C Max. number of AA residues
integer maxres
c parameter (maxres=250)
- parameter (maxres=100)
+ parameter (maxres=500)
C Appr. max. number of interaction sites
integer maxres2
parameter (maxres2=2*maxres)
C Max number of symetries
integer maxsym,maxperm
- parameter (maxsym=5,maxperm=120)
+ parameter (maxsym=12,maxperm=120)
C Max. number of variables
integer maxvar
parameter (maxvar=4*maxres)
parameter (maxconts=maxres)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
- parameter (ntyp=20,ntyp1=ntyp+1)
+ parameter (ntyp=24,ntyp1=ntyp+1)
integer nntyp
parameter (nntyp=ntyp*(ntyp+1)/2)
C Max. number of types of dihedral angles & multiplicity of torsional barriers