NAMD

NAMD, recipient of a 2002 Gordon Bell Award, a 2012 Sidney Fernbach Award, and a 2020 Gordon Bell Prize, is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of cores for typical simulations and beyond 500,000 cores for the largest simulations.

Job Submission

Please note this application will not support multi-node jobs. Your submission script should only have #SBATCH --nodes=1-1. If you have any questions about this please contact Baskerville support.

More Information

For more information visit the NAMD website.

Available Versions

These versions of NAMD are available on Baskerville. These will be retained in accordance with our Applications Support and Retention Policy.