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

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB033.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB033.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB033.stat
deleted file mode 100644 (file)
index 22b9ab0..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB033.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      30.730     114.043     144.773  12.87 0.000   NaN   NaN 4.850     278.797     330.000      15.552   33 
-     10000        2000.00      36.841     -14.554      22.288   6.09 0.071 0.875 0.307 0.794     334.244     330.000       7.236   33 
-     20000        4000.00      31.926     -13.310      18.615   3.16 0.143 0.778 0.354 0.872     289.646     330.000       7.164   33 
-     30000        6000.00      28.194      -9.061      19.133   5.18 0.143 0.750 0.273 0.196     255.786     330.000       7.369   33 
-     40000        8000.00      38.309      -7.904      30.405   3.03 0.429 0.538 0.294 0.244     347.563     330.000       6.928   33 
-     50000       10000.00      34.484     -12.704      21.780   4.35 0.071 0.857 0.318 1.056     312.857     330.000       7.408   33 
-     60000       12000.00      41.611     -11.394      30.217   4.08 0.286 0.556 0.283 0.646     377.521     330.000       6.816   33 
-     70000       14000.00      36.389     -13.398      22.991   4.62 0.286 0.667 0.295 0.532     330.142     330.000       7.615   33 
-     80000       16000.00      36.902      -9.784      27.118   6.34 0.071 0.800 0.164 0.431     334.794     330.000       8.909   33 
-     90000       18000.00      37.146      -7.240      29.907   6.76 0.143 0.667 0.159 0.797     337.010     330.000       9.748   33 
-    100000       20000.00      30.821     -11.899      18.923   4.24 0.214 0.625 0.227 0.539     279.628     330.000       6.890   33 
-    110000       22000.00      30.774     -24.620       6.154   2.81 0.429 0.538 0.364 0.549     279.197     310.000       6.554   33 
-    120000       24000.00      30.161     -19.313      10.847   3.51 0.214 0.727 0.322 0.344     273.635     310.000       6.805   33 
-    130000       26000.00      32.280      -9.481      22.799   4.16 0.143 0.778 0.212 0.703     292.859     310.000       7.700   33 
-    140000       28000.00      36.437     -25.224      11.213   3.28 0.214 0.727 0.467 0.440     330.580     310.000       6.696   33 
-    150000       30000.00      34.817     -18.842      15.975   4.17 0.071 0.917 0.458 0.462     315.876     310.000       6.682   33 
-    160000       32000.00      31.339     -19.351      11.989   7.07 0.214 0.750 0.250 0.602     284.328     310.000       7.212   33 
-    170000       34000.00      33.126      -5.819      27.307   4.48 0.214 0.667 0.217 0.410     300.537     310.000       7.386   33 
-    180000       36000.00      39.634     -34.083       5.552   3.88 0.071 0.917 0.322 0.301     359.584     310.000       6.391   33 
-    190000       38000.00      35.368     -21.222      14.146   7.04 0.071 0.889 0.177 0.794     320.879     310.000       8.636   33 
-    200000       40000.00      32.185      -7.773      24.412   4.80 0.071 0.917 0.341 0.370     291.998     310.000       7.345   33 
-    210000       42000.00      32.149      -9.844      22.305   6.83 0.000 1.000 0.182 0.720     291.673     330.000       9.806   33 
-    220000       44000.00      27.979     -11.125      16.854   4.10 0.286 0.500 0.290 0.421     253.837     330.000       7.280   33 
-    230000       46000.00      31.832      10.135      41.967   7.33 0.071 0.500 0.273 0.687     288.800     330.000       9.586   33 
-    240000       48000.00      37.208      -7.596      29.612   5.59 0.286 0.636 0.223 0.429     337.570     330.000       7.412   33 
-    250000       50000.00      36.732     -10.280      26.452   6.69 0.214 0.500 0.364 0.465     333.256     330.000       7.130   33 
-    260000       52000.00      33.773     -17.421      16.351   4.06 0.000 1.000 0.240 0.746     306.402     330.000       7.394   33 
-    270000       54000.00      43.276     -15.173      28.102   3.85 0.286 0.600 0.245 0.454     392.619     330.000       7.011   33 
-    280000       56000.00      33.689     -11.509      22.179   3.89 0.143 0.800 0.186 0.734     305.642     330.000       8.375   33 
-    290000       58000.00      26.951      -9.642      17.309   3.64 0.143 0.800 0.364 0.273     244.516     330.000       7.572   33 
-    300000       60000.00      35.909     -14.716      21.193   4.12 0.143 0.800 0.241 0.605     325.788     330.000       7.495   33 
-    310000       62000.00      34.564     -16.629      17.936   6.25 0.071 0.857 0.195 0.423     313.585     310.000       7.941   33 
