GROMACS
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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.
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.
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.
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.
Amber
Amber is both a set of force fields and a molecular dynamics package. Both compete with GROMACS.
CHARMM
CHARMM is a widely used molecular simulation program with its own set of force fields. It competes with GROMACS.
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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.
R
R can be used for statistical analysis and visualization of data generated from GROMACS simulations, acting as a complimentary tool.
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.
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Which job functions commonly mention GROMACS?
Chemist
0.2% of all Chemist jobs mention GROMACS
View 172
jobs on Sumble
Research Scientist
0.1% of all Research Scientist jobs mention GROMACS
View 42
jobs on Sumble
Scientist
0.1% of all Scientist jobs mention GROMACS
View 235
jobs on Sumble
Researcher
267 Researcher jobs mention GROMACS
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jobs on Sumble
Engineering & R&D
812 Engineering & R&D jobs mention GROMACS
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jobs on Sumble
Which organizations are mentioning GROMACS?
KTH Royal Institute of Technology
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