!
! assign  exval = 0.0  end
! 20.363  43.851  12.047
assign  dim   = 110  end
assign  xcent =20.363  end
assign  ycent =43.851  end
assign  zcent =12.047  end
!
read                            ! read
    mol 1                       ! # 1 
    file "1brsA.pdb"           ! from a file
    fpdb                        ! in PDB format
end

set                             ! read
    charge                      ! set the charges
    radius                      ! and the radii of all of the atoms
    param opls                  ! using the parameter set "opls"
    file "uhbd.qtable"          ! from the file 
end

print apar mol1 end             ! check after

elec                            ! calculate the electrostatic potential
   mol1               
   gcenter $xcent $ycent $zcent ! specified center - optional
   dime $dim $dim $dim          ! specified dimensions
   ionstr 150.0                 ! salt concentration data
   rion 2.0                     ! stern layer - important if full pb
   bcfl 2                       ! asymptotical boundaries - usually better than bcfl 1
   spacing 1.00                 ! grid spacing
   maxi 1000                    ! this is too much - actually it takes 60-100
   sdie 78                      ! in water dielectric
end

write phi file "1brsA.grd" binary end 
                                ! binary is smaller than asci - now some 5 M
stop