added source code
[unres.git] / examples / unres / CSA / ALPHA / CSA / proteinA_alpha.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=0.72364 WELEC=1.10890 WANG=0.68702 WSCLOC=1.79888             &
8 WTOR=0.30562 WCORRH=1.09616 WCORR5=0.17452 WCORR6=0.36878 WEL_LOC=0.19508      &
9 WTURN3=0.00000 WTURN4=0.55588 WTURN6=0.11539 CUTOFF=7.00000 WCORR4=0.0000      &
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