<p>Hi Simon,</p>
<p>pdb2gmx takesthe first structure. Taking an average would ba awkward, as it is unlikely to correspond to a real structure.</p>
<p>Cheers,</p>
<p>Tsjerk</p>
<p><blockquote type="cite">On Jun 30, 2011 6:02 PM, "simon sham" <<a href="mailto:ssham44@yahoo.com">ssham44@yahoo.com</a>> wrote:<br><br><table cellspacing="0" cellpadding="0" border="0"><tr><td valign="top" style="font:inherit">
Hi,<br>I have a question about pdb2gmx. If a pdb file contains a multiple structures, will it average the coordinates or just pick one of the structures to convert?<br><br>Thanks for your insight.<br><font color="#888888"><br>
Simon<br></font></td></tr></table><br>--<br>
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