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gptkbp:instanceOf
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gptkb:molecular_dynamics_software
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gptkbp:application
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biomolecular simulation
lipid simulation
nucleic acid simulation
protein simulation
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gptkbp:citation
|
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
|
gptkb:GROMACS_development_team
|
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gptkbp:feature
|
gptkb:graphical_user_interface
open source
molecular dynamics
energy minimization
parallel computing support
free energy calculations
trajectory analysis
extensive force fields
|
|
gptkbp:firstReleased
|
1991
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|
gptkbp:latestReleaseVersion
|
2023.2
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gptkbp:license
|
gptkb:GNU_Lesser_General_Public_License
|
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gptkbp:operatingSystem
|
gptkb:Windows
gptkb:macOS
gptkb:Linux
|
|
gptkbp:programmingLanguage
|
gptkb:Fortran
gptkb:C++
C
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|
gptkbp:supportsGPUAcceleration
|
yes
|
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gptkbp:supportsParallelization
|
yes
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gptkbp:usedBy
|
pharmaceutical industry
academic researchers
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gptkbp:website
|
https://www.gromacs.org/
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gptkbp:bfsParent
|
gptkb:Particle_Mesh_Ewald
gptkb:ReaxFF_force_field
gptkb:Smooth_Particle_Mesh_Ewald
gptkb:Bioinformatics
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gptkbp:bfsLayer
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6
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|
https://www.w3.org/2000/01/rdf-schema#label
|
GROMACS
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