namd¶
Description¶
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD uses the popular molecular graphics program VMD for simulation setup and trajectory analysis, but is also file-compatible with AMBER, CHARMM, and X-PLOR.
NGC Catalog¶
https://ngc.nvidia.com/catalog/containers/hpc:namd
Available Versions on RCAC Clusters¶
| Cluster | Versions |
|---|---|
| ANVIL | 3.0-alpha3-singlenode (D), 3.0.1 |
| GAUTSCHI | 3.0-beta5 |
| GILBRETH | 2.13-multinode, 2.13-singlenode (D), 3.0-alpha3-singlenode |
| SCHOLAR | 2.13-multinode, 2.13-singlenode (D), 3.0-alpha3-singlenode |
(D): Default Module
Module¶
You can load the container module by:
Note for using namd
Run module spider namd beforehand to check available versions and any prerequisite modules.