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

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB044.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat
deleted file mode 100644 (file)
index 79e44d7..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB044.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      29.889     113.174     143.064  12.87 0.000   NaN   NaN 4.850     271.171     360.000      15.552   44 
-     10000        2000.00      31.097      12.066      43.163   4.97 0.286 0.500 0.347 0.390     282.127     360.000       7.901   44 
-     20000        4000.00      40.739       7.321      48.060   7.28 0.000 1.000 0.290 0.602     369.603     360.000       7.869   44 
-     30000        6000.00      39.568       7.474      47.042   5.44 0.071 0.667 0.697 0.326     358.985     360.000       7.909   44 
-     40000        8000.00      41.203       7.494      48.697   8.12 0.071 0.833 0.258 0.704     373.816     360.000       9.455   44 
-     50000       10000.00      32.493       1.835      34.328   4.95 0.000 1.000 0.318 0.426     294.791     360.000       7.684   44 
-     60000       12000.00      43.043       6.709      49.752   5.37 0.214 0.727 0.248 0.373     390.507     360.000       7.398   44 
-     70000       14000.00      34.158       7.884      42.041   5.12 0.071 0.875 0.415 0.338     309.895     360.000       7.788   44 
-     80000       16000.00      39.921      10.867      50.788   4.84 0.071 0.800 0.264 0.540     362.184     360.000       7.983   44 
-     90000       18000.00      39.029       8.628      47.657   6.73 0.143 0.500 0.170 0.619     354.093     360.000       8.352   44 
-    100000       20000.00      33.325       8.177      41.501   3.65 0.214 0.500 0.182 0.662     302.339     360.000       8.006   44 
-    110000       22000.00      38.224       8.647      46.871   7.48 0.071 0.750 0.193 0.510     346.789     360.000       9.907   44 
-    120000       24000.00      30.266      15.055      45.321   7.56 0.071 0.500 0.159 0.501     274.589     360.000      11.137   44 
-    130000       26000.00      36.487       2.222      38.709   4.48 0.143 0.778 0.318 0.548     331.028     360.000       7.434   44 
-    140000       28000.00      40.866       4.563      45.429   4.86 0.000 1.000 0.284 0.478     370.757     360.000       8.136   44 
-    150000       30000.00      42.599      17.415      60.015   5.47 0.071 0.000 0.136 0.501     386.481     360.000       9.365   44 
-    160000       32000.00      28.625      16.832      45.457   7.68 0.071 0.667 0.288 0.377     259.699     360.000       9.816   44 
-    170000       34000.00      44.368       5.910      50.278   5.88 0.071 0.667 0.258 0.312     402.530     360.000       8.790   44 
-    180000       36000.00      40.892      15.192      56.084   8.41 0.071 0.000 0.136 0.578     370.993     360.000      12.859   44 
-    190000       38000.00      39.407       3.965      43.372   7.96 0.071 0.800 0.200 0.615     357.525     360.000      10.154   44 
-    200000       40000.00      33.261       9.467      42.728   7.18 0.071 0.667 0.182 0.494     301.761     360.000      10.947   44 
-    210000       42000.00      33.236       6.681      39.917   5.00 0.071 0.875 0.216 0.161     301.537     360.000       8.205   44 
-    220000       44000.00      40.551       7.668      48.219   5.28 0.143 0.667 0.295 0.653     367.897     360.000       7.652   44 
-    230000       46000.00      35.101       6.592      41.693   6.23 0.071 0.800 0.155 1.025     318.459     360.000       9.694   44 
-    240000       48000.00      32.470      12.179      44.650   8.85 0.071 0.750 0.170 0.859     294.589     360.000      10.754   44 
-    250000       50000.00      43.152       8.057      51.209   9.48 0.000 1.000 0.159 0.578     391.497     360.000      12.287   44 
-    260000       52000.00      41.424      -6.868      34.556   6.30 0.143 0.750 0.199 0.462     375.824     360.000       7.972   44 
-    270000       54000.00      39.569      -0.181      39.388   5.29 0.214 0.769 0.371 0.414     358.990     360.000       6.819   44 
-    280000       56000.00      33.420      -4.626      28.794   4.31 0.071 0.900 0.318 0.241     303.200     360.000       6.897   44 
-    290000       58000.00      40.737       5.323      46.060   6.42 0.071 0.500 0.205 0.453     369.585     360.000       8.754   44 
-    300000       60000.00      35.008       5.080      40.088   9.17 0.143 0.333 0.152 0.244     317.610     360.000      12.121   44 
-    310000       62000.00      36.982       9.540      46.523   6.24 0.071 0.667 0.227 0.328     335.523     390.000       9.437   44 
