Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB037.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB037.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB037.stat
new file mode 100644 (file)
index 0000000..e5282b3
--- /dev/null
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB037.stat
@@ -0,0 +1,101 @@
+         0           0.00      33.199     113.732     146.930  12.87 0.000   NaN   NaN 4.850     301.195     340.000      15.552   37 
+     10000        2000.00      42.661      -1.176      41.484   5.04 0.071 0.900 0.350 0.556     387.041     340.000       6.938   37 
+     20000        4000.00      38.216      -6.068      32.148   4.65 0.071 0.900 0.323 0.806     346.715     340.000       7.184   37 
+     30000        6000.00      37.691      -7.572      30.119   4.71 0.214 0.700 0.391 0.739     341.951     340.000       7.146   37 
+     40000        8000.00      30.157      -7.072      23.085   5.35 0.143 0.667 0.189 0.828     273.598     340.000       8.206   37 
+     50000       10000.00      33.791       2.612      36.403   6.64 0.071 0.800 0.355 0.345     306.569     340.000       7.389   37 
+     60000       12000.00      31.498      -3.130      28.368   4.93 0.071 0.800 0.355 0.342     285.767     340.000       7.451   37 
+     70000       14000.00      42.855      -1.950      40.904   5.84 0.071 0.800 0.509 0.588     388.799     340.000       7.776   37 
+     80000       16000.00      39.519      -5.901      33.619   3.77 0.071 0.875 0.295 0.494     358.538     340.000       7.890   37 
+     90000       18000.00      28.713       9.058      37.770   6.70 0.214 0.250 0.159 0.239     260.496     340.000      10.365   37 
+    100000       20000.00      40.115       5.290      45.405   4.58 0.214 0.500 0.348 0.248     363.941     340.000       7.827   37 
+    110000       22000.00      34.213       4.007      38.220   5.13 0.071 0.875 0.364 0.561     310.396     350.000       7.942   37 
+    120000       24000.00      37.395      -2.872      34.522   8.44 0.214 0.250 0.136 0.569     339.263     350.000      10.225   37 
+    130000       26000.00      30.688      -6.670      24.018   4.57 0.357 0.643 0.256 0.451     278.422     350.000       7.237   37 
+    140000       28000.00      49.240       1.274      50.514   4.70 0.143 0.750 0.312 0.409     446.728     350.000       7.674   37 
+    150000       30000.00      35.179       6.396      41.575   4.21 0.143 0.500 0.205 0.267     319.163     350.000       8.480   37 
+    160000       32000.00      45.340      12.566      57.906   4.62 0.143 0.750 0.301 0.893     411.346     350.000       7.576   37 
+    170000       34000.00      33.163       3.106      36.269   5.88 0.071 0.000 0.136 0.590     300.869     350.000       8.297   37 
+    180000       36000.00      36.046      16.133      52.179   9.24 0.143 0.000 0.159 0.705     327.028     350.000      11.113   37 
+    190000       38000.00      27.444       9.685      37.129   6.83 0.000 1.000 0.250 0.508     248.983     350.000       9.387   37 
+    200000       40000.00      44.452       5.294      49.746   7.32 0.214 0.400 0.191 0.367     403.289     350.000      10.095   37 
+    210000       42000.00      31.998       5.725      37.723   6.69 0.071 0.833 0.212 1.106     290.300     340.000       8.209   37 
+    220000       44000.00      29.002       8.790      37.792   6.01 0.071 0.800 0.345 0.763     263.118     340.000       8.787   37 
+    230000       46000.00      36.225     -13.172      23.053   6.07 0.071 0.909 0.298 0.369     328.652     340.000       7.026   37 
+    240000       48000.00      39.424      -3.493      35.931   4.65 0.143 0.818 0.260 0.308     357.676     340.000       7.399   37 
+    250000       50000.00      33.084      -0.933      32.151   5.30 0.143 0.500 0.205 0.802     300.151     340.000       9.168   37 
+    260000       52000.00      41.140      -2.088      39.052   7.07 0.214 0.571 0.195 0.747     373.244     340.000      10.095   37 
+    270000       54000.00      24.855       1.464      26.319   5.43 0.000 1.000 0.427 0.307     225.497     340.000       7.858   37 
+    280000       56000.00      25.066      -6.048      19.018   6.74 0.071 0.917 0.330 0.385     227.415     340.000       7.356   37 
+    290000       58000.00      25.662      -0.393      25.268   4.58 0.143 0.333 0.136 0.400     232.817     340.000       8.636   37 
+    300000       60000.00      38.007      -9.686      28.321   3.29 0.214 0.625 0.307 0.816     344.822     340.000       7.038   37 
+    310000       62000.00      37.965       4.571      42.536   7.26 0.071 0.500 0.159 1.280     344.435     350.000      10.274   37 
