Setting up Gromacs
Please install locally, see https://manual.gromacs.org/2024.4/install-guide/index.html (except if the science IT guys can come up with a way to produce an installation package).
Please install locally, see https://manual.gromacs.org/2024.4/install-guide/index.html (except if the science IT guys can come up with a way to produce an installation package).