[ 源代码： gromacs ]
软件包：gromacs-openmpi（2019.1-1）
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.
其他与 gromacs-openmpi 有关的软件包
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- dep: libc6 (>= 2.27) [amd64, arm64]
- 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: libc6 (>= 2.28) [armhf, i386]
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- dep: libfftw3-double3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Double precision
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- dep: libfftw3-single3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Single precision
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- dep: libgcc1 (>= 1:3.0) [amd64, arm64]
- GCC 支持库
- dep: libgcc1 (>= 1:3.5) [armhf]
- dep: libgcc1 (>= 1:7) [i386]
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP（GOMP）支持库
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- dep: libhwloc5 (>= 1.11.12)
- Hierarchical view of the machine - shared libs
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- dep: libopenmpi3
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 5.2) [amd64, i386]
- GNU 标准 C++ 库，第3版
- dep: libstdc++6 (>= 6) [arm64, armhf]
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- dep: openmpi-bin (>= 1.2.3)
- high performance message passing library -- binaries
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- dep: zlib1g (>= 1:1.2.0)
- 压缩库 - 运行时
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- rec: gromacs
- Molecular dynamics simulator, with building and analysis tools
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- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation