Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB020.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat
new file mode 100644 (file)
index 0000000..930080c
--- /dev/null
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB020.stat
@@ -0,0 +1,101 @@
+         0           0.00      25.628     115.074     140.702  12.87 0.000   NaN   NaN 4.850     232.511     300.000      15.552   20 
+     10000        2000.00      26.963     -21.258       5.705   3.78 0.286 0.636 0.264 0.216     244.624     300.000       7.122   20 
+     20000        4000.00      29.332     -18.177      11.155   7.20 0.214 0.625 0.199 0.239     266.117     300.000       8.827   20 
+     30000        6000.00      33.530     -31.231       2.299   2.82 0.286 0.714 0.273 0.313     304.204     300.000       6.982   20 
+     40000        8000.00      29.894     -21.846       8.048   3.38 0.429 0.400 0.268 0.384     271.216     300.000       6.956   20 
+     50000       10000.00      34.025     -14.177      19.848   4.29 0.286 0.500 0.165 0.304     308.693     300.000       8.321   20 
+     60000       12000.00      29.088      -9.863      19.225   5.04 0.357 0.688 0.364 0.798     263.905     300.000       7.107   20 
+     70000       14000.00      28.514     -19.519       8.995   6.10 0.143 0.818 0.227 0.484     258.692     300.000       7.797   20 
+     80000       16000.00      28.331     -25.722       2.608   4.38 0.214 0.769 0.325 0.544     257.029     300.000       7.145   20 
+     90000       18000.00      29.857     -19.559      10.298   6.21 0.286 0.636 0.190 0.687     270.880     300.000       8.564   20 
+    100000       20000.00      33.893     -19.628      14.265   4.35 0.214 0.769 0.322 0.248     307.495     300.000       7.562   20 
+    110000       22000.00      20.620     -13.536       7.084   4.48 0.286 0.667 0.311 0.724     187.073     300.000       7.041   20 
+    120000       24000.00      28.489     -13.638      14.851   4.89 0.286 0.200 0.164 0.230     258.467     300.000       8.572   20 
+    130000       26000.00      29.843     -24.963       4.880   2.84 0.357 0.500 0.186 0.389     270.753     300.000       7.254   20 
+    140000       28000.00      33.854     -32.098       1.756   2.08 0.429 0.333 0.207 0.176     307.140     300.000       6.918   20 
+    150000       30000.00      26.064     -16.739       9.325   6.46 0.286 0.333 0.152 0.703     236.463     300.000       9.588   20 
+    160000       32000.00      33.993     -30.955       3.038   3.46 0.429 0.538 0.217 0.274     308.401     300.000       7.123   20 
+    170000       34000.00      37.840     -19.274      18.566   7.25 0.286 0.600 0.150 0.369     343.305     300.000       9.712   20 
+    180000       36000.00      26.605     -28.175      -1.570   2.61 0.286 0.636 0.318 0.263     241.370     300.000       6.883   20 
+    190000       38000.00      23.013     -28.816      -5.804   3.09 0.214 0.727 0.227 0.322     208.781     300.000       6.840   20 
+    200000       40000.00      34.726     -26.197       8.529   3.17 0.071 0.909 0.285 0.353     315.052     300.000       6.783   20 
+    210000       42000.00      38.226     -23.787      14.440   4.75 0.214 0.667 0.172 0.670     346.810     300.000       8.331   20 
+    220000       44000.00      38.597     -22.927      15.670   5.06 0.214 0.667 0.172 0.489     350.175     300.000       7.523   20 
+    230000       46000.00      25.830     -17.621       8.210   6.42 0.214 0.667 0.172 0.209     234.346     300.000       8.854   20 
+    240000       48000.00      36.336     -21.224      15.112   2.86 0.071 0.875 0.273 0.649     329.658     300.000       7.370   20 
+    250000       50000.00      32.607     -35.461      -2.854   3.02 0.214 0.769 0.276 0.295     295.828     300.000       7.046   20 
+    260000       52000.00      28.614     -19.600       9.014   4.55 0.071 0.857 0.234 0.872     259.601     300.000       8.043   20 
+    270000       54000.00      45.467     -20.377      25.090   3.26 0.143 0.857 0.393 0.622     412.502     300.000       7.103   20 
+    280000       56000.00      23.234     -36.548     -13.314   2.62 0.143 0.846 0.339 0.955     210.794     300.000       6.640   20 
+    290000       58000.00      29.075     -19.344       9.731   3.30 0.143 0.800 0.345 0.383     263.785     300.000       6.733   20 
+    300000       60000.00      38.931      -9.335      29.596   4.85 0.071 0.875 0.386 0.844     353.205     300.000       7.632   20 
+    310000       62000.00      39.490       0.318      39.808   8.83 0.071 0.500 0.205 0.507     358.276     360.000      11.568   20 
