[gmx-users] coordination number and g_analysis
Marcelo A. Carignano
cari at northwestern.edu
Mon Apr 4 23:51:56 CEST 2011
I'll rather use: g_rdf -cn
On Apr 4, 2011, at 4:17 PM, Nilesh Dhumal wrote:
> I want to calculat the coordination number of solute in first
> 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.
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