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

decaiyu dyu at dow.com
Wed Feb 26 20:09:25 CET 2014


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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