gromacs

Molecular dynamics simulator, with building and analysis tools

Command lineScience

Not tested on a device yet. What that means

Commands in the package

demux
gmx
gmx_d
gmx_mpi
gmx_mpi_d
xplor2gmx

About gromacs

From Debian's package 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.
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.

From Debian's description of the gromacs package, under that package's license.

Dependencies

Depends on

gromacs-data
libc6
libgcc-s1
libgromacs10
libopenmpi40
libstdc++6

Recommends

cpp
mpi-default-bin

On x86-64 it also needs sse4.2-support.

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Sources and licenses

Name: the Debian package name.
Summary: Debian's short description of the gromacs package, under that package's license.
Description: Debian's description of the gromacs package, under that package's license.
Versions and sizes: Debian's archive for ARM64, as on packages.debian.org.
Popularity: Debian Popularity Contest counts.