OpenMM
High-performance molecular dynamics toolkit for simulating biomolecules. Supports energy minimization, NVT/NPT ensembles, and various force fields including AMBER and CHARMM.
| Version | 7.1.1 |
|---|---|
| Delivery | docker |
| Install | docker pull paramus/openmm:latest |
| Requirements | docker: True; ram: 4GB; disk: 1GB; gpu: Optional (CUDA/OpenCL for acceleration) |
Keywords
molecular-dynamicssimulationbiomoleculesMDprotein
Citation
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics