dynamic disulfides are working again in md
[unres.git] / examples / unres / new / MD / DYN_SS / dyn_ss / small_s_GB000.stat
1                                                                                                                  #   EVDW SC-SC  EVDW2 SC-p  EES p-p     EBE bend    ESC SCloc   ETORS       ETORSD      ECORR4      ECORR5      ECORR6      EELLO       ETURN3      ETURN4      ETURN6      UCONST      EVDW2_14    EHPB        ESTR        EVDWPP      ESCCOR    
2          0           0.00      38.353     -25.364      12.989       0.254     378.662     400.000       8.514    0      -38.298      15.877     -16.372     -18.486      -5.331      10.032       0.040     -11.774       6.925      21.742       4.608       6.232       6.725      -0.252       0.000       0.000       0.000       0.000     -24.221     -15.459
3       1000           2.47      40.517      16.889      57.406       0.000     400.028     400.000       8.513    0      -37.239      15.692     -16.073     -18.300      49.829      10.452       0.093     -11.563       8.744      22.169       4.751       6.158       6.882      -0.114       0.000       0.000       0.000      27.246     -24.135     -10.871
4       2000           2.48      40.517      15.992      56.509       0.000     400.026     400.000       8.512    0      -37.237      15.685     -16.081     -18.312      50.166      10.452       0.088     -11.566       8.732      21.768       4.738       6.173       6.893      -0.110       0.000       0.000       0.000      26.332     -24.139     -10.885
5       3000           2.49      40.516      15.571      56.086       0.000     400.012     400.000       8.512    0      -37.235      15.682     -16.086     -18.317      50.360      10.452       0.085     -11.569       8.725      21.537       4.730       6.182       6.900      -0.107       0.000       0.000       0.000      25.896     -24.142     -10.892
6       4000           2.49      40.516      15.260      55.775       0.000     400.012     400.000       8.512    0      -37.232      15.679     -16.090     -18.321      50.529      10.452       0.083     -11.571       8.719      21.335       4.724       6.189       6.905      -0.105       0.000       0.000       0.000      25.568     -24.144     -10.897
7       5000           2.50      40.515      14.999      55.515       0.000     400.011     400.000       8.512    0      -37.228      15.675     -16.094     -18.324      50.696      10.452       0.080     -11.573       8.714      21.134       4.717       6.197       6.910      -0.103       0.000       0.000       0.000      25.289     -24.146     -10.901
8       6000           2.51      40.515      14.790      55.305       0.000     400.010     400.000       8.512    0      -37.223      15.672     -16.098     -18.326      50.863      10.452       0.078     -11.575       8.708      20.932       4.710       6.204       6.915      -0.101       0.000       0.000       0.000      25.058     -24.148     -10.906
9       7000           2.51      40.515      14.630      55.145       0.000     400.009     400.000       8.512    0      -37.217      15.669     -16.103     -18.328      51.029      10.452       0.075     -11.577       8.703      20.730       4.703       6.212       6.921      -0.099       0.000       0.000       0.000      24.875     -24.150     -10.910
10       8000           2.52      40.515      14.519      55.034       0.000     400.008     400.000       8.512    0      -37.210      15.666     -16.107     -18.329      51.192      10.452       0.072     -11.579       8.698      20.528       4.697       6.219       6.926      -0.097       0.000       0.000       0.000      24.739     -24.151     -10.914
11       9000           2.52      40.515      14.457      54.973       0.000     400.007     400.000       8.512    0      -37.202      15.663     -16.111     -18.330      51.353      10.452       0.070     -11.581       8.694      20.326       4.690       6.226       6.930      -0.095       0.000       0.000       0.000      24.651     -24.153     -10.918
12      10000           2.53      40.515      14.444      54.959       0.000     400.006     400.000       8.511    0      -37.193      15.660     -16.116     -18.330      51.510      10.452       0.067     -11.583       8.690      20.124       4.683       6.233       6.935      -0.093       0.000       0.000       0.000      24.609     -24.154     -10.922
13      11000           2.54      40.515      14.479      54.994       0.000     400.004     400.000       8.511    0      -37.182      15.657     -16.120     -18.330      51.663      10.452       0.064     -11.584       8.686      19.923       4.677       6.241       6.940      -0.090       0.000       0.000       0.000      24.615     -24.156     -10.925
14      12000          16.43      71.151   12519.648   12590.799       0.062     702.479     400.000       8.613    0      -23.741      20.157     -13.970     -10.409     137.271      10.916      -0.390      -9.411      17.349      35.231       4.712       6.413       6.009       0.721       0.000       0.000       0.000   12469.914     -21.704      -9.853
15      13000          19.05      40.548      80.216     120.764       0.000     400.333     400.000       8.603    0      -34.755      19.446     -17.707     -15.146     131.864      10.985      -1.150     -12.596      33.737      40.649       7.101       5.951       7.706       3.547       0.000       0.000       0.000      55.797     -23.840      -9.421
16      14000          23.78      40.515      13.466      53.981       0.000     400.005     400.000       8.662    0      -34.473      14.713     -13.566     -20.910      47.310      11.371      -0.966      -9.528      20.241      36.331       7.112       5.096       7.503       1.125       0.000       0.000       0.000      26.543     -23.364     -10.899
17      15000          23.83      40.516      11.265      51.781       0.000     400.015     400.000       8.664    0      -34.439      14.741     -13.566     -20.852      46.267      11.346      -0.974      -9.528      20.202      36.201       7.183       5.033       7.516       1.119       0.000       0.000       0.000      24.584     -23.375     -11.126
18      16000          25.59      40.515      22.156      62.671       0.000     400.004     400.000       8.685    0      -34.957      14.323     -13.105     -20.944      23.400      11.314      -1.003      -9.232      19.713      32.929       7.212       5.038       7.467       1.000       0.000       0.000       0.000      42.252     -22.963     -12.760
19      17000          25.63      40.520      17.159      57.680       0.000     400.058     400.000       8.683    0      -34.973      14.339     -13.085     -20.865      22.032      11.279      -1.007      -9.226      19.701      32.533       7.274       5.008       7.479       0.995       0.000       0.000       0.000      37.540     -22.976     -12.972
20      18000          26.46      40.508      14.612      55.120       0.000     399.937     400.000       8.679    0      -33.150      14.401     -13.093     -20.958      27.364      11.127      -0.990      -9.243      20.190      31.040       7.447       4.951       7.594       0.932       0.000       0.000       0.000      31.385     -23.016     -11.642
21      19000          26.48      40.511      19.936      60.448       0.000     399.971     400.000       8.679    0      -33.124      14.410     -13.089     -20.933      27.922      11.108      -0.987      -9.243      20.159      30.845       7.482       4.934       7.602       0.936       0.000       0.000       0.000      36.545     -23.024     -11.640
22      20000          26.49      40.512      22.657      63.169       0.000     399.973     400.000       8.678    0      -33.090      14.416     -13.087     -20.918      28.256      11.096      -0.985      -9.243      20.144      30.733       7.501       4.924       7.606       0.938       0.000       0.000       0.000      39.154     -23.029     -11.645