Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB046.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB046.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB046.stat
new file mode 100644 (file)
index 0000000..a822138
--- /dev/null
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB046.stat
@@ -0,0 +1,101 @@
+         0           0.00      29.208     113.174     142.383  12.87 0.000   NaN   NaN 4.850     264.991     360.000      15.552   46 
+     10000        2000.00      43.758       6.701      50.459   4.57 0.214 0.400 0.236 0.427     396.994     360.000       7.818   46 
+     20000        4000.00      43.697       6.349      50.046   4.30 0.143 0.333 0.197 0.569     396.438     360.000       8.630   46 
+     30000        6000.00      34.045       4.844      38.888   6.01 0.143 0.500 0.193 0.139     308.871     360.000       9.480   46 
+     40000        8000.00      47.269      11.074      58.343   4.41 0.071 0.750 0.398 0.376     428.849     360.000       8.080   46 
+     50000       10000.00      35.758       7.529      43.287   5.26 0.143 0.667 0.235 0.319     324.417     360.000       7.644   46 
+     60000       12000.00      32.769       6.914      39.682   6.23 0.000   NaN   NaN 0.799     297.294     360.000      11.068   46 
+     70000       14000.00      30.609       3.063      33.672   4.75 0.071 0.800 0.509 0.244     277.698     360.000       7.751   46 
+     80000       16000.00      36.629       2.063      38.692   6.73 0.214 0.250 0.170 0.978     332.315     360.000       9.786   46 
+     90000       18000.00      29.553      10.784      40.337   7.36 0.000 1.000 0.258 0.639     268.120     360.000       8.700   46 
+    100000       20000.00      41.131      14.336      55.467   6.67 0.071 0.750 0.170 0.533     373.160     360.000       9.447   46 
+    110000       22000.00      40.465       0.454      40.919   6.49 0.000 1.000 0.152 0.342     367.118     400.000      10.001   46 
+    120000       24000.00      58.644      12.320      70.964   6.37 0.286 0.429 0.195 1.289     532.052     400.000       9.191   46 
+    130000       26000.00      46.568      17.129      63.696   8.88 0.071 0.750 0.182 0.697     422.486     400.000      11.197   46 
+    140000       28000.00      37.185       4.573      41.758   8.21 0.071 0.500 0.205 0.533     337.360     400.000      10.338   46 
+    150000       30000.00      44.012      21.093      65.105   6.34 0.071 0.500 0.182 0.917     399.299     400.000       9.628   46 
+    160000       32000.00      38.477      16.608      55.085   6.56 0.000 1.000 0.300 0.228     349.085     400.000       8.883   46 
+    170000       34000.00      36.968      13.850      50.819  10.46 0.000   NaN   NaN 0.938     335.397     400.000      13.079   46 
+    180000       36000.00      43.963       5.164      49.127   5.41 0.000 1.000 0.227 0.277     398.857     400.000       8.758   46 
+    190000       38000.00      31.217      20.574      51.791   7.04 0.000 1.000 0.159 0.347     283.213     400.000      10.541   46 
+    200000       40000.00      44.948      17.326      62.273   6.16 0.000 1.000 0.305 0.310     407.788     400.000       7.975   46 
+    210000       42000.00      48.953      17.041      65.994   5.04 0.071 0.750 0.261 0.699     444.125     400.000       9.134   46 
+    220000       44000.00      46.567      17.288      63.855   9.71 0.000 1.000 0.136 0.620     422.484     400.000      13.956   46 
+    230000       46000.00      37.685      12.151      49.835   6.33 0.071 0.800 0.345 0.511     341.895     400.000       7.668   46 
+    240000       48000.00      50.040      10.231      60.271   7.19 0.143 0.750 0.210 0.477     453.991     400.000       7.828   46 
+    250000       50000.00      42.641      22.760      65.401   7.16 0.000 1.000 0.159 0.357     386.864     400.000      11.700   46 
+    260000       52000.00      35.236      20.322      55.557   7.75 0.071 0.750 0.216 0.655     319.676     400.000      11.369   46 
+    270000       54000.00      47.448      18.868      66.315   5.24 0.214 0.571 0.182 0.472     430.471     400.000       9.030   46 
+    280000       56000.00      40.524      10.789      51.314   8.70 0.071 0.500 0.250 0.570     367.658     400.000      11.747   46 
+    290000       58000.00      42.031       4.774      46.805   5.32 0.143 0.818 0.413 0.736     381.330     400.000       7.399   46 
+    300000       60000.00      34.398       7.579      41.977   5.78 0.000 1.000 0.295 0.465     312.075     400.000       9.144   46 
+    310000       62000.00      42.344      16.889      59.233   8.52 0.071 0.000 0.136 0.390     384.165     380.000      12.376   46 
