ICHEC Software
Information about software packages installed on the ICHEC systems.
Amber
Versions Installed
Stokes: 10 / 11
Description
Amber (Assisted Model Building with Energy Refinement), is a general purpose molecular mechanics/dynamics suite which uses analytic potential energy functions, derived from experimental and ab initio data, to refine macromolecular conformations.
License
ICHEC has acquired a site license for the Amber 10 and 11 (AmberTools 1.5) packages. Users should express their interest to the Helpdesk to gain access to the executables.
Benchmarks
N/A.
Additional Notes
To use a version of Amber load the relevant environment module:
module load amber/11