Package: gromacs
Version: 2025.2-1
Architecture: arm64
Maintainer: Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
Original-Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 589
Depends: gromacs-data (= 2025.2-1), libc6 (>= 2.34), libgcc-s1 (>= 3.3.1), libgromacs10 (>= 2025.2), libopenmpi40 (>= 5.0.7), libstdc++6 (>= 11)
Recommends: cpp, mpi-default-bin
Suggests: pymol
Breaks: gromacs-mpi (<< 2022~), gromacs-mpich (<< 2021.1-2), gromacs-openmpi (<< 2021.1-2)
Replaces: gromacs-mpi (<< 2022~), gromacs-mpich (<< 2021.1-2), gromacs-openmpi (<< 2021.1-2)
Section: science
Priority: optional
Homepage: https://www.gromacs.org/
Description: Molecular dynamics simulator, with building and analysis tools
 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 package contains variants both for execution on a single machine, and
 using the MPI interface across multiple machines.
