added source code
[unres.git] / examples / unres / CSA / ALPHABETA / CSA / proteinA / proteinA_alphabeta.inp
1 Protein A                                                                       
2 SEED=-4537645 CSA MINIMIZE TIME=720 SAFETY=10                                   
3 MAXMIN=2000 MAXFUN=5000                                                         
4 NCONF=100 NSTMAX=40000   N1=10 N2=0 N3=0 N4=0 N6=10 IS1=1 IS2=20 NSEED=30      &
5 NTOTAL=40000 CUT1=2.0 CUT2=3.0 ESTOP=-3000.0 IRESTART=0 NCONF_IN=0             &
6 NBANKTM=1000 DELE=20.0 DIFCUT=720.0 IREF=0 RMSCUT=4.0 IZ_SC=1 PNCCUT=0.0        
7 WSC=1.00000 WSCP=1.43178 WELEC=0.41501 WANG=0.37790 WSCLOC=0.12880             &
8 WTOR=1.98784 WCORRH=2.50526 WCORR5=0.23873 WCORR6=0.76327 WEL_LOC=2.97687      &
9 WTURN3=0.09261 WTURN4=0.79171 WTURN6=0.01074 CUTOFF=7.00000 WCORR4=0.00000     &
10 WTORD=0.0
11 48                                                                              
12  D   GLN GLN ASN ALA PHE TYR GLU ILE LEU HIS LEU PRO ASN LEU ASN GLU GLU GLN ARG
13  ASN GLY PHE ILE GLN SER LEU LYS ASP ASP PRO SER GLN SER ALA ASN LEU LEU ALA GLU
14  ALA LYS LYS LEU ASN ASP ALA D                                                  
15  0                                                                              
16  0