NAMD Credits
Please be sure to cite NAMD properly in your publications.
Looking for help with NAMD? Please read this first.
You may contact the current development team at namd@ks.uiuc.edu.
Fancy brochure on our glamorous lives: Bringing Computing to Life
Current Team
- James Phillips (Physics Ph.D., Senior Research Programmer)
- Chee Wai Lee (CS graduate student)
- David Kunzman (CS graduate student)
- Chao Mei (CS graduate student)
- Eric Bohm (Charm++ Research Programmer)
- Abhinav Bhatele (CS graduate student)
- Osman Sarood (CS graduate student)
- Sameer Kumar (IBM research staff)
- TCBG students prepare tutorials and teach workshops.
Principal Investigators
- Klaus Schulten, Theoretical and Computational Biophysics Group
- Laxmikant V. Kalé, Parallel Programming Laboratory
- Robert D. Skeel, Bionumerics Research Group (left Illinois in 2005)
Primary Authors
- James Phillips (versions 2.0-2.7)
- Peter Freddolino (version 2.7)
- Chris Harrison (version 2.7 collective variables)
- Christophe Chipot (version 2.4 alchemical free energy, version 2.6 adaptive biasing force, version 2.7 collective variables)
- Floris Buelens (version 2.7 thermodynamic integration and tail corrections)
- Eric Bohm (version 2.7)
- Abhinav Bhatele (version 2.7)
- Chee Wai Lee (version 2.7)
- Chao Mei (version 2.7)
- David Kunzman (version 2.7)
- Sameer Kumar (versions 2.5-2.7)
- Jérôme Hénin (version 2.6 adaptive biasing force)
- Gengbin Zheng (versions 2.1-2.5)
- Surjit B. Dixit (version 2.4 alchemical free energy)
- Paul Grayson (version 2.4 GROMACS compatibility)
- Fangqiang Zhu (version 2.3 AMBER compatibility)
- Robert Brunner (versions 1.3-2.2)
- Justin Gullingsrud (verion 2.1 PME and interactive MD features)
- Milind Bhandarkar (version 2.0)
- Aritomo Shinozaki (version 2.0)
- David Hardy (version 1.5)
- David Hurwitz (version 2.0 free energy perturbation features)
- Neal Krawetz (versions 1.5-2.0)
- Attila Gursoy (versions 1.0-1.5, 2.0 design)
- Mark Nelson (versions 1.0-1.4)
- Bill Humphrey (versions 1.0-1.4)
- Andrew Dalke (version 1.0)
Supporting Software
- Versions 1.0 - 1.5 were based on PVM.
- Versions 2.0 and later are based on Charm++.
- Versions 2.2 and later use FFTW in the PME algorithm.
- The fast multiple algorithm was once implemented with DPMTA.
- Particle mesh Ewald was once implemented with DPME.
Funding Sources
External Development Platforms
footer