CASP3 force field deleted. Fixed merge conflicts.
[unres.git] / examples / unres / CSA / E0LL2Y / 1l2y_csa.inp
1 1l2y
2 SEED=-3059743  CSA   MINIMIZE      RESCALE_MODE=0          OVERLAP NOSEARCHSC
3 MAXMIN=3000 MAXFUN=1000
4 NCONF=200  NSTMAX=300000  N1=5 N2=5 N6=10 N3=0 N4=0 N8=0 IS1=1 IS2=25 NSEED=20 &
5 NTOTAL=10000  CUT1=2.0 CUT2=5.0 ESTOP=-900000.0 IRESTART=0 NCONF_IN=0          &
6 DELE=30.0 DIFCUT=720.0 IREF=0 RMSCUT=4.0 IZ_SC=1 PNCCUT=0.6                    &
7 IMAX=1 IUCUT=2 NBANKM=200
8 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
9 WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
10 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
11 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0                                         &
12 CUTOFF=7.00000 WCORR4=0.00000
13 22
14  D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO 
15  SER D 
16 0
17 0