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
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
c Max number of torsional terms in SCCOR
integer maxterm_sccor
- parameter (maxterm_sccor=3)
+ parameter (maxterm_sccor=6)
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,