X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMULTCONF%2Fcx%2F1bdd_eval_GB.stat;fp=examples%2Funres%2Fnew%2FMULTCONF%2Fcx%2F1bdd_eval_GB.stat;h=6e3904f06e606c4e3d1c24d4e9947ab6f2faae8c;hb=6ae06e1476f4f0d7caba44ecbe0aacc9c1982c2f;hp=0000000000000000000000000000000000000000;hpb=53ada961b345266074e444a0316dc7c2422f52ea;p=unres.git diff --git a/examples/unres/new/MULTCONF/cx/1bdd_eval_GB.stat b/examples/unres/new/MULTCONF/cx/1bdd_eval_GB.stat new file mode 100644 index 0000000..6e3904f --- /dev/null +++ b/examples/unres/new/MULTCONF/cx/1bdd_eval_GB.stat @@ -0,0 +1,13 @@ +# WSC WSCP WELEC WANG WSCLOC WTOR WTORD WCORR WCORR5 WCORR6 WEL_LOC WTURN3 WTURN4 WTURN6 SCAL14 WSTRAIN WBOND WVDWPP WSCCOR +# 1.0000E+00 1.2331E+00 8.4476E-01 6.2954E-01 1.0554E-01 1.8432E+00 1.2657E+00 1.9212E-01 0.0000E+00 0.0000E+00 3.7357E-01 1.4032E+00 6.4673E-01 0.0000E+00 0.0000E+00 4.0000E-01 1.0000E+00 1.0000E+00 2.3173E-01 0.0000E+00 +# 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 + 1 -32.532 29.008 -21.912 -42.522 226.428 15.816 -2.426 -11.976 0.000 0.000 32.540 10.132 17.547 0.000 0.000 0.000 0.000 21.849 -40.080 0.000 55.919 34.215 0.000 1.000 0.062 + 2 -34.815 39.073 -36.809 -44.804 260.507 18.743 -0.714 -20.221 0.000 0.000 31.711 12.599 16.081 0.000 0.000 0.000 0.000 28.031 -48.072 0.000 68.136 32.388 0.023 0.667 0.062 + 3 -37.256 46.645 -69.429 -44.474 226.399 19.555 -0.302 -42.124 0.000 0.000 18.231 20.696 8.524 0.000 0.000 0.000 0.000 27.199 -43.503 0.000 43.562 31.083 0.070 0.667 0.074 + 4 -43.185 63.417 -97.350 -49.730 209.506 21.137 3.239 -60.627 0.000 0.000 19.964 20.666 6.703 0.000 0.000 0.000 0.000 21.118 -51.629 0.000 24.940 29.913 0.070 0.700 0.075 + 5 -40.421 71.748 -125.103 -51.188 259.654 30.283 -0.077 -91.911 0.000 0.000 11.140 30.796 2.783 0.000 0.000 0.000 0.000 27.834 -68.883 0.000 36.660 28.263 0.070 0.727 0.085 + 6 -47.350 78.221 -148.495 -50.302 238.886 35.131 3.643 -100.581 0.000 0.000 3.373 33.915 -2.179 0.000 0.000 0.000 0.000 23.950 -49.074 0.000 27.270 25.819 0.047 0.846 0.083 + 7 -43.689 94.269 -168.746 -46.686 234.988 33.761 1.840 -117.720 0.000 0.000 5.929 34.214 -2.062 0.000 0.000 0.000 0.000 24.363 -43.995 0.000 30.418 25.241 0.093 0.733 0.078 + 8 -44.267 81.082 -143.163 -46.868 171.007 33.960 6.740 -96.790 0.000 0.000 -12.234 32.052 -2.055 0.000 0.000 0.000 0.000 27.307 -59.795 0.000 28.382 24.310 0.093 0.800 0.079 + 9 -49.339 96.408 -169.272 -41.923 215.444 32.952 2.593 -120.373 0.000 0.000 4.115 35.958 0.261 0.000 0.000 0.000 0.000 28.738 -69.119 0.000 28.675 22.054 0.070 0.870 0.088 + 10 -55.526 108.162 -213.856 -48.945 191.898 36.910 4.442 -150.408 0.000 0.000 -4.376 44.404 -9.759 0.000 0.000 0.000 0.000 26.896 -71.797 0.000 -3.984 18.458 0.093 0.826 0.084