http://docs.snic.se/w/index.php?action=history&feed=atom&title=MD%2FCHARMM_course_at_HPC2N_%284_May_2017%29 2026-05-11T21:51:49Z Revision history for this page on the wiki MediaWiki 1.31.10 http://docs.snic.se/w/index.php?title=MD/CHARMM_course_at_HPC2N_(4_May_2017)&diff=7351&oldid=prev 2020-02-28T08:33:26Z

<p></p> <table class="diff diff-contentalign-left" 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: #222; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #222; text-align: center;">Revision as of 08:33, 28 February 2020</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1" >Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>{{training event info</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>{{training event info</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|description=Computational Chemistry - MD/CHARMM course in Umeå</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|description=Computational Chemistry - MD/CHARMM course in Umeå</div></td></tr> <tr><td class='diff-marker'>−</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>|fields=High performance computing; <del class="diffchange diffchange-inline">Charmm</del>; Molecular dynamics</div></td><td class='diff-marker'>+</td><td style="color: #222; 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>|fields=High performance computing; <ins class="diffchange diffchange-inline">CHARMM</ins>; Molecular dynamics</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|event type=Course</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|event type=Course</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|location=Umeå</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|location=Umeå</div></td></tr> </table>

Torben Rasmussen (NSC) http://docs.snic.se/w/index.php?title=MD/CHARMM_course_at_HPC2N_(4_May_2017)&diff=7325&oldid=prev 2020-02-28T08:16:30Z

<p></p> <table class="diff diff-contentalign-left" 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: #222; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #222; text-align: center;">Revision as of 08:16, 28 February 2020</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1" >Line 1:</td> <td colspan="2" class="diff-lineno">Line 1:</td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>{{training event info</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>{{training event info</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|description=Computational Chemistry - MD/CHARMM course in Umeå</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|description=Computational Chemistry - MD/CHARMM course in Umeå</div></td></tr> <tr><td class='diff-marker'>−</td><td style="color: #222; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>|fields=High performance computing<del class="diffchange diffchange-inline">, charmm, </del>Molecular dynamics</div></td><td class='diff-marker'>+</td><td style="color: #222; 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>|fields=High performance computing<ins class="diffchange diffchange-inline">; Charmm; </ins>Molecular dynamics</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|event type=Course</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|event type=Course</div></td></tr> <tr><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|location=Umeå</div></td><td class='diff-marker'>&#160;</td><td style="background-color: #f8f9fa; color: #222; 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>|location=Umeå</div></td></tr> </table>

Torben Rasmussen (NSC) http://docs.snic.se/w/index.php?title=MD/CHARMM_course_at_HPC2N_(4_May_2017)&diff=6734&oldid=prev 2017-03-20T14:09:06Z

<p>Created page with &quot;{{training event info |description=Computational Chemistry - MD/CHARMM course in Umeå |fields=High performance computing, charmm, Molecular dynamics |event type=Course |location...&quot;</p> <p><b>New page</b></p><div>{{training event info<br /> |description=Computational Chemistry - MD/CHARMM course in Umeå<br /> |fields=High performance computing, charmm, Molecular dynamics<br /> |event type=Course<br /> |location=Umeå<br /> |start date=2017-05-04<br /> |end date=2017-05-04<br /> }}<br /> <br /> == Course overview ==<br /> This one day course is an introduction to Computational Chemistry and MD Simulations, with half of the time dedicated to running CHARMM at HPC2N.<br /> There will be a hands-on. <br /> <br /> == Topics ==<br /> * Short intro to HPC2N, running a batch job<br /> * Basics on Molecular Dynamics simulations<br /> ** Force Field<br /> ** Ensembles<br /> ** Beyond classical MD simulations: Accelerated MD, Umbrella Sampling, Coarse Graining, Alchemical method<br /> * Using CHARMM at HPC2N <br /> ** Setting up a simulation<br /> ** Minimization<br /> ** Solvation &amp; Equilibration<br /> ** Production run<br /> ** Some analysis tools<br /> <br /> Participations is free. Lunch and coffee will be provided. <br /> <br /> == Course web page and registration ==<br /> For more information and registration refer to the <br /> [https://www.hpc2n.umu.se/events/courses/md-simulations-spring2017 Course webpage]</div>

Birgitte Brydsoe (HPC2N)