Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego

[unres.git] / examples / unres / new / REMD / Langevin / ff_gab / 1L2Y_REMD_GB015.stat

diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB015.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB015.stat
new file mode 100644 (file)
index 0000000..306dfef
--- /dev/null
+++ b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB015.stat
@@ -0,0 +1,101 @@
+         0           0.00      43.069      20.946      64.015  12.87 0.000   NaN   NaN 0.931     390.743     400.000      15.552   15 
+     10000        2000.00      44.470      -4.104      40.367  10.95 0.000   NaN   NaN 1.266     403.459     400.000      14.735   15 
+     20000        4000.00      44.785      11.536      56.321  10.41 0.000   NaN   NaN 2.314     406.316     400.000      13.114   15 
+     30000        6000.00      48.653       4.654      53.307  10.19 0.000 1.000 0.182 2.261     441.405     400.000      12.819   15 
+     40000        8000.00      50.711       3.140      53.851   9.81 0.071 0.500 0.159 2.836     460.075     400.000      13.497   15 
+     50000       10000.00      47.996      -1.468      46.528  11.86 0.000   NaN   NaN 3.443     435.441     400.000      15.668   15 
+     60000       12000.00      40.662       4.580      45.242  10.68 0.000   NaN   NaN 1.511     368.909     400.000      14.370   15 
+     70000       14000.00      50.013      -5.418      44.595   9.00 0.143 0.000 0.159 1.894     453.746     400.000      12.725   15 
+     80000       16000.00      52.280      11.786      64.065   7.32 0.071 0.667 0.212 4.114     474.309     400.000       9.345   15 
+     90000       18000.00      56.012     -17.194      38.817   7.40 0.286 0.500 0.222 4.083     508.167     400.000       7.843   15 
+    100000       20000.00      41.477     -22.575      18.902   7.17 0.000 1.000 0.301 2.483     376.298     400.000      10.018   15 
+    110000       22000.00      39.665      -9.907      29.758   5.87 0.071 0.833 0.364 1.223     359.857     390.000       8.710   15 
+    120000       24000.00      40.009      -0.800      39.209   6.57 0.143 0.600 0.409 2.189     362.985     390.000       7.951   15 
+    130000       26000.00      35.217     -22.648      12.569   5.97 0.071 0.833 0.523 2.444     319.505     390.000       7.305   15 
+    140000       28000.00      43.834     -13.305      30.529   5.92 0.071 0.750 0.466 1.670     397.689     390.000       8.911   15 
+    150000       30000.00      41.664     -16.443      25.221   5.81 0.143 0.750 0.455 2.164     377.994     390.000       8.757   15 
+    160000       32000.00      57.440      -7.226      50.214   5.25 0.071 0.000 0.773 3.673     521.128     390.000       9.236   15 
+    170000       34000.00      46.841     -11.393      35.448   5.90 0.071 0.800 0.573 1.206     424.965     390.000       9.176   15 
+    180000       36000.00      44.801     -15.968      28.833   4.55 0.071 0.750 0.523 2.695     406.455     390.000       8.968   15 
+    190000       38000.00      42.845      -6.999      35.846   4.75 0.071 0.667 0.182 1.370     388.712     390.000       8.480   15 
+    200000       40000.00      57.881     -13.742      44.138   4.92 0.143 0.667 0.402 2.918     525.123     390.000       7.444   15 
+    210000       42000.00      42.123     -10.343      31.780   4.18 0.000 1.000 0.518 1.580     382.165     380.000       8.415   15 
+    220000       44000.00      33.908     -12.406      21.502   4.69 0.000 1.000 0.386 1.810     307.628     380.000       8.430   15 
+    230000       46000.00      44.660     -11.570      33.090   5.07 0.143 0.778 0.419 0.794     405.179     380.000       8.235   15 
+    240000       48000.00      44.196     -12.561      31.635   5.52 0.214 0.625 0.312 1.876     400.971     380.000       8.730   15 
+    250000       50000.00      39.872      -2.324      37.548   5.28 0.071 0.500 0.136 2.173     361.740     380.000      10.226   15 
+    260000       52000.00      50.715     -11.960      38.754   4.38 0.286 0.200 0.182 1.820     460.110     380.000       8.464   15 
+    270000       54000.00      52.051     -14.410      37.640   5.14 0.071 0.667 0.409 2.654     472.230     380.000       8.578   15 
+    280000       56000.00      41.764       5.643      47.407   5.89 0.071 0.857 0.422 2.552     378.905     380.000       8.551   15 
+    290000       58000.00      58.649     -11.196      47.453   5.82 0.143 0.600 0.318 1.184     532.094     380.000       8.099   15 
+    300000       60000.00      44.152       3.645      47.797   5.13 0.071 0.800 0.255 2.651     400.571     380.000       7.978   15 
+    310000       62000.00      39.176     -18.577      20.598   5.43 0.214 0.625 0.347 1.694     355.423     400.000       7.750   15 
