Package: gromacs (2024.4-1 and others)

[ Source: gromacs  ]

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.

Tags: Field: Biology, Structural Biology, field::chemistry, implemented-in::c, User Interface: Command Line, interface::graphical, interface::x11, Role: Program, Interface Toolkit: X library, X Window System: Application

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• dep: gromacs-data (= 2020.5-4) [alpha]

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  dep: gromacs-data (= 2021.4-2) [hppa, m68k, sh4, x32]

  dep: gromacs-data (= 2023.1-2) [ia64]

  dep: gromacs-data (= 2024.4-1) [not alpha, hppa, ia64, m68k, sh4, x32]

• dep: libc6 (>= 2.16) [x32]

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  dep: libc6 (>= 2.32) [sh4]

  dep: libc6 (>= 2.34) [not alpha, hppa, ia64, m68k, sh4, x32]

  dep: libc6 (>= 2.7) [hppa, m68k]

• dep: libc6.1 (>= 2.36) [ia64]

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  dep: libc6.1 (>= 2.7) [alpha]

• dep: libgcc-s1 (>= 3.0) [not hppa, ia64, m68k, sh4]

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  dep: libgcc-s1 (>= 3.3.4) [sh4]

• dep: libgcc-s2 (>= 4.2.1) [m68k]

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• dep: libgcc-s4 (>= 4.1.1) [hppa]

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• dep: libgromacs5 (>= 2020.5) [alpha]

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• dep: libgromacs6 (>= 2021.4) [hppa, m68k, sh4, x32]

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• dep: libgromacs8 (>= 2023.1) [ia64]

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• dep: libunwind8 [ia64]

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• dep: libx11-6 [alpha, hppa, m68k, sh4, x32]

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Download gromacs

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
alpha (unofficial port)	2020.5-4	146.5 kB	561.0 kB	[list of files]
amd64	2024.4-1+b1	62.7 kB	454.0 kB	[list of files]
arm64	2024.4-1+b1	59.9 kB	590.0 kB	[list of files]
hppa (unofficial port)	2021.4-2	148.0 kB	512.0 kB	[list of files]
ia64 (unofficial port)	2023.1-2	65.7 kB	552.0 kB	[list of files]
m68k (unofficial port)	2021.4-2	134.9 kB	554.0 kB	[list of files]
mips64el	2024.4-1+b1	61.6 kB	602.0 kB	[list of files]
ppc64 (unofficial port)	2024.4-1+b1	63.4 kB	590.0 kB	[list of files]
ppc64el	2024.4-1+b1	62.0 kB	590.0 kB	[list of files]
riscv64	2024.4-1+b1	62.4 kB	398.0 kB	[list of files]
s390x	2024.4-1+b1	57.8 kB	414.0 kB	[list of files]
sh4 (unofficial port)	2021.4-2	158.4 kB	484.0 kB	[list of files]
sparc64 (unofficial port)	2024.4-1+b1	58.9 kB	4,182.0 kB	[list of files]
x32 (unofficial port)	2021.4-2	140.4 kB	514.0 kB	[list of files]