Coordination number of water molecules in the solvation shell

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GROMACS version: 2021.4
GROMACS modification: No
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Hi All,
I am doing MD simulations for halides in water. I need to calculate the average coordination number of water molecules in the solvation shell of the ions. How can I do that using GROMACS?

Cheers, Kal

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Hi,
to evaluate the coordination number, you can use the tool gmx rdf ( gmx rdf — GROMACS 2022.2 documentation) with the option -cn
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