GROMACS Insights

What is GROMACS?

GROMACS (GROningen MOlecular Simulation) is a versatile package to perform molecular dynamics simulations, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily used for research on proteins, lipids, and nucleic acids, but can also simulate a wide range of other molecular systems. It's commonly used for biophysical simulations, drug discovery, and materials science.

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What other technologies are related to GROMACS?

GROMACS Competitor Technologies

NAMD

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. It is a direct competitor to GROMACS.

mentioned alongside GROMACS in 70% (157) of relevant job posts

OpenMM

OpenMM is a toolkit for molecular simulation. It can be used to perform molecular dynamics simulations and is a direct competitor to GROMACS, though more of a library.

mentioned alongside GROMACS in 58% (117) of relevant job posts

LAMMPS

LAMMPS is a classical molecular dynamics code that focuses on materials science simulations but is applicable to biomolecules as well. It competes with GROMACS.

mentioned alongside GROMACS in 33% (199) of relevant job posts

Amber

Amber is both a set of force fields and a molecular dynamics package. Both compete with GROMACS.

mentioned alongside GROMACS in 14% (223) of relevant job posts

CHARMM

CHARMM is a widely used molecular simulation program with its own set of force fields. It competes with GROMACS.

mentioned alongside GROMACS in 56% (55) of relevant job posts

GROMACS Complementary Technologies

Python

Python is often used for pre- and post-processing of GROMACS simulations, such as trajectory analysis. It is also used to write analysis tools used with GROMACS.

mentioned alongside GROMACS in 0% (525) of relevant job posts

R

R can be used for statistical analysis and visualization of data generated from GROMACS simulations, acting as a complimentary tool.

mentioned alongside GROMACS in 0% (147) of relevant job posts

MATLAB

MATLAB can be used for the analysis and visualization of data generated from GROMACS simulations. It offers alternative analysis routes to Python or R.

mentioned alongside GROMACS in 0% (68) of relevant job posts