ctest checkgrad ref ene and limits
[unres.git] / ctest / 1DKZcut-min.inp
1 1DKZ 1st domain with substrate
2 SEED=-3059743 MINIMIZE PDBSTART REFSTR PDBREF PDBOUT DISTCHAINMAX=100          &
3 OVERLAP NOSEARCHSC CART
4 print_min_ini print_min_res print_min_stat MAXMIN=10000 MAXFUN=15000
5 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
6 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
7 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
8 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
9 CUTOFF=7.00000 WCORR4=0.00000
10 ./1dkz_cut.pdb
11 0
12 0