AMBER: Difference between revisions

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To see a list of installed versions and which other modules they depend on, you can use the <code>module spider</code> [[Using modules#Sub-command_spider|command]] or check the [[Available software]] page.
To see a list of installed versions and which other modules they depend on, you can use the <code>module spider</code> [[Using modules#Sub-command_spider|command]] or check the [[Available software]] page.


== Loading Amber and AmberTools modules ==  <!--T:42-->
== Loading modules ==  <!--T:42-->
<tabs>
<tabs>
<tab name="StdEnv/2020">
<tab name="StdEnv/2020">
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</tabs>
</tabs>


==Using AMBER modules== <!--T:23-->
==Using modules== <!--T:23-->
===AmberTools 21===  
===AmberTools 21===  
Currently, AmberTools 21 module is available on all clusters. AmberTools provide the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP, sander.quick.cuda, and sander.quick.cuda.MPI. After loading the module set AMBER environment variables:
Currently, AmberTools 21 module is available on all clusters. AmberTools provide the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP, sander.quick.cuda, and sander.quick.cuda.MPI. After loading the module set AMBER environment variables:
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