Adam's changes to avoid wrong XG.. or ..GX sequence input
[unres.git] / ctest / 1l2y_csa_4P.inp
1 1l2y
2 SEED=-3059743  CSA   MINIMIZE      RESCALE_MODE=0          OVERLAP NOSEARCHSC
3 MAXMIN=3000 MAXFUN=1000
4 NCONF=50  NSTMAX=10000  N1=2 N2=2 N6=5   N3=0 N4=0 N8=0 IS1=1 IS2=25 NSEED=10  &
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 ICMAX=1 IUCUT=2 NBANKM=200
8 WLONG=1.00000 WSCP=2.73684 WELEC=0.06833 WANG=4.15526 WSCLOC=0.16761           &
9 WTOR=2.99546 WTORD=2.89720 WCORRH=1.98989 WCORR5=0.00000 WCORR6=0.00000        &
10 WEL_LOC=1.60072 WTURN3=2.36351 WTURN4=1.34051 WTURN6=0.00000                   &
11 WSCCOR=0.1                                                                     &
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