[gmx-users] table extension
omermar at gmail.com
Thu Aug 27 10:06:27 CEST 2009
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
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.
Koby Levy research group,
Weizmann Institute of Science.
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 :-)
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