パッケージ: libgromacs-dev (2024.1-1 など) [debports]
libgromacs-dev に関するリンク
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外部の資源:
- ホームページ [www.gromacs.org]
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GROMACS molecular dynamics sim, development kit
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 header files and static libraries for development purposes, plus sample Makefiles. Development components for MPI-enabled GROMACS builds also require their respective packages.
その他の libgromacs-dev 関連パッケージ
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- dep: libfftw3-dev
- Library for computing Fast Fourier Transforms - development
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- dep: libgromacs9 (= 2024.1-1+b1)
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