<div dir="ltr"><div class="gmail_default" style="font-family:georgia,serif">Hello,<br></div><div class="gmail_default" style="font-family:georgia,serif">I'm using Chimera to optimize the structures of several small-molecule transition metal complexes. The goal is to compare the steric energies of different diastereomers. <br><br></div>I<div style="font-family:georgia,serif;display:inline" class="gmail_default">'ve searched the local documentation on version 1.11.2 (Macintosh) for the term "Minimize structure" but found nothing which actually described the meaning,number format, reference points and units which are produced by the "Minimize Structure" command and appear in the "Reply log".<br><br></div><div style="font-family:georgia,serif;display:inline" class="gmail_default">For example, the potential energy values which are returned can be either < 0 or > 0 (!!)<br></div><div style="font-family:georgia,serif;display:inline" class="gmail_default"><br></div><div style="font-family:georgia,serif;display:inline" class="gmail_default">If a minimization is occurring, then the force field will describe those parameters - but the preceding values make no sense.<br><br></div><div style="font-family:georgia,serif;display:inline" class="gmail_default">Some advice and instruction would be appreciated.<br><br></div><div style="font-family:georgia,serif;display:inline" class="gmail_default">Thanks<br></div><br><div><div class="gmail_default" style="font-family:georgia,serif"><br clear="all"></div><div><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><span style="font-family:georgia,serif"><font size="2"><i>Dr. Fenton
Heirtzler</i><br>-------------------------------<br>Phone: +1-301-312-5145</font></span></div><div><span style="font-family:georgia,serif"><a href="http://www.linkedin.com/in/fentonhorgchem/" target="_blank">LinkedIn</a></span></div></div></div></div></div></div></div></div></div></div></div></div>
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