+    320000       64000.00      30.584       6.108      36.692   6.53 0.143 0.667 0.356 0.681     277.472     360.000       7.444   20 
+    330000       66000.00      41.894      -0.361      41.533   5.82 0.214 0.250 0.182 0.777     380.087     360.000       9.157   20 
+    340000       68000.00      28.763      10.098      38.861   7.48 0.071 0.500 0.136 0.168     260.952     360.000      10.158   20 
+    350000       70000.00      39.252      27.378      66.630   7.03 0.071 0.750 0.148 0.935     356.117     360.000      11.627   20 
+    360000       72000.00      35.600       4.872      40.471   5.31 0.214 0.500 0.311 0.381     322.981     360.000       7.720   20 
+    370000       74000.00      51.721      11.454      63.175   4.18 0.071 0.857 0.273 1.245     469.241     360.000       7.213   20 
+    380000       76000.00      32.378       2.486      34.864   5.02 0.143 0.714 0.318 0.305     293.753     360.000       7.608   20 
+    390000       78000.00      34.306       2.342      36.648   6.92 0.000 1.000 0.242 0.251     311.241     360.000       9.456   20 
+    400000       80000.00      40.832       5.740      46.572   7.29 0.143 0.000 0.159 0.700     370.445     360.000      10.295   20 
+    410000       82000.00      38.971      11.915      50.886  11.27 0.000   NaN   NaN 0.752     353.564     390.000      14.554   20 
+    420000       84000.00      44.162      10.593      54.755   4.90 0.071 0.889 0.268 0.981     400.663     390.000       7.953   20 
+    430000       86000.00      47.297       9.233      56.529   5.22 0.000 1.000 0.250 0.747     429.098     390.000       9.418   20 
+    440000       88000.00      40.261      15.086      55.346   7.22 0.143 0.333 0.152 0.627     365.266     390.000      11.062   20 
+    450000       90000.00      48.694      12.711      61.405   6.36 0.071 0.750 0.227 0.584     441.773     390.000       9.361   20 
+    460000       92000.00      52.141       3.914      56.055   4.25 0.000 1.000 0.218 0.857     473.048     390.000       7.987   20 
+    470000       94000.00      32.726      16.030      48.757   6.12 0.000 1.000 0.398 0.702     296.910     390.000       8.454   20 
+    480000       96000.00      39.333      -1.683      37.650   7.73 0.071 0.750 0.193 0.171     356.849     390.000       9.095   20 
+    490000       98000.00      36.933       0.772      37.705   5.76 0.071 0.857 0.266 0.795     335.073     390.000       7.935   20 
+    500000      100000.00      45.468       1.484      46.952   7.70 0.071 0.750 0.205 0.428     412.511     390.000       9.628   20 
+    510000      102000.00      39.804       6.281      46.086   5.64 0.214 0.500 0.152 0.291     361.127     390.000       9.429   20 
+    520000      104000.00      35.369      15.281      50.650   4.82 0.071 0.857 0.266 0.462     320.890     390.000       8.128   20 
+    530000      106000.00      37.343      14.045      51.388   8.48 0.071 0.500 0.205 0.611     338.795     390.000      12.003   20 
+    540000      108000.00      41.265       7.079      48.344   6.07 0.071 0.800 0.227 0.481     374.376     390.000      10.146   20 
+    550000      110000.00      35.780       8.652      44.432  11.31 0.000   NaN   NaN 0.385     324.615     390.000      14.977   20 
+    560000      112000.00      37.423       8.992      46.416   6.78 0.071 0.833 0.197 0.643     339.523     390.000       8.660   20 
+    570000      114000.00      26.250      11.769      38.020   5.74 0.000 1.000 0.307 0.771     238.155     390.000       8.511   20 
+    580000      116000.00      39.996      16.695      56.691   5.47 0.071 0.833 0.265 0.634     362.865     390.000       8.623   20 
+    590000      118000.00      30.815       5.083      35.898   4.82 0.071 0.667 0.167 0.490     279.569     390.000       7.580   20 
+    600000      120000.00      33.578      14.174      47.753   4.64 0.000   NaN   NaN 0.445     304.641     390.000       9.978   20 
+    610000      122000.00      42.887      17.232      60.119   7.54 0.000 1.000 0.200 1.423     389.094     390.000      10.656   20 
+    620000      124000.00      39.598       7.549      47.146  10.74 0.071 0.000 0.136 0.478     359.251     390.000      14.918   20 
+    630000      126000.00      35.476       9.964      45.440   6.49 0.071 0.500 0.182 0.313     321.859     390.000      10.129   20 
+    640000      128000.00      33.710      15.390      49.100   6.15 0.000 1.000 0.364 0.482     305.834     390.000       9.417   20 
+    650000      130000.00      46.207       7.808      54.014   7.08 0.000 1.000 0.159 0.724     419.211     390.000      10.549   20 
+    660000      132000.00      36.051       3.928      39.980   6.02 0.071 0.750 0.318 1.298     327.077     390.000       7.737   20 
