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
--
========================================
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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