+++ /dev/null
-c
-c
-c ###################################################
-c ## COPYRIGHT (C) 1992 by Jay William Ponder ##
-c ## All Rights Reserved ##
-c ###################################################
-c
-c #############################################################
-c ## ##
-c ## sizes.i -- parameter values to set array dimensions ##
-c ## ##
-c #############################################################
-c
-c
-c "sizes.i" sets values for critical array dimensions used
-c throughout the software; these parameters will fix the size
-c of the largest systems that can be handled; values too large
-c for the computer's memory and/or swap space to accomodate
-c will result in poor performance or outright failure
-c
-c parameter: maximum allowed number of:
-c
-c maxatm atoms in the molecular system
-c maxval atoms directly bonded to an atom
-c maxgrp user-defined groups of atoms
-c maxtyp force field atom type definitions
-c maxclass force field atom class definitions
-c maxkey lines in the keyword file
-c maxrot bonds for torsional rotation
-c maxvar optimization variables (vector storage)
-c maxopt optimization variables (matrix storage)
-c maxhess off-diagonal Hessian elements
-c maxlight sites for method of lights neighbors
-c maxvib vibrational frequencies
-c maxgeo distance geometry points
-c maxcell unit cells in replicated crystal
-c maxring 3-, 4-, or 5-membered rings
-c maxfix geometric restraints
-c maxbio biopolymer atom definitions
-c maxres residues in the macromolecule
-c maxamino amino acid residue types
-c maxnuc nucleic acid residue types
-c maxbnd covalent bonds in molecular system
-c maxang bond angles in molecular system
-c maxtors torsional angles in molecular system
-c maxpi atoms in conjugated pisystem
-c maxpib covalent bonds involving pisystem
-c maxpit torsional angles involving pisystem
-c
-c
- integer maxatm,maxval,maxgrp
- integer maxtyp,maxclass,maxkey
- integer maxrot,maxopt
- integer maxhess,maxlight,maxvib
- integer maxgeo,maxcell,maxring
- integer maxfix,maxbio
- integer maxamino,maxnuc,maxbnd
- integer maxang,maxtors,maxpi
- integer maxpib,maxpit
- parameter (maxatm=maxres2)
- parameter (maxval=8)
- parameter (maxgrp=1000)
- parameter (maxtyp=3000)
- parameter (maxclass=500)
- parameter (maxkey=10000)
- parameter (maxrot=1000)
- parameter (maxopt=1000)
- parameter (maxhess=1000000)
- parameter (maxlight=8*maxatm)
- parameter (maxvib=1000)
- parameter (maxgeo=1000)
- parameter (maxcell=10000)
- parameter (maxring=10000)
- parameter (maxfix=10000)
- parameter (maxbio=10000)
- parameter (maxamino=31)
- parameter (maxnuc=12)
- parameter (maxbnd=2*maxatm)
- parameter (maxang=3*maxatm)
- parameter (maxtors=4*maxatm)
- parameter (maxpi=100)
- parameter (maxpib=2*maxpi)
- parameter (maxpit=4*maxpi)