Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB026.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat
new file mode 100644 (file)
index 0000000..7fda7d8
--- /dev/null
+++ b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB026.stat
@@ -0,0 +1,101 @@
+         0           0.00      27.040     114.718     141.759  12.87 0.000   NaN   NaN 4.850     245.323     310.000      15.552   26 
+     10000        2000.00      32.396     -13.327      19.068   3.02 0.357 0.545 0.364 0.658     293.911     310.000       7.319   26 
+     20000        4000.00      30.815     -14.711      16.104   4.52 0.143 0.867 0.342 0.718     279.568     310.000       6.793   26 
+     30000        6000.00      24.599      -5.131      19.468   5.14 0.214 0.700 0.382 0.486     223.172     310.000       7.399   26 
+     40000        8000.00      32.156     -15.748      16.408   6.23 0.286 0.556 0.192 0.488     291.739     310.000       7.751   26 
+     50000       10000.00      33.120     -12.137      20.983   4.07 0.357 0.500 0.200 0.626     300.478     310.000       7.967   26 
+     60000       12000.00      31.615     -24.522       7.094   6.35 0.143 0.778 0.202 0.507     286.831     310.000       8.007   26 
+     70000       14000.00      29.713     -15.893      13.820   5.98 0.071 0.875 0.244 0.401     269.574     310.000       7.562   26 
+     80000       16000.00      36.827     -21.969      14.858   5.81 0.214 0.769 0.245 0.596     334.115     310.000       7.756   26 
+     90000       18000.00      23.790     -23.118       0.673   5.99 0.000 1.000 0.278 0.275     215.839     310.000       7.303   26 
+    100000       20000.00      34.355     -25.601       8.754   3.86 0.357 0.688 0.332 0.543     311.689     310.000       7.017   26 
+    110000       22000.00      30.033      -8.519      21.514   7.97 0.071 0.833 0.182 0.279     272.473     310.000       9.709   26 
+    120000       24000.00      30.594     -20.987       9.607   4.31 0.214 0.800 0.321 0.354     277.569     310.000       6.789   26 
+    130000       26000.00      34.718     -25.456       9.262   3.56 0.214 0.727 0.194 1.112     314.978     310.000       7.053   26 
+    140000       28000.00      39.906      -8.726      31.180   3.15 0.214 0.571 0.208 0.817     362.051     310.000       7.140   26 
+    150000       30000.00      37.426      -6.509      30.917   4.17 0.286 0.556 0.237 0.334     339.546     310.000       7.223   26 
+    160000       32000.00      37.086     -20.038      17.047   4.05 0.143 0.714 0.234 0.232     336.461     310.000       7.199   26 
+    170000       34000.00      39.556     -21.760      17.796   4.96 0.143 0.846 0.371 0.475     358.875     310.000       6.875   26 
+    180000       36000.00      35.442     -18.175      17.266   3.84 0.286 0.692 0.262 0.963     321.546     310.000       6.561   26 
+    190000       38000.00      24.624     -20.264       4.360   4.97 0.214 0.727 0.269 0.300     223.399     310.000       7.351   26 
+    200000       40000.00      30.926     -21.249       9.676   3.92 0.357 0.444 0.167 0.952     280.573     310.000       8.167   26 
+    210000       42000.00      31.739     -19.932      11.808   3.13 0.286 0.500 0.165 0.259     287.957     310.000       7.865   26 
+    220000       44000.00      27.975     -15.199      12.776   3.70 0.143 0.750 0.250 0.368     253.807     310.000       7.469   26 
+    230000       46000.00      25.686     -17.596       8.090   3.02 0.429 0.625 0.284 0.473     233.036     310.000       6.515   26 
+    240000       48000.00      34.134     -24.394       9.740   2.70 0.357 0.545 0.298 0.420     309.680     310.000       7.220   26 
+    250000       50000.00      32.593     -19.348      13.245   2.81 0.286 0.600 0.200 0.544     295.699     310.000       7.185   26 
+    260000       52000.00      32.024     -21.190      10.834   3.25 0.500 0.533 0.336 0.313     290.535     310.000       7.334   26 
+    270000       54000.00      31.133     -17.781      13.352   3.44 0.143 0.714 0.208 0.412     282.453     310.000       7.223   26 
+    280000       56000.00      26.860     -19.650       7.210   6.58 0.143 0.667 0.167 0.787     243.688     310.000       7.585   26 
+    290000       58000.00      31.902     -14.225      17.677   6.15 0.143 0.778 0.227 0.486     289.434     310.000       7.612   26 
+    300000       60000.00      30.845      -3.287      27.557   5.00 0.071 0.857 0.286 0.325     279.837     310.000       7.890   26 
+    310000       62000.00      27.992      -5.729      22.263   6.48 0.071 0.875 0.233 0.362     253.955     310.000       7.656   26 
