X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMultichain%2F1DKZ%2Fene%2F1DKZ-gab-ene.inp;fp=examples%2Funres%2FMultichain%2F1DKZ%2Fene%2F1DKZ-gab-ene.inp;h=6b8b6915e180dda930cc5b0c6bdc149def33d03f;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/Multichain/1DKZ/ene/1DKZ-gab-ene.inp b/examples/unres/Multichain/1DKZ/ene/1DKZ-gab-ene.inp new file mode 100644 index 0000000..6b8b691 --- /dev/null +++ b/examples/unres/Multichain/1DKZ/ene/1DKZ-gab-ene.inp @@ -0,0 +1,10 @@ +2xAla10 +SEED=-3059743 ENERGY PDBSTART REFSTR PDBREF PDBOUT DISTCHAINMAX=100 +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 +1DKZ.pdb +0 0 0 0 0 0 +0 0 0 0