Science: Chemistry: Computational: Molecular Dynamics

GROMACS is a molecular dynamics package primarily designed for biomolecular systems such as proteins and lipids. It is a free software.

Sections on molecular dynamics include java simulations, visualization and interactivity.

Includes an extensive tutorial, with sample programs in Fortran 90, and links to software packages.

Focuses on parallel molecular dynamics: algorithms, benchmark timings, codes and simulation results. Includes several article references.

NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.

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.

Seascape offers computational chemistry and biology software/services including molecular dynamics calculations.

The primary objectives of the center are to support research in molecular dynamics and encourage cooperation between German and Israeli scientists. The center supports theoretical researches in all branches of chemical physics and biophysics.

The MD Group is concerned with molecular and mesoscopic dynamics simulation studies of complex biomolecular systems such as biopolymers and lipid aggregates.