+    320000       64000.00      41.273       2.584      43.857   4.62 0.214 0.571 0.312 3.243     374.447     400.000       7.870   15 
+    330000       66000.00      47.774      -1.382      46.392   5.61 0.071 0.750 0.284 1.468     433.434     400.000       7.936   15 
+    340000       68000.00      49.095       0.255      49.349   6.10 0.000 1.000 0.295 3.559     445.412     400.000      10.492   15 
+    350000       70000.00      42.273       2.719      44.992   8.42 0.000   NaN   NaN 1.262     383.521     400.000      13.291   15 
+    360000       72000.00      43.749      11.620      55.369   7.31 0.071 0.500 0.205 3.577     396.912     400.000      12.079   15 
+    370000       74000.00      53.580     -12.223      41.357   9.53 0.000   NaN   NaN 1.385     486.109     400.000      14.239   15 
+    380000       76000.00      43.425      -9.097      34.328  10.28 0.071 0.667 0.182 2.103     393.972     400.000      12.581   15 
+    390000       78000.00      52.656      -0.185      52.471  10.38 0.000   NaN   NaN 1.993     477.722     400.000      13.323   15 
+    400000       80000.00      44.832       4.673      49.505  11.15 0.143 0.000 0.159 1.726     406.741     400.000      13.801   15 
+    410000       82000.00      51.801      -8.048      43.753   7.42 0.071 0.000 0.182 1.726     469.963     390.000      11.979   15 
+    420000       84000.00      26.823       7.781      34.603   9.49 0.143 0.333 0.167 1.666     243.350     390.000      12.332   15 
+    430000       86000.00      48.742       1.155      49.897   9.75 0.071 0.500 0.159 1.414     442.215     390.000      12.456   15 
+    440000       88000.00      48.343      -6.089      42.253   8.09 0.071 0.000 0.182 1.053     438.590     390.000      12.135   15 
+    450000       90000.00      42.758      -6.139      36.619   7.14 0.143 0.500 0.182 1.964     387.925     390.000       8.794   15 
+    460000       92000.00      43.105      -4.960      38.146   7.96 0.000 1.000 0.338 2.065     391.075     390.000       8.182   15 
+    470000       94000.00      38.416      -1.734      36.682   7.37 0.071 0.500 0.227 3.007     348.528     390.000       9.015   15 
+    480000       96000.00      44.417       5.384      49.801   7.62 0.143 0.600 0.182 2.086     402.976     390.000      10.110   15 
+    490000       98000.00      49.915      -2.888      47.027   7.40 0.143 0.333 0.182 2.503     452.851     390.000      10.048   15 
+    500000      100000.00      52.275       5.043      57.318   6.13 0.000 1.000 0.273 3.353     474.265     390.000      10.148   15 
+    510000      102000.00      64.760      -3.813      60.947   6.17 0.071 0.000 0.136 1.585     587.534     380.000      10.582   15 
+    520000      104000.00      38.010      -4.329      33.681   6.13 0.000 1.000 0.205 3.497     344.850     380.000      10.564   15 
+    530000      106000.00      42.148      -8.909      33.239   7.54 0.071 0.857 0.266 2.596     382.387     380.000       8.125   15 
+    540000      108000.00      49.745      -9.208      40.538   5.76 0.214 0.000 0.197 1.782     451.317     380.000       8.936   15 
+    550000      110000.00      31.435     -18.223      13.211   4.80 0.143 0.500 0.295 1.630     285.192     380.000       8.304   15 
+    560000      112000.00      43.527      -9.009      34.518   6.00 0.000 1.000 0.500 0.991     394.900     380.000       8.483   15 
+    570000      114000.00      55.532      -4.542      50.990   5.42 0.143 0.667 0.311 4.942     503.811     380.000       7.727   15 
+    580000      116000.00      44.896      -0.454      44.443   6.64 0.071 0.833 0.356 1.747     407.324     380.000       8.227   15 
+    590000      118000.00      47.923     -13.723      34.200   5.91 0.143 0.333 0.242 4.919     434.784     380.000       9.497   15 
+    600000      120000.00      59.811      12.804      72.615   5.13 0.143 0.333 0.333 2.623     542.633     380.000       9.254   15 
+    610000      122000.00      43.005     -16.956      26.049   5.07 0.071 0.800 0.518 0.980     390.166     370.000       9.097   15 
+    620000      124000.00      33.284      -8.732      24.552   7.82 0.143 0.500 0.170 2.031     301.967     370.000      10.525   15 
+    630000      126000.00      44.264     -15.759      28.504   7.15 0.143 0.333 0.182 1.921     401.583     370.000       8.573   15 
+    640000      128000.00      49.991       0.466      50.457   9.15 0.071 0.000 0.182 0.757     453.546     370.000      11.260   15 
+    650000      130000.00      40.724      -3.548      37.176   6.57 0.071 0.500 0.182 2.337     369.471     370.000      10.681   15 
