an example for MIN only version of unres, corrected paths in Makefile
[unres.git] / examples / unres / MIN / 1L2Y_min.inp
1 1L2Y ff_1l2y_1le1
2 SEED=-3059743 PDBREF MINIMIZE CART RESCALE_MODE=0 PDBSTART OVERLAP NOSEARCHSC  &
3 PDBOUT
4 MAXMIN=2000 MAXFUN=5000
5 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
6 WSCLOC=0.10554 WTOR=1.84316 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=0.0                                         &
9 CUTOFF=7.00000 WCORR4=0.00000
10 1L2Y.pdb
11  0
12  0