Paket: gromacs (2024.3-2)

[ Källkod: 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.

Märken: Field: Biologi, 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

Andra paket besläktade med gromacs

• dep: gromacs-data (= 2024.3-2)

  GROMACS molecular dynamics sim, data and documentation

• dep: libc6 (>= 2.34)

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC stödbibliotek

• 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 standardbibliotek v3 för C++

• rec: cpp

  GNU C preprocessor (cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

Hämta gromacs

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Paketstorlek	Installerad storlek	Filer
arm64	60,2 kbyte	589,0 kbyte	[filförteckning]