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

[unres.git] / examples / unres / new / MREMD / ff_gab / 1L2Y_MREMD_GB047.stat

diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB047.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB047.stat
deleted file mode 100644 (file)
index 3396ef0..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB047.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      36.923      20.954      57.877  12.87 0.000   NaN   NaN 0.932     334.986     360.000      15.552   47 
-     10000        2000.00      35.547     -18.409      17.138   4.18 0.214 0.625 0.341 1.940     322.504     360.000       7.915   47 
-     20000        4000.00      36.243       4.984      41.227   5.15 0.000   NaN   NaN 1.903     328.812     360.000       8.360   47 
-     30000        6000.00      29.375      -7.455      21.920   9.09 0.000 1.000 0.136 1.104     266.508     360.000      12.579   47 
-     40000        8000.00      43.518      -1.256      42.262   5.17 0.214 0.000 0.167 2.790     394.816     360.000       9.557   47 
-     50000       10000.00      33.802      -6.056      27.746  11.11 0.000 1.000 0.182 0.590     306.667     360.000      14.513   47 
-     60000       12000.00      39.297     -12.118      27.179   5.40 0.071 0.800 0.373 1.489     356.526     360.000       8.547   47 
-     70000       14000.00      44.266      -0.077      44.189  10.00 0.000   NaN   NaN 2.185     401.604     360.000      13.535   47 
-     80000       16000.00      41.045     -19.131      21.914   5.04 0.000 1.000 0.182 1.472     372.378     360.000       7.954   47 
-     90000       18000.00      30.172      -9.836      20.336   7.07 0.143 0.000 0.136 2.149     273.738     360.000       9.205   47 
-    100000       20000.00      32.687     -21.000      11.687   5.05 0.071 0.800 0.618 2.154     296.553     360.000       8.879   47 
-    110000       22000.00      33.594     -24.298       9.296   7.53 0.143 0.600 0.273 3.217     304.783     350.000       8.332   47 
-    120000       24000.00      24.464     -16.025       8.439   6.00 0.143 0.714 0.383 1.370     221.949     350.000       8.080   47 
-    130000       26000.00      40.865      -6.443      34.422   5.85 0.071 0.667 0.152 1.334     370.746     350.000       9.631   47 
-    140000       28000.00      32.164     -11.882      20.282   5.05 0.143 0.667 0.341 1.367     291.807     350.000       8.671   47 
-    150000       30000.00      37.357     -12.904      24.452   4.81 0.071 0.800 0.464 2.369     338.919     350.000       8.298   47 
-    160000       32000.00      36.707     -15.062      21.645   4.97 0.143 0.000 0.341 2.024     333.027     350.000       9.486   47 
-    170000       34000.00      34.696     -19.414      15.282   5.18 0.071 0.000 0.182 1.686     314.781     350.000       8.642   47 
-    180000       36000.00      30.566     -20.863       9.703   2.79 0.357 0.375 0.324 1.456     277.314     350.000       6.821   47 
-    190000       38000.00      34.885      -3.944      30.941   5.90 0.000 1.000 0.432 2.879     316.496     350.000       8.281   47 
-    200000       40000.00      37.801     -15.057      22.744   5.46 0.071 0.857 0.312 2.187     342.952     350.000       7.446   47 
-    210000       42000.00      29.702     -13.800      15.902   5.38 0.143 0.500 0.227 1.860     269.472     350.000       8.839   47 
-    220000       44000.00      40.197     -10.750      29.447   6.42 0.071 0.750 0.250 1.001     364.686     350.000       8.449   47 
-    230000       46000.00      36.117       5.725      41.842   6.09 0.214 0.250 0.159 1.316     327.670     350.000      10.783   47 
-    240000       48000.00      32.304     -17.143      15.161   6.73 0.000 1.000 0.159 2.412     293.077     350.000      10.118   47 
-    250000       50000.00      29.294     -10.087      19.207   4.58 0.071 0.875 0.409 1.176     265.771     350.000       7.262   47 
-    260000       52000.00      31.983     -14.293      17.689   4.98 0.071 0.750 0.216 1.162     290.163     350.000       9.182   47 
-    270000       54000.00      30.160     -20.558       9.602   6.88 0.071 0.889 0.480 1.891     273.632     350.000       7.881   47 
-    280000       56000.00      49.916      -3.904      46.012   5.07 0.000 1.000 0.439 1.999     452.865     350.000       9.207   47 
-    290000       58000.00      35.936      -7.673      28.263   5.59 0.071 0.500 0.159 1.590     326.032     350.000       9.272   47 
-    300000       60000.00      39.760     -17.961      21.800   5.72 0.071 0.500 0.727 1.761     360.724     350.000       8.980   47 
-    310000       62000.00      25.855     -15.138      10.717   5.17 0.000 1.000 0.515 1.284     234.570     340.000       8.976   47 
