[gmx-users] coordination number and g_analysis

[Marcelo A. Carignano]

I'll rather use: g_rdf -cn

Marcelo.

On Apr 4, 2011, at 4:17 PM, Nilesh Dhumal wrote:

> Hello,
>
> I want to calculat the coordination number of solute in first  
> solvation
> shell.
>
> integration of (4*pi*r^2*g(r)) from 0 to 2.6 A(first solvation shell)
>
> If I calcualte the g_rdf for first solvation shell (till 2.6 A) and  
> then I
> integrate this using g_analysis.
>
> Can I go this way.
>
> Nilesh
>
>
>
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