C Max. number of AA residues
integer maxres
c parameter (maxres=250)
- parameter (maxres=100)
+ parameter (maxres=1000)
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=10,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
parameter (maxlob=4)
C Max. number of S-S bridges
integer maxss
- parameter (maxss=20)
+ parameter (maxss=60)
C Max. number of dihedral angle constraints
integer maxdih_constr
parameter (maxdih_constr=maxres)
C Maximum number of terms in SC bond-stretching potential
integer maxbondterm
parameter (maxbondterm=3)
+C Maximum number of templates in homology-modeling restraints
+ integer max_template
+ parameter(max_template=25)
+C Maximum number of bins in SAXS restraints
+ integer MaxSAXS
+ parameter (MaxSAXS=1000)