c
c
c     ###################################################
c     ##  COPYRIGHT (C)  1990  by  Jay William Ponder  ##
c     ##              All Rights Reserved              ##
c     ###################################################
c
c     ################################################################
c     ##                                                            ##
c     ##  subroutine initial  --  initial values and program setup  ##
c     ##                                                            ##
c     ################################################################
c
c
c     "initial" sets up original values for some parameters
c     and variables that might not otherwise get initialized
c
c
      subroutine initial
      implicit none
      include 'sizes.i'
      include 'align.i'
      include 'argue.i'
      include 'atoms.i'
      include 'bath.i'
      include 'bound.i'
      include 'cell.i'
      include 'files.i'
      include 'inform.i'
      include 'iounit.i'
      include 'keys.i'
      include 'linmin.i'
      include 'minima.i'
      include 'molcul.i'
      include 'mutant.i'
      include 'output.i'
      include 'pdb.i'
      include 'precis.i'
      include 'scales.i'
      include 'sequen.i'
      include 'warp.i'
      include 'zclose.i'
      real*8 precise
c
c
c     number of atoms used in superposition
c
      nfit = 0
c
c     names of biopolymer residue types
c
      call initres
c
c     number of command line arguments
c
      narg = 0
c
c     number of atoms in the system
c
      n = 0
c
c     flags for temperature and pressure baths
c
      isothermal = .false.
      isobaric = .false.
c
c     flags for periodic boundaries
c
      use_bounds = .false.
      use_image = .false.
      use_replica = .false.
c
c     number of unit cell replicates
c
      ncell = 0
c
c     highest numbered previous cycle file
c
      nprior = 0
c
c     information levels within the program
c
      verbose = .false.
      debug = .false.
      abort = .false.
c
c     default input/output unit numbers
c
      input = 5
      iout = 6
c
c     number of lines in the keyfile
c
      nkey = 0
c
c     type of coordinates file
c
      coordtype = 'none'
c
c     number of molecules in the system
c
      nmol = 0
c
c     number of hybrid (mutant) atoms in the system
c
      nhybrid = 0
c
c     number of atoms in Protein Data Bank ATOM records
c
      npdb = 0
c
c     generic parameters used by all optimizations
c
      fctmin = 0.0d0
      maxiter = 0
      nextiter = 0
      iprint = -1
      iwrite = -1
c
c     generic parameters used during line search
c
      cappa = 0.0d0
      stpmin = 0.0d0
      stpmax = 0.0d0
      angmax = 0.0d0
      intmax = 0
c
c     flag to show setting of optimization scale factors
c
      set_scale = .false.
c
c     number of residues and chains in biopolymer sequence
c
      nseq = 0
      nchain = 0
c
c     flag for Gaussian density annealing algorithm
c
      use_gda = .false.
c
c     number of bonds added or deleted from Z-matrix
c
      nadd = 0
      ndel = 0
c
c     display program info and copyright notice
c
      call promo
c
c     determine machine tolerence values
c
      tiny = precise (1)
      small = precise (2)
      huge = precise (3)
c
c     get any command line arguments to the program
c
c     call command
      return
      end
