Molecular DynamicsCataloged
AMBER
Biomolecular simulation suite with extensive force fields, GPU acceleration, and thermodynamic integration capabilities.
- License
- Commercial / LGPL (AmberTools)
- Access
- License required
- Install
- Binary · Package
- Verification
- Cataloged ·
Key features
- extensive force fields (ff19SB, GAFF)
- GPU (NVIDIA/AMD) and MPI support
- replica exchange MD
- thermodynamic integration capability
Capabilities
- Heat transfer
- Molecular simulation
- Parallel computing
- GPU acceleration