|
gptkbp:instanceOf
|
molecular dynamics software
|
|
gptkbp:application
|
biomolecular simulation
lipid simulation
nucleic acid simulation
protein simulation
|
|
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.
|
|
gptkbp:developer
|
gptkb:GROMACS_development_team
|
|
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
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
GROMACS
|
|
gptkbp:latestReleaseVersion
|
2023.2
|
|
gptkbp:license
|
gptkb:GNU_Lesser_General_Public_License
|
|
gptkbp:operatingSystem
|
gptkb:Windows
gptkb:macOS
gptkb:Linux
|
|
gptkbp:programmingLanguage
|
gptkb:Fortran
gptkb:C++
C
|
|
gptkbp:supportsGPUAcceleration
|
yes
|
|
gptkbp:supportsParallelization
|
yes
|
|
gptkbp:usedBy
|
pharmaceutical industry
academic researchers
|
|
gptkbp:website
|
https://www.gromacs.org/
|
|
gptkbp:bfsParent
|
gptkb:Bioinformatics
|
|
gptkbp:bfsLayer
|
5
|