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

[unres.git] / examples / unres / new / REMD / Langevin / ff_gab / 1L2Y_REMD_GB003.stat

diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB003.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB003.stat
deleted file mode 100644 (file)
index 3301785..0000000
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB003.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      29.700      21.317      51.016  12.87 0.000   NaN   NaN 0.936     269.453     280.000      15.552    3 
-     10000        2000.00      33.691     -19.101      14.589  11.65 0.000   NaN   NaN 1.319     305.660     280.000      15.744    3 
-     20000        4000.00      35.763     -14.911      20.852  10.60 0.071 0.500 0.159 2.506     324.460     280.000      14.551    3 
-     30000        6000.00      34.225     -10.472      23.753  10.59 0.000   NaN   NaN 1.183     310.504     280.000      14.867    3 
-     40000        8000.00      36.036     -23.339      12.697   9.79 0.071 0.667 0.182 2.036     326.933     280.000      12.393    3 
-     50000       10000.00      30.533     -26.400       4.132   8.63 0.071 0.667 0.152 2.658     277.010     280.000      11.977    3 
-     60000       12000.00      36.649     -34.152       2.497   8.62 0.357 0.545 0.236 1.452     332.499     280.000      10.598    3 
-     70000       14000.00      31.224     -47.105     -15.881   7.28 0.357 0.500 0.168 1.941     283.281     280.000       9.882    3 
-     80000       16000.00      41.822     -55.583     -13.761   5.60 0.429 0.571 0.224 0.691     379.428     280.000       7.107    3 
-     90000       18000.00      32.226     -54.448     -22.223   6.17 0.357 0.667 0.279 1.067     292.367     280.000       6.880    3 
-    100000       20000.00      35.817     -47.299     -11.482   5.58 0.286 0.733 0.333 2.407     324.951     280.000       6.750    3 
-    110000       22000.00      30.565     -52.307     -21.741   5.34 0.214 0.750 0.436 2.394     277.304     270.000       6.993    3 
-    120000       24000.00      35.172     -55.858     -20.686   5.67 0.429 0.647 0.329 1.862     319.099     270.000       6.726    3 
-    130000       26000.00      28.397     -55.975     -27.579   5.22 0.286 0.692 0.360 1.024     257.630     270.000       7.110    3 
-    140000       28000.00      34.671     -50.766     -16.095   4.83 0.429 0.625 0.321 2.501     314.557     270.000       6.717    3 
-    150000       30000.00      26.206     -51.723     -25.517   5.43 0.214 0.727 0.322 0.938     237.754     270.000       6.445    3 
-    160000       32000.00      29.202     -56.508     -27.306   6.40 0.214 0.833 0.376 1.805     264.934     270.000       6.356    3 
-    170000       34000.00      28.911     -60.912     -32.001   6.26 0.286 0.765 0.361 1.521     262.300     270.000       6.281    3 
-    180000       36000.00      37.038     -56.695     -19.657   6.62 0.214 0.833 0.341 3.380     336.024     270.000       6.549    3 
-    190000       38000.00      28.893     -58.467     -29.573   6.70 0.286 0.692 0.199 1.652     262.135     270.000       7.346    3 
-    200000       40000.00      24.827     -64.255     -39.428   6.30 0.214 0.769 0.238 2.096     225.242     270.000       6.948    3 
-    210000       42000.00      30.568     -59.609     -29.041   6.44 0.286 0.667 0.208 0.996     277.330     260.000       7.558    3 
-    220000       44000.00      28.652     -54.310     -25.657   5.27 0.357 0.615 0.206 1.669     259.950     260.000       7.484    3 
-    230000       46000.00      29.949     -51.611     -21.662   3.06 0.429 0.571 0.185 1.419     271.713     260.000       7.774    3 
-    240000       48000.00      34.025     -57.763     -23.738   3.20 0.429 0.625 0.185 0.958     308.692     260.000       7.258    3 
-    250000       50000.00      24.791     -58.425     -33.634   3.70 0.357 0.615 0.203 2.658     224.919     260.000       7.279    3 
-    260000       52000.00      28.331     -56.433     -28.102   3.47 0.357 0.688 0.227 1.809     257.034     260.000       6.772    3 
-    270000       54000.00      29.138     -55.526     -26.388   3.04 0.357 0.583 0.345 1.015     264.356     260.000       6.385    3 
-    280000       56000.00      27.463     -61.111     -33.647   2.19 0.429 0.647 0.297 1.402     249.162     260.000       6.592    3 
-    290000       58000.00      34.238     -62.344     -28.106   1.92 0.429 0.647 0.377 2.348     310.628     260.000       6.400    3 
-    300000       60000.00      26.247     -59.664     -33.418   2.19 0.429 0.625 0.284 1.427     238.124     260.000       6.609    3 
-    310000       62000.00      20.864     -63.792     -42.928   2.45 0.357 0.706 0.283 2.004     189.284     250.000       6.396    3 
