Molecular dynamics package designed for simulations of proteins, lipids, and nucleic acids.: (THIS PORT INSTALLS A VERSION OF GROMACS PATCHED WITH PLUMED)
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.: (THIS PORT INSTALLS A VERSION OF GROMACS PATCHED WITH PLUMED)
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.: (THIS PORT INSTALLS A VERSION OF GROMACS PATCHED WITH PLUMED)
PLUMED is linked with runtime binding. By setting the environment variable PLUMED_KERNEL to the path of libplumedKernel.dylib you can replace your own PLUMED library at runtime. By default, ${prefix}/lib/libplumedKernel.dylib is linked.
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gromacs-plumed seems to have been updated (port version: 2021.3, new version: 2024.4)
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