The workshop is aimed at people willing to develop new tools for GROMACS, as well as at experienced users wanting to gain more in depth knowledge about the inner workings of the program.
Questions driving the workshop:
- How can a highly optimized, parallel simulation code provide a general enough infrastructure that allows the incorporation of new methods in a straightforward way?
- Can it do so without sacrificing (parallel) performance?
- Can the software be made less monolithic and blackbox-like, but more modular and extensible?
- Can providing an own method become less of a challenge for the average scientist who is not at the same time a GROMACS coding expert?