# READ IN MOLECULES
read                                                
    mol pqr ion.pqr
end

elec name born
   mg-auto
   mol 1
   bcfl mdh
   pdie 2.0
   sdie 78.54
   srfm smol
   chgm spl2
   srad 1.4
   swin 0.3
   sdens 10.0
   smpbe vol 3 size 5
   temp 298.15
   calcenergy total
   calcforce no

   fglen 32 32 32
   cglen 64 64 64
   dime   65 65 65

   fgcent 0 0 0
   cgcent 0 0 0

   ion charge 1 conc 0.1 radius 1.7
   ion charge 1 conc 0.1 radius 1.7
   ion charge -1 conc 0.2 radius 1.7

   write pot dx pot
end 

print elecEnergy born end

quit
