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
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search
before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists