[ 原始碼： gromacs ]
套件：gromacs-mpich（2020.6-2）
gromacs-mpich 的相關連結
Debian 的資源：
下載原始碼套件 gromacs：
- [gromacs_2020.6-2.dsc]
- [gromacs_2020.6.orig-regressiontests.tar.gz]
- [gromacs_2020.6.orig.tar.gz]
- [gromacs_2020.6-2.debian.tar.xz]
維護小組：
外部的資源：
- 主頁 [www.gromacs.org]
相似套件：
Molecular dynamics sim, binaries for MPICH 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 MPICH (v3) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
其他與 gromacs-mpich 有關的套件
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- dep: libc6 (>= 2.29)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： 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 支援函式庫
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- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
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- dep: libhwloc15 (>= 2.4.1+dfsg)
- Hierarchical view of the machine - shared libs
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- dep: libmpich12 (>= 3.4.1-3)
- Shared libraries for MPICH
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- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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- dep: mpich
- Implementation of the MPI Message Passing Interface standard
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- dep: zlib1g (>= 1:1.2.0)
- 壓縮函式庫 - 跑程式時用(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