-    320000       64000.00      23.527     -59.489     -35.961   2.89 0.429 0.684 0.323 1.481     213.452     250.000       6.219    3 
-    330000       66000.00      28.700     -69.346     -40.646   2.31 0.500 0.611 0.301 0.937     260.381     250.000       6.357    3 
-    340000       68000.00      26.170     -66.588     -40.417   2.29 0.571 0.579 0.289 1.301     237.431     250.000       6.293    3 
-    350000       70000.00      33.250     -66.848     -33.597   2.43 0.286 0.750 0.318 2.975     301.665     250.000       6.437    3 
-    360000       72000.00      31.378     -63.039     -31.661   1.99 0.357 0.667 0.255 1.112     284.674     250.000       6.327    3 
-    370000       74000.00      38.278     -62.515     -24.237   2.13 0.429 0.600 0.258 0.977     347.276     250.000       6.541    3 
-    380000       76000.00      32.026     -61.355     -29.330   1.85 0.500 0.533 0.248 2.236     290.552     250.000       6.786    3 
-    390000       78000.00      27.631     -65.537     -37.906   2.44 0.357 0.615 0.248 2.085     250.684     250.000       6.630    3 
-    400000       80000.00      28.668     -67.828     -39.161   2.46 0.500 0.533 0.303 1.789     260.088     250.000       6.816    3 
-    410000       82000.00      27.147     -69.220     -42.073   1.94 0.429 0.684 0.301 0.901     246.288     250.000       6.597    3 
-    420000       84000.00      35.311     -58.972     -23.661   2.01 0.429 0.600 0.333 1.111     320.360     250.000       6.434    3 
-    430000       86000.00      31.948     -56.678     -24.730   1.79 0.429 0.625 0.315 1.449     289.851     250.000       6.382    3 
-    440000       88000.00      29.466     -76.329     -46.863   1.62 0.500 0.588 0.307 1.935     267.330     250.000       6.425    3 
-    450000       90000.00      28.262     -74.529     -46.267   2.11 0.500 0.462 0.259 1.127     256.408     250.000       6.433    3 
-    460000       92000.00      24.082     -63.104     -39.023   2.37 0.357 0.706 0.294 1.377     218.482     250.000       6.369    3 
-    470000       94000.00      35.238     -67.747     -32.508   2.42 0.286 0.733 0.288 1.445     319.701     250.000       6.501    3 
-    480000       96000.00      23.181     -56.046     -32.865   2.43 0.429 0.625 0.202 1.478     210.310     250.000       6.663    3 
-    490000       98000.00      25.341     -68.874     -43.533   2.14 0.357 0.667 0.345 1.758     229.907     250.000       6.369    3 
-    500000      100000.00      34.569     -59.911     -25.342   1.83 0.571 0.467 0.236 1.648     313.628     250.000       6.916    3 
-    510000      102000.00      25.231     -71.883     -46.652   2.74 0.643 0.625 0.343 3.008     228.912     250.000       6.135    3 
-    520000      104000.00      28.079     -69.509     -41.430   2.34 0.643 0.571 0.333 1.228     254.752     250.000       6.353    3 
-    530000      106000.00      23.893     -66.664     -42.771   2.58 0.571 0.600 0.332 2.091     216.771     250.000       6.327    3 
-    540000      108000.00      31.322     -75.279     -43.957   2.31 0.357 0.688 0.321 0.835     284.172     250.000       6.489    3 
-    550000      110000.00      27.489     -78.214     -50.725   2.55 0.714 0.600 0.356 1.776     249.394     250.000       6.158    3 
-    560000      112000.00      27.958     -66.050     -38.092   2.54 0.643 0.609 0.350 1.113     253.647     250.000       6.218    3 
-    570000      114000.00      28.647     -69.972     -41.325   2.35 0.429 0.667 0.263 1.907     259.900     250.000       6.364    3 
-    580000      116000.00      33.436     -67.915     -34.479   2.39 0.643 0.471 0.299 1.344     303.352     250.000       6.457    3 
-    590000      118000.00      25.625     -71.306     -45.681   2.94 0.714 0.474 0.249 1.805     232.483     250.000       6.504    3 
-    600000      120000.00      36.775     -56.916     -20.141   2.69 0.429 0.647 0.251 1.444     333.645     250.000       6.677    3 
-    610000      122000.00      26.169     -68.934     -42.765   2.15 0.500 0.611 0.283 1.241     237.423     260.000       6.706    3 
-    620000      124000.00      28.795     -64.374     -35.579   2.42 0.571 0.529 0.257 2.178     261.247     260.000       6.501    3 
-    630000      126000.00      25.490     -62.975     -37.485   2.29 0.643 0.438 0.290 1.047     231.256     260.000       6.517    3 
-    640000      128000.00      28.947     -50.409     -21.462   2.40 0.500 0.500 0.214 1.888     262.623     260.000       6.823    3 
-    650000      130000.00      23.045     -63.135     -40.090   3.14 0.429 0.647 0.286 2.233     209.073     260.000       6.572    3 
