000       7.794   28 
-    350000       70000.00      33.794       0.343      34.137   3.62 0.357 0.167 0.250 0.432     306.597     340.000       7.337   28 
-    360000       72000.00      33.157       3.702      36.859   5.67 0.000 1.000 0.447 0.964     300.818     340.000       7.061   28 
-    370000       74000.00      33.559      -1.653      31.906   3.66 0.000 1.000 0.216 1.017     304.463     340.000       8.482   28 
-    380000       76000.00      37.988       0.098      38.086   6.43 0.071 0.833 0.417 0.895     344.647     340.000       7.386   28 
-    390000       78000.00      44.638      -2.946      41.692   7.47 0.071 0.833 0.197 0.978     404.980     340.000       9.902   28 
-    400000       80000.00      30.052      -0.016      30.036   5.20 0.143 0.750 0.278 0.238     272.647     340.000       7.698   28 
-    410000       82000.00      31.226      -4.891      26.335   4.67 0.071 0.750 0.239 0.680     283.297     340.000       7.529   28 
-    420000       84000.00      24.705       0.643      25.347   4.95 0.000 1.000 0.318 0.494     224.132     340.000       7.589   28 
-    430000       86000.00      33.521      -0.487      33.033   3.33 0.071 0.750 0.227 0.345     304.117     340.000       8.053   28 
-    440000       88000.00      33.300      -5.211      28.089   3.99 0.000 1.000 0.442 0.526     302.111     340.000       6.995   28 
-    450000       90000.00      28.689      -4.102      24.587   3.20 0.357 0.643 0.286 0.593     260.278     340.000       6.968   28 
-    460000       92000.00      38.824       9.046      47.871   6.94 0.000 1.000 0.197 1.023     352.235     340.000      10.818   28 
-    470000       94000.00      36.407      -0.664      35.743   5.68 0.071 0.800 0.427 0.503     330.304     340.000       8.063   28 
-    480000       96000.00      29.597      -8.359      21.238   6.82 0.214 0.400 0.173 0.356     268.515     340.000      10.292   28 
-    490000       98000.00      31.977      -5.936      26.041   6.08 0.000 1.000 0.260 0.397     290.108     340.000       7.201   28 
-    500000      100000.00      31.872      -8.325      23.546   6.66 0.214 0.700 0.223 0.566     289.155     340.000       8.325   28 
-    510000      102000.00      41.988      -2.648      39.340   4.96 0.143 0.500 0.182 0.587     380.940     340.000       8.273   28 
-    520000      104000.00      43.105      -2.857      40.249   4.68 0.071 0.900 0.268 0.566     391.075     340.000       7.631   28 
-    530000      106000.00      37.459       0.432      37.892   6.57 0.143 0.600 0.182 0.634     339.851     340.000       9.290   28 
-    540000      108000.00      32.001      -8.363      23.638   3.47 0.643 0.308 0.329 0.465     290.331     340.000       6.914   28 
-    550000      110000.00      39.331       8.975      48.306   6.70 0.000   NaN   NaN 0.562     356.835     340.000       8.533   28 
-    560000      112000.00      32.689       3.973      36.662   8.49 0.000 1.000 0.205 0.352     296.574     340.000      12.025   28 
-    570000      114000.00      41.256      -2.866      38.390   5.45 0.071 0.667 0.182 0.150     374.299     340.000       9.425   28 
-    580000      116000.00      41.389      -2.642      38.747   4.53 0.071 0.750 0.193 0.280     375.503     340.000       8.400   28 
-    590000      118000.00      33.438      -1.114      32.324   4.73 0.214 0.500 0.197 0.853     303.370     340.000       7.708   28 
-    600000      120000.00      31.992       0.098      32.090   6.68 0.071 0.857 0.162 0.234     290.251     340.000       9.137   28 
-    610000      122000.00      31.883     -16.438      15.445   3.89 0.357 0.615 0.308 0.552     289.259     320.000       7.619   28 
-    620000      124000.00      30.024       7.888      37.912   8.20 0.071 0.800 0.182 0.769     272.389     320.000      10.123   28 
-    630000      126000.00      29.202     -10.856      18.346   6.75 0.143 0.667 0.364 0.528     264.932     320.000       7.265   28 
-    640000      128000.00      27.979      -3.511      24.468   4.17 0.357 0.583 0.246 0.447     253.842     320.000       7.954   28 
-    650000      130000.00      31.432     -11.592      19.840   5.38 0.000 1.000 0.331 0.773     285.170     320.000       7.037   28 
-    660000      132000.00      34.279     -11.519      22.760   5.95 0.214 0.667 0.268 0.259     310.995     320.000       7.738   28 
-    670000      134000.00      23.698      -9.565      14.134   3.63 0.214 0.625 0.222 0.562     215.003     320.000       7.553   28 
