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.abra...@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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