December 13, Developer bi-weekly videoconference

[cathrine]

Dear GROMACS developers,

Next week it’s time for our last biweekly developer meeting of the semester 2023-12-13T16:00:00Z! At the moment, we have three open slots, so if there’s anything you wish to discuss please comment below (or let me or Berk know)!

Berk/Magnus: general issues and news from Stockholm
Giovanni Bussi: PLUMED-GROMACS interface
Open slot
Open slot

Note that we have a new Zoom room since June:

Join our Zoom Meeting (magic link)

Meeting ID: 692 7708 9234
Password: gmxdevs

Join by SIP:
69277089234@zoom.nordu.net

See you in a week!

[giovanni.bussi]

Hi! I have been suggested by Alessandra Villa to propose this as a topic:

Possible inclusion of PLUMED interface

Dear GROMACS developers, we (PLUMED developers) noticed that GROMACS now makes it possible to easily add plugins modifying forces. We would like to investigate if it makes sense for us to implement an interface for PLUMED in the spirit of the one introduced for the Colvars package in this commit: Before starting we would like to have an answer to the following questions: Is it possible (or planned) to pass an intra-replica MPI communicator to the plugin so that PLUMED would be able to use i…

If possible, I would give a 5-10 minutes presentation about possible developments on the PLUMED-GROMACS interface.

[hess]

Yes, we’d be very interesting in hearing what the plans for the interface are.

[cathrine]

Just a reminder that the last GROMACS developer meeting of the year will take place at 5 pm today (Stockholm time)! We still have two open slots so please let us know if there’s anything you wish to discuss!

Looking forward to seeing you this afternoon!