The AMBER home page is http://ambermd.org.

To use AMBER, you’ll use the module tool.

You can see what versions are available by using:

[me@login01 ~]$ module avail amber/

------------------------------ /opt/modulefiles -------------------------------
   amber/18.17

Use "module spider" to find all possible modules and extensions.
Use "module keyword key1 key2 ..." to search for all possible modules matching
any of the "keys".

To load a specific version, you would use:

[me@login01 ~]$ module load amber/18.17

while the “amber” wildcard will load the default version, afni-18.07 in this case.

You should now be able to run AMBER commands:

[me@login01 ~]$ which sander
/export/amber/amber-18.07/bin/sander

The MPI binaries and mpirun should also now be in your path:

[me@login01 ~]$ which sander.MPI
/export/amber/amber-18.07/bin/sander.MPI

as well as the CUDA-enabled binary:

[me@login01 ~]$  which pmemd.cuda
/export/amber/amber-18.07/bin/pmemd.cuda

[!Note] AMBER is only available to people who own a valid license. If you own a license and would like to run AMBER on the cluster, please let us know.**