1L2Y clustering
-nres=22 n_ene=18 ncut=0 cutoff=-58.0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
+nres=22 ncut=0 cutoff=-58.0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
iopt=1 temper=280 one_letter tormode=2
WSC=0.81230 WSCP=1.20420 WELEC=0.87690 WBOND=1.00000 WANG=1.97730 &
WSCLOC=0.063657 WTOR=1.41540 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000 &