-    320000       64000.00      33.242     -16.665      16.577   4.19 0.286 0.636 0.318 0.251     301.588     310.000       7.020   33 
-    330000       66000.00      33.843     -26.347       7.496   3.07 0.357 0.737 0.335 0.629     307.039     310.000       6.548   33 
-    340000       68000.00      34.969     -16.843      18.126   2.62 0.214 0.800 0.242 0.371     317.255     310.000       6.985   33 
-    350000       70000.00      32.495     -12.620      19.875   5.52 0.071 0.909 0.236 0.509     294.816     310.000       7.748   33 
-    360000       72000.00      32.778     -20.867      11.910   3.26 0.214 0.769 0.350 0.830     297.375     310.000       6.728   33 
-    370000       74000.00      40.679     -23.471      17.208   3.77 0.357 0.615 0.189 0.886     369.062     310.000       7.337   33 
-    380000       76000.00      24.324     -14.179      10.145   3.80 0.143 0.667 0.159 1.453     220.677     310.000       8.692   33 
-    390000       78000.00      29.088      -7.793      21.295   6.67 0.143 0.750 0.182 1.257     263.901     310.000       8.348   33 
-    400000       80000.00      35.746     -16.517      19.229   6.53 0.214 0.571 0.273 1.179     324.306     310.000       7.081   33 
-    410000       82000.00      26.344     -21.333       5.011   6.03 0.214 0.667 0.202 0.461     239.009     300.000       8.081   33 
-    420000       84000.00      26.039     -14.444      11.594   5.58 0.214 0.625 0.352 0.415     236.237     300.000       7.472   33 
-    430000       86000.00      29.683     -23.264       6.419   5.34 0.214 0.727 0.227 0.427     269.297     300.000       7.537   33 
-    440000       88000.00      30.152     -17.557      12.596   7.67 0.214 0.571 0.188 0.275     273.558     300.000       9.777   33 
-    450000       90000.00      31.840     -32.049      -0.209   4.10 0.214 0.700 0.268 0.421     288.871     300.000       6.714   33 
-    460000       92000.00      28.708     -20.556       8.151   4.41 0.143 0.833 0.360 0.300     260.451     300.000       6.970   33 
-    470000       94000.00      28.412     -24.729       3.684   5.55 0.286 0.636 0.161 1.126     257.771     300.000       8.864   33 
-    480000       96000.00      40.522     -20.013      20.510   5.90 0.286 0.556 0.187 0.536     367.639     300.000       8.055   33 
-    490000       98000.00      27.701     -17.207      10.494   4.42 0.143 0.800 0.232 0.552     251.318     300.000       7.406   33 
-    500000      100000.00      40.276     -31.168       9.108   3.75 0.214 0.800 0.321 0.398     365.403     300.000       7.015   33 
-    510000      102000.00      31.281     -20.996      10.285   4.57 0.143 0.833 0.337 0.305     283.800     310.000       6.885   33 
-    520000      104000.00      31.739      -7.016      24.723   4.40 0.143 0.818 0.277 0.897     287.949     310.000       7.476   33 
-    530000      106000.00      23.896     -21.799       2.097   4.58 0.143 0.778 0.333 0.550     216.796     310.000       6.999   33 
-    540000      108000.00      30.734     -13.541      17.193   4.78 0.286 0.667 0.242 0.491     278.838     310.000       7.300   33 
-    550000      110000.00      24.978     -20.184       4.794   6.95 0.286 0.667 0.273 0.396     226.614     310.000       7.394   33 
-    560000      112000.00      36.086     -26.391       9.695   3.34 0.286 0.600 0.227 0.408     327.387     310.000       7.130   33 
-    570000      114000.00      29.430     -24.233       5.196   3.38 0.214 0.786 0.231 0.720     267.001     310.000       7.360   33 
-    580000      116000.00      27.404     -18.919       8.485   3.60 0.143 0.800 0.314 0.360     248.622     310.000       6.621   33 
-    590000      118000.00      29.898     -19.590      10.309   4.71 0.071 0.900 0.241 0.349     271.252     310.000       7.624   33 
-    600000      120000.00      28.780     -14.871      13.909   5.47 0.214 0.667 0.348 0.547     261.104     310.000       7.187   33 
-    610000      122000.00      34.025      -6.954      27.071   5.95 0.357 0.500 0.209 0.837     308.694     340.000       7.122   33 
-    620000      124000.00      38.337       1.416      39.753   4.99 0.143 0.750 0.233 1.370     347.809     340.000       8.052   33 
-    630000      126000.00      30.756       1.183      31.940   4.87 0.286 0.429 0.377 0.527     279.038     340.000       7.545   33 
-    640000      128000.00      28.882       1.077      29.959   3.94 0.071 0.900 0.391 0.607     262.028     340.000       6.625   33 
-    650000      130000.00      29.577     -13.338      16.239   3.98 0.214 0.700 0.214 0.270     268.339     340.000       6.936   33 
