[gmx-users] rdf coordination number over time (ns)

[Arun Srikanth]

Hi if you have rdf it is easy to calculate the coordination number by
numerical integration

https://en.wikibooks.org/wiki/Molecular_Simulation/Radial_Distribution_Functions

Arun

On Mon, Nov 26, 2018 at 11:38 AM Maria Luisa <ml.perrotta at itm.cnr.it> wrote:

> Dear users,
> I need to calculate rdf coordination number over time. I have a pdb
> trajecory of 200 ns, from which I want to evaluate  g(r) and CN of Na-Cl,
> Na-O, Cl-O. My gromacs works with VMD, but I cannot do coordination number
> in function of time! Can you help me?
>
> Maria Luisa
>
>
> Maria Luisa Perrotta
> Ph.D Student, CNR-ITM
> via P.Bucci, 87036 Rende (Cs)
> Italy
> email: ml.perrotta at itm.cnr.it
>
>
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