[gmx-users] RDF of solvation shell molecules
iitdckc at gmail.com
Thu May 22 18:08:52 CEST 2014
g_rdf is the tool you need.
On Thu, May 22, 2014 at 8:18 PM, sujithkakkat . <sujithks58 at gmail.com>wrote:
> 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?
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Chandan Kumar Choudhury
National Chemical Laboratory, Pune
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