Differences

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--- software:gromacs:gromacs [2018-03-01 13:19] – [GROMACS] sraskar
+++ software:gromacs:gromacs [2023-03-29 14:04] (current) – [Details by cluster] anita
@@ Line 1: / Line 1: @@
 ====== GROMACS ======
-[[http://www.gromacs.org/About_Gromacs|GROMACS]] (GROningen MAchine for Chemical Simulations) is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
+[[http://www.gromacs.org|GROMACS]] (GROningen MAchine for Chemical Simulations) is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
 To determine the available versions of GROMACS installed use
@@ Line 8: / Line 8: @@
 $ vpkg_versions gromacs
 </code>
-===== Batch job =====
-Templates for Grid Engine queue submission scripts are available for batch GROMACS jobs in ''/opt/templates/gridengine/gromacs''.  Copy and edit the template based on your job by following the usage described in ''gromacs.qs''.
+=====Details by cluster=====
+  * [[software:gromacs:caviness | Caviness]]
+  * [[software:gromacs:darwin | DARWIN]]
+  * [[software:gromacs:farber | Farber]]
+  * [[software:gromacs:mills| Mills]]
-<note tip>It is a good idea to periodically check in ''/opt/templates/gridengine/gromacs'' on a specific cluster for changes in existing templates, or the addition of new templates, designed to provide the best performance for a particular version of GROMACS on that cluster.</note>