-    660000      132000.00      36.678     -67.771     -31.093   2.62 0.500 0.462 0.206 3.033     332.763     260.000       6.721    3 
-    670000      134000.00      27.432     -58.149     -30.717   2.16 0.500 0.462 0.325 1.209     248.877     260.000       6.455    3 
-    680000      136000.00      27.025     -60.034     -33.009   2.34 0.643 0.571 0.249 1.563     245.182     260.000       6.481    3 
-    690000      138000.00      25.142     -64.295     -39.153   2.82 0.643 0.571 0.288 0.935     228.104     260.000       6.245    3 
-    700000      140000.00      26.893     -66.060     -39.167   2.64 0.500 0.611 0.318 1.469     243.987     260.000       6.413    3 
-    710000      142000.00      38.737     -68.099     -29.362   3.19 0.429 0.667 0.331 1.598     351.442     250.000       6.348    3 
-    720000      144000.00      30.392     -63.086     -32.694   2.83 0.500 0.533 0.227 1.970     275.732     250.000       6.815    3 
-    730000      146000.00      30.327     -72.629     -42.302   2.12 0.500 0.500 0.286 1.529     275.141     250.000       6.954    3 
-    740000      148000.00      26.328     -72.377     -46.050   1.97 0.643 0.438 0.253 0.978     238.858     250.000       6.866    3 
-    750000      150000.00      33.467     -71.935     -38.469   2.01 0.571 0.500 0.256 2.687     303.628     250.000       6.482    3 
-    760000      152000.00      32.825     -67.588     -34.762   2.52 0.714 0.444 0.290 1.935     297.807     250.000       6.503    3 
-    770000      154000.00      33.408     -60.630     -27.222   3.37 0.643 0.500 0.247 1.673     303.091     250.000       6.498    3 
-    780000      156000.00      39.584     -73.092     -33.508   2.48 0.714 0.500 0.318 1.222     359.127     250.000       6.211    3 
-    790000      158000.00      21.539     -59.931     -38.392   2.39 0.429 0.538 0.269 1.550     195.410     250.000       6.522    3 
-    800000      160000.00      26.026     -72.682     -46.656   1.83 0.714 0.412 0.286 1.307     236.117     250.000       6.735    3 
-    810000      162000.00      27.472     -68.402     -40.930   2.26 0.786 0.476 0.329 2.879     249.241     250.000       6.217    3 
-    820000      164000.00      26.830     -58.062     -31.232   2.51 0.643 0.526 0.256 3.240     243.415     250.000       6.385    3 
-    830000      166000.00      30.614     -68.635     -38.021   2.21 0.571 0.467 0.273 0.868     277.744     250.000       6.602    3 
-    840000      168000.00      29.203     -65.563     -36.359   2.84 0.643 0.438 0.273 1.451     264.948     250.000       6.888    3 
-    850000      170000.00      31.378     -68.624     -37.246   3.11 0.357 0.615 0.283 1.126     284.677     250.000       6.561    3 
-    860000      172000.00      32.723     -59.134     -26.411   2.50 0.571 0.429 0.231 1.322     296.879     250.000       6.374    3 
-    870000      174000.00      31.457     -66.253     -34.795   3.29 0.429 0.500 0.220 0.708     285.397     250.000       6.535    3 
-    880000      176000.00      28.911     -58.146     -29.235   2.14 0.143 0.800 0.336 1.403     262.297     250.000       6.754    3 
-    890000      178000.00      28.555     -69.795     -41.240   2.16 0.500 0.650 0.318 1.361     259.065     250.000       6.462    3 
-    900000      180000.00      27.468     -66.608     -39.140   2.48 0.571 0.600 0.282 1.916     249.203     250.000       6.244    3 
-    910000      182000.00      28.063     -66.219     -38.155   2.51 0.643 0.591 0.318 1.812     254.604     250.000       6.178    3 
-    920000      184000.00      29.228     -72.114     -42.887   2.12 0.500 0.500 0.299 1.773     265.167     250.000       6.428    3 
-    930000      186000.00      24.445     -70.762     -46.316   2.64 0.500 0.632 0.294 2.185     221.781     250.000       6.389    3 
-    940000      188000.00      24.382     -78.159     -53.777   2.04 0.571 0.529 0.321 1.325     221.203     250.000       6.423    3 
-    950000      190000.00      26.748     -72.398     -45.650   2.10 0.571 0.636 0.304 1.806     242.675     250.000       6.443    3 
-    960000      192000.00      25.555     -65.952     -40.397   2.19 0.571 0.579 0.306 1.329     231.847     250.000       6.439    3 
-    970000      194000.00      21.775     -71.755     -49.980   2.92 0.714 0.600 0.325 2.782     197.556     250.000       6.109    3 
-    980000      196000.00      28.804     -63.653     -34.849   2.57 0.643 0.591 0.326 1.994     261.327     250.000       6.277    3 
-    990000      198000.00      26.312     -71.122     -44.809   2.13 0.571 0.619 0.294 2.771     238.718     250.000       6.482    3 
-   1000000      200000.00      20.929     -72.119     -51.190   2.00 0.429 0.600 0.279 1.605     189.877     250.000       6.491    3