Pacote: gromacs (2022.5-2)

[ Fonte: 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.

Etiquetas: Campo: Biologia, Biologia estrutural, field::chemistry, implemented-in::c, Interface de usuário(a): Linha de comando, interface::graphical, interface::x11, Função: Programa, Kit de ferramentas de interface: Biblioteca X, Sistema de janelas X: Aplicativos

Outros pacotes relacionados a gromacs

• dep: gromacs-data (= 2022.5-2)

  GROMACS molecular dynamics sim, data and documentation

• dep: libc6 (>= 2.34)

  GNU Biblioteca C: Bibliotecas compartilhadas
  também um pacote virtual fornecido por libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  Biblioteca de suporte GCC

• dep: libgromacs7 (>= 2022.5)

  GROMACS molecular dynamics sim, shared libraries

• dep: libopenmpi3 (>= 4.1.4)

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 11)

  Biblioteca C++ padrão da GNU v3

• dep: libx11-6

  biblioteca para o cliente X11

• dep: sse4.2-support [amd64]

  CPU feature checking - require SSE4.2

• rec: cpp

  pré-processador C da GNU (GNU C preprocessor -- cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  sistema de gráficos de moléculas

Download de gromacs

Baixe para todas as arquiteturas disponíveis

Arquitetura	Tamanho do pacote	Tamanho instalado	Arquivos
amd64	137.2 kB	727.0 kB	[lista de arquivos]
arm64	130.8 kB	857.0 kB	[lista de arquivos]
mips64el	137.1 kB	885.0 kB	[lista de arquivos]
ppc64el	142.7 kB	857.0 kB	[lista de arquivos]
s390x	121.9 kB	697.0 kB	[lista de arquivos]