[gmx-users] clustering of ions during NPT simulation

[Justin Lemkul]

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and determine whether or not you are being plagued by outdated parameters.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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