[gmx-users] largest charge group

[Justin Lemkul]

On 12/30/19 12:06 PM, Maryam Sadeghi wrote:
> Thank you very much Justin.
>
> Just to confirm, in case of longer polymers can I assign 1 monomer/bead to
> different charge groups?

I know nothing about your model, but probably yes. Charge groups are 
outdated notions, anyway, and are ignored if you're using the Verlet 
scheme. In atomistic MD, a charge group is formed (in some force fields) 
by chemical moieties of integer charge.

-Justin

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Justin A. Lemkul, Ph.D.
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