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套件:gromacs-dev(4.5.5-2)

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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.

標籤: 軟體開發: C 開發, 函式庫, 領域: 生物學, field::chemistry, implemented-in::c, 角色: 開發用函式庫

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