read                   ! read
    mol 1              ! molecule 1
    file 'prot3.pdb'      ! from pdb file
    pdb                ! in free-format PDB format
end
read                   ! read
    mol 2              ! molecule 1
    file 'prot4.pdb'      ! from pdb file
    pdb                ! in free-format PDB format
end
set
    charge             ! the charges
    radii              ! and the radii
    param CHARMM23        ! using parameter set "amber"
    file 'aheall-atom.charmm.dat'     ! from the file "ahe.dat"
end

elec                   ! calculate the electrostatic potential
    calc
    dime 200 200 200 
    grid 1.00           ! using a grid spacing of 1.0 Angstroms
    all 
    ions 50.0 
    full
    maxits 500
    pdie  2.0
    nsph 200
    sdie 78.4
    rion 2.0
    nmap 1.4           ! use probe-accessible surface
    bcfl 2             ! using boundary condition 2
    gcent   2.821 -0.073 0.815 
end
print elec zenerg all end
print elec energy all end
print elec self   all end
print elec fdcoul all end
print elec tenerg all end

elec                   ! calculate the electrostatic potential
    calc
    dime 200 200 200
    grid 1.00           ! using a grid spacing of 1.0 Angstroms
    mol 1  
    full
    ions 50.0
    maxits 500
    pdie  2.0
    nsph 200
    sdie 78.4
    rion 2.0
    nmap 1.4           ! use probe-accessible surface
    bcfl 2             ! using boundary condition 2
    gcent   2.821 -0.073 0.815
end
print elec zenerg mol 1 end
print elec energy mol 1 end
print elec self   mol 1 end
print elec fdcoul mol 1 end
print elec tenerg mol 1 end

elec                   ! calculate the electrostatic potential
    calc
    dime 200 200 200
    grid 1.00           ! using a grid spacing of 1.0 Angstroms
    mol 2  
    full
    ions 50.0
    maxits 500
    pdie  2.0
    nsph 200
    sdie 78.4
    rion 2.0
    nmap 1.4           ! use probe-accessible surface
    bcfl 2             ! using boundary condition 2
    gcent   2.821 -0.073 0.815
end
print elec zenerg mol 2 end
print elec energy mol 2 end
print elec self   mol 2 end
print elec fdcoul mol 2 end
print elec tenerg mol 2 end

stop

