Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres into adasko

[unres.git] / examples / unres / new / REMD / Langevin / ff_gab / 1L2Y_REMD_GB004.stat

diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB004.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB004.stat
deleted file mode 100644 (file)
index 26f13f3..0000000
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB004.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      31.128      21.268      52.396  12.87 0.000   NaN   NaN 0.936     282.408     290.000      15.552    4 
-     10000        2000.00      40.936     -17.049      23.887   9.70 0.000   NaN   NaN 1.934     371.394     290.000      13.562    4 
-     20000        4000.00      32.111     -17.934      14.177   8.73 0.000 1.000 0.227 2.562     291.331     290.000      11.879    4 
-     30000        6000.00      39.580     -13.375      26.205   8.21 0.071 0.667 0.227 3.836     359.087     290.000      11.805    4 
-     40000        8000.00      36.022     -19.792      16.230   7.39 0.000 1.000 0.273 1.914     326.809     290.000      10.840    4 
-     50000       10000.00      36.162     -11.059      25.102   5.78 0.000 1.000 0.489 1.856     328.076     290.000       9.372    4 
-     60000       12000.00      28.710     -11.164      17.546   6.04 0.000 1.000 0.427 1.130     260.469     290.000       8.328    4 
-     70000       14000.00      31.401     -20.683      10.718   5.71 0.071 0.857 0.344 1.715     284.885     290.000       8.906    4 
-     80000       16000.00      32.388     -26.210       6.178   6.41 0.000 1.000 0.482 2.204     293.840     290.000       8.571    4 
-     90000       18000.00      39.719     -41.636      -1.918   5.59 0.214 0.750 0.273 2.128     360.348     290.000       6.895    4 
-    100000       20000.00      35.239     -46.585     -11.346   5.93 0.286 0.692 0.297 2.601     319.706     290.000       6.909    4 
-    110000       22000.00      39.172     -46.763      -7.591   5.06 0.286 0.600 0.268 1.728     355.393     280.000       6.940    4 
-    120000       24000.00      26.168     -49.772     -23.604   5.33 0.357 0.615 0.227 1.622     237.414     280.000       6.941    4 
-    130000       26000.00      31.156     -51.582     -20.426   5.33 0.357 0.615 0.283 0.916     282.659     280.000       6.864    4 
-    140000       28000.00      31.428     -54.835     -23.407   4.85 0.357 0.667 0.358 1.211     285.134     280.000       6.752    4 
-    150000       30000.00      31.846     -51.099     -19.253   6.00 0.214 0.700 0.255 0.617     288.924     280.000       6.650    4 
-    160000       32000.00      27.523     -56.139     -28.616   5.88 0.286 0.765 0.390 1.256     249.699     280.000       6.606    4 
-    170000       34000.00      32.042     -54.643     -22.601   5.99 0.286 0.765 0.342 1.946     290.705     280.000       6.534    4 
-    180000       36000.00      26.096     -44.402     -18.305   5.69 0.214 0.800 0.330 1.966     236.759     280.000       6.886    4 
-    190000       38000.00      36.130     -50.497     -14.367   6.09 0.143 0.875 0.324 1.119     327.789     280.000       6.315    4 
-    200000       40000.00      33.971     -52.822     -18.851   6.29 0.286 0.733 0.267 1.292     308.203     280.000       6.665    4 
-    210000       42000.00      45.259     -55.162      -9.903   6.23 0.143 0.867 0.358 2.000     410.615     270.000       6.540    4 
-    220000       44000.00      29.713     -39.325      -9.612   6.22 0.286 0.750 0.332 2.341     269.576     270.000       6.677    4 
-    230000       46000.00      36.488     -55.470     -18.983   5.93 0.214 0.786 0.312 3.333     331.036     270.000       6.613    4 
-    240000       48000.00      27.191     -67.746     -40.555   5.95 0.286 0.750 0.327 2.239     246.690     270.000       6.484    4 
-    250000       50000.00      32.227     -60.495     -28.268   5.93 0.357 0.750 0.368 1.039     292.381     270.000       6.359    4 
-    260000       52000.00      54.220     -42.130      12.091   6.04 0.214 0.727 0.343 1.590     491.915     270.000       6.861    4 
-    270000       54000.00      31.961     -60.670     -28.709   6.09 0.214 0.833 0.313 2.894     289.968     270.000       6.495    4 
-    280000       56000.00      30.030     -49.348     -19.318   6.27 0.286 0.789 0.316 2.055     272.444     270.000       6.536    4 
-    290000       58000.00      27.851     -54.982     -27.131   5.87 0.214 0.786 0.299 1.105     252.679     270.000       6.515    4 
-    300000       60000.00      38.976     -47.639      -8.663   5.36 0.071 0.917 0.364 1.775     353.611     270.000       6.724    4 
-    310000       62000.00      36.314     -47.119     -10.805   4.89 0.357 0.500 0.186 1.262     329.457     300.000       7.450    4 
