X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMINIM%2F1L2Y_min-rand.inp;fp=examples%2Funres%2FMINIM%2F1L2Y_min-rand.inp;h=bc4c9d75538d0e8c6aeb2cbb5a76699b809372d7;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=0000000000000000000000000000000000000000;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git diff --git a/examples/unres/MINIM/1L2Y_min-rand.inp b/examples/unres/MINIM/1L2Y_min-rand.inp new file mode 100644 index 0000000..bc4c9d7 --- /dev/null +++ b/examples/unres/MINIM/1L2Y_min-rand.inp @@ -0,0 +1,14 @@ +1L2Y +SEED=-3059743 REFSTR PDBREF RAND_CONF MINIMIZE + +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=0.0 & +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