[AMBER-Developers] Fwd: Virtual Workshop (Dec 4): Streaming MD trajectories with MDAnalysis

From: Adrian Roitberg via AMBER-Developers <amber-developers.ambermd.org>
Date: Mon, 2 Dec 2024 11:51:03 -0500

This might interests some of you.

Adrian



####

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 ASU and the MDAnalysis team developed a
generalized streaming interface in combination with a corresponding
reader class for MDAnalysis. We currently implemented the 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:
https://www.mdanalysis.org/2024/11/03/ASU_streaming_workshop/#mdanalysis-streaming-online-developer-workshop-dec-4-2024
<https://urldefense.com/v3/__https://www.mdanalysis.org/2024/11/03/ASU_streaming_workshop/*mdanalysis-streaming-online-developer-workshop-dec-4-2024__;Iw!!IKRxdwAv5BmarQ!eOU4CBw8AmLh0J_gJ-aDXrfyVALccWzlfAO9PdsUEE3OZ6NlRqC0ys4aj6bxncVSz3Fjn8DQ_i2Jqf6xxScacQ$>


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! 

--
Oliver Beckstein, DPhil * oliver.beckstein.asu.edu
https://becksteinlab.physics.asu.edu/
pronouns: he/his/him
Professor of Physics
Director of Graduate Admissions, Physics
Arizona State University
Center for Biological Physics and Department of Physics
Tempe, AZ 85287-1504
USA
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Received on Mon Dec 02 2024 - 09:00:04 PST
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