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. You can build NAMD yourself or download binaries for a wide variety of platforms. Our tutorials show you how to use NAMD and VMD for biomolecular modeling.

Other Spotlights 

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see also screencast

Who needs a supercomputer to do molecular dynamics? Thanks to Theodore Gray's new "Molecules App" for iPad/iPhone, you can now do molecular dynamics literally with the touch of a finger. "Molecules" by Theodore Gray is the interactive version of his beautifully illustrated book on the properties of the molecules that make up our world. Integrated into "Molecules" is the molecular dynamics code NAMD, which makes it possible to run real-time interactive simulations of the molecules in the book. You can pull, stretch, and twist hundreds of different molecules, or even tie them in knots! By playing with the interactive molecular dynamics simulations, readers can get an intuitive feel for the properties of molecules - not to mention, they are just plain fun to play with. The "Molecules App" is already very popular, and has been chosen for the Editors' Choice list on the App Store. You can see the app for yourself in the iTunes App Store, read more about the creation of the app on Theodore Gray's blog, and see a screencast of honorary group member Sebastian (pictured here) playing with NAMD through the app on the 500 atom molecule maitotoxin.

Overview

Why NAMD? (in pictures)
How to Cite NAMD
Features and Capabilities
Performance Benchmarks
Publications and Citations
Credits and Development Team

Availability

Read the License
Download NAMD Binaries (also VMD)
Build from Source Code - Git access now available
Run at NCSA, SDSC, NICS, or Texas

Training

Enhanced Sampling and Free-Energy Workshop (Sept 10-14, 2018)
NAMD Developer Workshop in Urbana (June 11-12, 2018)
"Hands-On" Workshop in Pittsburgh (May 21-25, 2018)
"Hands-On" QM/MM Simulation Workshop (April 5-7, 2018)
Enhanced Sampling and Free-Energy Workshop (Sept 25-29, 2017)
"Hands-On" Workshop in Pittsburgh (May 30-June 2, 2017)
NAMD Developer Workshop in Chicago (May 22-23, 2017)
"Hands-On" Workshop in Urbana (April 17-21, 2017)
PRACE School on HPC for Life Sciences (April 10-13, 2017)
Older "Hands-On" Workshops

Support

Announcements

Documentation

Related Codes, Scripts, and Examples
NAMD Wiki (Recent Changes)
Older Documentation

News

Prepping for Next-Generation Cray at NERSC
Supercomputing HIV-1 Replication
How GPUs help in the fight against staph infections
Computational Microscope Gets Subatomic Resolution
Opening New Frontiers in the Battle Against HIV/AIDS
HIV Capsid Interacting with Environment
Assembling Life's Molecular Motor
Older News Items