-    320000       64000.00      27.564     -21.688       5.876   5.52 0.071 0.750 0.182 1.309     250.077     340.000       8.312   47 
-    330000       66000.00      33.467      -4.781      28.686   5.07 0.143 0.333 0.273 2.388     303.632     340.000       9.252   47 
-    340000       68000.00      36.766      -2.159      34.607   8.35 0.000 1.000 0.182 2.879     333.560     340.000      11.282   47 
-    350000       70000.00      37.792     -13.649      24.143   4.56 0.071 0.900 0.400 1.876     342.865     340.000       7.044   47 
-    360000       72000.00      31.352     -18.758      12.593   4.95 0.143 0.600 0.527 3.213     284.440     340.000       8.658   47 
-    370000       74000.00      40.542     -20.370      20.172   5.32 0.214 0.667 0.480 2.394     367.817     340.000       7.586   47 
-    380000       76000.00      33.338     -10.718      22.620   9.47 0.071 0.750 0.205 2.321     302.457     340.000      12.557   47 
-    390000       78000.00      34.958     -16.967      17.990   4.01 0.357 0.375 0.318 1.068     317.153     340.000       7.075   47 
-    400000       80000.00      34.369       4.109      38.478   6.06 0.071 0.000 0.136 2.384     311.810     340.000      10.738   47 
-    410000       82000.00      35.881     -19.443      16.438   5.46 0.214 0.400 0.518 2.313     325.526     340.000       9.652   47 
-    420000       84000.00      32.935     -20.489      12.446   7.19 0.143 0.333 0.182 1.216     298.804     340.000      10.968   47 
-    430000       86000.00      31.809     -11.237      20.572   5.91 0.000 1.000 0.591 3.159     288.583     340.000       9.635   47 
-    440000       88000.00      34.304     -10.732      23.572   5.52 0.071 0.667 0.212 2.286     311.224     340.000       8.585   47 
-    450000       90000.00      34.974     -19.371      15.603   5.30 0.143 0.750 0.335 0.876     317.302     340.000       7.827   47 
-    460000       92000.00      31.056     -16.487      14.569   5.70 0.000 1.000 0.364 1.459     281.758     340.000       8.824   47 
-    470000       94000.00      38.820     -17.881      20.938   5.27 0.000 1.000 0.500 0.938     352.191     340.000       9.466   47 
-    480000       96000.00      34.597     -19.966      14.631   7.78 0.071 0.800 0.227 2.016     313.881     340.000       9.786   47 
-    490000       98000.00      34.210     -17.327      16.883   4.26 0.143 0.714 0.286 2.007     310.370     340.000       7.264   47 
-    500000      100000.00      32.572      -8.103      24.469   6.47 0.143 0.667 0.258 3.033     295.511     340.000       9.783   47 
-    510000      102000.00      37.903       4.232      42.135   6.63 0.000 1.000 0.227 2.524     343.874     400.000      11.145   47 
-    520000      104000.00      31.225      -7.936      23.289   6.00 0.143 0.667 0.341 1.665     283.291     400.000       8.222   47 
-    530000      106000.00      32.861      -0.449      32.412   6.93 0.000   NaN   NaN 2.934     298.128     400.000       8.507   47 
-    540000      108000.00      40.212     -16.602      23.609   5.68 0.071 0.909 0.430 1.431     364.820     400.000       6.798   47 
-    550000      110000.00      40.877      -0.001      40.875   5.70 0.000 1.000 0.264 1.500     370.854     400.000       7.875   47 
-    560000      112000.00      39.011      -6.516      32.496   5.48 0.000 1.000 0.568 2.663     353.932     400.000       8.365   47 
-    570000      114000.00      32.956     -12.690      20.266   5.05 0.000 1.000 0.318 1.470     298.996     400.000       9.096   47 
-    580000      116000.00      41.804      -8.702      33.103   5.17 0.071 0.667 0.591 1.807     379.270     400.000       8.757   47 
-    590000      118000.00      36.386       0.671      37.057   8.75 0.071 0.750 0.273 1.609     330.116     400.000      10.359   47 
-    600000      120000.00      42.487       2.115      44.602   6.18 0.071 0.750 0.455 1.347     385.467     400.000       8.288   47 
-    610000      122000.00      33.454      -2.386      31.069   6.43 0.071 0.500 0.136 1.305     303.514     400.000      11.216   47 
-    620000      124000.00      40.426       5.108      45.534   6.98 0.000 1.000 0.242 2.020     366.766     400.000       8.995   47 
-    630000      126000.00      36.733      -2.550      34.183   6.17 0.000   NaN   NaN 2.405     333.258     400.000       8.858   47 
-    640000      128000.00      36.518       4.210      40.729   8.61 0.071 0.500 0.136 2.831     331.312     400.000      12.120   47 
-    650000      130000.00      35.344       6.476      41.820   9.73 0.000 1.000 0.182 1.512     320.662     400.000      13.177   47 
