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There is a misunderstanding here about noticing.<br><br>For efficiency reasons, the code does not check if atoms are beyond the table length.<br>So the code does not care about or notice anything.<br>However, you do care, since you do not want random forces.<br>(Although in nearly all cases the force will be, or zero: fine, no artifacts,<br>or 10^30: immediate crash of mdrun).<br><br>Berk<br><br><hr id="stopSpelling">Date: Thu, 27 Aug 2009 17:18:13 +0300<br>Subject: Re: [gmx-users] table extension<br>From: omermar@gmail.com<br>To: gmx-users@gromacs.org<br><br><div dir="ltr">But what if the gmx code did notice it?<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="EC_gmail_quote">On Thu, Aug 27, 2009 at 16:21, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br><blockquote class="EC_gmail_quote" style="padding-left: 1ex;">
<div id="EC_:17c" class="EC_ii EC_gt">It would look up a non-random energy and force. If the code never noticed the distance was out-of-range, it won't notice it come back into range either.</div></blockquote></div><br></div><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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