c
c
c     ###################################################
c     ##  COPYRIGHT (C)  1992  by  Jay William Ponder  ##
c     ##              All Rights Reserved              ##
c     ###################################################
c
c     ###############################################################
c     ##                                                           ##
c     ##  module solute  --  continuum solvation model parameters  ##
c     ##                                                           ##
c     ###############################################################
c
c
c     maxneck     maximum number of neck correction atom radius bins
c
c     doffset     dielectric offset to continuum solvation atomic radii
c     onipr       probe radius to use with onion Born radius method
c     p1          single-atom scale factor for analytical Still radii
c     p2          1-2 interaction scale factor for analytical Still radii
c     p3          1-3 interaction scale factor for analytical Still radii
c     p4          nonbonded scale factor for analytical Still radii
c     p5          soft cutoff parameter for analytical Still radii
c     descoff     offset for pairwise descreening at small separation
c     rneck       atom radius bins used to store Aij/Bij neck constants
c     aneck       constants to use in calculating neck values
c     bneck       constants to use in calculating neck values
c     rsolv       atomic radius of each atom for continuum solvation
c     rdescr      atomic radius of each atom for descreening
c     asolv       atomic surface area solvation weight parameters
c     rborn       Born radius of each atom for GB/SA solvation
c     drb         solvation derivatives with respect to Born radii
c     drbp        GK polarization derivatives with respect to Born radii
c     drobc       chain rule term for Onufriev-Bashford-Case radii
c     gpol        polarization self-energy values for each atom
c     shct        Hawkins-Cramer-Truhlar radius overlap scale factors 
c     aobc        alpha values for Onufriev-Bashford-Case radii
c     bobc        beta values for Onufriev-Bashford-Case radii
c     gobc        gamma values for Onufriev-Bashford-Case radii
c     vsolv       atomic volume of each atom for use with ACE
c     wace        "omega" values for atom class pairs for use with ACE
c     s2ace       "sigma^2" values for atom class pairs for use with ACE
c     uace        "mu" values for atom class pairs for use with ACE
c     sneck       pairwise neck correction scale factor for each atom
c     bornint     unscaled 1/r^6 corrections for tanh chain rule term
c     useneck     logical flag to use neck interstitial space correction
c     usetanh     logical flag to use tanh interstitial space correction
c     
c
c
      module solute
      implicit none
      integer maxneck
      parameter (maxneck=45)
      real*8 doffset,onipr
      real*8 p1,p2,p3,p4,p5
      real*8 descoff
      real*8 rneck(maxneck)
      real*8 aneck(maxneck,maxneck)
      real*8 bneck(maxneck,maxneck)
      real*8, allocatable :: rsolv(:)
      real*8, allocatable :: rdescr(:)
      real*8, allocatable :: asolv(:)
      real*8, allocatable :: rborn(:)
      real*8, allocatable :: drb(:)
      real*8, allocatable :: drbp(:)
      real*8, allocatable :: drobc(:)
      real*8, allocatable :: gpol(:)
      real*8, allocatable :: shct(:)
      real*8, allocatable :: aobc(:)
      real*8, allocatable :: bobc(:)
      real*8, allocatable :: gobc(:)
      real*8, allocatable :: vsolv(:)
      real*8, allocatable :: wace(:,:)
      real*8, allocatable :: s2ace(:,:)
      real*8, allocatable :: uace(:,:)
      real*8, allocatable :: sneck(:)
      real*8, allocatable :: bornint(:)
      logical useneck
      logical usetanh
      save
      end