[gmx-users] table extension

[Omer Markovitch]

Thanks Mark.
I am simulating a dimer in vacuum, and it is my understanding that once a
non-bonded interaction has exceeded the table-extension cutoff this
interaction will NOT be included in the potential for the remaining
simulation, even if it will later come back to a distance within the
table-extension.
Your answer helped me.
It is now a matter of choosing the box dimensions & table extension that
will be reasonable yet not increase the computation time too much.
--Omer.

Koby Levy research group,
Weizmann Institute of Science.
FAX: 972-77-444-7905
http://www.weizmann.ac.il/sb/faculty_pages/Levy/


On Wed, Aug 26, 2009 at 16:03, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:

> Probably not... if you're asking this question because you suspect
> something's not working properly, you might get enlightenment/a fix quicker
> if you're more explicit :-)
>
> Mark
>
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