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

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB043.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat
deleted file mode 100644 (file)
index 231fcfb..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB043.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      39.570     113.442     153.011  12.87 0.000   NaN   NaN 4.850     358.996     350.000      15.552   43 
-     10000        2000.00      22.284       5.448      27.732   6.01 0.143 0.800 0.373 0.478     202.171     350.000       6.907   43 
-     20000        4000.00      38.776       9.024      47.801   7.67 0.214 0.500 0.189 1.073     351.798     350.000       8.543   43 
-     30000        6000.00      37.481      -1.748      35.733   3.89 0.000 1.000 0.311 0.809     340.051     350.000       8.317   43 
-     40000        8000.00      29.420      -9.156      20.264   4.97 0.071 0.900 0.318 1.098     266.916     350.000       6.895   43 
-     50000       10000.00      41.727      -2.013      39.713   5.57 0.000 1.000 0.216 0.137     378.567     350.000       7.962   43 
-     60000       12000.00      35.487       7.121      42.607   4.98 0.357 0.545 0.248 0.390     321.954     350.000       7.942   43 
-     70000       14000.00      40.135       1.569      41.704   5.47 0.000 1.000 0.303 0.495     364.126     350.000       8.653   43 
-     80000       16000.00      46.384       6.541      52.925   6.53 0.214 0.625 0.170 0.333     420.822     350.000       9.526   43 
-     90000       18000.00      28.115       1.851      29.966   7.00 0.143 0.833 0.333 0.410     255.074     350.000       7.407   43 
-    100000       20000.00      30.773       7.745      38.518   5.23 0.214 0.700 0.391 1.180     279.190     350.000       7.311   43 
-    110000       22000.00      43.769      13.151      56.920   9.55 0.143 0.000 0.159 0.405     397.094     370.000      11.910   43 
-    120000       24000.00      37.919       8.019      45.938   4.82 0.071 0.800 0.273 0.564     344.022     370.000       8.607   43 
-    130000       26000.00      38.784      16.636      55.420  11.51 0.071 0.500 0.182 0.650     351.871     370.000      14.079   43 
-    140000       28000.00      43.702       2.768      46.469   5.40 0.071 0.800 0.318 0.958     396.484     370.000       8.087   43 
-    150000       30000.00      36.290      12.068      48.358   5.69 0.000 1.000 0.227 0.533     329.245     370.000       8.497   43 
-    160000       32000.00      36.650      10.426      47.076  11.93 0.071 0.000 0.136 0.237     332.509     370.000      15.263   43 
-    170000       34000.00      39.369      11.853      51.221   5.34 0.143 0.600 0.218 0.263     357.172     370.000       8.269   43 
-    180000       36000.00      40.987      14.331      55.318   6.60 0.000 1.000 0.182 0.880     371.852     370.000      10.112   43 
-    190000       38000.00      32.929       4.697      37.626   4.56 0.071 0.667 0.379 0.948     298.753     370.000       8.999   43 
-    200000       40000.00      31.551       5.596      37.147   5.32 0.214 0.400 0.282 0.535     286.244     370.000       8.511   43 
-    210000       42000.00      38.063       0.887      38.949   3.82 0.143 0.800 0.200 0.390     345.323     360.000       8.355   43 
-    220000       44000.00      42.759       6.104      48.863   6.57 0.071 0.875 0.273 0.585     387.934     360.000       8.336   43 
-    230000       46000.00      26.301       8.007      34.308   6.74 0.071 0.500 0.364 0.647     238.614     360.000       9.318   43 
-    240000       48000.00      36.240      -1.383      34.857   7.46 0.071 0.500 0.159 0.821     328.791     360.000       9.476   43 
-    250000       50000.00      43.099      11.948      55.047   8.18 0.143 0.600 0.164 0.801     391.018     360.000      11.225   43 
-    260000       52000.00      39.829       8.913      48.742   4.09 0.214 0.400 0.427 1.000     361.349     360.000       8.413   43 
-    270000       54000.00      31.589      -4.643      26.946   4.25 0.357 0.500 0.418 0.750     286.595     360.000       6.869   43 
-    280000       56000.00      36.156      13.889      50.046   6.16 0.071 0.857 0.513 0.830     328.028     360.000       7.343   43 
-    290000       58000.00      37.617       4.443      42.060   4.76 0.071 0.750 0.170 0.717     341.278     360.000       8.583   43 
-    300000       60000.00      33.890       0.330      34.220   4.31 0.286 0.500 0.273 0.364     307.465     360.000       7.442   43 
-    310000       62000.00      40.527      17.741      58.268   7.25 0.143 0.600 0.236 0.479     367.685     360.000       9.586   43 
