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C PREXPLOR.DIM
C ============
C  this file contains most parameters which define array dimensions in 
C  XPLOR.  It serves as a template file for the PREXPLOR program.
C 
C By Axel T. Brunger 
C ++++++++++++++++++ 
C
C-PRECOMP-UPPERCASE
C-PRECOMP-INLINE-INCLUDE-FILES
C-PRECOMP-CONVERT-FORTRAN-EXTENSIONS
CC-PRECOMP-INDENT
CC-PRECOMP-INDENTATION-SPACES=1
CC-PRECOMP-MAXIMUM-OUTPUT-LINE-LENGTH=072
CC-PRECOMP-COMPRESS
CC-PRECOMP-SINGLE-PRECISION
CC-PRECOMP-REMOVE-COMMENTS
CC-PRECOMP-REMOVE-ON-LINE-HELP
C 
C==================================================================
C maximum number of atoms (in PSF, DERIV, COORD, COORDC, CONST) 
      PARAMETER (MAXA=35000)    !!
      PARAMETER (MAXAT5=35000)  !!
      PARAMETER (MAXAT6=35000)  !!
      PARAMETER (MAXAT3=35000)  !! all these have to be changed
      PARAMETER (MAXAT4=35000)  !! simultaneously !!!
      PARAMETER (MAXA2=35000)   !!
C maximum number of PSF bonds (in PSF, CODES)
      PARAMETER (MAXB=35000)
C maximum number of PSF angles (in PSF, CODES)
      PARAMETER (MAXT=30000)
C maximum number of PSF dihedrals (in PSF, CODES)
      PARAMETER (MAXP=30000)
C maximum number of PSF improper dihedrals (in PSF, CODES)
      PARAMETER (MAXIMP=12000)
C maximum number of PSF donors and acceptors (in PSF)
      PARAMETER (MAXPAD=10000)
C maximum number of groups (in PSF)
      PARAMETER (MAXGRP=35000)
C maximum number of explicit nonbonding exclusions (in PSF)
      PARAMETER (MAXNB=8000)
C
C===================================================================
CDYNAMIC CSTACK
C maximum CSTACK size (CSTACK) !! twice the maximum number of atoms
      PARAMETER (CSTKSI=70000)
C
C=================================================================
C
CSBOUND
C maximum number of grid points of potential (SBOUND)
      PARAMETER (NMFTAB=400)
C maximum number of tables (SBOUND)
      PARAMETER (NMCTAB=6)
C maximum number of atoms referring to a particular table: (SBOUND)
      PARAMETER (NMCATM=4000)
C dimension of spline 
      PARAMETER (NSPLIN=6)
C
C================================================================
C
C ***********************************************************
C The following parameters normally don't need to be adjusted 
C ***********************************************************
C
C maximum number of double selections
      PARAMETER (NDSMAX=60)  !!
      PARAMETER (NDSMA2=60)  !!
      PARAMETER (NDSMA3=60)  !! change these simulaneously !!
      PARAMETER (NDSMA4=60)  !!
      PARAMETER (NDSMA5=60)  !!
C================================================================
CPARAMETERS 
C Maximum number of bond parameters (PARAM)
      PARAMETER (MAXCB=1000) 
C Maximum number of bond angles parameters (PARAM)
      PARAMETER (MAXCT=7000)
C Maximum number of dihedral parameters (PARAM)
      PARAMETER (MAXCP=1000)
C Maximum number of improper torsion parameters (PARAM)
      PARAMETER (MAXCI=1000)
C Maximum number of non-bonding atom types (PARAM)
      PARAMETER (MAXCN=300)
C
C================================================================
CRTF
C maximum number of mass default specifications in RTF (RTF)
      PARAMETER (MAXAT2=1000)
C maximum number of residues in RTF (RTF)
      PARAMETER (MXRTRS=200, NICM=50)
C maximum number of atoms in RTF (RTF)
      PARAMETER (MXRTA=2000)
C maximum number of explicit non-bonding exclusions in RTF (RTF)
      PARAMETER (MXRTX=2000)
C maximum number of bonds in RTF (RTF)
      PARAMETER (MXRTB=2000) 
C maximum number of angles in RTF (RTF)
      PARAMETER (MXRTT=2000) 
C maximum number of dihedrals in RTF (RTF)
      PARAMETER (MXRTP=2000) 
C maximum number of impropers in RTF (RTF)
      PARAMETER (MXRTI=2000) 
C maximum number of acceptors in RTF (RTF)
      PARAMETER (MXRTHA=300) 
C maximum number of donors in RTF (RTF)
      PARAMETER (MXRTHD=300) 
C maximum number of IC's in RTF (RTF)
      PARAMETER (MXRTBL=2000) 
C==================================================================
CCOMAND, SYMBOL
C
C variables for command parsing
      PARAMETER (WDMAX=80, WDTMAX=80, WDDMAX=80)
      PARAMETER (COMMAX=132)
      PARAMETER (DISMAX=132)
      PARAMETER (MXSTRM=10)
      PARAMETER (ENDMAX=20)
      PARAMETER (BUFMAX=80000)
      PARAMETER (CMDPMX=80, NCMDPR=256)
      PARAMETER (MAXUN=99)
      PARAMETER (MXTITL=32)
      PARAMETER (TITMAX=132)
C
C=================================================================
CENERGIES
      PARAMETER (NENR=28)
C
C=================================================================
CSCALAR
      PARAMETER (MAXSTO=9)
C
C=================================================================
CXREFIN  
C maximum number of atomic scattering types 
      PARAMETER (XRSM=20)
C
C maximum number of crystallographic symmetry operators
      PARAMETER (XRMSYM=192)
C
C=================================================================
CNOE
C maximum number of NOE classes
      PARAMETER (NOECMX=20)
C
C=================================================================
CIC
      PARAMETER (MAXLIC=4000)
Modified: Mon Sep 18 16:00:00 1995 GMT
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