Hi - Take a look at moft, most of its functionality was built for analyzing ion counting simulations. Cylindrical Rdf's could probably br a good way to start analyzing your simulations.
George
> On Oct 18, 2022, at 06:26, angad sharma via AMBER <amber.ambermd.org> wrote:
>
> Dear amber users,
> I want to calculate the number of ions with respect to distance from the
> DNA. I have a system consisting of many ions, I want a plot of,* ion
> concentration vs distance* from dna.
> Is there any way to do this in cpptraj ? , where we can increment the
> distance from DNA in step wise say 1Å and corresponding this distance from
> DNA we can get the number ions present and this must continue till bulk
> reaches over the entire trajectory.
>
> *-------------------------------------------------*
> *With Regards*
> *Angad Sharma*
>
> *Research Scholar*
> *School of Computational & Integrative Sciences*
>
> *Jawaharlal Nehru University*
> *New Delhi 110067, (INDIA)*
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Received on Tue Oct 18 2022 - 16:00:03 PDT
