parameter (maxprocs=16)
C Max. number of AA residues
integer maxres,maxres2
- parameter (maxres=650)
+ parameter (maxres=1000)
C Appr. max. number of interaction sites
parameter (maxres2=2*maxres)
C Max. number of variables
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)
C Max. number of types of dihedral angles & multiplicity of torsional barriers
integer maxtor,maxterm,maxlor,maxtermd_1,maxtermd_2
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,
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)
parameter (maxperm=120)
C Max. number of energy components
integer max_ene
- parameter (max_ene=21)
+ parameter (max_ene=25)
C Max. number of temperatures
integer maxt
parameter (maxT=5)
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)