correct writing of dyn_ss for cx and x
[unres.git] / examples / unres / CSA / GAB / CSA / global / unrestrained / reminimize / 1l2y_remini.inp
1 1l2y
2 SEED=-3059743  MULTCONF  RESCALE_MODE=0  OVERLAP NOSEARCHSC MINIMIZE PDBREF
3 MAXMIN=2000 MAXFUN=3000
4 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
5 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
6 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
7 WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000                                     &
8 CUTOFF=7.00000 WCORR4=0.00000
9 1l2y.pdb
10 22
11  D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO 
12  SER D 
13 0
14 0
15 1l2y_csa_GB000.int