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[ 原始碼: gromacs  ]

套件:gromacs(2020.6-2)

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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.

標籤: 領域: 生物學, 結構生物學, field::chemistry, implemented-in::c, 使用者介面: 命令行, interface::graphical, interface::x11, 角色: 程式, Interface Toolkit: X library, X 視窗系統: 應用程式

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