Amber is the collective name for a suite of programs that allow users to carry out molecular dynamics simulations, particularly on biomolecules. None of the individual programs carries this name, but the various parts work reasonably well together, and provide a framework for many common calculations, for example QM/MM static and MD simulations employing different types of force field (like ff99, ff02 or AMOEBA) and quantum chemical methods (like MNDO, AM1, PM3 or SCC-DFTB), normal mode analysis and MD postprocessing.
- Version: 11
- Licence: Registration required
- Access and Usage: JUROPA/HPC-FF
Contact: Dr. Sandipan Mohanty