Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MREMD / ff_gab / outputs / 1L2Y_MREMD_GB010.stat

diff --git a/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB010.stat b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB010.stat
new file mode 100644 (file)
index 0000000..cfc5622
--- /dev/null
+++ b/examples/unres/MREMD/ff_gab/outputs/1L2Y_MREMD_GB010.stat
@@ -0,0 +1,101 @@
+         0           0.00      35.066      24.828      59.894  12.87 0.000   NaN   NaN 0.708     318.139     300.000      15.552   10 
+     10000        2000.00      27.723     -10.864      16.859   8.16 0.000 1.000 0.250 1.753     251.514     300.000       9.942   10 
+     20000        4000.00      27.850     -26.706       1.144   3.34 0.286 0.714 0.247 1.973     252.672     300.000       6.599   10 
+     30000        6000.00      26.549     -31.934      -5.385   4.34 0.214 0.750 0.242 1.121     240.863     300.000       7.074   10 
+     40000        8000.00      27.449     -30.830      -3.381   2.75 0.357 0.545 0.335 1.344     249.031     300.000       6.883   10 
+     50000       10000.00      29.184     -24.039       5.145   8.08 0.143 0.667 0.152 2.039     264.771     300.000      12.002   10 
+     60000       12000.00      29.476     -27.071       2.405   5.27 0.143 0.500 0.364 2.400     267.423     300.000       7.359   10 
+     70000       14000.00      27.993     -22.427       5.566   5.24 0.143 0.714 0.195 2.350     253.970     300.000       6.833   10 
+     80000       16000.00      31.916     -31.638       0.278   5.03 0.214 0.700 0.359 2.004     289.562     300.000       7.123   10 
+     90000       18000.00      23.765     -37.188     -13.423   5.33 0.357 0.583 0.352 1.739     215.605     300.000       6.996   10 
+    100000       20000.00      22.186     -36.170     -13.984   5.44 0.286 0.667 0.242 1.220     201.286     300.000       7.143   10 
+    110000       22000.00      23.620     -30.989      -7.370   6.05 0.214 0.700 0.300 2.421     214.290     300.000       6.872   10 
+    120000       24000.00      26.645     -30.310      -3.665   4.70 0.286 0.429 0.208 1.313     241.736     300.000       7.375   10 
+    130000       26000.00      22.531     -25.595      -3.064   7.25 0.143 0.778 0.258 0.879     204.415     300.000       7.775   10 
+    140000       28000.00      32.653      -7.941      24.712   7.48 0.071 0.875 0.210 0.677     296.249     300.000       8.293   10 
+    150000       30000.00      28.073     -37.360      -9.287   3.31 0.357 0.583 0.386 1.488     254.696     300.000       6.657   10 
+    160000       32000.00      30.411     -18.363      12.049   6.31 0.143 0.714 0.292 1.392     275.907     300.000       8.062   10 
+    170000       34000.00      31.002     -17.805      13.197   7.70 0.071 0.500 0.159 1.255     281.266     300.000      10.712   10 
+    180000       36000.00      27.429     -26.721       0.708   4.52 0.143 0.714 0.325 1.177     248.852     300.000       7.400   10 
+    190000       38000.00      24.280     -15.599       8.681   6.41 0.286 0.333 0.136 0.965     220.280     300.000      10.363   10 
+    200000       40000.00      27.118     -25.520       1.598   5.41 0.143 0.667 0.174 2.936     246.029     300.000       8.044   10 
+    210000       42000.00      32.060     -22.301       9.758   5.94 0.214 0.667 0.298 1.536     290.860     300.000       6.934   10 
+    220000       44000.00      32.363     -22.758       9.604   6.35 0.143 0.714 0.253 1.393     293.610     300.000       7.112   10 
+    230000       46000.00      28.969     -29.307      -0.338   6.05 0.286 0.636 0.211 3.386     262.823     300.000       7.788   10 
+    240000       48000.00      26.381     -33.182      -6.801   6.63 0.214 0.700 0.186 0.439     239.345     300.000       8.945   10 
+    250000       50000.00      29.821     -26.850       2.971   3.90 0.214 0.667 0.293 1.672     270.549     300.000       7.769   10 
+    260000       52000.00      28.764     -34.791      -6.028   4.31 0.357 0.444 0.374 1.301     260.958     300.000       8.304   10 
+    270000       54000.00      27.390     -34.831      -7.440   4.93 0.143 0.818 0.289 1.032     248.497     300.000       7.397   10 
+    280000       56000.00      27.796     -35.346      -7.550   5.67 0.143 0.778 0.343 1.590     252.181     300.000       7.358   10 
+    290000       58000.00      28.536     -18.488      10.049   4.77 0.286 0.556 0.308 1.177     258.893     300.000       7.264   10 
+    300000       60000.00      27.303     -20.216       7.086   5.64 0.143 0.667 0.318 1.829     247.703     300.000       7.115   10 
+    310000       62000.00      27.030     -30.284      -3.255   4.95 0.214 0.769 0.329 0.933     245.227     330.000       7.353   10 
