MULTCONF cx examples

[unres.git] / examples / unres / new / MULTCONF / cx / 1bdd_min_GB000.stat

diff --git a/examples/unres/new/MULTCONF/cx/1bdd_min_GB000.stat b/examples/unres/new/MULTCONF/cx/1bdd_min_GB000.stat
new file mode 100644 (file)
index 0000000..a1cbc9b
--- /dev/null
+++ b/examples/unres/new/MULTCONF/cx/1bdd_min_GB000.stat
@@ -0,0 +1,12 @@
+#      WSC         WSCP        WELEC       WANG        WSCLOC      WTOR        WTORD       WCORR       WCORR5      WCORR6      WEL_LOC     WTURN3      WTURN4      WTURN6                  SCAL14      WSTRAIN     WBOND       WVDWPP      WSCCOR    
+#      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      ETOT total        RMSD nat.contact nnt.contact  cont.order
+    1     -52.000      53.828     -90.516     -56.176      66.167      12.785      -2.983     -60.341       0.000       0.000      29.804      22.791      12.568       0.000       0.000       0.000       0.000      27.199     -39.335       0.000     -12.945      20.503       0.047       0.818       0.081
+    2     -47.099      50.671     -81.838     -60.366      64.503      17.405      -3.803     -50.935       0.000       0.000      21.004      24.608       5.950       0.000       0.000       0.000       0.000      21.118     -47.396       0.000     -11.103      24.044       0.047       0.800       0.073
+    3     -50.349      60.396    -104.364     -62.471      78.385      16.013      -1.731     -65.286       0.000       0.000      18.256      26.530       0.892       0.000       0.000       0.000       0.000      27.834     -40.129       0.000     -17.148      21.448       0.047       0.846       0.075
+    4     -60.517      91.705    -177.411     -69.966      62.250      29.634       0.706    -122.944       0.000       0.000       4.113      37.051      -1.519       0.000       0.000       0.000       0.000      23.950     -52.583       0.000     -38.572      23.989       0.140       0.667       0.082
+    6     -67.064     111.517    -223.240     -68.459      55.679      35.179       2.531    -153.374       0.000       0.000       0.385      45.140      -6.028       0.000       0.000       0.000       0.000      24.363     -48.666       0.000     -44.103      12.775       0.116       0.828       0.101
+    5     -73.239     106.467    -195.140     -66.224      63.770      31.495      -0.020    -135.474       0.000       0.000      -2.970      39.916      -0.370       0.000       0.000       0.000       0.000      27.307     -65.049       0.000     -42.861      16.609       0.070       0.919       0.180
+    8     -61.794     107.254    -217.214     -68.424      60.667      31.770       0.903    -151.966       0.000       0.000       2.140      42.147      -4.050       0.000       0.000       0.000       0.000      28.738     -39.526       0.000     -42.294      17.793       0.093       0.846       0.078
+    9     -69.498     154.638    -296.291     -63.665      83.980      38.375      -4.157    -215.213       0.000       0.000     -26.489      51.972      -6.920       0.000       0.000       0.000       0.000      26.896     -52.768       0.000     -62.967      16.159       0.070       0.919       0.093
+    7     -74.081     140.119    -281.725     -70.433      84.094      39.232       2.004    -208.994       0.000       0.000     -32.843      47.626      -4.331       0.000       0.000       0.000       0.000      26.896     -23.319       0.000     -66.799      17.050       0.070       0.893       0.133
+   10     -74.637     144.361    -295.048     -73.302      88.952      43.371      -1.359    -213.008       0.000       0.000     -21.006      55.111     -10.101       0.000       0.000       0.000       0.000      26.896     -43.073       0.000     -65.456      15.712       0.116       0.875       0.104