integer maxres
c parameter (maxres=250)
c parameter (maxres=1200)
- parameter (maxres=5000)
+ parameter (maxres=10000)
+C Max. number of cysteines and other bridging residues
+ integer max_cyst
+ parameter (max_cyst=100)
C Appr. max. number of interaction sites
integer maxres2
parameter (maxres2=2*maxres)
c Max. number of chains
integer maxchain
- parameter (maxchain=6)
+ parameter (maxchain=50)
C Max number of symetries
integer maxsym,maxperm
- parameter (maxsym=maxchain,maxperm=720)
+ parameter (maxsym=maxchain,maxperm=120)
C Max. number of variables
integer maxvar
parameter (maxvar=4*maxres)
C Max. number of contacts per residue
integer maxconts
parameter (maxconts=maxres)
+C Max. number of interactions within cutoff per residue
+ integer maxint_res
+ parameter (maxint_res=200)
+C Max. number od residues within distance cufoff from a given residue to
+C include in template-based/contact distance restraints.
+ integer maxcont_res
+ parameter (maxcont_res=200)
+C Max. number of distance/contact-distance restraints
+ integer maxdim_cont
+ parameter (maxdim_cont=maxres*maxcont_res)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
parameter (ntyp=24,ntyp1=ntyp+1)
parameter (maxlob=4)
C Max. number of S-S bridges
integer maxss
- parameter (maxss=20)
+ parameter (maxss=max_cyst*(max_cyst-1)/2)
C Max. number of dihedral angle constraints
integer maxdih_constr
parameter (maxdih_constr=maxres)