[Apbs-users] Question about setting up the electrostatic calculation

[Chen, G. (MU-Student) <gc...@mi...>]

Dear all,

I am trying to calculate the Mg2+ and Na+ binding fractions per nucleotide for a pseudoknot fragment
in Mg^(2+) and Na^(+) mixed solution.
If I set "write qdens dx ...", only the total charge density include
Mg^(2+) and Na^(+) is printed. So how should I set the input file that the Mg2+ and Na+ binding fractions per nucleotide can output separately?

Thank you very much

Gengsheng Chen