Paket: gromacs (2024.1-1 ve diğerleri)

[ 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 (= 2020.5-4) [alpha]

  GROMACS molecular dynamics sim, data and documentation

  dep: gromacs-data (= 2021.4-2) [hppa, m68k, sh4, x32]

  dep: gromacs-data (= 2023.1-2) [ia64]

  dep: gromacs-data (= 2024.1-1) [alpha, hppa, ia64, m68k, sh4, x32 değil]

• dep: libc6 (>= 2.16) [x32]

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb

  dep: libc6 (>= 2.32) [sh4]

  dep: libc6 (>= 2.34) [alpha, hppa, ia64, m68k, sh4, x32 değil]

  dep: libc6 (>= 2.7) [hppa, m68k]

• dep: libc6.1 (>= 2.36) [ia64]

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket libc6.1-udeb

  dep: libc6.1 (>= 2.7) [alpha]

• dep: libgcc-s1 (>= 3.0) [hppa, ia64, m68k, sh4 değil]

  GCC support library

  dep: libgcc-s1 (>= 3.3.4) [sh4]

• dep: libgcc-s2 (>= 4.2.1) [m68k]

  GCC support library

• dep: libgcc-s4 (>= 4.1.1) [hppa]

  GCC support library

• dep: libgomp1 (>= 4.2.1) [sparc64]

  GCC OpenMP (GOMP) support library

• dep: libgromacs5 (>= 2020.5) [alpha]

  GROMACS molecular dynamics sim, shared libraries

• dep: libgromacs6 (>= 2021.4) [hppa, m68k, sh4, x32]

  GROMACS molecular dynamics sim, shared libraries

• dep: libgromacs8 (>= 2023.1) [ia64]

  GROMACS molecular dynamics sim, shared libraries

• dep: libgromacs9 (>= 2024.1) [alpha, hppa, ia64, m68k, sh4, x32 değil]

  GROMACS molecular dynamics sim, shared libraries

• dep: libopenmpi3 (>= 4.1.5) [ia64]

  high performance message passing library -- shared library

• dep: libopenmpi3t64 (>= 4.1.6) [alpha, hppa, ia64, m68k, sh4, x32 değil]

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 11) [alpha değil]

  GNU Standard C++ Library v3

  dep: libstdc++6 (>= 5.2) [alpha]

• dep: libunwind8 [ia64]

  library to determine the call-chain of a program - runtime

• dep: libx11-6 [alpha, hppa, m68k, sh4, x32]

  X11 client-side library

• dep: sse4.2-support [amd64, x32]

  CPU feature checking - require SSE4.2

• rec: cpp

  GNU C preprocessor (cpp)

• rec: mpi-default-bin [alpha, hppa, m68k, sh4, x32 değil]

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

gromacs indir

Tüm mevcut mimariler için indir

Mimari	Sürüm	Paket Boyutu	Kurulu Boyut	Dosyalar
alpha (resmi olmayan port)	2020.5-4	146,5 kB	561,0 kB	[dosya listesi]
amd64	2024.1-1+b1	59,5 kB	449,0 kB	[dosya listesi]
arm64	2024.1-1+b1	60,8 kB	593,0 kB	[dosya listesi]
hppa (resmi olmayan port)	2021.4-2	148,0 kB	512,0 kB	[dosya listesi]
ia64 (resmi olmayan port)	2023.1-2	65,7 kB	552,0 kB	[dosya listesi]
m68k (resmi olmayan port)	2021.4-2	134,9 kB	554,0 kB	[dosya listesi]
mips64el	2024.1-1+b1	59,8 kB	609,0 kB	[dosya listesi]
ppc64 (resmi olmayan port)	2024.1-1+b1	62,4 kB	593,0 kB	[dosya listesi]
ppc64el	2024.1-1+b1	61,9 kB	593,0 kB	[dosya listesi]
riscv64	2024.1-1+b1	65,3 kB	417,0 kB	[dosya listesi]
s390x	2024.1-1+b1	57,7 kB	417,0 kB	[dosya listesi]
sh4 (resmi olmayan port)	2021.4-2	158,4 kB	484,0 kB	[dosya listesi]
sparc64 (resmi olmayan port)	2024.1-1+b1	59,0 kB	4.189,0 kB	[dosya listesi]
x32 (resmi olmayan port)	2021.4-2	140,4 kB	514,0 kB	[dosya listesi]