New examples based on current version of UNRES.

[unres.git] / examples / unres / new / MREMD / ff_gab / 1L2Y_MREMD_GB045.stat

diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB045.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB045.stat
deleted file mode 100644 (file)
index 8994600..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB045.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      34.080      20.954      55.034  12.87 0.000   NaN   NaN 0.932     309.193     360.000      15.552   45 
-     10000        2000.00      42.111     -21.979      20.132   4.96 0.286 0.692 0.367 1.546     382.053     360.000       7.036   45 
-     20000        4000.00      28.405       7.465      35.870   4.98 0.071 0.500 0.182 2.506     257.702     360.000       9.037   45 
-     30000        6000.00      29.307      -6.882      22.425   4.55 0.071 0.750 0.705 3.083     265.888     360.000       8.324   45 
-     40000        8000.00      45.085      -9.519      35.567   5.03 0.071 0.800 0.645 1.843     409.039     360.000       9.146   45 
-     50000       10000.00      26.439      -0.717      25.722   5.34 0.000   NaN   NaN 3.753     239.872     360.000       9.178   45 
-     60000       12000.00      38.160     -12.821      25.338   6.09 0.071 0.500 0.182 2.367     346.204     360.000       9.086   45 
-     70000       14000.00      43.539      -3.829      39.710   6.19 0.071 0.833 0.371 1.874     395.011     360.000       9.105   45 
-     80000       16000.00      36.849     -16.302      20.547   6.19 0.071 0.667 0.167 2.704     334.312     360.000       7.712   45 
-     90000       18000.00      38.955     -12.623      26.332   4.86 0.143 0.714 0.416 3.402     353.417     360.000       8.525   45 
-    100000       20000.00      35.273      -3.907      31.366   6.87 0.000   NaN   NaN 1.681     320.016     360.000       9.343   45 
-    110000       22000.00      28.902     -14.613      14.289   6.40 0.143 0.714 0.481 1.683     262.214     350.000       7.941   45 
-    120000       24000.00      40.320     -13.108      27.212   3.92 0.143 0.500 0.398 2.261     365.802     350.000       8.506   45 
-    130000       26000.00      43.440     -18.392      25.048   6.37 0.143 0.750 0.528 1.840     394.112     350.000       7.326   45 
-    140000       28000.00      34.297     -17.059      17.239   6.90 0.071 0.857 0.474 1.866     311.164     350.000       9.629   45 
-    150000       30000.00      36.295     -16.335      19.960   4.75 0.000 1.000 0.400 1.109     329.285     350.000       8.160   45 
-    160000       32000.00      32.465     -11.848      20.617   5.62 0.143 0.750 0.398 1.750     294.535     350.000       7.598   45 
-    170000       34000.00      28.182     -17.582      10.600   5.44 0.071 0.833 0.515 2.372     255.682     350.000       8.557   45 
-    180000       36000.00      42.279     -12.235      30.044   7.20 0.071 0.750 0.170 1.915     383.579     350.000       9.774   45 
-    190000       38000.00      30.947     -14.538      16.409   5.63 0.071 0.857 0.357 1.630     280.767     350.000       7.368   45 
-    200000       40000.00      34.408     -11.888      22.520   4.97 0.143 0.667 0.364 2.107     312.169     350.000       8.454   45 
-    210000       42000.00      24.558     -22.613       1.945   5.74 0.214 0.769 0.339 1.767     222.802     330.000       7.198   45 
-    220000       44000.00      36.038     -12.912      23.126   5.84 0.000 1.000 0.182 1.690     326.959     330.000       7.858   45 
-    230000       46000.00      27.104     -22.826       4.278   5.17 0.000 1.000 0.326 1.327     245.900     330.000       7.138   45 
-    240000       48000.00      29.375     -23.721       5.654   5.86 0.214 0.500 0.273 1.733     266.506     330.000       7.451   45 
-    250000       50000.00      29.371     -16.730      12.641   2.97 0.214 0.500 0.432 1.782     266.467     330.000       7.151   45 
-    260000       52000.00      32.610     -27.121       5.489   4.38 0.143 0.600 0.264 1.383     295.855     330.000       8.191   45 
-    270000       54000.00      35.897     -26.631       9.266   4.89 0.143 0.500 0.409 2.688     325.674     330.000       7.579   45 
-    280000       56000.00      35.056     -23.499      11.556   5.06 0.143 0.800 0.368 1.961     318.045     330.000       7.522   45 
-    290000       58000.00      24.541     -24.845      -0.304   5.24 0.143 0.600 0.364 1.107     222.651     330.000       8.154   45 
-    300000       60000.00      32.074     -14.909      17.165   5.02 0.143 0.667 0.348 1.476     290.992     330.000       8.309   45 
-    310000       62000.00      39.037      -8.900      30.136   9.00 0.143 0.500 0.159 1.224     354.160     370.000      11.702   45 
