Difference between revisions of "NAMD"
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== Introduction == | == Introduction == | ||
NAMD, recipient of a 2002 Gordon Bell Award and a 2012 Sidney Fernbach Award, 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. 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. | |||
== Installed version == | == Installed version == |
Revision as of 11:21, 3 May 2017
Introduction
NAMD, recipient of a 2002 Gordon Bell Award and a 2012 Sidney Fernbach Award, 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. 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.
Installed version
The currently installed version of NAMD on the cluster is 2.12-multicore.
Using NAMD on the HPC cluster
If you want to use NAMD on the Cluster, you will have to load the corresponding module first. You can do that by using the command:
module load NAMD
Documentation
The full documentation of NAMD can be found here.