parameter (maxperm=120)
C Max. number of variables
integer maxvar
- parameter (maxvar=4*maxres)
+ parameter (maxvar=6*maxres)
C Max. number of groups of interactions that a given SC is involved in
integer maxint_gr
parameter (maxint_gr=2)
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=20)
C Max. number of residue types and parameters in expressions for
C virtual-bond angle bending potentials
integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
parameter (max_pool=10)
C Number of energy components
integer n_ene,n_ene2
- parameter (n_ene=23,n_ene2=2*n_ene)
+ parameter (n_ene=25,n_ene2=2*n_ene)
C Number of threads in deformation
integer max_thread,max_thread2
parameter (max_thread=4,max_thread2=2*max_thread)