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* Settings for the program of united-residue peptide simulation in real space  *
*                                                                              *
*                -------  As of 6/23/01 -----------                            *
*                                                                              *
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c      implicit real*8 (a-h,o-z)
C Max. number of processors.
c      parameter (maxprocs=128)
C Max. number of fine-grain processors
c      parameter (max_fg_procs=maxprocs)
C Max. number of coarse-grain processors
c      parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
      integer maxres
c      parameter (maxres=250)
c      parameter (maxres=1200)
      parameter (maxres=10000)
C Max. number of cysteines and other bridging residues
      integer max_cyst
      parameter (max_cyst=100)
C Appr. max. number of interaction sites
      integer maxres2
      parameter (maxres2=2*maxres)
c Max. number of chains
      integer maxchain
      parameter (maxchain=50)
C Max number of symetries
       integer maxsym,maxperm
       parameter (maxsym=maxchain,maxperm=5040)
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      parameter (maxdim=10000)
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
c      parameter (maxdim_cont=maxres*maxcont_res)
      parameter (maxdim_cont=maxres*1000)
C Number of AA types (at present only natural AA's will be handled
      integer ntyp,ntyp1
      parameter (ntyp=24,ntyp1=ntyp+1)
      integer nntyp
      parameter (nntyp=ntyp*(ntyp+1)/2)
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,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=max_cyst*(max_cyst-1)/2)
C Max. number of dihedral angle constraints
      integer maxdih_constr
      parameter (maxdih_constr=maxres)
C Max. number of patterns in the pattern database
      integer maxseq
      parameter (maxseq=1000)
C Max. number of residues in a peptide in the database
      integer maxres_base
      parameter (maxres_base=1000)
C Max. number of threading attempts
      integer maxthread
      parameter (maxthread=2000)
C Max. number of move types in MCM
      integer maxmovetype
      parameter (maxmovetype=4)
C Max. number of stored confs. in MC/MCM simulation
      integer maxsave
      parameter (maxsave=2000)
C Max. number of conformations in Master's cache array
      integer max_cache
      parameter (max_cache=1000)
C Max. number of conformations in the pool
      integer max_pool
      parameter (max_pool=1000)
C Number of threads in deformation
      integer max_thread,max_thread2
      parameter (max_thread=40,max_thread2=2*max_thread)     
C Number of steps in DSM
      integer max_step
      parameter (max_step=1)
C Number of structures to compare at t=0
      integer max_threadss,max_threadss2
      parameter (max_threadss=80,max_threadss2=2*max_threadss)
C Maxmimum number of angles per residue
      integer mxang
      parameter (mxang=4)
C Maximum number of groups of angles
      integer mxgr
      parameter (mxgr=2*maxres)
C Maximum number of chains
      integer mxch
      parameter (mxch=1)
C Maximum number of generated conformations
      integer mxio
      parameter (mxio=1000)
C Maximum number of seed
      integer max_seed
      parameter (max_seed=100)
C Maximum number of structures for ZSCORE for each protein
      integer maxzs
      parameter (maxzs=2)
C Maximum number of structures stored for comparison for ZSCORE for each protein
      integer maxzs1
      parameter (maxzs1=6)
C Maximum number of proteins for ZSCORE
      integer maxprotzs
      parameter (maxprotzs=1)
C Maximum number of conf in rmsdbank
      integer maxrmsdb
      parameter (maxrmsdb=110)
C Maximum number of bankt conformations
      integer mxiot
      parameter (mxiot=mxio)
c Maximum number of conformations in MCMF
      integer maxstr_mcmf
      parameter (maxstr_mcmf=800)
c Maximum number of families in MCMF
      integer maxfam_p 
      parameter (maxfam_p=20)
c Maximum number of structures in family in MCMF
      integer maxstr_fam
      parameter (maxstr_fam=40)
C Maximum number of threads in MCMF
      integer maxthread_mcmf
      parameter (maxthread_mcmf=10)
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 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)