Hi,
Next quarterly planning meeting is 21st January, starting from 9:00 CET in hydrid format. We will have oral presentations (10 min max each) followed by discussion.
Aim: to provide an overview on the planned and future development effort on GROMACS, to build synergy between developer interests and contributions and promote planning and coordination.
We welcome everybody to contribute by filling the title/topic in the agenda. Great if you could reserve your spot for Monday 19th !
Agenda:
9:00-9:10 Welcome
9:10-10:00 GPU acceleration and parallelization
- Paul Bauer - GROMACS HIP improvements
- Topic/name (link to presentation) (remote/in person)
- Open Spot
- Open Spot
- Discussion
break
10:10-11:00 Other Features (file formats, simulation features, etc.)
- Vedran Miletic - Amber force field porting: current status, missing features, and future directions (remote)
- Electrostatic potential calculation for non-bonded and 1-4’s (useful for constant-pH & NN-pot), Berk Hess, in person
- Yang Zhang - Metadata embedding in H5md file format (in person)
- Petter Johansson - H5MD development (in person)
- Discussion
break 11:00-11:10
11:10-12:00 MD module and interface
- Dmitry Morozov - QMMM updates and generalization (remote)
- Update callback (for constant-pH,Plumed/colvars & flow fields), Berk Hess, in person
- Muhamamd Umair Sadiq - FMM interface improvements (link to presentation) (in person)
- Lukas Müllender - NNPot interface improvements (in person)
- Discussion
12:00-12:20 Community and documentation
- Discussion
12:20-13:00 Open Question and Final remarks
- Open questions from September Planning meeting
- Closing Remarks
PS: to be able to edit the current wiki post, you need to member of the forum and send a request to join the GROMACS developers group using the following link
Link to current meeting agenda January2026 · Wiki · GROMACS / GROMACS · GitLab
Link to previous meeting minutes