eLxr packages [ bianca ]
[ 原始碼： gromacs ]
套件：gromacs（2025.2-1）
gromacs 的相關連結
下載原始碼套件 gromacs：
- [gromacs_2025.2-1.debian.tar.xz]
- [gromacs_2025.2-1.dsc]
- [gromacs_2025.2.orig-regressiontests.tar.gz]
- [gromacs_2025.2.orig.tar.gz]
維護小組：
外部的資源：
- 主頁 [www.gromacs.org]
相似套件：
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.
其他與 gromacs 有關的套件
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- dep: gromacs-data (= 2025.2-1)
- GROMACS molecular dynamics sim, data and documentation
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- dep: libc6 (>= 2.34)
- GNU C Library: Shared libraries
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libgcc-s1 (>= 3.0)
- GCC support library
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- dep: libgromacs10 (>= 2025.2)
- GROMACS molecular dynamics sim, shared libraries
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- dep: libopenmpi40 (>= 5.0.7)
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
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- dep: sse4.2-support [amd64]
- CPU feature checking - require SSE4.2
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- rec: cpp
- GNU C preprocessor (cpp)
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- rec: mpi-default-bin
- Standard MPI runtime programs (metapackage)
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- sug: pymol
- Molecular Graphics System