GROMACS
Biochemistry
Physics
Computational Chemistry
FreeAdvancedUpdated May 19, 2024
GROMACS is one of the fastest and most popular molecular dynamics simulation software packages. It is primarily designed for biochemical molecules like proteins, lipids, and nucleic acids that have a lot of complicated bonded interactions, but is also used for non-biological systems like polymers.
PlatformDesktop (Linux, macOS, Windows via WSL)
SkillsComputational Chemistry, Linux CLI, Physics
TechniquesMolecular Dynamics, Simulation, Biophysics
Tags
Molecular Dynamics
Simulation
Biophysics
Open Source
High Performance Computing