# params00-08 
# Ion1 - 0.02 M; Ion2 - 0.004 M; Ion Size - 2 A
# Valence1 = 1 e; Valence2 - 1 e

read
   mol pqr DNA25.pdb.pqr
end

elec name duplexAsolv
   mg-auto
   mol 1
   ion charge 1 conc 2.0 radius 3.58 
   ion charge 2 conc 0.000 radius 4.28 
   ion charge -1 conc 2.0 radius 3.32
   cglen 200 200 200
   fglen 192 192 192
   dime 129 129 129
   cgcent mol 1 
   fgcent mol 1 
   bcfl mdh
   pdie 2.0
   sdie 78.54
   srfm smol
   chgm spl0
   srad 1.4
   swin 0.3
   smpbe vol 7 size 1000
   sdens 10
   temp 298.15
   calcenergy total
   calcforce no
   write pot dx solvated-DNA-pot
   write charge dx DNA-charge
   write dielx dx solvated-DNA-dielx
   write diely dx solvated-DNA-diely
   write dielz dx solvated-DNA-dielz
   write kappa dx solvated-DNA-kappa
end

elec name duplexAref
   mg-auto
   mol 1
   ion charge 1 conc 2.0 radius 3.58 
   ion charge 2 conc 0.000 radius 4.28 
   ion charge -1 conc 2.0 radius 3.32
   cglen 200 200 200
   fglen 192 192 192
   dime 129 129 129
   cgcent mol 1 
   fgcent mol 1 
   bcfl mdh
   pdie 2.0
   sdie 2.0
   srfm smol
   chgm spl0
   srad 1.4
   swin 0.3
   smpbe vol 7 size 1000
   sdens 10
   temp 298.15
   calcenergy total
   calcforce no
   write pot dx ref-DNA-pot
   write dielx dx ref-DNA-dielx
   write diely dx ref-DNA-diely
   write dielz dx ref-DNA-dielz
   write kappa dx ref-DNA-kappa
end

quit
