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The MD Group
The MD Group is concerned with molecular and mesoscopic dynamics simulation studies of complex biomolecular systems such as biopolymers and lipid aggregates.
GROMACS: The World's fastest Molecular Dynamics - and it's GPL!
GROMACS is a molecular dynamics package primarily designed for biomolecular systems such as proteins and lipids. It is a free software.
NWChem High Performance Computational Chemistry Software
NWChem is a computational chemistry software capable of molecular dynamics simulations. It is designed to run on parallel computers and it is developed by the Pacific Northwest National Laboratory.
Molecular Dynamics
Includes an extensive tutorial, with sample programs in Fortran 90, and links to software packages.
NAMD Scalable Molecular Dynamics
NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.
Home page - Dennis Rapaport
Sections on molecular dynamics include java simulations, visualization and interactivity.
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