X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Flocal%2Fpdb2int%2F1l2y_pdb.inp;fp=examples%2Funres%2FCSA%2FGAB%2Flocal%2Fpdb2int%2F1l2y_pdb.inp;h=5143186290a5c8017e5d47ccfd9d8b884c94c186;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/local/pdb2int/1l2y_pdb.inp b/examples/unres/CSA/GAB/local/pdb2int/1l2y_pdb.inp new file mode 100644 index 0000000..5143186 --- /dev/null +++ b/examples/unres/CSA/GAB/local/pdb2int/1l2y_pdb.inp @@ -0,0 +1,11 @@ +1l2y +SEED=-3059743 PDBREF RESCALE_MODE=0 PDBSTART OVERLAP NOSEARCHSC +WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 & +WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 & +WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 & +WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 & +WDFAD=0.0 WDFAT=0.0 WDFAN=0.0 WDFAB=0.0 & +CUTOFF=7.00000 WCORR4=0.00000 +1l2y.pdb +0 +0