Gromacs

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Last installed version : 2023.3

Description

GROMACS, which stands for “GROningen MAchine for Chemical Simulations,” is widely used molecular simulation software in the fields of computational chemistry, biochemistry, and biophysics. It allows the simulation of the behavior of molecules in complex systems, such as proteins, lipids, and nucleic acids, using the principles of molecular dynamics.

Set up the environment and version

ml simulation/gromacs

Tutorial

Some tutorials

coming soon

Documentation