Molecular dynamics package designed for simulations of proteins, lipids, and nucleic acids.
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. It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.
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. It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.
To install gromacs, run the following command in macOS terminal (Applications->Utilities->Terminal)
sudo port install gromacs
To see what files were installed by gromacs, run:
port contents gromacs
To later upgrade gromacs, run:
sudo port selfupdate && sudo port upgrade gromacs
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