-    320000       64000.00      42.425       7.726      50.151   8.84 0.000 1.000 0.182 0.451     384.901     390.000      11.478   44 
-    330000       66000.00      41.997       9.441      51.438   6.01 0.000 1.000 0.424 0.409     381.018     390.000       7.581   44 
-    340000       68000.00      38.996      15.649      54.646   6.41 0.000 1.000 0.216 0.664     353.793     390.000       8.749   44 
-    350000       70000.00      34.164      13.959      48.123   5.07 0.071 0.833 0.515 0.864     309.956     390.000       8.543   44 
-    360000       72000.00      26.338      18.845      45.183  10.75 0.071 0.500 0.136 1.012     238.950     390.000      13.330   44 
-    370000       74000.00      40.669      -4.002      36.667   6.68 0.000 1.000 0.409 0.426     368.971     390.000       7.927   44 
-    380000       76000.00      38.710       8.911      47.621   5.89 0.143 0.600 0.309 0.223     351.193     390.000       7.496   44 
-    390000       78000.00      44.275      13.681      57.956   4.71 0.143 0.333 0.136 0.870     401.686     390.000       8.552   44 
-    400000       80000.00      36.109      20.522      56.631   5.57 0.000 1.000 0.500 0.684     327.601     390.000       8.634   44 
-    410000       82000.00      44.113       8.808      52.921  10.74 0.071 0.000 0.136 0.692     400.216     400.000      13.322   44 
-    420000       84000.00      32.486      13.245      45.731   7.28 0.071 0.667 0.167 0.947     294.727     400.000      10.381   44 
-    430000       86000.00      49.291       7.246      56.537   8.04 0.000 1.000 0.182 0.495     447.194     400.000       9.856   44 
-    440000       88000.00      48.225      10.866      59.091   8.28 0.071 0.667 0.136 1.342     437.526     400.000      12.791   44 
-    450000       90000.00      46.959      14.126      61.085   6.95 0.071 0.833 0.212 0.584     426.034     400.000       9.510   44 
-    460000       92000.00      45.806      14.329      60.135   5.51 0.143 0.750 0.205 0.308     415.578     400.000       8.560   44 
-    470000       94000.00      46.136      12.743      58.879   9.62 0.071 0.000 0.136 0.786     418.570     400.000      12.419   44 
-    480000       96000.00      45.618      23.025      68.643   6.06 0.000 1.000 0.136 0.871     413.867     400.000       9.408   44 
-    490000       98000.00      43.802      -2.135      41.668   5.21 0.000 1.000 0.485 1.073     397.399     400.000       7.804   44 
-    500000      100000.00      42.975       9.918      52.893   8.01 0.000   NaN   NaN 0.211     389.893     400.000      10.174   44 
-    510000      102000.00      47.002      17.975      64.978   6.81 0.000   NaN   NaN 0.632     426.431     400.000       9.803   44 
-    520000      104000.00      41.450       7.742      49.192   6.29 0.071 0.800 0.391 0.456     376.058     400.000       8.265   44 
-    530000      106000.00      25.708       2.728      28.436   5.43 0.000 1.000 0.200 0.344     233.239     400.000       8.094   44 
-    540000      108000.00      38.104       5.431      43.535   8.23 0.143 0.333 0.182 0.614     345.702     400.000       9.115   44 
-    550000      110000.00      40.540      15.492      56.032   7.24 0.071 0.750 0.159 0.556     367.797     400.000      10.877   44 
-    560000      112000.00      38.207       6.592      44.799   5.89 0.000   NaN   NaN 0.369     346.634     400.000      10.268   44 
-    570000      114000.00      46.310      13.643      59.954   9.96 0.000 1.000 0.136 1.193     420.149     400.000      13.808   44 
-    580000      116000.00      44.453      17.680      62.133   6.16 0.071 0.750 0.182 0.618     403.303     400.000       8.347   44 
-    590000      118000.00      43.511       6.395      49.906   6.14 0.071 0.833 0.280 0.575     394.752     400.000       9.639   44 
-    600000      120000.00      47.434      12.264      59.698   4.26 0.143 0.333 0.348 1.134     430.344     400.000       9.226   44 
-    610000      122000.00      32.093       3.567      35.660   5.62 0.000 1.000 0.273 1.312     291.165     400.000       9.407   44 
-    620000      124000.00      37.154      18.596      55.749   8.14 0.000   NaN   NaN 0.375     337.077     400.000      12.354   44 
-    630000      126000.00      43.130      10.851      53.981   8.66 0.071 0.500 0.227 0.703     391.295     400.000      10.639   44 
-    640000      128000.00      43.273      18.576      61.850   5.16 0.071 0.750 0.261 0.470     392.598     400.000       8.817   44 
-    650000      130000.00      39.751       8.959      48.710   9.02 0.071 0.000 0.136 0.669     360.639     400.000      12.907   44 
-    660000      132000.00      38.077       6.688      44.765   6.90 0.000 1.000 0.227 0.646     345.452     400.000       9.504   44 
