Re: [gmx-users] coordination number and g_analysis

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 sh

[gmx-users] coordination number and g_analysis

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 -