ctest csa for E0LL2Y
[unres.git] / ctest / 1l2y_MIN_REGULAR_INT.inp
1 1L2Y regularize internal coordinates starting from pdb
2 SEED=-3059743 minimize regular pdbstart pdbref refstr rescale_mode=2        
3 print_min_ini print_min_res print_min_stat MAXMIN=3000 MAXFUN=3500
4 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
5 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
6 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
7 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
8 CUTOFF=7.00000 WCORR4=0.00000
9 1L2Y.pdb
10  0
11  0