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From pkgsrc-wip, packaged originally by Peter Ibsen Hansen. 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.
10 lines
505 B
Text
10 lines
505 B
Text
GROMACS is a versatile package to perform molecular dynamics,
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i.e. simulate the Newtonian equations of motion for systems with
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hundreds to millions of particles.
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It is primarily designed for biochemical molecules like proteins,
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lipids and nucleic acids that have a lot of complicated bonded
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interactions, but since GROMACS is extremely fast at calculating
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the nonbonded interactions (that usually dominate simulations)
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many groups are also using it for research on non-biological
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systems, e.g. polymers.
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