X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMULTCONF%2Fint%2F1aoy_eval_GB000.stat;fp=examples%2Funres%2Fnew%2FMULTCONF%2Fint%2F1aoy_eval_GB000.stat;h=87bd4c91a75c49af2f097477bdc1765e8d4d0bd1;hb=53ada961b345266074e444a0316dc7c2422f52ea;hp=0000000000000000000000000000000000000000;hpb=0e66b437e1a9f9b5633ec73189e6ed6d9a67f89e;p=unres.git diff --git a/examples/unres/new/MULTCONF/int/1aoy_eval_GB000.stat b/examples/unres/new/MULTCONF/int/1aoy_eval_GB000.stat new file mode 100644 index 0000000..87bd4c9 --- /dev/null +++ b/examples/unres/new/MULTCONF/int/1aoy_eval_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 -171.434 194.050 -426.944 -113.968 108.601 74.192 1.755 -331.338 0.000 0.000 -26.867 93.660 -6.392 0.000 0.000 0.000 0.000 0.000 -121.843 0.000 -196.688 9.675 0.403 0.646 0.163 + 2 -149.316 198.367 -430.251 -115.773 92.968 70.317 1.823 -334.663 0.000 0.000 -19.043 90.202 -5.003 0.000 0.000 0.000 0.000 0.000 -126.084 0.000 -180.008 6.562 0.389 0.627 0.180 + 3 -170.740 193.116 -422.218 -116.172 97.458 71.314 2.037 -328.541 0.000 0.000 -20.408 90.778 -4.237 0.000 0.000 0.000 0.000 0.000 -127.571 0.000 -205.303 10.007 0.389 0.650 0.176 + 4 -151.446 186.817 -404.256 -108.211 89.439 66.959 2.777 -316.442 0.000 0.000 -15.369 87.325 -3.764 0.000 0.000 0.000 0.000 0.000 -119.239 0.000 -174.680 3.802 0.431 0.587 0.144 + 5 -166.649 187.589 -408.030 -113.779 103.317 72.468 1.602 -317.830 0.000 0.000 -19.297 88.915 -2.613 0.000 0.000 0.000 0.000 0.000 -129.772 0.000 -190.682 6.427 0.431 0.603 0.162 + 6 -154.636 185.724 -410.184 -112.322 108.588 72.360 2.444 -319.783 0.000 0.000 -15.797 91.109 -1.739 0.000 0.000 0.000 0.000 0.000 -118.391 0.000 -170.022 9.167 0.444 0.529 0.110 + 7 -169.817 192.853 -420.098 -117.613 97.449 71.192 1.961 -326.685 0.000 0.000 -20.205 90.503 -4.341 0.000 0.000 0.000 0.000 0.000 -130.572 0.000 -205.007 10.057 0.389 0.646 0.168 + 8 -163.299 189.157 -421.204 -117.159 112.048 71.435 2.221 -328.462 0.000 0.000 -18.392 91.952 -3.896 0.000 0.000 0.000 0.000 0.000 -120.915 0.000 -195.717 10.345 0.417 0.595 0.150 + 9 -184.265 194.652 -414.755 -110.362 124.611 70.787 3.073 -321.869 0.000 0.000 -21.374 89.729 -2.514 0.000 0.000 0.000 0.000 0.000 -135.718 0.000 -203.051 2.958 0.681 0.456 0.201 + 10 -157.534 199.441 -427.226 -116.881 94.179 72.696 0.888 -332.077 0.000 0.000 -23.317 91.958 -1.299 0.000 0.000 0.000 0.000 0.000 -120.287 0.000 -178.562 8.792 0.458 0.560 0.163