+    320000       64000.00      60.530       4.972      65.502   6.89 0.143 0.500 0.182 0.335     549.156     380.000       9.974   46 
+    330000       66000.00      34.793      17.281      52.074   6.01 0.143 0.333 0.258 0.576     315.656     380.000       9.186   46 
+    340000       68000.00      46.890       0.995      47.885   3.79 0.286 0.200 0.164 0.393     425.408     380.000       7.998   46 
+    350000       70000.00      38.207       5.243      43.450   6.26 0.071 0.857 0.474 0.540     346.632     380.000       7.357   46 
+    360000       72000.00      37.786      13.380      51.166   6.03 0.000 1.000 0.136 0.410     342.810     380.000       9.794   46 
+    370000       74000.00      44.069      10.387      54.456   8.18 0.143 0.667 0.250 0.303     399.818     380.000      10.008   46 
+    380000       76000.00      40.409      18.955      59.365   4.96 0.071 0.800 0.255 1.048     366.614     380.000       8.014   46 
+    390000       78000.00      47.432       3.019      50.451   5.75 0.143 0.600 0.500 0.735     430.329     380.000       7.894   46 
+    400000       80000.00      40.803      -4.750      36.052   4.51 0.214 0.727 0.306 0.153     370.184     380.000       7.361   46 
+    410000       82000.00      42.563       3.588      46.150   5.46 0.000 1.000 0.167 0.284     386.149     380.000       7.919   46 
+    420000       84000.00      37.465      10.281      47.746   5.90 0.000 1.000 0.182 0.369     339.901     380.000      10.509   46 
+    430000       86000.00      35.817      12.234      48.052   5.00 0.000 1.000 0.261 0.868     324.954     380.000       8.945   46 
+    440000       88000.00      40.299       9.074      49.373   8.90 0.214 0.400 0.191 0.608     365.614     380.000      10.897   46 
+    450000       90000.00      29.820      10.354      40.174   4.42 0.071 0.667 0.167 0.247     270.543     380.000       8.169   46 
+    460000       92000.00      37.847      10.735      48.582   7.38 0.143 0.333 0.167 0.345     343.368     380.000      10.930   46 
+    470000       94000.00      46.693       8.070      54.763   8.09 0.000 1.000 0.261 0.979     423.621     380.000       8.352   46 
+    480000       96000.00      38.594       3.584      42.177   6.61 0.071 0.833 0.394 0.307     350.143     380.000       7.598   46 
+    490000       98000.00      37.560      19.950      57.510   6.95 0.000 1.000 0.136 1.167     340.763     380.000      10.437   46 
+    500000      100000.00      36.778       8.590      45.367  10.94 0.071 0.000 0.136 0.424     333.666     380.000      14.204   46 
+    510000      102000.00      37.577       9.062      46.639   5.84 0.071 0.667 0.136 0.242     340.918     370.000       9.136   46 
+    520000      104000.00      45.961      12.818      58.780   8.69 0.143 0.500 0.182 0.918     416.985     370.000      11.156   46 
+    530000      106000.00      37.626      12.700      50.326   4.63 0.000 1.000 0.538 0.687     341.359     370.000       8.296   46 
+    540000      108000.00      39.892      -2.420      37.472   4.72 0.071 0.667 0.152 0.214     361.917     370.000       7.463   46 
+    550000      110000.00      36.205      12.231      48.437   5.11 0.071 0.833 0.265 0.932     328.471     370.000       8.756   46 
+    560000      112000.00      34.754       4.740      39.494   5.72 0.214 0.500 0.212 0.720     315.304     370.000       8.595   46 
+    570000      114000.00      37.257      12.125      49.382   8.64 0.143 0.333 0.167 1.486     338.015     370.000      11.031   46 
+    580000      116000.00      40.444      14.519      54.962   6.43 0.071 0.800 0.309 0.860     366.925     370.000       8.220   46 
+    590000      118000.00      37.151       1.809      38.960   7.23 0.143 0.750 0.290 1.036     337.050     370.000       8.303   46 
+    600000      120000.00      37.839       5.796      43.635   6.46 0.000 1.000 0.348 0.938     343.298     370.000       7.856   46 
+    610000      122000.00      40.003      10.059      50.062   6.12 0.143 0.667 0.288 0.759     362.932     370.000       8.659   46 
+    620000      124000.00      39.546       8.578      48.124  10.96 0.071 0.500 0.136 0.407     358.780     370.000      14.688   46 
+    630000      126000.00      36.449       1.847      38.296   4.53 0.214 0.500 0.273 0.271     330.683     370.000       7.513   46 
+    640000      128000.00      32.873       7.423      40.296   6.01 0.000 1.000 0.205 1.000     298.245     370.000       9.505   46 
+    650000      130000.00      39.500       4.728      44.228   5.87 0.286 0.600 0.205 1.146     358.363     370.000       7.743   46 
+    660000      132000.00      31.239       6.353      37.593   6.01 0.000 1.000 0.364 1.293     283.421     370.000       8.755   46 
