On Wed, Aug 04, 2010, Tom Williams wrote:
>
> I am wondering if Amber can simulate the infinite *mobile* surface.
> The surface is NOT fixed with position or frozen, but is actually
> bonded with PBC images
> though PBC box boundaries.
> PBC
> image | simulat. cell | PBC image
> For example: for the suface -A-B-C-: in PBC
> ----A----B----C-----A----B----C------A----B----C
>
> Does Amber have this kind of functionalities?
No....only nonbonded forces can operate across unit cell boundaries.
...dac
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Received on Wed Aug 04 2010 - 04:30:04 PDT
