软件包：gromacs（2025.0~beta-1）

[ 源代码： gromacs  ]

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警告：这个软件包来自于 experimental 发行版。这表示它很有可能表现出不稳定或者出现 bug ，甚至是导致资料损失。请务必在使用之前查阅 changelog 以及其他潜在的文档。

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.

标签: 领域: 生物学, 结构生物学, field::chemistry, implemented-in::c, 用户接口: 命令行, interface::graphical, interface::x11, 角色: 程序, 界面工具箱: X 库, X 窗口系统: 应用程序

其他与 gromacs 有关的软件包

• dep: gromacs-data (= 2025.0~beta-1)

  GROMACS molecular dynamics sim, data and documentation

• dep: libc6 (>= 2.34)

  GNU C 语言运行库：共享库
  同时作为一个虚包由这些包填实： libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC 支持库

• dep: libgromacs10 (>= 2025.0~beta)

  GROMACS molecular dynamics sim, shared libraries

• dep: libopenmpi40 (>= 5.0.6)

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 11)

  GNU 标准 C++ 库，第3版

• dep: sse4.2-support [amd64]

  CPU feature checking - require SSE4.2

• rec: cpp

  GNU C 预处理器(cpp)

• rec: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: pymol

  Molecular Graphics System

下载 gromacs

下载可用于所有硬件架构的

硬件架构	软件包大小	安装后大小	文件
amd64	59.6 kB	461.0 kB	[文件列表]
arm64	59.8 kB	589.0 kB	[文件列表]
mips64el	60.3 kB	601.0 kB	[文件列表]
ppc64 （非官方移植版）	63.1 kB	589.0 kB	[文件列表]
ppc64el	62.3 kB	589.0 kB	[文件列表]
riscv64	62.6 kB	397.0 kB	[文件列表]
s390x	57.6 kB	413.0 kB	[文件列表]
sparc64 （非官方移植版）	59.4 kB	4,181.0 kB	[文件列表]