+    320000       64000.00      29.419     -21.471       7.949   2.91 0.286 0.714 0.305 0.578     266.907     310.000       6.657   26 
+    330000       66000.00      32.513      -7.946      24.567   3.99 0.286 0.500 0.261 1.301     294.976     310.000       7.170   26 
+    340000       68000.00      45.541     -12.966      32.576   3.01 0.214 0.727 0.289 0.456     413.176     310.000       6.949   26 
+    350000       70000.00      29.455     -21.484       7.971   4.48 0.214 0.727 0.215 0.590     267.231     310.000       7.387   26 
+    360000       72000.00      33.702      -9.110      24.592   3.88 0.214 0.625 0.358 0.733     305.763     310.000       7.305   26 
+    370000       74000.00      38.276     -14.483      23.793   4.05 0.286 0.636 0.194 0.324     347.256     310.000       7.693   26 
+    380000       76000.00      38.454     -16.758      21.696   3.38 0.214 0.750 0.345 0.366     348.872     310.000       7.446   26 
+    390000       78000.00      33.671     -17.907      15.764   6.06 0.214 0.571 0.175 0.628     305.479     310.000       8.837   26 
+    400000       80000.00      29.531     -11.985      17.546   5.28 0.143 0.778 0.167 0.098     267.919     310.000       8.405   26 
+    410000       82000.00      24.777     -13.615      11.161   5.01 0.071 0.875 0.250 0.455     224.785     310.000       6.987   26 
+    420000       84000.00      23.286     -11.849      11.438   6.41 0.214 0.571 0.162 0.355     211.265     310.000       8.837   26 
+    430000       86000.00      33.752      -7.950      25.802   6.94 0.143 0.778 0.222 0.487     306.212     310.000       8.459   26 
+    440000       88000.00      30.339     -16.315      14.024   2.78 0.286 0.429 0.201 0.469     275.254     310.000       7.687   26 
+    450000       90000.00      38.311     -18.663      19.648   4.61 0.357 0.444 0.157 0.349     347.577     310.000       7.927   26 
+    460000       92000.00      29.530     -22.512       7.018   4.87 0.286 0.636 0.397 0.468     267.908     310.000       6.775   26 
+    470000       94000.00      23.505     -11.769      11.736   5.66 0.143 0.833 0.398 0.162     213.253     310.000       6.912   26 
+    480000       96000.00      33.609      -5.905      27.705   6.66 0.286 0.692 0.311 0.526     304.922     310.000       6.701   26 
+    490000       98000.00      36.205     -19.279      16.927   4.25 0.214 0.769 0.283 0.613     328.475     310.000       6.847   26 
+    500000      100000.00      30.916      -7.787      23.129   7.03 0.286 0.636 0.169 0.482     280.487     310.000       9.321   26 
+    510000      102000.00      39.357      -1.824      37.533   3.99 0.214 0.571 0.292 0.735     357.071     330.000       7.455   26 
+    520000      104000.00      31.460       0.237      31.697   4.66 0.214 0.500 0.159 0.300     285.420     330.000       7.960   26 
+    530000      106000.00      29.375       3.462      32.837   5.13 0.214 0.625 0.278 1.027     266.507     330.000       7.421   26 
+    540000      108000.00      41.867       2.707      44.573   3.78 0.214 0.667 0.308 0.905     379.835     330.000       8.213   26 
+    550000      110000.00      41.855      -5.104      36.751   4.75 0.214 0.667 0.217 1.410     379.729     330.000       7.958   26 
+    560000      112000.00      32.708      -3.424      29.284   5.46 0.143 0.750 0.188 0.631     296.742     330.000       9.051   26 
+    570000      114000.00      46.755      -5.934      40.822   4.35 0.143 0.714 0.279 0.882     424.188     330.000       7.890   26 
+    580000      116000.00      28.167      -1.915      26.253   5.91 0.143 0.667 0.500 0.869     255.547     330.000       8.268   26 
+    590000      118000.00      28.683      -6.284      22.399   6.02 0.143 0.750 0.295 0.375     260.230     330.000       7.124   26 
+    600000      120000.00      37.189     -20.159      17.030   3.04 0.214 0.786 0.360 0.757     337.402     330.000       6.411   26 
+    610000      122000.00      32.217     -17.878      14.339   5.39 0.071 0.933 0.394 0.367     292.291     330.000       6.570   26 
+    620000      124000.00      28.077      -6.929      21.148   4.33 0.286 0.556 0.227 0.303     254.734     330.000       7.266   26 
+    630000      126000.00      46.595      -6.101      40.493   5.59 0.214 0.700 0.273 0.610     422.732     330.000       6.884   26 
+    640000      128000.00      45.092      -9.084      36.008   3.73 0.143 0.667 0.288 0.191     409.102     330.000       7.615   26 
+    650000      130000.00      29.867      -9.779      20.088   3.57 0.000 1.000 0.435 0.315     270.972     330.000       7.808   26 
+    660000      132000.00      32.247     -14.144      18.102   4.37 0.286 0.556 0.197 0.410     292.559     330.000       8.219   26 
