f7a47ba13dbce43f08e937953dcdff8673ce5b62
[unres.git] / ctest / newcorr / 1L2Y_clust.inp
1 1L2Y clustering
2 nres=22 n_ene=18 ncut=0 cutoff=-58.0   pdbref rescale=2 PRINT_CART PDBOUT=1    &
3 iopt=1 temper=280 one_letter tormode=2
4 WSC=0.81230 WSCP=1.20420 WELEC=0.87690 WBOND=1.00000 WANG=1.97730              &
5 WSCLOC=0.063657 WTOR=1.41540 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000       &
6 WCORR6=0.00000 WEL_LOC=0.036638 WTURN3=1.45110 WTURN4=0.00000 WTURN6=0.00000   &
7 WSCCOR=0.00000 WVDWPP=0.33393 WHPB=1.00000 WSCP14=0.00000                      &
8 CUTOFF=7.00000 WCORR4=0.00000
9 XNLYIQWLKDGGPSSGRPPPSX
10  0
11 1L2Y.pdb