December 13, Developer bi-weekly videoconference

[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.