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.
Fashioning NAMD: A History of Risk and Reward by Lisa Pollack
Current Team
- NAMD User Support
- James Phillips (Physics Ph.D., NCSA Blue Waters)
- David Hardy (CS Ph.D., Senior Research Programmer)
- Ryan McGreevy (Research Programmer)
- Julio Maia (Research Programmer)
- Brian Radak (Research Programmer)
- Wei Jiang (Argonne Lab)
- Jérôme Hénin (Colvars)
- Giacomo Fiorin (Colvars)
- TCBG students prepare tutorials and teach workshops.
Principal Investigators
- Emad Tajkhorshid, Theoretical and Computational Biophysics Group
- Klaus Schulten (In Memoriam), 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 2.0-2.12)
- Antti-Pekka Hynninen (In Memoriam) (versions 2-11-2.12 CUDA kernel improvements)
- Brian Radak (versions 2.11-2.12 vdwForceSwitching LJcorrection and alchemical cleanup, constant pH)
- Marcelo C.R. Melo (version 2.12 QM/MM)
- Rafael C. Bernardi (version 2.12 QM/MM)
- Till Rudack (version 2.12 QM/MM)
- Jérôme Hénin (version 2.6 adaptive biasing force, version 2.7-2.12 collective variables)
- Giacomo Fiorin (version 2.7-2.12 collective variables)
- David Hardy (version 1.5, version 2.9 Drude model, version 2.10 multilevel summation method)
- Eric Bohm (versions 2.7-2.10)
- Yanhua Sun (versions 2.9-2.10 Cray XE/XK optimization)
- Nikhil Jain (version 2.10 native Charm++ inter-replica communication)
- Sameer Kumar (versions 2.5-2.7, versions 2.8-2.10 IBM Blue Gene and POWER optimizations)
- David Kunzman (version 2.7, version 2.10 Xeon Phi support)
- Ryan McGreevy (version 2.9 symmetry restraints)
- Chao Mei (versions 2.7-2.9 memory optimization, parallel I/O, and scaling)
- David Tanner (versions 2.8-2.9 implicit solvent)
- Chris Harrison (version 2.7 collective variables (validation into NAMD only), alchemical free energy methods, and soft core potentials)
- David B. Wells (version 2.7 Grid Forces)
- Peter Freddolino (version 2.7 tabulated potentials and TIP4P support)
- Robert Brunner (version 2.7 tabulated potentials, Grid Forces multiple grids and distributed grid storage)
- Abhinav Bhatele (version 2.7)
- Chee Wai Lee (version 2.7)
- Floris Buelens (version 2.7 thermodynamic integration and tail corrections)
- Surjit B. Dixit (version 2.4 alchemical free energy perturbation)
- Christophe Chipot (version 2.4 alchemical free energy, version 2.6 adaptive biasing force)
- Gengbin Zheng (versions 2.1-2.5)
- 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 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 2.0 and later are based on Charm++.
- Versions 2.0 and later use Tcl/Tk for scripting.
- Versions 2.2 and later use FFTW in the PME algorithm.
- Simulation setup, analysis, and visualization are done with VMD.
- Versions 1.0 - 1.5 were based on PVM.
- The fast multiple algorithm was once implemented with DPMTA.
- Particle mesh Ewald was once implemented with DPME.