-    320000       64000.00      40.702      -0.759      39.944   6.41 0.143 0.667 0.265 0.797     369.272     360.000       7.887   43 
-    330000       66000.00      36.624      10.603      47.227   5.86 0.071 0.800 0.373 0.848     332.275     360.000       8.181   43 
-    340000       68000.00      36.870       5.534      42.404   6.33 0.143 0.714 0.305 0.648     334.504     360.000       9.093   43 
-    350000       70000.00      40.472      -4.462      36.010   5.09 0.214 0.700 0.395 0.375     367.180     360.000       7.235   43 
-    360000       72000.00      33.726      17.676      51.402   9.66 0.071 0.000 0.136 0.837     305.979     360.000      12.684   43 
-    370000       74000.00      36.402       7.305      43.706   6.95 0.000 1.000 0.227 0.281     330.256     360.000       8.552   43 
-    380000       76000.00      33.579      10.281      43.860   9.46 0.143 0.500 0.170 0.201     304.649     360.000      11.332   43 
-    390000       78000.00      41.028       2.881      43.908   4.90 0.214 0.727 0.442 0.596     372.225     360.000       8.609   43 
-    400000       80000.00      37.233      12.823      50.057   5.33 0.000 1.000 0.273 0.401     337.801     360.000       9.664   43 
-    410000       82000.00      42.265      11.769      54.034   6.40 0.071 0.500 0.136 0.594     383.453     380.000      11.063   43 
-    420000       84000.00      34.973       2.853      37.826   8.94 0.000   NaN   NaN 0.223     317.289     380.000      11.920   43 
-    430000       86000.00      36.376      23.398      59.775   9.66 0.071 0.000 0.136 0.581     330.025     380.000      13.474   43 
-    440000       88000.00      41.654       9.167      50.821   5.77 0.071 0.667 0.212 0.210     377.908     380.000       9.151   43 
-    450000       90000.00      43.084       2.902      45.986   4.07 0.071 0.857 0.201 0.897     390.883     380.000       8.077   43 
-    460000       92000.00      35.694       4.336      40.030   5.60 0.071 0.800 0.300 0.570     323.838     380.000       8.391   43 
-    470000       94000.00      58.383       4.575      62.958   5.87 0.071 0.875 0.403 0.655     529.680     380.000       7.451   43 
-    480000       96000.00      49.234      11.862      61.096   6.27 0.071 0.667 0.136 0.572     446.673     380.000      10.355   43 
-    490000       98000.00      39.020      10.636      49.657   7.35 0.000 1.000 0.159 0.253     354.014     380.000      10.899   43 
-    500000      100000.00      40.645       5.997      46.642   4.96 0.071 0.667 0.152 1.165     368.753     380.000       8.554   43 
-    510000      102000.00      35.853       5.086      40.939   4.42 0.071 0.500 0.250 0.304     325.273     350.000       8.179   43 
-    520000      104000.00      38.744       6.112      44.857   9.32 0.000 1.000 0.136 0.795     351.510     350.000      12.421   43 
-    530000      106000.00      32.432       2.640      35.072   4.96 0.143 0.714 0.195 0.233     294.244     350.000       8.650   43 
-    540000      108000.00      47.320       1.717      49.037   5.91 0.000 1.000 0.136 0.382     429.308     350.000      10.534   43 
-    550000      110000.00      32.592      -0.743      31.849   4.41 0.143 0.667 0.432 0.221     295.696     350.000       8.174   43 
-    560000      112000.00      44.792       5.697      50.489   5.85 0.000 1.000 0.170 0.334     406.377     350.000       9.394   43 
-    570000      114000.00      29.181      -4.725      24.456   5.44 0.214 0.667 0.293 0.929     264.747     350.000       7.328   43 
-    580000      116000.00      27.601       2.591      30.192   6.05 0.000 1.000 0.295 0.317     250.415     350.000       9.618   43 
-    590000      118000.00      38.284       5.672      43.956   3.88 0.214 0.250 0.159 0.262     347.333     350.000       8.172   43 
-    600000      120000.00      36.135      11.385      47.521   5.75 0.143 0.667 0.545 0.268     327.837     350.000       8.173   43 
-    610000      122000.00      55.368       9.173      64.541   5.13 0.000 1.000 0.273 0.991     502.326     400.000       9.472   43 
-    620000      124000.00      34.034      11.284      45.318   8.06 0.143 0.500 0.148 0.648     308.777     400.000      11.824   43 
-    630000      126000.00      42.929      18.767      61.696   8.29 0.000   NaN   NaN 0.237     389.473     400.000      11.910   43 
-    640000      128000.00      42.791       6.947      49.738   9.75 0.071 0.667 0.152 0.573     388.225     400.000      11.868   43 
-    650000      130000.00      38.181      16.067      54.248   5.78 0.071 0.667 0.318 0.681     346.401     400.000       8.802   43 
-    660000      132000.00      35.218      15.115      50.334   6.93 0.000 1.000 0.409 0.557     319.519     400.000       9.063   43 
