[ 原始碼： gromacs ]
套件：gromacs（2025.0~beta-1）
gromacs 的相關連結
Debian 的資源：
下載原始碼套件 gromacs：
- [gromacs_2025.0~beta-1.dsc]
- [gromacs_2025.0~beta.orig-regressiontests.tar.gz]
- [gromacs_2025.0~beta.orig.tar.gz]
- [gromacs_2025.0~beta-1.debian.tar.xz]
維護小組：
外部的資源：
- 主頁 [www.gromacs.org]
相似套件：
試製（Experimental）套件
警告：這個套件來自於 experimental 發行版。這表示它很有可能表現出不穩定或者出現 bug ，甚至是導致資料損失。請務必在使用之前查閱 changelog 以及其他潛在的文件。
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 (= 2025.0~beta-1)
- GROMACS molecular dynamics sim, data and documentation
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- dep: libc6 (>= 2.34)
- 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: libgcc-s1 (>= 3.0)
- GCC 支援函式庫
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- dep: libgromacs10 (>= 2025.0~beta)
- GROMACS molecular dynamics sim, shared libraries
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- dep: libopenmpi40 (>= 5.0.6)
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
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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