Dear LAMMPS Community,
If you ever thought about analyzing running MD simulations on-the-fly or tracking dynamical processes on timescales faster than feasible write-to-disk frequencies in multi-microsecond simulations, this virtual workshop might be of interest to you.
In a project sponsored by the National Science Foundation (OAC-2311372), the Beckstein & Heyden labs at Arizona State University in collaboration with the MDAnalysis team developed a generalized streaming interface in combination with a corresponding reader class for MDAnalysis. We currently implemented this streaming interface for GROMACS, NAMD and LAMMPS.
The focus group for this workshop is developers of either MD codes or analysis tools, who may consider this development for their current and future projects. A user workshop is planned for 2025.
You can find more information under the following link:
Registration for this virtual workshop is free and we hope to see you or any of your lab members on December 4th.
In the meantime, feel free to reach out if you have any questions!
Best regards,
Matthias ([email protected]) & Oliver ([email protected])