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* Settings for the program of united-residue peptide simulation in real space  *
*                                                                              *
*                -------  As of 5/10/95 -----------                            *
*                                                                              *
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C Max. number of processors.
      integer maxprocs
      parameter (maxprocs=48)
C Max. number of AA residues
      integer maxres,maxres2
c      parameter (maxres=1200)
      parameter (maxres=5000)
C Max. number of cysteines and other bridging residues
      integer max_cyst
      parameter (max_cyst=100)
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 symetric chains
      integer maxchain
      parameter (maxchain=50)
      integer maxperm
      parameter (maxperm=5040)
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 Max. number of interactions within cutoff per residue
      integer maxint_res
      parameter (maxint_res=200)
C Max. number od residues within distance cufoff from a given residue to
C     include in template-based/contact distance restraints.
      integer maxcont_res
      parameter (maxcont_res=200)
C Max. number of distance/contact-distance restraints
      integer maxdim_cont
      parameter (maxdim_cont=maxres*maxcont_res)
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
      integer maxtor,maxterm,maxlor,maxtermd_1,maxtermd_2,maxtor_kcc,
     & maxval_kcc
      parameter (maxtor=4,maxterm=10,maxlor=3,maxtermd_1=8,maxtermd_2=8)
      parameter (maxtor_kcc=6,maxval_kcc=6)
c Max number of new valence-angle (only) terms
      integer maxang_kcc
      parameter (maxang_kcc=36)
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=31)
C Maximum number of bins in SAXS restraints
      integer MaxSAXS
      parameter (MaxSAXS=1000)
C Maximum number of templates in homology-modeling restraints
      integer max_template
      parameter(max_template=50)
c Maximum number of clusters of templates containing same fragments
      integer maxclust
      parameter(maxclust=1000)
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)
C Maximum number of generated conformations
      integer mxio
      parameter (mxio=2)