-    320000       64000.00      42.596     -15.918      26.678   6.37 0.286 0.636 0.306 1.120     386.454     370.000       7.440   45 
-    330000       66000.00      42.196     -13.786      28.410   4.92 0.143 0.600 0.345 3.074     382.822     370.000       8.275   45 
-    340000       68000.00      30.242     -18.691      11.551   5.83 0.143 0.600 0.336 1.337     274.367     370.000       7.356   45 
-    350000       70000.00      32.087      -2.406      29.681  10.76 0.000   NaN   NaN 2.091     291.109     370.000      14.688   45 
-    360000       72000.00      38.757      -3.801      34.957   7.47 0.000 1.000 0.295 0.981     351.627     370.000      11.738   45 
-    370000       74000.00      36.117       3.792      39.909   8.64 0.000 1.000 0.273 1.993     327.672     370.000      12.708   45 
-    380000       76000.00      41.858      -0.784      41.075   7.06 0.143 0.333 0.136 2.167     379.760     370.000      11.348   45 
-    390000       78000.00      28.513     -17.612      10.901   5.81 0.071 0.800 0.355 1.612     258.683     370.000       8.441   45 
-    400000       80000.00      42.443     -11.420      31.023   5.75 0.071 0.750 0.205 0.800     385.061     370.000       8.796   45 
-    410000       82000.00      50.122      -7.918      42.204   5.02 0.000 1.000 0.205 1.389     454.735     400.000       9.145   45 
-    420000       84000.00      39.105     -18.583      20.522   7.15 0.071 0.800 0.418 0.776     354.779     400.000       7.397   45 
-    430000       86000.00      49.138      -5.514      43.624   8.11 0.000 1.000 0.212 1.616     445.806     400.000       9.088   45 
-    440000       88000.00      44.795      -3.961      40.834   5.30 0.214 0.500 0.205 2.343     406.405     400.000       8.891   45 
-    450000       90000.00      48.418     -10.829      37.589   5.76 0.071 0.500 0.205 1.963     439.269     400.000       9.568   45 
-    460000       92000.00      39.114       8.884      47.998   7.66 0.000 1.000 0.182 1.440     354.860     400.000      12.085   45 
-    470000       94000.00      41.618      12.068      53.686   8.37 0.143 0.000 0.136 2.782     377.579     400.000      11.950   45 
-    480000       96000.00      33.516     -14.222      19.293   6.08 0.071 0.750 0.477 1.723     304.072     400.000       8.660   45 
-    490000       98000.00      42.617       2.651      45.268   5.59 0.071 0.750 0.443 0.813     386.643     400.000       8.112   45 
-    500000      100000.00      41.801      -2.205      39.595   5.21 0.000 1.000 0.455 0.852     379.236     400.000       8.845   45 
-    510000      102000.00      40.836     -12.838      27.997   7.28 0.071 0.500 0.136 1.161     370.485     400.000      10.897   45 
-    520000      104000.00      40.856     -12.365      28.490   5.65 0.143 0.333 0.273 2.288     370.663     400.000       9.211   45 
-    530000      106000.00      43.395      -6.203      37.193   8.03 0.000 1.000 0.136 1.912     393.706     400.000      12.109   45 
-    540000      108000.00      33.254      -8.238      25.016   5.64 0.071 0.667 0.227 2.688     301.699     400.000       8.761   45 
-    550000      110000.00      39.086       1.292      40.378   5.47 0.071 0.000 0.136 4.770     354.608     400.000       9.693   45 
-    560000      112000.00      45.403       4.175      49.578   4.81 0.071 0.667 0.439 2.053     411.919     400.000       8.300   45 
-    570000      114000.00      30.746      -4.164      26.582   5.96 0.000 1.000 0.727 1.896     278.946     400.000       9.708   45 
-    580000      116000.00      45.972      12.405      58.377   6.17 0.000   NaN   NaN 1.855     417.080     400.000      10.641   45 
-    590000      118000.00      39.503       3.068      42.571   5.56 0.071 0.750 0.318 2.298     358.392     400.000       9.029   45 
-    600000      120000.00      51.319      -2.551      48.768   7.43 0.071 0.750 0.205 3.701     465.590     400.000       9.296   45 
-    610000      122000.00      45.445     -10.716      34.729   7.20 0.071 0.800 0.282 1.949     412.302     400.000       8.283   45 
-    620000      124000.00      37.869     -10.567      27.302   6.72 0.143 0.333 0.152 2.128     343.566     400.000      11.566   45 
-    630000      126000.00      41.794      -2.445      39.349   9.33 0.071 0.500 0.227 1.662     379.179     400.000      12.380   45 
-    640000      128000.00      37.792      13.372      51.164   5.93 0.000 1.000 0.432 4.288     342.867     400.000       8.759   45 
-    650000      130000.00      38.088       2.432      40.520   5.73 0.000 1.000 0.273 1.400     345.557     400.000       9.421   45 
