Difference between revisions of "Software:gromacs"
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== Gromacs == | == Gromacs == | ||
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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, lipids and nucleic acids that have a lot of complicated bonded interactions, | 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, lipids and nucleic acids that have a lot of complicated bonded interactions, | ||
but since GROMACS is extremely fast at calculating the non-bonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers. | but since GROMACS is extremely fast at calculating the non-bonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers. | ||
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* '''Location''': /opt/gromacs | * '''Location''': /opt/gromacs | ||
* '''Related link''': [http://www.gromacs.org/ Gromacs Home Page] | * '''Related link''': [http://www.gromacs.org/ Gromacs Home Page] | ||
| + | * '''Documentation''': [http://manual.gromacs.org/documentation/ Documentation page for recent versions] | ||
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* '''Related Software''': | * '''Related Software''': | ||
Latest revision as of 15:15, 5 October 2016
Gromacs
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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, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the non-bonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.
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