[gmx-users] coordination number and g_analysis

[Nilesh Dhumal]

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