+    320000       64000.00      30.870       5.611      36.482   6.63 0.143 0.500 0.148 0.474     280.070     350.000       9.616   37 
+    330000       66000.00      39.004       7.300      46.304   6.57 0.071 0.750 0.205 1.437     353.867     350.000      10.407   37 
+    340000       68000.00      33.508       1.936      35.444   7.61 0.214 0.571 0.182 0.279     304.002     350.000       9.685   37 
+    350000       70000.00      28.317      -2.095      26.221   5.40 0.071 0.800 0.200 0.644     256.903     350.000       8.113   37 
+    360000       72000.00      31.780      -6.338      25.442   7.57 0.214 0.786 0.295 0.449     288.326     350.000       7.078   37 
+    370000       74000.00      34.533      19.790      54.323   9.24 0.000   NaN   NaN 0.755     313.299     350.000      11.012   37 
+    380000       76000.00      35.582      -7.163      28.419   3.78 0.286 0.556 0.172 0.221     322.815     350.000       7.556   37 
+    390000       78000.00      32.664       4.686      37.351   5.36 0.143 0.500 0.523 0.414     296.346     350.000       7.957   37 
+    400000       80000.00      34.159      -7.548      26.611   4.47 0.286 0.500 0.239 0.675     309.908     350.000       7.439   37 
+    410000       82000.00      32.588       3.335      35.923   4.46 0.071 0.800 0.300 1.147     295.651     350.000       7.555   37 
+    420000       84000.00      32.557      -1.048      31.509   3.91 0.214 0.571 0.156 0.579     295.376     350.000       7.724   37 
+    430000       86000.00      30.850      -2.327      28.523   3.17 0.214 0.700 0.223 0.624     279.891     350.000       7.765   37 
+    440000       88000.00      45.293      -9.433      35.860   4.69 0.214 0.700 0.291 0.905     410.921     350.000       7.765   37 
+    450000       90000.00      37.436      -6.331      31.105   5.01 0.286 0.600 0.345 0.409     339.638     350.000       7.223   37 
+    460000       92000.00      33.490      -2.937      30.553   3.83 0.143 0.818 0.388 0.363     303.837     350.000       6.872   37 
+    470000       94000.00      34.479       1.599      36.078   6.05 0.071 0.750 0.205 0.362     312.811     350.000       8.800   37 
+    480000       96000.00      31.088     -13.496      17.592   7.16 0.143 0.833 0.330 0.837     282.047     350.000       7.116   37 
+    490000       98000.00      35.555      -1.868      33.687   8.24 0.000 1.000 0.182 0.948     322.572     350.000      10.125   37 
+    500000      100000.00      40.246       4.708      44.953   8.34 0.071 0.500 0.205 0.996     365.129     350.000      10.786   37 
+    510000      102000.00      29.488       5.110      34.599   4.51 0.000 1.000 0.273 0.352     267.534     350.000       8.903   37 
+    520000      104000.00      34.061       3.919      37.979   3.93 0.214 0.571 0.377 0.946     309.016     350.000       6.928   37 
+    530000      106000.00      42.190      -7.665      34.525   5.01 0.143 0.750 0.239 0.553     382.771     350.000       7.877   37 
+    540000      108000.00      46.718       7.265      53.983   4.66 0.143 0.750 0.330 0.657     423.852     350.000       7.929   37 
+    550000      110000.00      59.157       4.235      63.392   5.94 0.000 1.000 0.455 0.257     536.705     350.000       8.933   37 
+    560000      112000.00      36.925      -4.309      32.615   5.57 0.143 0.750 0.409 0.228     334.998     350.000       7.922   37 
+    570000      114000.00      30.137       5.678      35.815   4.21 0.071 0.800 0.355 0.438     273.419     350.000       8.180   37 
+    580000      116000.00      34.443      -0.911      33.532   5.45 0.143 0.818 0.252 0.576     312.487     350.000       7.689   37 
+    590000      118000.00      36.173      -6.440      29.733   7.23 0.214 0.800 0.385 0.510     328.178     350.000       6.540   37 
+    600000      120000.00      35.243     -20.092      15.151   3.25 0.286 0.600 0.236 0.412     319.744     350.000       7.416   37 
+    610000      122000.00      43.637      16.149      59.786   9.03 0.071 0.667 0.242 1.160     395.897     350.000      12.167   37 
+    620000      124000.00      36.883       7.043      43.925   6.15 0.143 0.600 0.182 0.711     334.621     350.000       8.184   37 
+    630000      126000.00      36.046     -10.555      25.491   5.94 0.286 0.714 0.458 0.217     327.025     350.000       6.916   37 
+    640000      128000.00      35.096       8.545      43.641   5.22 0.071 0.750 0.375 0.237     318.407     350.000       8.109   37 
+    650000      130000.00      38.946       3.183      42.128   6.01 0.143 0.000 0.136 0.375     353.335     350.000       9.495   37 
+    660000      132000.00      30.425      -3.373      27.052   3.59 0.071 0.500 0.136 0.823     276.029     350.000       8.468   37 