-    660000      132000.00      26.352      -9.832      16.520   3.32 0.286 0.556 0.293 0.657     239.082     340.000       7.407   33 
-    670000      134000.00      36.938      -7.373      29.565   3.75 0.214 0.667 0.232 1.190     335.122     340.000       7.904   33 
-    680000      136000.00      40.387      -3.598      36.789   6.43 0.143 0.714 0.214 0.384     366.414     340.000       9.300   33 
-    690000      138000.00      37.532       2.170      39.702   4.89 0.143 0.833 0.288 0.484     340.513     340.000       7.501   33 
-    700000      140000.00      33.682       3.218      36.900   8.06 0.071 0.750 0.159 0.649     305.583     340.000      10.689   33 
-    710000      142000.00      32.558       7.852      40.409   5.70 0.071 0.889 0.409 0.717     295.382     350.000       8.077   33 
-    720000      144000.00      28.623       2.452      31.075   7.08 0.143 0.600 0.191 0.417     259.680     350.000      10.809   33 
-    730000      146000.00      35.062       3.326      38.389   3.74 0.286 0.600 0.295 0.541     318.105     350.000       7.451   33 
-    740000      148000.00      34.638       7.007      41.645   4.55 0.000 1.000 0.420 0.327     314.252     350.000       8.180   33 
-    750000      150000.00      30.965       2.450      33.415   4.83 0.143 0.778 0.318 0.372     280.934     350.000       6.986   33 
-    760000      152000.00      31.983       1.661      33.644   4.65 0.071 0.800 0.382 0.845     290.163     350.000       9.258   33 
-    770000      154000.00      45.831       0.585      46.415   5.91 0.143 0.833 0.235 0.367     415.798     350.000       8.709   33 
-    780000      156000.00      41.213       9.426      50.639   6.97 0.000 1.000 0.182 0.464     373.905     350.000      10.897   33 
-    790000      158000.00      51.439     -12.237      39.202   4.16 0.143 0.778 0.500 0.648     466.686     350.000       6.915   33 
-    800000      160000.00      32.938      14.550      47.488   5.99 0.000 1.000 0.182 0.640     298.833     350.000       7.938   33 
-    810000      162000.00      42.555       0.697      43.253   7.12 0.214 0.700 0.241 1.137     386.084     400.000       7.659   33 
-    820000      164000.00      42.221      20.036      62.257   8.03 0.000   NaN   NaN 0.248     383.052     400.000      11.035   33 
-    830000      166000.00      45.815      14.969      60.783   6.10 0.143 0.333 0.333 0.281     415.653     400.000       8.889   33 
-    840000      168000.00      33.329      22.396      55.726   8.04 0.143 0.333 0.152 0.230     302.379     400.000      11.375   33 
-    850000      170000.00      41.188       8.867      50.054   8.60 0.000 1.000 0.182 0.348     373.675     400.000      11.256   33 
-    860000      172000.00      34.056      21.823      55.880   5.46 0.000   NaN   NaN 0.358     308.977     400.000       9.242   33 
-    870000      174000.00      47.315      15.015      62.330   4.24 0.071 0.750 0.614 0.755     429.265     400.000       8.086   33 
-    880000      176000.00      52.706      15.264      67.970   5.56 0.000 1.000 0.398 0.352     478.177     400.000       8.051   33 
-    890000      178000.00      35.410      14.916      50.326   5.60 0.143 0.667 0.288 0.651     321.258     400.000       7.813   33 
-    900000      180000.00      39.863      -2.605      37.258   6.79 0.000 1.000 0.318 0.730     361.657     400.000       9.626   33 
-    910000      182000.00      37.862       7.282      45.145   7.50 0.000 1.000 0.170 0.342     343.506     400.000       9.588   33 
-    920000      184000.00      34.077      17.858      51.935   6.14 0.071 0.833 0.409 1.148     309.165     400.000       7.590   33 
-    930000      186000.00      40.716      15.994      56.711   6.13 0.071 0.667 0.212 0.588     369.399     400.000       9.541   33 
-    940000      188000.00      34.709       8.938      43.647   4.86 0.000 1.000 0.682 0.735     314.897     400.000       9.284   33 
-    950000      190000.00      35.670      21.477      57.147   8.06 0.143 0.000 0.159 0.601     323.620     400.000      11.329   33 
-    960000      192000.00      36.430      14.817      51.247   8.22 0.071 0.500 0.182 0.292     330.509     400.000      11.961   33 
-    970000      194000.00      31.026      22.909      53.935   4.48 0.143 0.667 0.462 0.708     281.482     400.000       8.265   33 
-    980000      196000.00      36.287       9.404      45.692   5.09 0.000 1.000 0.258 0.286     329.218     400.000       7.427   33 
-    990000      198000.00      39.765      10.910      50.675   4.35 0.214 0.571 0.448 0.544     360.771     400.000       7.076   33 
-   1000000      200000.00      42.671      13.525      56.195   7.65 0.000 1.000 0.318 0.925     387.129     400.000       9.884   33