<br /><br /><span>On 19/07/11, <b class="name">&quot;Marzinek, Jan&quot; </b> &lt;j.marzinek10@imperial.ac.uk&gt; wrote:</span><blockquote cite="mid:787E9EFEEFC7384580812E4CA26D4F44051218@icexch-m4.ic.ac.uk" class="iwcQuote" style="border-left: 1px solid rgb(0, 0, 255); padding-left: 13px; margin-left: 0pt;" type="cite"><div class="mimepart text html"><span xmlns="http://www.w3.org/TR/REC-html40" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:v="urn:schemas-microsoft-com:vml" xmlns:w="urn:schemas-microsoft-com:office:word"><p>

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<p class="MsoNormal">Dear Gromacs Users,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">As I know for the Energy Minimization algorithms both Steepest Descent and Conjugate Gradient will not provide a global minimum of the potential energy but only a local minium.<o:p></o:p></p>
<p class="MsoNormal">Does anyone know how Gromacs choose the starting point on the potential energy hypersurface for the beginning of Energy Minimization?
</p></div></td></tr></tbody></table></p></span></div></blockquote><br />You choose it with the starting configuration you provide to grompp.<br /><br />Mark<o:p><br /></o:p><blockquote cite="mid:787E9EFEEFC7384580812E4CA26D4F44051218@icexch-m4.ic.ac.uk" class="iwcQuote" style="border-left: 1px solid rgb(0, 0, 255); padding-left: 13px; margin-left: 0pt;" type="cite"><div class="mimepart text html"><span xmlns="http://www.w3.org/TR/REC-html40" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:v="urn:schemas-microsoft-com:vml" xmlns:w="urn:schemas-microsoft-com:office:word"><p><table><tbody><tr><td lang="EN-GB" link="blue" vlink="purple"><div><br/></div>
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