Introduction

AMBER is a suite of programs for molecular calculations, including molecular dynamics.

WestGrid has purchased a license for AMBER 10, which allows access to the AMBER executables only to users who have agreed to the license conditions.

A few points about using AMBER on WestGrid systems are given below. Please write to support@westgrid.ca if you have questions about running this software that are not answered here.

Like other jobs on WestGrid systems, AMBER jobs are run by submitting an appropriate script for batch scheduling using the qsub command. See documentation on running batch jobs for more information.

License

 Please review the license terms at http://ambermd.org/amber10.license.html .

Running AMBER on Bugaboo

AMBER 10 has been installed on Bugaboo.  To use it there, please run the following command at least once interactively:

module load amber

You will be asked to accept the Amber license. After that you can use the "module load amber" command to access the software in job submission scripts.