-    670000      134000.00      44.479      16.304      60.783  10.55 0.000   NaN   NaN 0.354     403.537     400.000      13.379   43 
-    680000      136000.00      48.532       7.780      56.313   9.33 0.071 0.750 0.307 0.803     440.311     400.000      11.732   43 
-    690000      138000.00      41.889      20.922      62.811   5.94 0.000 1.000 0.136 0.340     380.039     400.000       9.716   43 
-    700000      140000.00      45.810      12.629      58.439   6.55 0.071 0.667 0.242 0.718     415.609     400.000       9.341   43 
-    710000      142000.00      43.159      11.258      54.417   7.86 0.000 1.000 0.227 0.651     391.561     400.000      11.084   43 
-    720000      144000.00      38.575       3.015      41.589   5.49 0.000 1.000 0.227 0.329     349.968     400.000       9.034   43 
-    730000      146000.00      47.725      12.607      60.332   6.63 0.071 0.750 0.261 1.061     432.987     400.000       9.900   43 
-    740000      148000.00      48.563       5.868      54.431   7.82 0.071 0.000 0.136 0.289     440.590     400.000      10.374   43 
-    750000      150000.00      39.799       3.030      42.829   4.82 0.071 0.833 0.417 1.116     361.079     400.000       7.388   43 
-    760000      152000.00      37.363       7.105      44.468   5.58 0.000 1.000 0.386 0.610     338.973     400.000       8.290   43 
-    770000      154000.00      47.624      18.332      65.956   8.76 0.071 0.000 0.136 0.825     432.071     400.000      12.461   43 
-    780000      156000.00      42.531      12.400      54.931  12.75 0.000 1.000 0.212 0.654     385.866     400.000      15.374   43 
-    790000      158000.00      50.832      19.094      69.926   6.78 0.000 1.000 0.409 1.008     461.170     400.000      10.430   43 
-    800000      160000.00      45.397      21.172      66.569   6.30 0.000 1.000 0.318 0.843     411.863     400.000       8.863   43 
-    810000      162000.00      45.142      14.279      59.421   5.51 0.071 0.750 0.193 0.392     409.551     400.000       9.421   43 
-    820000      164000.00      42.737      15.077      57.813   8.28 0.071 0.500 0.205 0.318     387.731     400.000      11.154   43 
-    830000      166000.00      45.121      12.351      57.472   9.37 0.143 0.333 0.152 0.433     409.365     400.000      12.309   43 
-    840000      168000.00      34.079      11.045      45.124   5.71 0.071 0.750 0.170 0.574     309.184     400.000       9.642   43 
-    850000      170000.00      37.368       8.443      45.811   9.29 0.071 0.500 0.136 0.491     339.026     400.000      12.800   43 
-    860000      172000.00      40.226      14.607      54.833   3.17 0.214 0.571 0.435 0.265     364.954     400.000       7.505   43 
-    870000      174000.00      43.574      22.440      66.013   5.94 0.071 0.750 0.227 0.664     395.324     400.000       9.608   43 
-    880000      176000.00      43.792       5.586      49.378   8.19 0.071 0.750 0.239 0.758     397.305     400.000       9.892   43 
-    890000      178000.00      40.307      16.822      57.129   5.42 0.143 0.714 0.292 1.162     365.682     400.000       8.007   43 
-    900000      180000.00      41.771      -6.233      35.538   6.50 0.071 0.875 0.312 0.849     378.970     400.000       7.533   43 
-    910000      182000.00      36.785       1.538      38.323   5.05 0.071 0.875 0.386 0.290     333.734     380.000       7.135   43 
-    920000      184000.00      35.810      11.326      47.137   5.98 0.000 1.000 0.439 0.457     324.891     380.000       7.910   43 
-    930000      186000.00      31.325      17.414      48.739   8.91 0.071 0.500 0.182 1.099     284.200     380.000      11.576   43 
-    940000      188000.00      47.842      18.546      66.388   6.13 0.071 0.833 0.250 1.396     434.048     380.000       8.328   43 
-    950000      190000.00      49.847       8.968      58.814   5.82 0.071 0.889 0.333 0.902     452.236     380.000       7.605   43 
-    960000      192000.00      39.337      15.903      55.239   7.48 0.143 0.600 0.145 1.003     356.882     380.000      11.400   43 
-    970000      194000.00      25.756       6.826      32.582   5.55 0.071 0.750 0.216 1.208     233.672     380.000       8.615   43 
-    980000      196000.00      45.471      11.423      56.894   9.75 0.000 1.000 0.227 1.297     412.533     380.000      12.702   43 
-    990000      198000.00      54.254      -1.603      52.652   5.52 0.143 0.778 0.394 1.029     492.222     380.000       7.548   43 
-   1000000      200000.00      32.059      10.031      42.090   5.01 0.143 0.714 0.383 0.649     290.855     380.000       7.796   43