<div dir="ltr">Thanks Mark.<br>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.<br>
Your answer helped me.<br>It is now a matter of choosing the box dimensions & table extension that will be reasonable yet not increase the computation time too much.<br>--Omer.<br clear="all"> <br>Koby Levy research group,<br>
Weizmann Institute of Science. <br>FAX: 972-77-444-7905<br><a href="http://www.weizmann.ac.il/sb/faculty_pages/Levy/">http://www.weizmann.ac.il/sb/faculty_pages/Levy/</a><br>
<br><br><div class="gmail_quote">On Wed, Aug 26, 2009 at 16:03, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div id=":zw" class="ii gt">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 :-)<br>
<br>
Mark</div></blockquote></div><br></div>