AmberTools
Force field parameterization and MD preparation suite. Includes antechamber (GAFF/GAFF2), tleap (system building), cpptraj (trajectory analysis), parmchk2 (parameter check), and reduce (hydrogen addition).
| Version | 25 |
|---|---|
| Creator | Amber Development Team |
| Delivery | docker |
| Install | docker pull paramus/ambertools:25 |
| Requirements | docker: True; ram: 4GB; disk: 3GB |
Tools it provides
This app exposes the following deterministic tools to the platform.
- antechamber
- tleap
- cpptraj
- parmchk2
- reduce
- parmed
- sqm
Explore the full deterministic layer in the tool browser.
Keywords
force-fieldparameterizationgaffgaff2molecular-dynamicsamberantechambertleap
Citation
AmberTools