integer maxcont
parameter (maxcont=12*maxres)
C Max. number of contacts per residue
- integer maxconts
+ integer maxconts,maxcontsshi
parameter (maxconts=maxres)
-c parameter (maxconts=50)
+ parameter (maxcontsshi=50)
C Number of AA types (at present only natural AA's will be handled
integer ntyp,ntyp1
parameter (ntyp=24,ntyp1=ntyp+1)
C Max. number of types of dihedral angles & multiplicity of torsional barriers
C and the number of terms in double torsionals
- integer maxtor,maxterm,maxlor,maxtermd_1,maxtermd_2
+ integer maxtor,maxterm,maxlor,maxtermd_1,maxtermd_2,maxtermkcc
parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
+ parameter (maxtermkcc=40)
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,