Oliver Beckstein

@hmacdope @jaclark5 do you have any remaining questions or are you happy to move forward with merging the functionality? (I assume that @jpkrowe would also be happy if he could...

@hmacdope @yuxuanzhuang what needs to be done to get the PR merged from your end? (I had a cursory look at @IAlibay 's https://github.com/MDAnalysis/mdanalysis/pull/4923#pullrequestreview-2631065350 and it seems to have been...

There's a python-only client `imdclient` https://github.com/Becksteinlab/imdclient ([docs](https://imdclient.readthedocs.io/en/latest/)) and since release 2.10.0, MDAnalysis can be used with its [IMDReader](https://docs.mdanalysis.org/stable/documentation_pages/coordinates/IMD.html#module-MDAnalysis.coordinates.IMD) to read IMDv3 streams.

Hi @peastman , here's a bit more background – sorry for the brief comment earlier, that was just all I had time for. Perhaps @HeydenLabASU also wants to add more....

The whole **energy packet** was inherited from the original IMDv2 protocol. It is probably also the part of the protocol that we thought least about, except for doubling up on...

I left some brief comments at https://github.com/openmm/openmm/pull/5147#pullrequestreview-3536817110 Do you have a simple code snippet for how to run an OpenMM simulation with streaming enabled (i.e., useable with minimal OpenMM knowledge...

@rhowardstone thank you for the cythonized PR (and your discussion post with background https://github.com/MDAnalysis/mdanalysis/discussions/5104 ). Sorry that you haven't heard from anyone in a while. We really appreciate your clear...

Windows builds fail, see ege https://dev.azure.com/mdanalysis/mdanalysis/_build/results?buildId=8524&view=logs&j=bc985eae-65f0-56fb-9f4e-306b452dcfb3&t=99aa0f91-3087-50b5-0e7a-6e6967266174&l=2490

@Aryaman-Chaudhri these numbers are interesting. How do the scipy values depend on cutoff for a range of N when compared to capped_distance_array? Basically my question is under which conditions we...

## Summary Thank you for all the preliminary benchmarking. Based on your work and my own quick mini-bench (see below) I'm coming to the following conclusions: 1. For *orthorhombic* boxes,...