[gmx-users] radial density profile

soumadwip ghosh soumadwipghosh at gmail.com
Sat Dec 19 11:53:30 CET 2015

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

Many thanks in advance.

Soumadwip Ghosh
Research Fellow

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