<p>Hi Yun,</p>
<p>For comparison, the conditions have to be equal. That does not include possible hardware issues. So you should be fine. </p>
<p>Cheers,</p>
<p>Tsjerk</p>
<p><blockquote type="cite">On Oct 11, 2011 4:41 AM, "Yun Shi" <<a href="mailto:yunshi09@gmail.com">yunshi09@gmail.com</a>> wrote:<br><br>Hi Justin,<br><br>I guess you are right, that some processors on that cluster appear to be much slower than others.<br>
<br>But I am still wondering that, would the difference in initial maximum inter charge-group distances (0.451 nm vs 0.450 nm) and minimum initial size of DD gird (0.620nm vs 0.618nm) make the two simulations NOT comparable? Because I want to compare the interactions of two different ligands with the same protein.<br>
<br>Thanks,<br><font color="#888888">Yun<br>
</font><br>--<br>
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