-    660000      132000.00      34.725       8.244      42.969   7.95 0.000   NaN   NaN 1.006     315.039     400.000      11.009   45 
-    670000      134000.00      34.970       0.072      35.041   4.55 0.000 1.000 0.295 1.999     317.262     400.000       8.741   45 
-    680000      136000.00      48.743      -2.734      46.009   4.94 0.000 1.000 0.682 1.246     442.221     400.000       8.876   45 
-    690000      138000.00      42.173      -5.670      36.503   4.34 0.000 1.000 0.636 2.073     382.612     400.000       8.732   45 
-    700000      140000.00      45.575      -1.478      44.097   7.75 0.071 0.500 0.205 1.500     413.480     400.000      11.456   45 
-    710000      142000.00      31.758      -8.023      23.735   6.25 0.071 0.857 0.260 1.370     288.126     390.000       8.266   45 
-    720000      144000.00      34.361      -1.519      32.841   5.74 0.071 0.667 0.394 1.307     311.737     390.000       9.394   45 
-    730000      146000.00      44.294      -3.627      40.668   9.07 0.000   NaN   NaN 2.113     401.861     390.000      13.528   45 
-    740000      148000.00      40.364       1.531      41.895   5.61 0.071 0.500 0.182 2.606     366.201     390.000       8.955   45 
-    750000      150000.00      33.694      -4.890      28.804   7.23 0.071 0.667 0.212 1.918     305.687     390.000      10.561   45 
-    760000      152000.00      38.289      23.414      61.703  11.98 0.071 0.000 0.136 2.181     347.374     390.000      14.781   45 
-    770000      154000.00      35.213      -8.907      26.305   8.22 0.071 0.833 0.212 2.142     319.466     390.000       9.880   45 
-    780000      156000.00      37.333       8.217      45.550   4.81 0.071 0.667 0.576 3.403     338.702     390.000       9.013   45 
-    790000      158000.00      42.666      -7.169      35.497   6.99 0.071 0.667 0.167 1.604     387.092     390.000      10.056   45 
-    800000      160000.00      39.326      -0.297      39.029   4.98 0.000 1.000 0.491 2.644     356.784     390.000       8.590   45 
-    810000      162000.00      39.477      -6.832      32.645   5.68 0.071 0.875 0.420 1.460     358.156     380.000       7.749   45 
-    820000      164000.00      31.744      -1.417      30.327  11.38 0.000   NaN   NaN 2.365     287.998     380.000      15.428   45 
-    830000      166000.00      31.945      -2.233      29.712   5.28 0.143 0.000 0.159 1.611     289.818     380.000       9.154   45 
-    840000      168000.00      36.365     -13.737      22.629  10.04 0.071 0.667 0.197 2.247     329.925     380.000      13.620   45 
-    850000      170000.00      29.981      -4.986      24.995   5.32 0.000 1.000 0.136 1.068     272.002     380.000       9.154   45 
-    860000      172000.00      32.807       7.768      40.575   4.45 0.071 0.500 0.159 2.889     297.643     380.000       9.233   45 
-    870000      174000.00      33.760     -17.857      15.903   5.91 0.214 0.500 0.280 0.894     306.287     380.000       7.225   45 
-    880000      176000.00      37.766       2.283      40.048   8.37 0.071 0.500 0.227 1.537     342.631     380.000      10.739   45 
-    890000      178000.00      39.408      -0.282      39.126   5.92 0.000 1.000 0.182 1.810     357.534     380.000       9.841   45 
-    900000      180000.00      33.558       0.922      34.480   8.46 0.000 1.000 0.182 2.284     304.455     380.000      11.503   45 
-    910000      182000.00      39.672      -0.743      38.929  10.17 0.143 0.333 0.167 1.484     359.928     370.000      12.708   45 
-    920000      184000.00      34.025       9.368      43.394   6.63 0.071 0.500 0.159 1.989     308.697     370.000      10.260   45 
-    930000      186000.00      27.667     -12.487      15.180   5.52 0.071 0.800 0.382 1.481     251.007     370.000       7.562   45 
-    940000      188000.00      41.610      -9.365      32.245   5.43 0.071 0.750 0.330 1.068     377.509     370.000       7.690   45 
-    950000      190000.00      38.517     -16.011      22.506  11.39 0.071 0.000 0.136 1.657     349.445     370.000      14.396   45 
-    960000      192000.00      30.201      -4.466      25.735   7.07 0.071 0.667 0.212 1.880     273.995     370.000       9.125   45 
-    970000      194000.00      51.854      -6.900      44.955   5.71 0.000 1.000 0.242 2.057     470.448     370.000       9.171   45 
-    980000      196000.00      40.418     -15.242      25.176   4.85 0.143 0.778 0.343 1.494     366.696     370.000       7.574   45 
-    990000      198000.00      32.228       0.259      32.487   6.36 0.000   NaN   NaN 2.733     292.388     370.000       9.959   45 
-   1000000      200000.00      33.687       0.530      34.218   5.09 0.000 1.000 0.318 2.742     305.628     370.000       9.255   45