[gmx-users] RDF of solvation shell molecules

[Chandan Choudhury]

Hi Sujith,

g_rdf is the tool you need.

Chandan


On Thu, May 22, 2014 at 8:18 PM, sujithkakkat . <sujithks58 at gmail.com>wrote:

> Hello,
>
>     I would like to know if it is possible to plot the RDF of water
> molecules belonging to the solvation shell of a solute. I mean, I want to
> know the effect of the solute on the water arrangement in the solvation
> shell.  Is there a way to do this?
>
> Regards,
>
> Sujith.
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-- 

--
Chandan Kumar Choudhury
National Chemical Laboratory, Pune
India