ctest correct path for xdrf2* tools
[unres.git] / examples / unres / Multichain / 1DKZ / ene / 1DKZ-gab-ene.inp
1 2xAla10
2 SEED=-3059743 ENERGY PDBSTART REFSTR PDBREF PDBOUT DISTCHAINMAX=100
3 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
4 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
5 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
6 WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000                                     &
7 CUTOFF=7.00000 WCORR4=0.00000
8 1DKZ.pdb
9 0 0 0 0 0 0 
10 0 0 0 0