[gmx-users] Center of mass motion removal

[Justin Lemkul]

On 12/13/19 10:51 AM, Alex wrote:
> Dallas,
> Of course that is doable, but removing those flying molecules is not the
> actual solution specially if one is interested in calculating of some
> properties in presence of all molecules, rather than visualizing them. And
> also, some other molecules might leave the droplet in some stages, so, by
> removing those as well, nothing would remain.

Center on a single molecule that ends up near the middle of the cluster.

-Justin

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Justin A. Lemkul, Ph.D.
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