The Desmond installations are generally maintained by Torben Rasmussen.
Please contact NSC Support if you have any questions or problems.
Official homepage: www.deshawresearch.com/resources_desmond.html
Desmond is a molecular dynamics code for biomolecular simulations.
You can submit jobs from the Maestro GUI, so the easiest way to get started is to start Maestro and then set up and submit your jobs from there.
Desmond can also be run from the command line. Please contact NSC Support if you need help setting up a script for running Desmond jobs.
When running the Maestro GUI, NSC recommends using ThinLinc to access Triolith.
For more information on how to use ThinLinc, please see: www.nsc.liu.se/systems/triolith/#accessing_triolith_thinlinc
Starting the GUI:
Start a terminal and execute the following on the command line:
$ module load desmond/22.214.171.124-bdist-maestro-2013-1 $ maestro