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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 Max. number of processors.
      integer maxprocs
      parameter (maxprocs=2048)
C Max. number of fine-grain processors
      integer max_fg_procs
c      parameter (max_fg_procs=maxprocs)
      parameter (max_fg_procs=512)
C Max. number of coarse-grain processors
      integer max_cg_procs
      parameter (max_cg_procs=maxprocs)
C Max. number of AA residues
      integer maxres
      parameter (maxres=1200)
C Appr. max. number of interaction sites
      integer maxres2,maxres6,mmaxres2
      parameter (maxres2=2*maxres,maxres6=6*maxres)
      parameter (mmaxres2=(maxres2*(maxres2+1)/2))
C Max number of symetric chains
      integer maxsym
      parameter (maxsym=50)
      integer maxperm
      parameter (maxperm=120) 
C Max. number of variables
      integer maxvar
      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)
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/4)
c      parameter (maxconts=50)
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
C and the number of terms in double torsionals
      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 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 torsional terms in SCCOR
      integer maxterm_sccor
      parameter (maxterm_sccor=6)
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 patterns in the pattern database
      integer maxseq
      parameter (maxseq=10)
C Max. number of residues in a peptide in the database
      integer maxres_base
      parameter (maxres_base=10)
C Max. number of threading attempts
      integer maxthread
      parameter (maxthread=20)
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=20)
C Max. number of energy intervals
      integer max_ene
      parameter (max_ene=10)
C Max. number of conformations in Master's cache array
      integer max_cache
      parameter (max_cache=10)
C Max. number of conformations in the pool
      integer max_pool
      parameter (max_pool=10)
C Number of energy components
      integer n_ene,n_ene2
      parameter (n_ene=21,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)     
C Number of structures to compare at t=0
      integer max_threadss,max_threadss2
      parameter (max_threadss=8,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=2)
C Maximum number of n7 generated conformations
      integer mxio2
      parameter (mxio2=2)
C Maximum number of moves (n1-n8)
      integer mxmv
      parameter (mxmv=18)
C Maximum number of seed
      integer max_seed
      parameter (max_seed=1)
C Maximum number of timesteps for which stochastic MD matrices can be stored
      integer maxflag_stoch
      parameter (maxflag_stoch=0)
C Maximum number of backbone fragments in restraining
      integer maxfrag_back
      parameter (maxfrag_back=4)
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 conformation stored in cache on each CPU before sending
C to master; depends on nstex / ntwx ratio
      integer max_cache_traj
      parameter (max_cache_traj=10)