+    670000      134000.00      46.474       8.357      54.831   4.89 0.143 0.000 0.341 0.388     421.635     390.000       7.713   20 
+    680000      136000.00      37.214       2.236      39.450   7.00 0.071 0.900 0.250 0.882     337.628     390.000       7.330   20 
+    690000      138000.00      41.910       5.822      47.732   6.38 0.143 0.333 0.182 0.510     380.232     390.000       8.909   20 
+    700000      140000.00      35.694      14.041      49.735   5.35 0.000 1.000 0.273 0.670     323.837     390.000       8.553   20 
+    710000      142000.00      29.068      15.644      44.712   4.67 0.000 1.000 0.227 0.311     263.720     390.000       8.109   20 
+    720000      144000.00      34.952      18.819      53.772   4.53 0.071 0.750 0.250 0.183     317.107     390.000       9.162   20 
+    730000      146000.00      43.063      16.549      59.612   7.60 0.000 1.000 0.159 0.837     390.691     390.000      11.007   20 
+    740000      148000.00      40.127      19.225      59.352   5.90 0.000 1.000 0.182 0.911     364.048     390.000       8.429   20 
+    750000      150000.00      34.095       5.111      39.206   6.61 0.143 0.750 0.193 0.534     309.328     390.000       8.916   20 
+    760000      152000.00      32.496       6.236      38.732   6.09 0.071 0.000 0.136 0.532     294.819     390.000       9.816   20 
+    770000      154000.00      29.439      15.483      44.922   5.72 0.000 1.000 0.375 0.884     267.082     390.000      10.049   20 
+    780000      156000.00      32.006       5.567      37.572   3.96 0.071 0.833 0.492 0.698     290.371     390.000       8.157   20 
+    790000      158000.00      38.164       4.267      42.431   5.31 0.000 1.000 0.227 0.911     346.244     390.000       8.359   20 
+    800000      160000.00      34.898       5.294      40.191   5.67 0.071 0.750 0.273 1.128     316.609     390.000       8.387   20 
+    810000      162000.00      31.309      11.223      42.532   5.97 0.000 1.000 0.136 0.364     284.054     370.000      10.741   20 
+    820000      164000.00      42.545      23.429      65.974   9.02 0.071 0.500 0.182 0.521     385.987     370.000      11.821   20 
+    830000      166000.00      28.918       5.286      34.205   4.81 0.143 0.500 0.205 0.211     262.362     370.000       9.187   20 
+    840000      168000.00      37.480       6.493      43.973   4.22 0.286 0.556 0.263 1.061     340.034     370.000       7.868   20 
+    850000      170000.00      33.292       5.753      39.045   9.27 0.071 0.500 0.159 0.705     302.044     370.000      11.929   20 
+    860000      172000.00      36.483      10.873      47.356   6.61 0.071 0.833 0.220 0.661     330.995     370.000       8.064   20 
+    870000      174000.00      36.439      11.762      48.202   9.55 0.071 0.500 0.136 0.239     330.597     370.000      11.635   20 
+    880000      176000.00      43.862      14.859      58.721   7.43 0.143 0.600 0.173 0.268     397.937     370.000       9.978   20 
+    890000      178000.00      28.281      16.631      44.913   5.16 0.000 1.000 0.621 0.885     256.582     370.000       8.821   20 
+    900000      180000.00      38.114      21.044      59.158   8.46 0.071 0.667 0.288 0.483     345.793     370.000      11.070   20 
+    910000      182000.00      35.108      -4.331      30.777   6.52 0.071 0.909 0.384 0.796     318.521     360.000       6.982   20 
+    920000      184000.00      44.450      10.447      54.897   6.48 0.071 0.500 0.136 0.833     403.278     360.000       8.643   20 
+    930000      186000.00      43.460       0.549      44.009   4.79 0.000 1.000 0.209 0.692     394.291     360.000       8.320   20 
+    940000      188000.00      38.548       2.669      41.217   6.38 0.071 0.833 0.258 0.979     349.724     360.000       8.935   20 
+    950000      190000.00      30.804      12.965      43.769   6.95 0.071 0.750 0.205 0.428     279.467     360.000       9.233   20 
+    960000      192000.00      40.091       3.641      43.732   5.56 0.000 1.000 0.182 0.299     363.730     360.000       8.400   20 
+    970000      194000.00      37.734      27.122      64.856   6.43 0.000 1.000 0.205 0.648     342.340     360.000       9.132   20 
+    980000      196000.00      35.355       6.139      41.495   5.23 0.000 1.000 0.465 0.350     320.762     360.000       7.406   20 
+    990000      198000.00      35.064      13.240      48.304   7.09 0.071 0.833 0.205 0.990     318.120     360.000       9.526   20 
+   1000000      200000.00      40.068       7.760      47.827   5.85 0.000   NaN   NaN 0.167     363.516     360.000       9.306   20