Next GROMACS developer meeting will be Wednesday, November 13, 2024 4:00 PM on zoom.
We usually start with a brief update from Berk and Magnus followed by questions and discussion points by everybody. If there are any specific topics you wish to discuss, just answer to this post. So, everybody else interested can join and contribute to the discussion. :)
A kind remind. Today biweekly GROMACS developer meeting at 17:00 CET on zoom. Among other topics: today Sowon Kim and Juan De Gracia will discuss the implementations of Interpolated Mechanics, they worked on.
tnavarrofebre (name?) asked for a way to provide multiple begin (-b) and end (-e) times to analysis tools. After discussing the issues, it was decided that it would probably be best to provide a list of frames, and also to be able to provide a weighting factor per frame. It might be possible to store a weighting factor as a GROMACS data value in H5MD.
Vedran would like the physical validation tests to run automatically regularly. He had problems with one (or a few) tests failing after a previous commit. The actual issue was fixed in !4768.