On Tue, Jan 21, 2020, DHEERAJ CHITARA wrote:
>
>How periodic boundary conditions works with different box types in amber18.
I think you will need to ask a more specific question. There is really
only one "type" of box in Amber: a triclinic unit cell repeated via
translations. There are a few places where a separate calculation is
done for rectangular or "truncated ocataheral" boxes, but those are just
done for (rather minor) gains in efficiency.
...dac
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Received on Tue Jan 21 2020 - 10:00:02 PST
