On 23/01/2012 5:19 PM, Ravi Kumar Venkatraman wrote:
Dear All,
I have situation rite now like, I have to take the Solute
and Solvent Coordinates from First Coordination Shell / FCS + Second
CS. Please give me some suggestion for doing the same.
Have a think about what geometric criterion you might need to use, and
check out manual section 7.4, chapter 8 and Appendix D for clues to what
tools do.
Mark
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