NAMD

Overview

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. NAMD is distributed free of charge with source code.

Web Page

Official website

Versions

2.12

Flavours

1

Architecture

x86_64

Group
module load site-local
Build Details

Compiled with:

Usage
module load namd/2.1.2/1
Example Job Scripts

None yet.

Status

Partially tested.

3

Architecture

x86_64

Group
module load site-local-development
Build Details

Compiled with:

Usage
module load namd/2.1.2/3
Example Job Scripts

None yet.

Status

Partially tested.