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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