-    660000      132000.00      41.226      -3.879      37.347  10.36 0.000 1.000 0.136 1.585     374.023     400.000      13.833   47 
-    670000      134000.00      42.538     -10.458      32.080   4.72 0.071 0.500 0.136 2.516     385.926     400.000       8.481   47 
-    680000      136000.00      36.967      -0.682      36.285   4.42 0.000 1.000 0.136 2.096     335.388     400.000       9.224   47 
-    690000      138000.00      41.184     -17.012      24.171  11.71 0.071 0.500 0.182 1.656     373.638     400.000      14.551   47 
-    700000      140000.00      37.619       2.024      39.643   9.85 0.000   NaN   NaN 2.370     341.296     400.000      13.577   47 
-    710000      142000.00      53.136       1.762      54.898   7.56 0.000   NaN   NaN 2.575     482.078     400.000      10.438   47 
-    720000      144000.00      33.167       3.042      36.209   4.54 0.000 1.000 0.409 2.444     300.907     400.000       8.793   47 
-    730000      146000.00      40.693      -7.440      33.253   6.00 0.071 0.800 0.255 2.679     369.187     400.000       8.548   47 
-    740000      148000.00      40.980      -2.450      38.530   8.31 0.143 0.500 0.159 1.934     371.790     400.000      10.927   47 
-    750000      150000.00      43.850       6.397      50.246   8.38 0.071 0.000 0.182 1.652     397.826     400.000      10.751   47 
-    760000      152000.00      37.251      -8.823      28.428   6.47 0.071 0.750 0.398 1.464     337.962     400.000       7.861   47 
-    770000      154000.00      33.111      -3.491      29.620   5.45 0.286 0.200 0.245 1.053     300.404     400.000       8.253   47 
-    780000      156000.00      36.186      -6.076      30.110  10.84 0.000 1.000 0.136 3.486     328.299     400.000      15.181   47 
-    790000      158000.00      41.383     -10.286      31.097   5.80 0.071 0.800 0.309 3.152     375.450     400.000       8.225   47 
-    800000      160000.00      33.564      -1.742      31.822   5.21 0.000 1.000 0.136 2.904     304.508     400.000       9.574   47 
-    810000      162000.00      46.742       9.356      56.098   9.23 0.000 1.000 0.227 1.442     424.068     390.000      12.089   47 
-    820000      164000.00      41.310     -14.196      27.114   4.37 0.000 1.000 0.250 2.098     374.784     390.000       8.026   47 
-    830000      166000.00      45.307     -21.510      23.797   5.92 0.143 0.778 0.348 1.241     411.047     390.000       7.679   47 
-    840000      168000.00      42.569      -0.241      42.328   5.27 0.071 0.500 0.386 0.367     386.210     390.000       8.670   47 
-    850000      170000.00      45.396     -11.284      34.112   5.66 0.071 0.833 0.280 1.562     411.853     390.000       7.714   47 
-    860000      172000.00      33.959       4.532      38.491   6.30 0.000   NaN   NaN 1.744     308.092     390.000      10.525   47 
-    870000      174000.00      45.065      -5.594      39.471   5.41 0.071 0.750 0.318 1.736     408.857     390.000       8.137   47 
-    880000      176000.00      43.593      -2.924      40.670   5.38 0.214 0.571 0.429 1.713     395.500     390.000       8.036   47 
-    890000      178000.00      38.311      -3.960      34.351   5.64 0.000 1.000 0.159 2.308     347.581     390.000       9.723   47 
-    900000      180000.00      39.478      -1.748      37.730   5.41 0.000 1.000 0.420 1.966     358.163     390.000       8.416   47 
-    910000      182000.00      38.164     -10.955      27.209   8.19 0.071 0.500 0.136 1.646     346.246     380.000      12.030   47 
-    920000      184000.00      44.869      -7.914      36.955   5.26 0.000 1.000 0.409 2.138     407.071     380.000       9.038   47 
-    930000      186000.00      44.355      -5.534      38.820   5.32 0.000 1.000 0.530 1.261     402.410     380.000       8.532   47 
-    940000      188000.00      38.584      10.524      49.108   9.27 0.000   NaN   NaN 1.614     350.058     380.000      12.724   47 
-    950000      190000.00      42.872      -8.053      34.820   4.80 0.071 0.667 0.197 1.301     388.961     380.000       9.105   47 
-    960000      192000.00      40.979      -5.267      35.712   9.59 0.000   NaN   NaN 1.902     371.787     380.000      13.353   47 
-    970000      194000.00      33.398      -0.839      32.559  10.06 0.071 0.000 0.136 1.444     303.005     380.000      12.425   47 
-    980000      196000.00      43.765      -4.375      39.389   7.02 0.000 1.000 0.159 1.631     397.056     380.000      10.139   47 
-    990000      198000.00      34.494       6.475      40.970   8.89 0.143 0.333 0.197 1.424     312.949     380.000      12.063   47 
-   1000000      200000.00      38.866     -19.588      19.278   3.80 0.214 0.250 0.159 0.850     352.616     380.000       8.786   47