correct writing of dyn_ss for cx and x
[unres.git] / examples / unres / CSA / GAB / CSA / global / unrestrained / ene / 1l2y_remini.inp
1 1l2y
2 SEED=-3059743  MULTCONF  RESCALE_MODE=0  OVERLAP NOSEARCHSC PDBREF
3 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
4 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
5 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
6 WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000                                     &
7 CUTOFF=7.00000 WCORR4=0.00000
8 1l2y.pdb
9 22
10  D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO 
11  SER D 
12 0
13 0
14 1l2y_csa_GB000.int