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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Massively-parallel ComputingEngineeringComputational BiologyComputer ArchitectureMolecular BiologyMulti-level ParallelismParallel ProgrammingComputational ChemistryMolecular SimulationMolecular MechanicParallel ComputingHigh Performance ComputingMolecular DynamicsBiophysicsMolecular Computing