NAMD

Nanoscale Molecular Dynamics
Developer(s) University of Illinois at Urbana–Champaign: Theoretical and Computational Biophysics Group (TCB), Parallel Programming Laboratory (PPL)
Initial release 1995 (1995)
Stable release
2.11 / December 22, 2015 (2015-12-22)
Development status Active
Written in C++
Operating system Cross-platform: Windows, Linux, macOS, Unix
Platform x86, x86-64
Available in English
Type Molecular dynamics simulation
License Proprietary, freeware for noncommercial use
Website www.ks.uiuc.edu/Research/namd

Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program)[1] is computer software for molecular dynamics simulation, written using the Charm++ parallel programming model. It is noted for its parallel efficiency and is often used to simulate large systems (millions of atoms).[2] It has been developed by the joint collaboration of the Theoretical and Computational Biophysics Group (TCB), and the Parallel Programming Laboratory (PPL), at the University of Illinois at Urbana–Champaign.

It was introduced in 1995 by Nelson et al. as a parallel molecular dynamics code enabling interactive simulation by linking to the visualization code VMD. NAMD has since matured, adding many features and scaling beyond 500,000 processor cores.[3]

NAMD is available as precompiled binaries and as source code, as freeware for non-commercial use by individuals, academic institutions, and corporations for in-house business uses.

See also

References

  1. ↑ "Flexibility and Interoperability in a Parallel Molecular Dynamics Code" (postscript).
  2. ↑ "NAMD A Parallel Object-Oriented Molecular Dynamics Program" (pdf).
  3. ↑ "NAMD: Scalable Molecular Dynamics". Theoretical and Computational Biophysics Group (TCB). University of Illinois at Urbana-Champaign. Retrieved 1 August 2016.
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