Paket: gromacs (2022.5-2)

[ Kaynak: 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.

Etiketler: Alan: Biyoloji, Yapısal Biyoloji, field::chemistry, implemented-in::c, Kullanıcı Arayüzü: Komut Satırı, interface::graphical, interface::x11, Rol: Program, Arayüz Araç Takımı: X kitaplığı, X Pencere Sistemi: Uygulama

gromacs ile İlgili Diğer Paketler

• dep: gromacs-data (= 2022.5-2)

  GROMACS molecular dynamics sim, data and documentation

• dep: libc6 (>= 2.34)

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket 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

• rec: cpp

  GNU C preprocessor (cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

gromacs indir

Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
arm64	130,8 kB	857,0 kB	[dosya listesi]