+    670000      134000.00      34.755      -8.420      26.335   7.93 0.214 0.571 0.182 0.386     315.319     330.000       9.566   26 
+    680000      136000.00      31.618      -8.513      23.105   3.68 0.214 0.727 0.182 0.937     286.857     330.000       8.086   26 
+    690000      138000.00      38.842      -0.482      38.359   6.14 0.071 0.833 0.182 0.900     352.390     330.000       9.558   26 
+    700000      140000.00      37.475      -9.390      28.085   3.31 0.143 0.800 0.414 0.820     339.993     330.000       7.115   26 
+    710000      142000.00      33.230      10.975      44.205   6.78 0.071 0.500 0.182 0.474     301.481     340.000       9.630   26 
+    720000      144000.00      40.134       4.974      45.109   7.96 0.071 0.833 0.189 1.588     364.121     340.000      10.197   26 
+    730000      146000.00      34.545      11.102      45.647   5.90 0.214 0.400 0.227 0.454     313.413     340.000       7.747   26 
+    740000      148000.00      38.945       6.619      45.563   6.80 0.000 1.000 0.282 0.491     353.325     340.000       7.789   26 
+    750000      150000.00      33.282      -4.594      28.688   6.00 0.143 0.846 0.273 0.393     301.953     340.000       7.463   26 
+    760000      152000.00      36.525       7.400      43.925   7.20 0.071 0.800 0.209 0.365     331.376     340.000      10.157   26 
+    770000      154000.00      40.478       1.115      41.592   6.98 0.071 0.833 0.280 0.843     367.233     340.000      10.119   26 
+    780000      156000.00      43.956      10.198      54.154   5.77 0.000 1.000 0.364 0.547     398.793     340.000       8.353   26 
+    790000      158000.00      32.288       6.275      38.563   3.71 0.214 0.500 0.167 0.335     292.935     340.000       8.675   26 
+    800000      160000.00      40.561       0.679      41.241   5.22 0.071 0.833 0.379 0.479     367.995     340.000       8.387   26 
+    810000      162000.00      34.544      10.495      45.039   5.23 0.143 0.333 0.318 1.102     313.400     380.000       8.584   26 
+    820000      164000.00      36.447      21.031      57.479   8.96 0.000 1.000 0.227 0.453     330.668     380.000      13.288   26 
+    830000      166000.00      34.158      11.602      45.760   5.60 0.143 0.667 0.197 0.893     309.901     380.000       8.056   26 
+    840000      168000.00      38.175       3.797      41.972   5.46 0.071 0.750 0.227 0.485     346.342     380.000       9.289   26 
+    850000      170000.00      34.893       4.669      39.563  11.02 0.000 1.000 0.136 0.423     316.568     380.000      13.441   26 
+    860000      172000.00      41.208      -2.104      39.104   5.11 0.214 0.571 0.318 1.407     373.858     380.000       8.357   26 
+    870000      174000.00      35.545      10.326      45.871   8.96 0.000   NaN   NaN 0.459     322.485     380.000      12.100   26 
+    880000      176000.00      36.461       9.015      45.475   7.97 0.000   NaN   NaN 0.378     330.789     380.000      10.720   26 
+    890000      178000.00      40.727       9.005      49.732   9.30 0.071 0.667 0.197 0.748     369.495     380.000      12.475   26 
+    900000      180000.00      41.436      11.060      52.496   6.86 0.143 0.714 0.201 0.356     375.926     380.000       8.106   26 
+    910000      182000.00      41.917      -3.422      38.495   7.13 0.000 1.000 0.222 0.672     380.292     360.000       9.557   26 
+    920000      184000.00      41.602       4.234      45.836   6.39 0.143 0.800 0.268 0.524     377.434     360.000       8.150   26 
+    930000      186000.00      31.848     -11.793      20.055   7.36 0.071 0.917 0.311 0.235     288.941     360.000       6.977   26 
+    940000      188000.00      33.834       9.313      43.147   6.40 0.214 0.667 0.318 0.314     306.962     360.000       8.364   26 
+    950000      190000.00      34.845       3.473      38.318   6.18 0.143 0.667 0.205 0.198     316.128     360.000       7.713   26 
+    960000      192000.00      35.642       2.055      37.697   6.40 0.071 0.800 0.418 0.367     323.362     360.000       8.154   26 
+    970000      194000.00      25.625       4.620      30.245   4.23 0.000 1.000 0.382 0.685     232.487     360.000       7.706   26 
+    980000      196000.00      41.313       3.808      45.121   5.16 0.071 0.750 0.205 0.521     374.813     360.000       8.560   26 
+    990000      198000.00      30.295       7.759      38.054   8.05 0.000 1.000 0.227 0.902     274.856     360.000      11.372   26 
+   1000000      200000.00      29.880       3.136      33.015   4.96 0.143 0.600 0.182 0.578     271.086     360.000       8.569   26