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
editconf -box X Y Z
Dr. Vitaly V. Chaban
On Wed, Feb 26, 2014 at 7:58 PM, decaiyu d...@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
