On Mon, Nov 09, 2020, MADHUSMITA DEVI wrote:
>
>I would like to know if the addions/ addions2 command in leap work for
>salts having a polyatomic anion.
Have you tried this? I would suggest adding ions before adding waters,
since a polyatomic ion would displace more than one water molecule.
Alternatives are packmol and AddToBox.
....dac
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Received on Mon Nov 09 2020 - 06:00:04 PST
