AMBERff at scale: Multimillion-atom simulations with AMBER force fields in NAMD
S. Antolinez, P. E. Jones, J. C. Phillips, J. A. Hadden-Perilla
The paper presents an implementation of AMBERff in NAMD enabling high-performance, massively-parallel simulations up to two billion atoms with accuracy comparable to AMBERff's native engine.
bioRxiv · Oct 10, 2023Biophysics