+    670000      134000.00      27.224       1.688      28.912   7.35 0.000 1.000 0.330 0.416     246.991     350.000       9.748   37 
+    680000      136000.00      33.224       4.169      37.392   6.94 0.143 0.333 0.136 0.761     301.423     350.000      10.372   37 
+    690000      138000.00      29.913      -0.928      28.985   5.49 0.071 0.800 0.364 0.300     271.385     350.000       7.320   37 
+    700000      140000.00      36.201       8.315      44.517   8.18 0.000 1.000 0.136 0.899     328.435     350.000      12.506   37 
+    710000      142000.00      39.552      18.688      58.239   7.11 0.000 1.000 0.409 1.139     358.833     390.000       8.935   37 
+    720000      144000.00      27.106       5.459      32.565   7.95 0.000 1.000 0.200 0.852     245.922     390.000       9.662   37 
+    730000      146000.00      30.194      11.302      41.496   7.50 0.143 0.500 0.170 0.310     273.933     390.000      10.670   37 
+    740000      148000.00      37.696      11.893      49.589   5.25 0.000 1.000 0.288 0.418     341.999     390.000       8.074   37 
+    750000      150000.00      31.144      19.695      50.839   7.78 0.000 1.000 0.136 0.277     282.559     390.000      12.580   37 
+    760000      152000.00      40.559      11.589      52.148   6.51 0.000   NaN   NaN 0.774     367.969     390.000      11.145   37 
+    770000      154000.00      40.007       4.760      44.767   7.49 0.071 0.667 0.167 0.344     362.965     390.000      11.064   37 
+    780000      156000.00      37.363      13.677      51.041   9.92 0.071 0.500 0.136 0.761     338.979     390.000      12.999   37 
+    790000      158000.00      46.226      11.502      57.728   7.16 0.071 0.000 0.136 0.155     419.383     390.000      10.520   37 
+    800000      160000.00      40.367      14.283      54.649   7.19 0.000 1.000 0.282 0.647     366.228     390.000       8.729   37 
+    810000      162000.00      41.079      24.675      65.755   8.27 0.000 1.000 0.136 0.742     372.694     390.000      11.029   37 
+    820000      164000.00      47.538       3.679      51.216   4.79 0.000 1.000 0.391 0.388     431.288     390.000       8.260   37 
+    830000      166000.00      41.229       2.248      43.477   4.77 0.071 0.500 0.227 0.580     374.050     390.000       8.640   37 
+    840000      168000.00      42.374       1.554      43.929   4.78 0.071 0.857 0.461 0.621     384.440     390.000       7.639   37 
+    850000      170000.00      37.889      18.362      56.250   6.21 0.071 0.500 0.182 1.079     343.747     390.000       9.294   37 
+    860000      172000.00      45.152      15.325      60.477   5.82 0.000 1.000 0.386 0.277     409.643     390.000       9.299   37 
+    870000      174000.00      37.535       6.044      43.579   5.04 0.000 1.000 0.394 0.482     340.539     390.000       7.727   37 
+    880000      176000.00      38.732      11.285      50.017   6.95 0.071 0.667 0.227 0.343     351.398     390.000       9.645   37 
+    890000      178000.00      43.846      15.228      59.074   4.39 0.000 1.000 0.318 0.497     397.792     390.000       9.230   37 
+    900000      180000.00      37.829       0.808      38.636   3.54 0.071 0.750 0.386 0.580     343.200     390.000       7.972   37 
+    910000      182000.00      41.573       7.996      49.569   4.52 0.143 0.000 0.159 1.052     377.173     390.000       9.281   37 
+    920000      184000.00      38.899       8.149      47.048   6.91 0.071 0.833 0.159 0.299     352.911     390.000       9.799   37 
+    930000      186000.00      45.881       1.647      47.528   6.74 0.071 0.875 0.278 0.939     416.257     390.000       9.010   37 
+    940000      188000.00      33.487      20.667      54.154   7.57 0.143 0.000 0.136 0.317     303.810     390.000      11.970   37 
+    950000      190000.00      36.856       9.124      45.979   7.78 0.071 0.500 0.136 0.826     334.376     390.000      11.238   37 
+    960000      192000.00      49.474      22.272      71.746   8.04 0.071 0.000 0.136 1.459     448.849     390.000       9.986   37 
+    970000      194000.00      34.599      11.418      46.018   6.83 0.071 0.800 0.227 1.245     313.902     390.000       8.071   37 
+    980000      196000.00      38.924      10.463      49.387   6.61 0.000 1.000 0.523 0.538     353.136     390.000       7.903   37 
+    990000      198000.00      48.509       4.221      52.729   5.38 0.071 0.875 0.375 0.246     440.095     390.000       7.237   37 
+   1000000      200000.00      45.700      15.485      61.185   4.59 0.071 0.667 0.182 0.283     414.615     390.000       9.318   37