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[ 原始碼： gromacs ]
套件： gromacs-openmpi (2020.1-1)
gromacs-openmpi 的相關超連結
Trisquel 的資源：
下載原始碼套件 gromacs：
維護者：
Original Maintainers:
- Debichem Team (郵件存檔)
- Nicholas Breen
外部的資源：
- 主頁 [www.gromacs.org]
相似套件：
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.
其他與 gromacs-openmpi 有關的套件
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- dep: libc6 (>= 2.29)
- GNU C Library: Shared libraries
同時作為一個虛擬套件由這些套件提供： libc6-udeb
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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: libgcc-s1 (>= 3.0)
- GCC support library
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: libhwloc15 (>= 2.1.0+dfsg)
- Hierarchical view of the machine - shared libs
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- dep: libopenmpi3 (>= 4.0.3)
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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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)
- compression library - runtime
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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