软件包：gromacs-openmpi（2019.1-1）

[ 源代码： gromacs  ]

Molecular dynamics sim, binaries for OpenMPI parallelization

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 only the core simulation engine with parallel support using the OpenMPI interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.

标签: 软件开发: C 开发, 函数库, 领域: 生物学, field::chemistry, implemented-in::c, 用户接口: 命令行, 角色: role::devel-lib, role::program, 范围: 实用程序, 处理: 已打包的软件

其他与 gromacs-openmpi 有关的软件包

• dep: libc6 (>= 2.27)

  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: libfftw3-double3 (>= 3.3.5)

  Library for computing Fast Fourier Transforms - Double precision

• dep: libfftw3-single3 (>= 3.3.5)

  Library for computing Fast Fourier Transforms - Single precision

• dep: libgcc1 (>= 1:3.0)

  GCC 支持库

• dep: libgomp1 (>= 4.9)

  GCC OpenMP（GOMP）支持库

• dep: libhwloc5 (>= 1.11.12)

  Hierarchical view of the machine - shared libs

• dep: libopenmpi3

  high performance message passing library -- shared library

• dep: libstdc++6 (>= 5.2)

  GNU 标准 C++ 库，第3版

• dep: openmpi-bin (>= 1.2.3)

  high performance message passing library -- binaries

• dep: zlib1g (>= 1:1.2.0)

  压缩库 - 运行时

• rec: gromacs

  Molecular dynamics simulator, with building and analysis tools

• sug: gromacs-data

  GROMACS molecular dynamics sim, data and documentation

下载 gromacs-openmpi

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	8,052.7 kB	23,271.0 kB	[文件列表]