Excuse me, I don't understand. Could you please explain more in details on this? What do you mean to multiply by 4.184? I have seen many similar numbers following the examples of bonds in the comment lines in the force field files, but I never understood them. <br>
<br>Thanks!<br><br>Yan<br><br><br><div class="gmail_quote">On Sun, May 24, 2009 at 10:34 AM, David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</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 class="im">Mark Abraham wrote:<br>
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Yan Chai wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
On Sun, May 24, 2009 at 8:42 AM, Mark Abraham wrote:<br>
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; -CH2-S- 0.7<br>
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This is a comment line.<br>
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What's the meaning of the number 0.7 in this comment line?<br>
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multiply by 4.184<div class="im"><br>
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