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GROMACS and UVA HPC
Description GROMACS is a versatile package to perform molecular dynamics,
i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
Software Category: chem
For detailed information, visit the GROMACS website.
Available Versions To find the available versions and learn how to load them, run:
module spider gromacs The output of the command shows the available GROMACS module versions.
For detailed information about a particular GROMACS module, including how to load the module, run the module spider command with the module’s full version label. For example:
module spider gromacs/2025.1 ModuleVersion Module Load Command gromacs2025.1 module load nvhpc/25.