+    320000       64000.00      34.539      -4.846      29.693   6.09 0.071 0.889 0.364 1.832     313.354     330.000       7.965   10 
+    330000       66000.00      45.197      -6.189      39.008   5.48 0.071 0.667 0.394 1.568     410.051     330.000       9.998   10 
+    340000       68000.00      30.995     -15.166      15.830   7.55 0.143 0.667 0.348 1.714     281.207     330.000       7.690   10 
+    350000       70000.00      36.288      -7.841      28.447   6.84 0.214 0.625 0.199 2.782     329.227     330.000       8.432   10 
+    360000       72000.00      29.693     -13.276      16.417   5.18 0.071 0.750 0.443 1.759     269.393     330.000       8.709   10 
+    370000       74000.00      35.419      -2.996      32.423   5.74 0.071 0.833 0.341 2.493     321.336     330.000       7.685   10 
+    380000       76000.00      35.264     -14.898      20.366   6.01 0.143 0.500 0.545 1.823     319.936     330.000       7.652   10 
+    390000       78000.00      42.271     -14.133      28.138   4.94 0.143 0.833 0.379 2.215     383.503     330.000       7.289   10 
+    400000       80000.00      33.662      -4.462      29.200   4.37 0.071 0.500 0.727 1.953     305.398     330.000       8.960   10 
+    410000       82000.00      34.199      -9.051      25.148   5.54 0.071 0.667 0.212 1.521     310.270     320.000       9.390   10 
+    420000       84000.00      36.435     -20.195      16.240   5.94 0.143 0.714 0.266 1.236     330.556     320.000       6.938   10 
+    430000       86000.00      30.823     -13.514      17.309   7.38 0.000 1.000 0.325 2.345     279.645     320.000       7.449   10 
+    440000       88000.00      39.499     -21.627      17.872   3.98 0.071 0.889 0.354 1.458     358.355     320.000       7.411   10 
+    450000       90000.00      33.100     -12.810      20.290   4.89 0.214 0.571 0.494 0.686     300.303     320.000       7.573   10 
+    460000       92000.00      29.246     -15.978      13.268   6.60 0.214 0.667 0.258 1.079     265.337     320.000       7.411   10 
+    470000       94000.00      26.971     -11.252      15.719   4.62 0.143 0.778 0.328 1.876     244.697     320.000       7.385   10 
+    480000       96000.00      39.747      -1.362      38.385   4.98 0.000 1.000 0.273 2.660     360.601     320.000       8.668   10 
+    490000       98000.00      31.351     -17.644      13.707   5.45 0.143 0.750 0.398 2.245     284.430     320.000       7.092   10 
+    500000      100000.00      34.657     -21.635      13.022   6.30 0.214 0.500 0.205 1.821     314.424     320.000       7.740   10 
+    510000      102000.00      37.574     -17.614      19.961   5.24 0.000 1.000 0.606 0.971     340.894     320.000       8.202   10 
+    520000      104000.00      36.296      -8.139      28.157   5.05 0.214 0.571 0.182 2.124     329.295     320.000       8.327   10 
+    530000      106000.00      33.909     -13.125      20.784   5.25 0.071 0.500 0.432 1.810     307.640     320.000       7.891   10 
+    540000      108000.00      33.691     -12.508      21.183   7.91 0.143 0.333 0.167 1.620     305.660     320.000      10.749   10 
+    550000      110000.00      36.191     -23.278      12.914   6.19 0.071 0.833 0.227 2.055     328.347     320.000       7.537   10 
+    560000      112000.00      24.585     -18.782       5.803   4.70 0.286 0.333 0.197 2.173     223.050     320.000       8.215   10 
+    570000      114000.00      27.218     -21.736       5.482   7.21 0.000 1.000 0.258 2.596     246.933     320.000       7.442   10 
+    580000      116000.00      22.004     -12.031       9.973   6.41 0.071 0.667 0.258 1.032     199.634     320.000       9.021   10 
+    590000      118000.00      32.486     -27.944       4.542   5.28 0.214 0.727 0.347 1.303     294.729     320.000       6.983   10 
+    600000      120000.00      30.073     -10.059      20.014   5.18 0.143 0.600 0.191 1.378     272.842     320.000       8.339   10 
+    610000      122000.00      41.265     -15.571      25.694   8.55 0.071 0.500 0.205 1.700     374.379     320.000      10.475   10 
+    620000      124000.00      36.547     -25.357      11.189   6.19 0.071 0.833 0.326 1.124     331.571     320.000       7.130   10 
+    630000      126000.00      33.782     -22.246      11.537   7.29 0.286 0.500 0.188 0.910     306.489     320.000      10.069   10 
+    640000      128000.00      37.107     -13.320      23.787   5.46 0.000 1.000 0.227 2.648     336.658     320.000       9.367   10 
+    650000      130000.00      32.736     -19.602      13.134   6.88 0.143 0.500 0.159 1.548     297.000     320.000      10.085   10 
