Package: gromacs (2024.3-2) [debports]

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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.

Other Packages Related to gromacs

• dep: gromacs-data (= 2024.3-2)

  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: libgromacs9 (>= 2024.3)

  GROMACS molecular dynamics sim, shared libraries

• dep: libopenmpi3t64 (>= 4.1.6)

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 11)

  GNU 표준 C++ 라이브러리 v3

• rec: cpp

  GNU C 전처리기 (cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

Download gromacs

Download for all available architectures

Architecture	Package Size	Installed Size	Files
ppc64 (unofficial port)	62.5 kB	589.0 kB	[list of files]