ctest update ene ref
[unres.git] / ctest / prota_MIN_CART.inp
1 Test minimize cart - 1bdd_unres - pdbstart unres_pdb
2 SEED=-3059743 minimize pdbstart pdbref refstr rescale_mode=2 cart overlap      &
3 nosearchsc unres_pdb
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 prota_unres.pdb
11  0
12  0