+    660000      132000.00      34.385      -6.647      27.738   3.82 0.071 0.750 0.557 1.779     311.959     320.000       7.359   10 
+    670000      134000.00      29.792     -32.853      -3.061   6.00 0.143 0.800 0.245 1.279     270.293     320.000       6.922   10 
+    680000      136000.00      31.148     -13.110      18.038   5.64 0.000 1.000 0.364 2.173     282.590     320.000       9.337   10 
+    690000      138000.00      30.686     -20.504      10.181   5.56 0.143 0.667 0.545 1.550     278.395     320.000       7.922   10 
+    700000      140000.00      32.476     -10.501      21.975   4.95 0.214 0.500 0.326 2.317     294.642     320.000       7.834   10 
+    710000      142000.00      32.620     -14.792      17.828   5.14 0.071 0.833 0.182 1.680     295.943     310.000       8.667   10 
+    720000      144000.00      28.027     -30.960      -2.932   4.37 0.286 0.636 0.264 1.023     254.279     310.000       7.521   10 
+    730000      146000.00      38.572     -11.594      26.977   7.23 0.071 0.000 0.136 1.929     349.942     310.000      10.669   10 
+    740000      148000.00      44.122     -24.646      19.476   4.18 0.143 0.778 0.288 2.551     400.299     310.000       7.657   10 
+    750000      150000.00      32.761     -28.650       4.112   4.75 0.143 0.800 0.259 1.017     297.228     310.000       7.444   10 
+    760000      152000.00      32.274     -28.121       4.152   3.75 0.286 0.636 0.302 2.547     292.802     310.000       7.245   10 
+    770000      154000.00      35.871     -27.058       8.813   4.26 0.214 0.500 0.182 1.031     325.444     310.000       8.046   10 
+    780000      156000.00      30.036     -26.952       3.085   4.89 0.214 0.727 0.397 1.719     272.504     310.000       7.171   10 
+    790000      158000.00      26.778     -20.182       6.596   6.05 0.071 0.833 0.280 2.256     242.948     310.000       9.104   10 
+    800000      160000.00      27.611     -20.953       6.658   4.51 0.286 0.556 0.354 2.004     250.500     310.000       7.204   10 
+    810000      162000.00      32.448     -15.525      16.923   6.35 0.071 0.750 0.511 1.785     294.389     330.000       7.871   10 
+    820000      164000.00      36.974     -17.040      19.935   3.95 0.214 0.667 0.328 1.624     335.450     330.000       6.897   10 
+    830000      166000.00      34.560      -8.261      26.299   8.80 0.000   NaN   NaN 1.665     313.544     330.000      12.580   10 
+    840000      168000.00      39.098     -18.710      20.388   5.91 0.214 0.500 0.417 1.479     354.719     330.000       7.655   10 
+    850000      170000.00      25.924     -28.576      -2.651   4.34 0.286 0.600 0.377 2.407     235.199     330.000       6.679   10 
+    860000      172000.00      34.651     -21.090      13.562   4.69 0.143 0.714 0.435 2.779     314.375     330.000       7.320   10 
+    870000      174000.00      32.947     -19.354      13.594   5.78 0.143 0.667 0.220 3.017     298.913     330.000       8.572   10 
+    880000      176000.00      39.849     -10.295      29.554  11.49 0.000   NaN   NaN 1.361     361.529     330.000      14.112   10 
+    890000      178000.00      27.654     -10.743      16.911   4.65 0.071 0.800 0.318 1.239     250.891     330.000       7.984   10 
+    900000      180000.00      29.257      -7.700      21.557   6.93 0.071 0.800 0.273 0.984     265.436     330.000       9.154   10 
+    910000      182000.00      22.972      -9.436      13.536   5.37 0.143 0.778 0.389 1.973     208.418     320.000       6.959   10 
+    920000      184000.00      32.208     -12.956      19.252   4.67 0.143 0.750 0.284 1.714     292.207     320.000       7.644   10 
+    930000      186000.00      30.160      -9.694      20.466   5.54 0.000 1.000 0.470 1.440     273.626     320.000       8.956   10 
+    940000      188000.00      31.508     -13.348      18.161   9.80 0.214 0.250 0.182 0.937     285.861     320.000      11.651   10 
+    950000      190000.00      25.978     -23.340       2.638   5.34 0.143 0.667 0.205 1.200     235.684     320.000       8.891   10 
+    960000      192000.00      31.513      -8.698      22.815   5.18 0.214 0.571 0.312 1.920     285.903     320.000       7.373   10 
+    970000      194000.00      30.747     -14.597      16.150   7.37 0.071 0.667 0.167 1.856     278.952     320.000      11.121   10 
+    980000      196000.00      31.542     -15.217      16.326   5.40 0.000 1.000 0.227 0.975     286.169     320.000       9.972   10 
+    990000      198000.00      26.624     -22.275       4.350   4.80 0.429 0.500 0.186 1.151     241.548     320.000       7.253   10 
+   1000000      200000.00      29.514     -35.654      -6.140   5.77 0.286 0.636 0.215 1.740     267.766     320.000       7.356   10