[gmx-users] coordination number

[Justin A. Lemkul]

Nilesh Dhumal wrote:
> Hello,
> I am trying to calculate the number of solvent molecular present in the
> first solvation shell.
> How can I can calculate the coordination number of solute in first
> solvation shell.

Search the list archive.  This is just one of a number of useful results for 
"coordination number":

http://lists.gromacs.org/pipermail/gmx-users/2009-December/047175.html

-Justin

> NIlesh
> 
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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