parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
integer maxres
- parameter (maxres=10000)
+ parameter (maxres=20000)
C Max. number of AA residues per chain
integer maxres_chain
parameter (maxres_chain=1200)
c parameter (maxconts=50)
C Max. number of interactions within cutoff per residue
integer maxint_res
- parameter (maxint_res=200)
+ parameter (maxint_res=250)
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 parameter (maxdim_cont=maxres*maxcont_res)
+ parameter (maxdim_cont=maxres*1000)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
parameter (ntyp=24,ntyp1=ntyp+1)