[gmx-users] how to increase vacuum thickness in a periodic system

[Dr. Vitaly Chaban]

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Dr. Vitaly V. Chaban


On Wed, Feb 26, 2014 at 7:58 PM, decaiyu <dyu at dow.com> wrote:
> Dear All,
>
> I ran a NVT simulation with a layer of oil+vaccuum.
> Because of periodic boundary condition, there are some molecules on the top
> of vaccuum layer.
> Now I want to increase the vaccum thickness so that I can add some water in
> it.
> Is there a simple way to do that?
> The molecules on the top of the layer causes some trouble.
>
> Regards,
> Decai
>
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