Пакет: gromacs (2022.5-2)

[ Източник: 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.

Етикети: 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

Други пакети, свързани с gromacs

• dep: gromacs-data (= 2022.5-2)

  GROMACS molecular dynamics sim, data and documentation

• dep: libc6 (>= 2.34)

  GNU C Library: Shared libraries
  също и виртуален пакет, предлаган от libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC support library

• 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)

  GNU Standard C++ Library v3

• dep: libx11-6

  X11 client-side library

• dep: sse4.2-support [amd64]

  CPU feature checking - require SSE4.2

• rec: cpp

  GNU C preprocessor (cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

Изтегляне на gromacs

Изтегляне за всички налични архитектури

Архитектура	Големина на пакета	Големина след инсталиране	Файлове
amd64	137,2 кБ	727,0 кБ	[списък на файловете]
arm64	130,8 кБ	857,0 кБ	[списък на файловете]
mips64el	137,1 кБ	885,0 кБ	[списък на файловете]
ppc64el	142,7 кБ	857,0 кБ	[списък на файловете]
s390x	121,9 кБ	697,0 кБ	[списък на файловете]