Adasko's dir

[unres.git] / source / cluster / wham / src-NEWSC / DIMENSIONS

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+********************************************************************************
+* Settings for the program of united-residue peptide simulation in real space  *
+*                                                                              *
+*                -------  As of 5/10/95 -----------                            *
+*                                                                              *
+********************************************************************************
+C Max. number of processors.
+      integer maxprocs
+      parameter (maxprocs=16)
+C Max. number of AA residues
+      integer maxres,maxres2
+      parameter (maxres=650)
+C Appr. max. number of interaction sites
+      parameter (maxres2=2*maxres)
+C Max. number of variables
+      integer maxvar
+      parameter (maxvar=4*maxres)
+C Max. number of groups of interactions that a given SC is involved in
+      integer maxint_gr
+      parameter (maxint_gr=2)
+C Max. number of derivatives of virtual-bond and side-chain vectors in theta
+C or phi.
+      integer maxdim
+      parameter (maxdim=(maxres-1)*(maxres-2)/2)
+C Max. number of SC contacts
+      integer maxcont
+      parameter (maxcont=12*maxres)
+C Max. number of contacts per residue
+      integer maxconts
+      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)
+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=6)
+C Max. number of residue types and parameters in expressions for
+C virtual-bond angle bending potentials
+      integer maxthetyp,maxthetyp1,maxtheterm,maxtheterm2,maxtheterm3,
+     &  maxsingle,maxdouble,mmaxtheterm
+      parameter (maxthetyp=3,maxthetyp1=maxthetyp+1,maxtheterm=20,
+     & maxtheterm2=6,maxtheterm3=4,maxsingle=6,maxdouble=4,
+     & mmaxtheterm=maxtheterm)
+C Max. number of lobes in SC distribution
+      integer maxlob
+      parameter (maxlob=4)
+C Max. number of S-S bridges
+      integer maxss
+      parameter (maxss=20)
+C Max. number of dihedral angle constraints
+      integer maxdih_constr
+      parameter (maxdih_constr=maxres)
+C Max. number of energy components
+      integer max_ene
+      parameter (max_ene=20)
+C Max. number of temperatures
+      integer maxt
+      parameter (maxT=5)
+C Maximum number of SC local term fitting function coefficiants
+      integer maxsccoef
+      parameter (maxsccoef=65)
+C Maximum number of terms in SC bond-stretching potential
+      integer maxbondterm
+      parameter (maxbondterm=3)