-    670000      134000.00      35.427       9.061      44.488   5.80 0.000 1.000 0.636 0.264     321.410     400.000       9.137   44 
-    680000      136000.00      36.954      10.060      47.013   6.29 0.071 0.857 0.442 0.939     335.265     400.000       8.189   44 
-    690000      138000.00      42.659       6.453      49.112   6.75 0.143 0.714 0.286 0.189     387.023     400.000       7.734   44 
-    700000      140000.00      50.824      24.117      74.940   9.99 0.071 0.750 0.170 1.401     461.098     400.000      12.757   44 
-    710000      142000.00      43.579      21.321      64.899   7.77 0.071 0.750 0.193 0.439     395.367     380.000       9.774   44 
-    720000      144000.00      44.985       5.815      50.800   7.65 0.000 1.000 0.295 0.246     408.129     380.000       9.799   44 
-    730000      146000.00      41.928      16.786      58.714   8.09 0.071 0.800 0.327 0.824     380.394     380.000       9.431   44 
-    740000      148000.00      36.985      13.489      50.474   6.32 0.000 1.000 0.236 1.448     335.545     380.000       8.714   44 
-    750000      150000.00      44.510       2.700      47.210   6.61 0.000 1.000 0.220 0.362     403.818     380.000      10.008   44 
-    760000      152000.00      42.520       3.392      45.911   4.83 0.071 0.750 0.318 1.040     385.761     380.000       8.558   44 
-    770000      154000.00      37.159       6.508      43.668   5.92 0.071 0.667 0.197 0.512     337.129     380.000       8.610   44 
-    780000      156000.00      42.716      -5.522      37.193   5.74 0.214 0.500 0.265 0.989     387.537     380.000       6.883   44 
-    790000      158000.00      41.532       9.870      51.402   7.96 0.214 0.625 0.239 0.439     376.795     380.000       8.308   44 
-    800000      160000.00      38.780       2.245      41.025   5.34 0.071 0.857 0.383 0.870     351.837     380.000       7.698   44 
-    810000      162000.00      44.820      16.330      61.149  11.87 0.000 1.000 0.136 0.797     406.629     380.000      15.727   44 
-    820000      164000.00      32.915       9.312      42.227   6.62 0.000 1.000 0.159 0.470     298.618     380.000       9.216   44 
-    830000      166000.00      43.546       6.496      50.042   4.71 0.071 0.000 0.136 0.479     395.075     380.000       8.877   44 
-    840000      168000.00      38.370      16.508      54.878   9.54 0.000   NaN   NaN 0.193     348.111     380.000      12.749   44 
-    850000      170000.00      35.358       0.149      35.507   5.03 0.214 0.500 0.182 0.702     320.787     380.000       8.509   44 
-    860000      172000.00      36.017       5.831      41.848   4.84 0.071 0.500 0.136 1.042     326.764     380.000       9.540   44 
-    870000      174000.00      39.332      17.055      56.388   5.55 0.071 0.750 0.489 0.737     356.844     380.000       8.783   44 
-    880000      176000.00      44.571      15.911      60.483   7.77 0.071 0.800 0.164 0.546     404.375     380.000      10.384   44 
-    890000      178000.00      26.918       1.872      28.790   9.48 0.000   NaN   NaN 0.339     244.211     380.000      12.044   44 
-    900000      180000.00      50.758       9.737      60.495   7.31 0.071 0.857 0.266 0.347     460.502     380.000       8.011   44 
-    910000      182000.00      42.425      19.254      61.679   7.64 0.214 0.250 0.182 0.617     384.899     380.000      11.092   44 
-    920000      184000.00      34.173      11.488      45.661   6.47 0.143 0.333 0.167 0.580     310.038     380.000       9.473   44 
-    930000      186000.00      38.845      15.516      54.361   6.53 0.071 0.750 0.205 0.290     352.423     380.000       8.737   44 
-    940000      188000.00      42.090      17.910      60.000   5.36 0.071 0.750 0.205 0.518     381.860     380.000       9.396   44 
-    950000      190000.00      37.715      16.606      54.321   6.35 0.000 1.000 0.136 0.332     342.173     380.000      11.295   44 
-    960000      192000.00      40.347       9.088      49.435   6.93 0.000 1.000 0.152 0.747     366.050     380.000      10.326   44 
-    970000      194000.00      44.434       1.220      45.654   5.78 0.214 0.727 0.281 0.915     403.128     380.000       7.781   44 
-    980000      196000.00      36.460       3.293      39.753   5.28 0.000 1.000 0.318 0.786     330.784     380.000       9.093   44 
-    990000      198000.00      48.041       9.979      58.019   8.09 0.000 1.000 0.227 0.541     435.849     380.000       9.326   44 
-   1000000      200000.00      45.306       9.042      54.348   4.88 0.143 0.600 0.345 0.345     411.036     380.000       7.440   44