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NAMD

Version: 
2.13,2.14 (GALILEO, M100) 2.12 (MARCONI)

NAMD, recipient of a 2002 Gordon Bell 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 processors on high-end parallel platforms and tens of processors on commodity clusters using gigabit ethernet. 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.

Target user: 
academic
Support level: 
full
Help and documentation: 
  • You can find documentation on the system, with the command

module help namd

  • You can find benchmarks documentation on the web, at this web page

.http://www.hpc.cineca.it/content/namd-benchmark

  • The manual is on the web  at the original home page

http://www.ks.uiuc.edu/Research/namd/

  • CINECA consultants can be reached through the addr:

superc@cineca.it

Miscellanea: 

This has been downloaded as the binary (32 bit).
The license is for academic user only.
All work published which is based on use of the NAMD code must cite it as better specified in the document How to cite NAMD

NAMD benchmark

Deadline: 
01/01/2022