-    680000      136000.00      35.473     -22.261      13.212   2.83 0.214 0.700 0.286 0.620     321.830     320.000       7.030   28 
-    690000      138000.00      27.612     -12.184      15.427   4.44 0.143 0.800 0.200 0.548     250.507     320.000       8.209   28 
-    700000      140000.00      37.098     -11.801      25.296   5.82 0.071 0.889 0.263 1.113     336.570     320.000       7.493   28 
-    710000      142000.00      33.687     -17.146      16.541   3.83 0.214 0.700 0.327 0.680     305.629     310.000       6.867   28 
-    720000      144000.00      27.256      -6.064      21.192   3.47 0.143 0.778 0.268 0.730     247.280     310.000       6.986   28 
-    730000      146000.00      32.329     -22.543       9.786   3.01 0.286 0.600 0.168 0.170     293.309     310.000       7.194   28 
-    740000      148000.00      26.409     -13.525      12.884   6.56 0.286 0.692 0.234 0.208     239.596     310.000       6.689   28 
-    750000      150000.00      28.193      -4.794      23.399   4.02 0.000 1.000 0.227 0.407     255.783     310.000       8.012   28 
-    760000      152000.00      35.001     -17.455      17.547   6.78 0.286 0.636 0.207 0.441     317.551     310.000       7.715   28 
-    770000      154000.00      31.838     -20.055      11.783   3.76 0.286 0.667 0.269 0.264     288.847     310.000       6.536   28 
-    780000      156000.00      32.412     -14.516      17.896   3.63 0.214 0.625 0.216 0.971     294.060     310.000       7.229   28 
-    790000      158000.00      31.539     -29.673       1.866   3.52 0.286 0.714 0.295 0.989     286.134     310.000       6.394   28 
-    800000      160000.00      42.121     -21.785      20.336   2.66 0.357 0.545 0.198 0.896     382.144     310.000       7.282   28 
-    810000      162000.00      32.320     -24.705       7.615   3.18 0.286 0.692 0.255 1.137     293.220     300.000       6.703   28 
-    820000      164000.00      37.701     -28.171       9.530   3.99 0.500 0.500 0.351 0.573     342.047     300.000       6.161   28 
-    830000      166000.00      30.709     -29.517       1.192   4.14 0.286 0.667 0.341 0.667     278.612     300.000       6.498   28 
-    840000      168000.00      25.814     -25.402       0.412   3.33 0.286 0.733 0.327 0.589     234.194     300.000       6.677   28 
-    850000      170000.00      30.990      -7.389      23.601   6.16 0.214 0.571 0.169 1.185     281.154     300.000       8.444   28 
-    860000      172000.00      29.122     -33.081      -3.959   2.66 0.357 0.615 0.308 0.314     264.212     300.000       6.813   28 
-    870000      174000.00      24.927     -33.591      -8.664   2.88 0.429 0.571 0.256 0.248     226.151     300.000       7.060   28 
-    880000      176000.00      29.651     -26.846       2.804   3.21 0.214 0.667 0.172 0.255     269.006     300.000       7.245   28 
-    890000      178000.00      33.027     -23.277       9.750   2.75 0.214 0.250 0.159 0.348     299.635     300.000       7.324   28 
-    900000      180000.00      22.788     -12.577      10.210   3.66 0.214 0.727 0.190 0.383     206.741     300.000       7.699   28 
-    910000      182000.00      32.741     -23.799       8.942   3.67 0.214 0.786 0.292 0.560     297.042     300.000       6.548   28 
-    920000      184000.00      31.322     -18.391      12.931   4.16 0.143 0.750 0.205 0.527     284.173     300.000       7.061   28 
-    930000      186000.00      33.426     -28.206       5.220   3.56 0.143 0.882 0.364 0.363     303.262     300.000       6.171   28 
-    940000      188000.00      24.550     -28.788      -4.237   2.83 0.286 0.714 0.305 0.488     222.734     300.000       6.817   28 
-    950000      190000.00      32.889     -23.254       9.635   2.71 0.357 0.500 0.291 0.305     298.387     300.000       6.591   28 
-    960000      192000.00      35.353     -13.482      21.871   6.36 0.214 0.667 0.172 0.676     320.741     300.000       8.328   28 
-    970000      194000.00      37.457     -23.921      13.536   2.49 0.357 0.583 0.261 0.759     339.830     300.000       7.740   28 
-    980000      196000.00      27.634     -18.739       8.895   4.43 0.143 0.818 0.211 0.213     250.712     300.000       7.695   28 
-    990000      198000.00      37.462     -31.986       5.476   2.82 0.357 0.500 0.177 0.430     339.874     300.000       7.234   28 
-   1000000      200000.00      23.417     -32.696      -9.279   2.61 0.357 0.583 0.205 0.249     212.448     300.000       7.179   28