-    320000       64000.00      30.210     -44.958     -14.748   5.06 0.357 0.583 0.292 1.465     274.083     300.000       6.723    4 
-    330000       66000.00      36.630     -39.922      -3.292   4.61 0.214 0.750 0.356 3.068     332.329     300.000       6.862    4 
-    340000       68000.00      36.928     -48.177     -11.248   4.94 0.286 0.733 0.339 2.634     335.034     300.000       6.307    4 
-    350000       70000.00      30.148     -25.780       4.367   5.09 0.214 0.769 0.364 1.581     273.515     300.000       7.082    4 
-    360000       72000.00      35.380     -39.497      -4.117   5.35 0.214 0.786 0.383 2.433     320.990     300.000       6.564    4 
-    370000       74000.00      26.650     -40.983     -14.333   4.74 0.143 0.818 0.508 1.862     241.783     300.000       6.792    4 
-    380000       76000.00      36.004     -31.696       4.308   5.25 0.214 0.750 0.341 1.255     326.646     300.000       7.463    4 
-    390000       78000.00      37.614     -40.620      -3.006   5.58 0.143 0.833 0.379 4.277     341.256     300.000       7.431    4 
-    400000       80000.00      28.623     -40.824     -12.201   5.62 0.143 0.857 0.370 1.572     259.682     300.000       6.708    4 
-    410000       82000.00      42.673     -39.459       3.214   5.22 0.286 0.714 0.325 1.254     387.153     320.000       6.903    4 
-    420000       84000.00      35.144     -31.423       3.722   4.40 0.143 0.750 0.261 1.789     318.849     320.000       7.210    4 
-    430000       86000.00      50.206     -30.948      19.258   6.18 0.000 1.000 0.216 2.544     455.499     320.000       7.661    4 
-    440000       88000.00      45.181     -29.296      15.885   5.66 0.286 0.636 0.269 2.280     409.906     320.000       6.976    4 
-    450000       90000.00      33.916     -32.990       0.926   5.82 0.143 0.714 0.266 1.244     307.705     320.000       7.147    4 
-    460000       92000.00      36.764     -34.075       2.689   6.63 0.214 0.700 0.286 1.600     333.545     320.000       6.706    4 
-    470000       94000.00      44.959     -33.178      11.781   6.13 0.286 0.714 0.260 2.579     407.889     320.000       6.965    4 
-    480000       96000.00      36.331     -40.703      -4.372   7.05 0.214 0.727 0.236 4.201     329.617     320.000       7.546    4 
-    490000       98000.00      32.604     -30.410       2.194   6.01 0.143 0.818 0.306 1.487     295.798     320.000       7.002    4 
-    500000      100000.00      34.274     -26.928       7.347   6.26 0.143 0.800 0.282 2.032     310.955     320.000       6.787    4 
-    510000      102000.00      36.352     -39.322      -2.970   5.75 0.286 0.636 0.318 1.631     329.806     310.000       6.779    4 
-    520000      104000.00      42.978     -39.201       3.776   4.85 0.214 0.625 0.273 1.559     389.915     310.000       7.598    4 
-    530000      106000.00      40.849     -40.684       0.165   4.78 0.286 0.667 0.269 2.461     370.601     310.000       7.419    4 
-    540000      108000.00      39.221     -40.054      -0.832   5.66 0.214 0.727 0.339 1.465     355.836     310.000       6.655    4 
-    550000      110000.00      42.133     -25.509      16.624   5.89 0.071 0.833 0.333 1.526     382.255     310.000       7.720    4 
-    560000      112000.00      31.163     -30.998       0.165   6.32 0.071 0.875 0.403 2.573     282.725     310.000       6.989    4 
-    570000      114000.00      36.206     -40.725      -4.519   5.73 0.286 0.636 0.351 2.118     328.480     310.000       6.698    4 
-    580000      116000.00      42.815     -40.122       2.692   5.23 0.357 0.500 0.305 1.273     388.437     310.000       7.170    4 
-    590000      118000.00      34.628     -30.637       3.992   5.95 0.214 0.800 0.388 2.474     314.167     310.000       6.996    4 
-    600000      120000.00      41.257     -30.317      10.940   5.96 0.286 0.636 0.339 1.929     374.305     310.000       7.038    4 
-    610000      122000.00      31.512     -47.469     -15.957   5.52 0.214 0.750 0.250 1.300     285.894     300.000       6.940    4 
-    620000      124000.00      33.972     -40.951      -6.979   5.83 0.214 0.750 0.364 2.502     308.210     300.000       7.049    4 
-    630000      126000.00      40.196     -39.329       0.867   5.56 0.286 0.667 0.330 1.248     364.680     300.000       6.916    4 
-    640000      128000.00      36.299     -45.057      -8.758   5.64 0.286 0.667 0.326 2.458     329.328     300.000       7.179    4 
-    650000      130000.00      41.526     -35.532       5.994   5.85 0.429 0.600 0.370 1.659     376.745     300.000       7.130    4 
