LAMMPS
LAMMPS is a popular molecular dynamics suite produced by Sandia National Laboratories. LAMMPS simulates interactions between atoms and molecules, and is an extensible system that can simulate pharmaceutical drug interactions, biological processes, nuclear fuels, and other interactions over very small timescales.
The following section will walk you through:
- Running an example LAMMPS workflow
- Saving results generated by the example LAMMPS workflow to S3
- Viewing saved results in S3