Package: gromacs (2025.0~beta-1)

[ Source: gromacs  ]

Experimental package

Warning: This package is from the experimental distribution. That means it is likely unstable or buggy, and it may even cause data loss. Please be sure to consult the changelog and other possible documentation before using it.

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

Other Packages Related to gromacs

• dep: gromacs-data (= 2025.0~beta-1)

  GROMACS molecular dynamics sim, data and documentation

• dep: libc6 (>= 2.34)

  GNU C 라이브러리: 공유 라이브러리
  also a virtual package provided by libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC 기능 지원 라이브러리

• dep: libgromacs10 (>= 2025.0~beta)

  GROMACS molecular dynamics sim, shared libraries

• dep: libopenmpi40 (>= 5.0.6)

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 11)

  GNU 표준 C++ 라이브러리 v3

• dep: sse4.2-support [amd64]

  CPU feature checking - require SSE4.2

• rec: cpp

  GNU C 전처리기 (cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

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Architecture	Package Size	Installed Size	Files
amd64	59.6 kB	461.0 kB	[list of files]
arm64	59.8 kB	589.0 kB	[list of files]
mips64el	60.3 kB	601.0 kB	[list of files]
ppc64 (unofficial port)	63.1 kB	589.0 kB	[list of files]
ppc64el	62.3 kB	589.0 kB	[list of files]
riscv64	62.6 kB	397.0 kB	[list of files]
s390x	57.6 kB	413.0 kB	[list of files]
sparc64 (unofficial port)	59.4 kB	4,181.0 kB	[list of files]