-    660000      132000.00      35.090     -39.489      -4.398   6.53 0.214 0.700 0.341 3.504     318.357     300.000       6.766    4 
-    670000      134000.00      27.509     -51.800     -24.291   4.22 0.357 0.583 0.227 1.355     249.572     300.000       7.117    4 
-    680000      136000.00      33.534     -44.101     -10.567   5.01 0.357 0.583 0.314 1.425     304.239     300.000       6.770    4 
-    690000      138000.00      41.580     -42.443      -0.863   5.80 0.286 0.600 0.350 1.805     377.236     300.000       6.855    4 
-    700000      140000.00      30.606     -39.706      -9.099   4.52 0.143 0.800 0.223 1.392     277.678     300.000       7.055    4 
-    710000      142000.00      37.602     -46.291      -8.689   4.57 0.286 0.692 0.266 1.365     341.147     290.000       6.815    4 
-    720000      144000.00      35.852     -49.371     -13.519   4.55 0.429 0.625 0.298 1.780     325.269     290.000       6.725    4 
-    730000      146000.00      32.585     -51.944     -19.359   5.91 0.143 0.846 0.304 1.256     295.632     290.000       6.521    4 
-    740000      148000.00      38.074     -44.718      -6.645   4.80 0.214 0.571 0.253 1.868     345.425     290.000       6.939    4 
-    750000      150000.00      35.296     -46.868     -11.572   5.84 0.286 0.667 0.341 1.092     320.222     290.000       6.639    4 
-    760000      152000.00      28.178     -48.501     -20.323   5.81 0.286 0.714 0.315 2.078     255.647     290.000       6.835    4 
-    770000      154000.00      27.459     -36.466      -9.007   6.51 0.357 0.583 0.250 1.938     249.123     290.000       7.432    4 
-    780000      156000.00      35.741     -37.035      -1.293   4.71 0.286 0.692 0.378 1.638     324.264     290.000       7.254    4 
-    790000      158000.00      30.798     -49.442     -18.644   5.22 0.214 0.833 0.341 1.207     279.413     290.000       6.764    4 
-    800000      160000.00      29.547     -60.856     -31.309   4.65 0.357 0.722 0.311 1.501     268.068     290.000       6.569    4 
-    810000      162000.00      38.935     -57.680     -18.745   4.90 0.357 0.688 0.327 1.502     353.235     280.000       6.862    4 
-    820000      164000.00      35.361     -53.838     -18.478   6.76 0.214 0.812 0.312 1.602     320.810     280.000       6.548    4 
-    830000      166000.00      28.432     -54.473     -26.041   5.36 0.214 0.750 0.265 1.130     257.953     280.000       6.504    4 
-    840000      168000.00      26.698     -48.430     -21.732   5.74 0.214 0.750 0.284 1.342     242.218     280.000       6.524    4 
-    850000      170000.00      32.060     -47.772     -15.713   4.90 0.357 0.722 0.364 2.445     290.862     280.000       6.643    4 
-    860000      172000.00      37.746     -57.554     -19.808   5.56 0.357 0.706 0.332 1.293     342.451     280.000       6.917    4 
-    870000      174000.00      33.899     -54.792     -20.893   6.30 0.286 0.714 0.282 1.802     307.550     280.000       6.735    4 
-    880000      176000.00      34.354     -48.254     -13.900   5.34 0.286 0.714 0.383 1.168     311.675     280.000       6.679    4 
-    890000      178000.00      34.929     -42.387      -7.458   6.56 0.286 0.667 0.269 2.544     316.897     280.000       6.708    4 
-    900000      180000.00      34.937     -44.624      -9.687   5.54 0.429 0.625 0.355 0.976     316.971     280.000       6.413    4 
-    910000      182000.00      33.873     -43.319      -9.446   6.10 0.214 0.727 0.215 0.761     307.311     290.000       7.165    4 
-    920000      184000.00      32.882     -55.902     -23.020   5.47 0.429 0.625 0.295 1.044     298.327     290.000       6.690    4 
-    930000      186000.00      26.698     -47.326     -20.627   5.61 0.429 0.500 0.242 2.036     242.220     290.000       6.953    4 
-    940000      188000.00      34.815     -44.454      -9.639   5.36 0.286 0.636 0.310 2.519     315.859     290.000       7.032    4 
-    950000      190000.00      31.880     -52.056     -20.177   6.65 0.286 0.667 0.261 1.338     289.230     290.000       6.948    4 
-    960000      192000.00      28.403     -53.309     -24.906   5.01 0.500 0.562 0.250 1.213     257.685     290.000       7.099    4 
-    970000      194000.00      30.508     -42.689     -12.181   4.98 0.286 0.692 0.350 2.536     276.785     290.000       6.741    4 
-    980000      196000.00      34.659     -48.087     -13.428   4.57 0.357 0.643 0.315 2.168     314.444     290.000       6.880    4 
-    990000      198000.00      38.788     -49.353     -10.565   5.27 0.071 0.923 0.259 1.675     351.905     290.000       6.688    4 
-   1000000      200000.00      32.707     -42.398      -9.691   5.08 0.286 0.636 0.198 1.397     296.736     290.000       7.324    4