https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php?action=history&feed=atom&title=OPTIM 2026-05-14T01:31:05Z Revision history for this page on the wiki MediaWiki 1.39.7 https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php?title=OPTIM&diff=148&oldid=prev 2013-09-11T11:10:51Z

<p><span dir="auto"><span class="autocomment">Tutorials</span></span></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 11:10, 11 September 2013</td> </tr><tr> <td colspan="2" class="diff-lineno">Line 16:</td> <td colspan="2" class="diff-lineno">Line 16:</td> </tr> <tr> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Debugging odd transition states in OPTIM]]</div></td> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Debugging odd transition states in OPTIM]]</div></td> </tr> <tr> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Connecting two minima with a pathway]] - step by step</div></td> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Connecting two minima with a pathway]] - step by step</div></td> </tr> <tr> <td colspan="2" class="diff-empty diff-side-deleted"></td> <td class="diff-marker" data-marker="+"></td> <td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>* [[Instanton tunneling and classical rate calculations with OPTIM]]</div></td> </tr> </table>

import>Jbr36 https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php?title=OPTIM&diff=147&oldid=prev 2013-02-04T17:30:27Z

<p></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 17:30, 4 February 2013</td> </tr><tr> <td colspan="2" class="diff-lineno">Line 11:</td> <td colspan="2" class="diff-lineno">Line 11:</td> </tr> <tr> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[OPTIM output files]]</div></td> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[OPTIM output files]]</div></td> </tr> <tr> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Minimizing a structure using OPTIM and AMBER9]]</div></td> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Minimizing a structure using OPTIM and AMBER9]]</div></td> </tr> <tr> <td colspan="2" class="diff-empty diff-side-deleted"></td> <td class="diff-marker" data-marker="+"></td> <td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>* [[Minimizing a structure using OPTIM and CHARMM]]</div></td> </tr> <tr> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Creating movies (.mpg) of paths using OPTIM]]</div></td> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Creating movies (.mpg) of paths using OPTIM]]</div></td> </tr> <tr> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM)]]</div></td> <td class="diff-marker"></td> <td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>* [[Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM)]]</div></td> </tr> </table>

import>Jmc49 https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php?title=OPTIM&diff=146&oldid=prev 2011-03-14T14:02:36Z

<p>New page: A program for optimizing geometries and calculating reaction pathways. The OPTIM homepage is located [http://www-wales.ch.cam.ac.uk/OPTIM/ here]. ==Info== * [[The effect of calculating l...</p> <p><b>New page</b></p><div>A program for optimizing geometries and calculating reaction pathways. The OPTIM homepage is located [http://www-wales.ch.cam.ac.uk/OPTIM/ here].<br /> <br /> ==Info==<br /> <br /> * [[The effect of calculating less than the maximum number of eigenvalues using ENDHESS n]]<br /> <br /> == Tutorials ==<br /> These tutorials are under development. Please correct any mistakes you find and, of course, feel free to add more!<br /> <br /> * [[Adding a model to OPTIM]]<br /> * [[OPTIM output files]]<br /> * [[Minimizing a structure using OPTIM and AMBER9]]<br /> * [[Creating movies (.mpg) of paths using OPTIM]]<br /> * [[Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM)]]<br /> * [[Debugging odd transition states in OPTIM]]<br /> * [[Connecting two minima with a pathway]] - step by step</div>

import>Jmc49