+    660000      132000.00      42.809     -10.143      32.666   6.89 0.071 0.667 0.242 1.767     388.385     370.000       9.892   15 
+    670000      134000.00      45.729      -3.980      41.749   6.37 0.071 0.667 0.197 3.564     414.876     370.000       8.588   15 
+    680000      136000.00      34.262     -23.417      10.845   5.11 0.071 0.833 0.265 1.210     310.839     370.000       7.630   15 
+    690000      138000.00      52.187     -18.818      33.370   5.47 0.071 0.800 0.255 2.240     473.469     370.000       7.754   15 
+    700000      140000.00      44.255      -8.478      35.777   6.17 0.071 0.667 0.167 1.134     401.508     370.000       7.471   15 
+    710000      142000.00      51.588     -17.527      34.061   6.06 0.071 0.875 0.420 5.085     468.029     360.000       6.937   15 
+    720000      144000.00      34.616     -21.687      12.930   5.47 0.214 0.667 0.258 1.337     314.058     360.000       7.396   15 
+    730000      146000.00      40.472     -11.091      29.381   7.08 0.071 0.750 0.273 2.408     367.185     360.000       8.627   15 
+    740000      148000.00      48.320     -25.318      23.002   5.66 0.214 0.667 0.359 1.765     438.380     360.000       7.178   15 
+    750000      150000.00      41.882     -18.081      23.801   5.66 0.071 0.667 0.182 1.800     379.976     360.000       7.923   15 
+    760000      152000.00      47.885     -18.750      29.135   5.20 0.143 0.714 0.481 1.566     434.433     360.000       7.187   15 
+    770000      154000.00      40.537     -21.267      19.271   5.53 0.214 0.625 0.347 2.056     367.775     360.000       6.993   15 
+    780000      156000.00      49.952     -28.728      21.224   5.92 0.000 1.000 0.331 1.071     453.190     360.000       7.478   15 
+    790000      158000.00      32.950     -31.741       1.209   5.15 0.143 0.818 0.302 1.140     298.943     360.000       6.865   15 
+    800000      160000.00      37.782     -34.132       3.650   5.87 0.143 0.846 0.360 2.280     342.778     360.000       6.903   15 
+    810000      162000.00      38.354     -16.193      22.161   6.60 0.143 0.714 0.227 4.074     347.964     350.000       7.476   15 
+    820000      164000.00      39.059     -34.585       4.475   5.97 0.143 0.778 0.394 1.419     354.368     350.000       7.442   15 
+    830000      166000.00      38.588     -30.022       8.566   6.27 0.143 0.833 0.398 2.455     350.089     350.000       6.953   15 
+    840000      168000.00      44.084     -23.302      20.782   6.59 0.143 0.800 0.391 2.586     399.957     350.000       7.413   15 
+    850000      170000.00      34.591     -30.329       4.262   5.55 0.143 0.818 0.401 2.536     313.828     350.000       7.175   15 
+    860000      172000.00      36.649      -7.669      28.980   6.26 0.000 1.000 0.255 3.291     332.499     350.000       9.821   15 
+    870000      174000.00      40.882       4.414      45.296   7.57 0.071 0.500 0.182 1.685     370.905     350.000      11.516   15 
+    880000      176000.00      37.940     -21.261      16.679   8.25 0.000 1.000 0.205 2.386     344.207     350.000      11.363   15 
+    890000      178000.00      31.413      -3.428      27.985  10.87 0.071 0.000 0.136 1.089     284.992     350.000      14.298   15 
+    900000      180000.00      42.101      -4.572      37.529  10.97 0.000 1.000 0.227 3.171     381.960     350.000      13.779   15 
+    910000      182000.00      72.864      -0.011      72.853   7.48 0.071 0.500 0.182 1.370     661.060     400.000      11.720   15 
+    920000      184000.00      41.787      -3.481      38.306   8.33 0.071 0.500 0.205 2.900     379.117     400.000      11.359   15 
+    930000      186000.00      41.577      -3.533      38.045   8.57 0.071 0.667 0.136 1.239     377.210     400.000      10.786   15 
+    940000      188000.00      54.673      -2.995      51.679   6.63 0.071 0.000 0.136 1.176     496.024     400.000       9.393   15 
+    950000      190000.00      47.285     -11.849      35.436   6.04 0.000 1.000 0.682 2.053     428.990     400.000       9.109   15 
+    960000      192000.00      44.042       4.248      48.289   4.99 0.071 0.800 0.264 2.045     399.568     400.000       9.221   15 
+    970000      194000.00      49.316     -24.136      25.180   7.86 0.214 0.400 0.200 2.218     447.420     400.000      11.281   15 
+    980000      196000.00      48.120     -10.807      37.313   8.49 0.143 0.000 0.159 1.698     436.573     400.000      12.057   15 
+    990000      198000.00      41.574      -1.420      40.154   8.77 0.000   NaN   NaN 2.673     377.181     400.000      13.413   15 
+   1000000      200000.00      49.566      -7.419      42.147  10.04 0.143 0.333 0.152 2.708     449.685     400.000      13.343   15