[gmx-users] clustering of ions during NPT simulation

[Netaly Khazanov]

Thanks Justin.

On Tue, Jul 2, 2019 at 7:58 PM Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 6/30/19 1:01 AM, Netaly Khazanov wrote:
> > H Justin,
> > I used  amber99sb-ildn FF for the simulation.
> > Which parameters do you suggest to use?
>
> I don't generally use AMBER so I can't comment on which parameters you
> should use, but this is a well-established (and solved) issue in the
> literature and proper parameters are available. You can cross-check
> against the LJ parameters that are implemented in the AMBER force fields
> and determine whether or not you are being plagued by outdated parameters.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
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-- 
Netaly