[gmx-users] radial density profile

[soumadwip ghosh]

Hi all,
        I am looking for a way to calculate the radial density distribution
of ions surrounding A single stranded DNA axis. Is there a way to calculate
it using g_rdf or some other tool?

I am thinking of taking the g(r) profile and divide it by the volume
element 2*pi*r*h*dr ( where r is the distance values in the x axis, h is
the length of the DNA axis) then probably converting it into a
concentration profile expressed in terms of molarity. I hope the
distribution should converge if the analysis is correct.

Any thoughts on this? Can someone suggest an alternative and more precise
method?

Many thanks in advance.

Soumadwip Ghosh
Research Fellow
IITB
Mumbai
India