+    670000      134000.00      33.399      18.035      51.434   9.75 0.071 0.000 0.136 0.513     303.014     370.000      12.781   46 
+    680000      136000.00      35.009       5.476      40.485   7.26 0.000 1.000 0.330 0.499     317.622     370.000       9.467   46 
+    690000      138000.00      32.721       5.748      38.469   7.09 0.071 0.750 0.182 0.864     296.861     370.000       9.397   46 
+    700000      140000.00      30.015       3.246      33.261   4.85 0.143 0.500 0.216 0.596     272.313     370.000       8.152   46 
+    710000      142000.00      39.271       8.363      47.634   6.94 0.000 1.000 0.258 0.662     356.286     370.000       9.606   46 
+    720000      144000.00      40.966       7.354      48.320   5.77 0.214 0.500 0.174 0.381     371.666     370.000       8.519   46 
+    730000      146000.00      43.014       8.551      51.565   6.07 0.143 0.000 0.136 0.762     390.248     370.000      10.043   46 
+    740000      148000.00      35.272       3.746      39.018   6.03 0.071 0.800 0.191 0.289     320.008     370.000       8.266   46 
+    750000      150000.00      40.616      -1.408      39.208   4.39 0.143 0.800 0.323 0.371     368.492     370.000       7.329   46 
+    760000      152000.00      33.164      12.539      45.703   7.48 0.071 0.667 0.288 0.702     300.884     370.000       8.092   46 
+    770000      154000.00      36.792      11.184      47.976   5.54 0.071 0.667 0.273 0.874     333.800     370.000       8.979   46 
+    780000      156000.00      41.622      12.733      54.355   5.29 0.071 0.667 0.182 0.391     377.617     370.000       8.722   46 
+    790000      158000.00      26.564       9.644      36.208   6.28 0.000 1.000 0.159 0.484     241.000     370.000       9.081   46 
+    800000      160000.00      45.751       5.659      51.410   6.33 0.071 0.500 0.159 0.549     415.076     370.000       9.547   46 
+    810000      162000.00      29.915       6.898      36.813   7.16 0.071 0.667 0.273 0.652     271.405     370.000       9.232   46 
+    820000      164000.00      37.407       5.870      43.276   5.99 0.071 0.857 0.377 0.784     339.374     370.000       8.538   46 
+    830000      166000.00      40.453       0.696      41.149   3.75 0.214 0.625 0.278 0.643     367.009     370.000       7.283   46 
+    840000      168000.00      32.399       9.213      41.612   6.10 0.143 0.714 0.325 0.613     293.942     370.000       8.100   46 
+    850000      170000.00      40.080      12.952      53.031   5.99 0.071 0.889 0.394 0.192     363.623     370.000       7.737   46 
+    860000      172000.00      51.748       6.266      58.013   5.35 0.071 0.833 0.280 0.259     469.482     370.000       8.776   46 
+    870000      174000.00      35.223      12.206      47.429   6.82 0.071 0.750 0.216 1.271     319.563     370.000       9.399   46 
+    880000      176000.00      38.149      20.301      58.450   7.82 0.143 0.000 0.182 0.357     346.112     370.000      11.310   46 
+    890000      178000.00      45.228       9.360      54.588   5.49 0.000 1.000 0.511 0.454     410.333     370.000       8.816   46 
+    900000      180000.00      42.944      10.168      53.112   7.45 0.214 0.250 0.159 0.344     389.610     370.000      11.075   46 
+    910000      182000.00      39.535       1.860      41.395   6.66 0.143 0.778 0.449 0.677     358.686     370.000       7.165   46 
+    920000      184000.00      36.213      -0.945      35.268   8.00 0.071 0.750 0.159 0.546     328.544     370.000      11.202   46 
+    930000      186000.00      38.412       6.127      44.539   5.24 0.000 1.000 0.409 0.576     348.493     370.000       8.818   46 
+    940000      188000.00      40.058      11.389      51.447   7.77 0.000 1.000 0.182 0.314     363.429     370.000      10.438   46 
+    950000      190000.00      45.103       0.632      45.735   5.86 0.071 0.857 0.312 0.324     409.195     370.000       7.885   46 
+    960000      192000.00      38.633       3.797      42.430   6.20 0.143 0.714 0.318 0.414     350.499     370.000       8.419   46 
+    970000      194000.00      45.656       6.231      51.887   5.92 0.143 0.600 0.182 0.378     414.213     370.000       9.929   46 
+    980000      196000.00      33.204      18.718      51.923   6.69 0.071 0.500 0.182 0.344     301.246     370.000       9.830   46 
+    990000      198000.00      38.295      10.332      48.626   7.65 0.071 0.500 0.182 0.788     347.430     370.000      11.192   46 
+   1000000      200000.00      41.321       3.816      45.137   6.38 0.071 0.800 0.364 0.691     374.885     370.000       9.322   46