Molecular DynamicsCataloged
GROMACS
High-performance molecular dynamics suite optimized for biomolecules with extensive CPU and GPU support.
- License
- LGPL v2.1
- Access
- Open source
- Install
- Source · Binary · Package · Spack
- Verification
- Cataloged ·
Key features
- protein and biomolecule simulations
- GPU and CPU backends
- parallel MD with MPI
- trajectory analysis tools
Capabilities
- Molecular simulation
- Parallel computing
- GPU acceleration