Software

Molecular Dynamics

AMBER

A suite of biomolecular simulation programs is distributed in two parts: AmberTools and Amber. AmberTools is a set of programs for biomolecular simulation and analysis.

CHARMM

A molecular simulation program with broad application to many-particle systems.

GROMACS

A free and open-source software suite for high-performance molecular dynamics and output analysis.

NAMD

A parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.

OpenMM

A high-performance toolkit for molecular simulation, including extensive language bindings for Python, C, C++, and even Fortran.