X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=examples%2Funres%2FCSA%2FGAB%2FCSA%2Freminimize%2F1l2y_remini.inp;fp=examples%2Funres%2FCSA%2FGAB%2FCSA%2Freminimize%2F1l2y_remini.inp;h=48080f131be84fb18b8b17f5c6389f5e5d366de2;hb=6c23f8d4f1fe8f0479fb8c6b16ff17e6c59c03d2;hp=0000000000000000000000000000000000000000;hpb=c6cc12f77df252d56c9480ce4822c58fc8981c32;p=unres.git diff --git a/examples/unres/CSA/GAB/CSA/reminimize/1l2y_remini.inp b/examples/unres/CSA/GAB/CSA/reminimize/1l2y_remini.inp new file mode 100644 index 0000000..48080f1 --- /dev/null +++ b/examples/unres/CSA/GAB/CSA/reminimize/1l2y_remini.inp @@ -0,0 +1,15 @@ +1l2y +SEED=-3059743 MULTCONF RESCALE_MODE=0 OVERLAP NOSEARCHSC MINIMIZE PDBREF +MAXMIN=2000 MAXFUN=3000 +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 & +CUTOFF=7.00000 WCORR4=0.00000 +1l2y.pdb +22 + D ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO + SER D +0 +0 +1l2y_csa_GB000.int