If orientation matters, I'd find another way. 3-5 atoms and special
attention to equilibration might be easier to plow through, but packmol
sounds like a better solution in general based on name and reputation,
and may be worth learning in the long run.
Bill
On 11/8/20 8:57 PM, MADHUSMITA DEVI wrote:
> Dear Amber Users,
>
> I would like to know if the addions/ addions2 command in leap work for salts having a polyatomic anion.
>
> Thank you in advance.
>
> With regards,
> Madhusmita Devi
>
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Received on Mon Nov 09 2020 - 07:00:03 PST
