From: Steven Neumann (s.neumann08_at_gmail.com)
Date: Mon Oct 01 2012 - 06:29:23 CDT

Thank you for this.

Steve

On Mon, Oct 1, 2012 at 12:24 PM, Olaf Lenz <olenz_at_icp.uni-stuttgart.de> wrote:
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> Hi!
>
> On 10/01/2012 12:56 PM, Steven Neumann wrote:
>> Shall I then save those coordinates in pdb and/or psf? - I mean is
>> that just a visual effect or when the box is shifted that means my
>> system is not in the box so the water will go to the vacuum while
>> running simulation?
>
> If you are using periodic boundary conditions (and I trust that you
> are), it is purely visual. It doesn't matter where you put the
> boundaries, the system is always the same.
>
> Olaf
>
> - --
> Dr. rer. nat. Olaf Lenz
> Institut für Computerphysik, Pfaffenwaldring 27, D-70569 Stuttgart
> Phone: +49-711-685-63607
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