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gptkbp:instanceOf
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molecular dynamics software
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gptkbp:application
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molecular dynamics simulation
biomolecular simulation
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gptkbp:citation
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gptkb:Abraham_MJ,_Murtola_T,_Schulz_R,_Páll_S,_Smith_JC,_Hess_B,_Lindahl_E._GROMACS:_High_performance_molecular_simulations_through_multi-level_parallelism_from_laptops_to_supercomputers._SoftwareX._2015;1-2:19-25.
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gptkbp:developer
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gptkb:GROMACS_development_team
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gptkbp:firstReleased
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1991
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|
https://www.w3.org/2000/01/rdf-schema#label
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GROMACS software
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gptkbp:latestReleaseVersion
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2023.2
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gptkbp:license
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gptkb:GNU_General_Public_License
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gptkbp:operatingSystem
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gptkb:Windows
gptkb:macOS
gptkb:Linux
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gptkbp:programmingLanguage
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gptkb:C++
C
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gptkbp:repository
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https://gitlab.com/gromacs/gromacs
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gptkbp:supports
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parallel computing
GPU acceleration
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gptkbp:usedFor
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lipid simulation
nucleic acid simulation
protein simulation
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gptkbp:website
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https://www.gromacs.org/
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gptkbp:bfsParent
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gptkb:Generalized_Born_model
gptkb:Abraham_MJ,_Murtola_T,_Schulz_R,_Páll_S,_Smith_JC,_Hess_B,_Lindahl_E._GROMACS:_High_performance_molecular_simulations_through_multi-level_parallelism_from_laptops_to_supercomputers._SoftwareX._2015;1-2:19-25.
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gptkbp:bfsLayer
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7
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